REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide RESIDUE Y14 26 85 1 85 1 CHI1 0 0 0.0000 2 1 3 4 20 2 CHI2 0 0 0.0000 1 3 4 5 11 3 CHI3 0 0 0.0000 3 4 5 6 8 4 CHI4 0 0 0.0000 1 3 12 13 20 5 CHI5 0 0 0.0000 3 12 13 14 17 6 PHI1 0 0 0.0000 2 1 21 23 0 7 PHI2 0 0 0.0000 1 21 23 51 0 8 CHI6 0 0 0.0000 21 23 24 25 49 9 CHI7 0 0 0.0000 23 24 25 26 46 10 CHI8 0 0 0.0000 24 25 26 27 33 11 CHI9 0 0 0.0000 25 26 27 28 30 12 CHI10 0 0 0.0000 24 25 34 35 45 13 CHI11 0 0 0.0000 25 34 35 36 42 14 CHI12 0 0 0.0000 34 35 36 37 39 15 PHI3 0 0 0.0000 21 23 51 53 0 16 PHI4 0 0 0.0000 23 51 53 55 0 17 PHI5 0 0 0.0000 51 53 55 84 0 18 CHI13 0 0 0.0000 53 55 56 57 75 19 CHI14 0 0 0.0000 55 56 57 58 72 20 CHI15 0 0 0.0000 56 57 58 59 72 21 CHI16 0 0 0.0000 57 58 59 60 69 22 CHI17 0 0 0.0000 59 60 61 62 68 23 CHI18 0 0 0.0000 61 62 63 64 66 24 CHI19 0 0 0.0000 53 55 76 77 83 25 CHI20 0 0 0.0000 55 76 77 78 80 26 CHI21 0 0 0.0000 53 55 84 85 85 1 C01 C_BYL 0 0.0000 3.7370 -0.6560 0.6970 2 3 21 0 0 2 O06 O_BYL 0 0.0000 3.4570 -0.3750 1.8460 1 0 0 0 0 3 N08 N_AMO 0 0.0000 4.8380 -1.3860 0.4310 1 4 12 0 0 4 C02 C_ALI 0 0.0000 5.1360 -1.8350 -0.9390 3 5 9 10 0 5 C03 C_ALI 0 0.0000 5.4200 -3.3410 -0.9040 4 6 7 14 0 6 H031 H_ALI 0 0.0000 4.5050 -3.8780 -0.6510 5 0 0 0 8 7 H032 H_ALI 0 0.0000 5.7760 -3.6670 -1.8810 5 0 0 0 8 8 Q1 PSEUD 0 0.0000 5.1405 -3.7725 -1.2660 0 0 0 0 0 9 H021 H_ALI 0 0.0000 6.0100 -1.3050 -1.3160 4 0 0 0 11 10 H022 H_ALI 0 0.0000 4.2800 -1.6380 -1.5840 4 0 0 0 11 11 Q2 PSEUD 0 0.0000 5.1450 -1.4715 -1.4500 0 0 0 0 0 12 C05 C_ALI 0 0.0000 5.7770 -1.7580 1.5000 3 13 18 19 0 13 C04 C_ALI 0 0.0000 6.0300 -3.2700 1.4170 12 14 15 16 0 14 O07 O_EST 0 0.0000 6.4190 -3.6090 0.0830 5 13 0 0 0 15 H041 H_ALI 0 0.0000 6.8260 -3.5440 2.1090 13 0 0 0 17 16 H042 H_ALI 0 0.0000 5.1180 -3.8060 1.6780 13 0 0 0 17 17 Q3 PSEUD 0 0.0000 5.9720 -3.6750 1.8935 0 0 0 0 0 18 H051 H_ALI 0 0.0000 5.3450 -1.5120 2.4710 12 0 0 0 20 19 H052 H_ALI 0 0.0000 6.7150 -1.2210 1.3680 12 0 0 0 20 20 Q4 PSEUD 0 0.0000 6.0300 -1.3665 1.9195 0 0 0 0 0 21 N09 N_AMI 0 0.0000 2.9430 -0.2410 -0.3100 1 22 23 0 0 22 HN09 H_AMI 0 0.0000 3.1260 -0.5240 -1.2200 21 0 0 0 0 23 C10 C_ALI 0 0.0000 1.8050 0.6390 -0.0320 21 24 50 51 0 24 C11 C_ALI 0 0.0000 2.2610 2.0980 -0.0920 23 25 47 48 0 25 C12 C_ALI 0 0.0000 1.1070 3.0110 0.3260 24 26 34 46 0 26 C13 C_ALI 0 0.0000 0.7870 2.7840 1.8050 25 27 31 32 0 27 C14 C_ALI 0 0.0000 -0.3680 3.6970 2.2230 26 28 29 36 0 28 H141 H_ALI 0 0.0000 -1.2470 3.4680 1.6220 27 0 0 0 30 29 H142 H_ALI 0 0.0000 -0.5950 3.5350 3.2770 27 0 0 0 30 30 Q5 PSEUD 0 0.0000 -0.9210 3.5015 2.4495 0 0 0 0 0 31 H131 H_ALI 0 0.0000 0.5020 1.7430 1.9600 26 0 0 0 33 32 H132 H_ALI 0 0.0000 1.6670 3.0130 2.4060 26 0 0 0 33 33 Q6 PSEUD 0 0.0000 1.0845 2.3780 2.1830 0 0 0 0 0 34 C17 C_ALI 0 0.0000 1.5070 4.4710 0.1090 25 35 43 44 0 35 C16 C_ALI 0 0.0000 0.3530 