REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide RESIDUE Y15 25 82 1 82 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 81 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 58 59 60 61 63 23 CHI18 0 0 0.0000 59 64 65 66 68 24 CHI19 0 0 0.0000 53 55 76 77 80 25 CHI20 0 0 0.0000 53 55 81 82 82 1 C01 C_BYL 0 0.0000 4.3500 -0.3340 0.3950 2 3 21 0 0 2 O06 O_BYL 0 0.0000 4.4170 0.4120 1.3530 1 0 0 0 0 3 N08 N_AMO 0 0.0000 5.4130 -1.0870 0.0510 1 4 12 0 0 4 C02 C_ALI 0 0.0000 5.3220 -2.0770 -1.0340 3 5 9 10 0 5 C03 C_ALI 0 0.0000 5.8610 -3.4150 -0.5160 4 6 7 14 0 6 H031 H_ALI 0 0.0000 5.1880 -3.8080 0.2470 5 0 0 0 8 7 H032 H_ALI 0 0.0000 5.9300 -4.1240 -1.3410 5 0 0 0 8 8 Q1 PSEUD 0 0.0000 5.5590 -3.9660 -0.5470 0 0 0 0 0 9 H021 H_ALI 0 0.0000 5.9180 -1.7450 -1.8840 4 0 0 0 11 10 H022 H_ALI 0 0.0000 4.2820 -2.1930 -1.3380 4 0 0 0 11 11 Q2 PSEUD 0 0.0000 5.1000 -1.9690 -1.6110 0 0 0 0 0 12 C05 C_ALI 0 0.0000 6.7000 -0.9450 0.7510 3 13 18 19 0 13 C04 C_ALI 0 0.0000 7.1730 -2.3390 1.1820 12 14 15 16 0 14 O07 O_EST 0 0.0000 7.1580 -3.2130 0.0500 5 13 0 0 0 15 H041 H_ALI 0 0.0000 8.1860 -2.2740 1.5790 13 0 0 0 17 16 H042 H_ALI 0 0.0000 6.5050 -2.7280 1.9510 13 0 0 0 17 17 Q3 PSEUD 0 0.0000 7.3455 -2.5010 1.7650 0 0 0 0 0 18 H051 H_ALI 0 0.0000 6.5730 -0.3120 1.6290 12 0 0 0 20 19 H052 H_ALI 0 0.0000 7.4350 -0.4990 0.0800 12 0 0 0 20 20 Q4 PSEUD 0 0.0000 7.0040 -0.4055 0.8545 0 0 0 0 0 21 N09 N_AMI 0 0.0000 3.2100 -0.4120 -0.3200 1 22 23 0 0 22 HN09 H_AMI 0 0.0000 3.1310 -1.0590 -1.0390 21 0 0 0 0 23 C10 C_ALI 0 0.0000 2.0890 0.4800 -0.0120 21 24 50 51 0 24 C11 C_ALI 0 0.0000 2.2300 1.7730 -0.8180 23 25 47 48 0 25 C12 C_ALI 0 0.0000 1.1290 2.7530 -0.4060 24 26 34 46 0 26 C13 C_ALI 0 0.0000 1.3400 3.1740 1.0500 25 27 31 32 0 27 C14 C_ALI 0 0.0000 0.2400 4.1540 1.4620 26 28 29 36 0 28 H141 H_ALI 0 0.0000 -0.7320 3.6720 1.3600 27 0 0 0 30 29 H142 H_ALI 0 0.0000 0.3900 4.4540 2.4990 27 0 0 0 30 30 Q5 PSEUD 0 0.0000 -0.1710 4.0630 1.9295 0 0 0 0 0 31 H131 H_ALI 0 0.0000 1.3020 2.2940 1.6920 26 0 0 0 33 32 H132 H_ALI 0 0.0000 2.3130 3.6560 1.1510 26 0 0 0 33 33 Q6 PSEUD 0 0.0000 1.8075 2.9750 1.4215 0 0 0 0 0 34 C17 C_ALI 0 0.0000 1.1830 3.9880 -1.3070 25 35 43 44 0 35 C16 C_ALI 0 0.0000 0.0820 4.9680 -0.8950 34 36 40 41 0 36 C15 C_ALI 0 0.0000 0.2930 5.3890 0.5600 27 35 37 38 0 37 H151 H_ALI 0 0.0000 -0.4910 6.0870 0.8540 36 0 0 0 39 38 H152 H_ALI 0 0.0000 1.2660 5.8710 0.6610 36 0 0 0 39 39 Q7 PSEUD 0 0.0000 0.3875 5.9790 0.7575 0 0 0 0 0 40 H161 H_ALI 0 0.0000 -0.8900 4.4860 -0.9970 35 0 0 0 42 41 H162 H_ALI 0 0.0000 0.1200 5.8480 -1.5380 35 0 0 0 42 42 Q8 PSEUD 0 0.0000 -0.3850 5.1670 -1.2675 0 0 0 0 0 43 H171 H_ALI 0 0.0000 2.1550 4.4700 -1.2060 34 0 0 0 45 44 H172 H_ALI 0 0.0000 1.0320 3.6870 -2.3440 34 0 0 0 45 45 Q9 PSEUD 0 0.0000 1.5935 4.0785 -1.7750 0 0 0 0 0 46 H12 H_ALI 0 0.0000 0.1570 2.2710 -0.5070 25 0 0 0 0 47 H111 H_ALI 0 0.0000 3.2050 2.2190 -0.6230 24 0 0 0 49 48 H112 H_ALI 0 0.0000 2.1380 1.5490 -1.8810 24 0 0 0 49 49 Q10 PSEUD 0 0.0000 2.6715 1.8840 -1.2520 0 0 0 0 0 50 H10 H_ALI 0 0.0000 2.0930 0.7140 1.0530 23 0 0 0 0 51 C18 C_BYL 0