5.3840 0.5270 34 36 40 41 0 36 C15 C_ALI 0 0.0000 0.0330 5.1570 2.0060 27 35 37 38 0 37 H151 H_ALI 0 0.0000 -0.7900 5.8080 2.3030 36 0 0 0 39 38 H152 H_ALI 0 0.0000 0.9130 5.3860 2.6070 36 0 0 0 39 39 Q7 PSEUD 0 0.0000 0.0615 5.5970 2.4550 0 0 0 0 0 40 H161 H_ALI 0 0.0000 -0.5270 5.1550 -0.0740 35 0 0 0 42 41 H162 H_ALI 0 0.0000 0.6380 6.4250 0.3720 35 0 0 0 42 42 Q8 PSEUD 0 0.0000 0.0555 5.7900 0.1490 0 0 0 0 0 43 H171 H_ALI 0 0.0000 2.3870 4.7000 0.7100 34 0 0 0 45 44 H172 H_ALI 0 0.0000 1.7350 4.6330 -0.9450 34 0 0 0 45 45 Q9 PSEUD 0 0.0000 2.0610 4.6665 -0.1175 0 0 0 0 0 46 H12 H_ALI 0 0.0000 0.2270 2.7820 -0.2750 25 0 0 0 0 47 H111 H_ALI 0 0.0000 3.1030 2.2430 0.5860 24 0 0 0 49 48 H112 H_ALI 0 0.0000 2.5670 2.3410 -1.1090 24 0 0 0 49 49 Q10 PSEUD 0 0.0000 2.8350 2.2920 -0.2615 0 0 0 0 0 50 H10 H_ALI 0 0.0000 1.4120 0.4210 0.9610 23 0 0 0 0 51 C18 C_BYL 0 0.0000 0.7280 0.4070 -1.0600 23 52 53 0 0 52 O19 O_BYL 0 0.0000 1.0000 -0.1300 -2.1130 51 0 0 0 0 53 N23 N_AMI 0 0.0000 -0.5380 0.7950 -0.8090 51 54 55 0 0 54 HN23 H_AMI 0 0.0000 -0.7430 1.2860 0.0020 53 0 0 0 0 55 C34 C_ALI 0 0.0000 -1.6050 0.4770 -1.7610 53 56 76 84 0 56 C20 C_ALI 0 0.0000 -2.9680 0.9600 -1.2210 55 57 73 74 0 57 N24 N_AMO 0 0.0000 -3.5490 -0.2330 -0.5530 56 58 77 0 0 58 C25 C_ALI 0 0.0000 -5.0070 -0.1060 -0.4240 57 59 70 71 0 59 C26 C_ARO 0 0.0000 -5.5310 -1.2030 0.4660 58 60 64 0 0 60 C31 C_ARO 0 0.0000 -5.9220 -2.4100 -0.0820 59 61 69 0 0 61 C30 C_ARO 0 0.0000 -6.3970 -3.4190 0.7360 60 62 68 0 0 62 C29 C_ARO 0 0.0000 -6.4910 -3.2160 2.1000 61 63 67 0 0 63 C28 C_ARO 0 0.0000 -6.1050 -2.0070 2.6470 62 64 66 0 0 64 C27 C_ARO 0 0.0000 -5.6250 -1.0000 1.8300 59 63 65 0 0 65 H27 H_ALI 0 0.0000 -5.3230 -0.0550 2.2580 64 0 0 0 0 66 H28 H_ALI 0 0.0000 -6.1780 -1.8480 3.7130 63 0 0 0 0 67 H29 H_ALI 0 0.0000 -6.8660 -4.0030 2.7380 62 0 0 0 0 68 H30 H_ALI 0 0.0000 -6.6980 -4.3640 0.3080 61 0 0 0 0 69 H31 H_ALI 0 0.0000 -5.8520 -2.5670 -1.1480 60 0 0 0 0 70 H251 H_ALI 0 0.0000 -5.2510 0.8630 0.0120 58 0 0 0 72 71 H252 H_ALI 0 0.0000 -5.4670 -0.1870 -1.4090 58 0 0 0 72 72 Q11 PSEUD 0 0.0000 -5.3590 0.3380 -0.6985 0 0 0 0 0 73 H201 H_ALI 0 0.0000 -3.6080 1.2860 -2.0410 56 0 0 0 75 74 H202 H_ALI 0 0.0000 -2.8290 1.7680 -0.5030 56 0 0 0 75 75 Q12 PSEUD 0 0.0000 -3.2185 1.5270 -1.2720 0 0 0 0 0 76 C21 C_ALI 0 0.0000 -1.7510 -1.0520 -1.9100 55 77 81 82 0 77 C22 C_ALI 0 0.0000 -3.1910 -1.3640 -1.4470 57 76 78 79 0 78 H221 H_ALI 0 0.0000 -3.8650 -1.4010 -2.3020 77 0 0 0 80 79 H222 H_ALI 0 0.0000 -3.2180 -2.3060 -0.8990 77 0 0 0 80 80 Q13 PSEUD 0 0.0000 -3.5415 -1.8535 -1.6005 0 0 0 0 0 81 H211 H_ALI 0 0.0000 -1.0300 -1.5650 -1.2740 76 0 0 0 83 82 H212 H_ALI 0 0.0000 -1.6160 -1.3460 -2.9510 76 0 0 0 83 83 Q14 PSEUD 0 0.0000 -1.3230 -1.4555 -2.1125 0 0 0 0 0 84 C32 C_XXX 0 0.0000 -1.3230 1.0930 -3.0680 55 85 0 0 0 85 N33 N_AMO 0 0.0000 -1.1050 1.5680 -4.0770 84 0 0 0 0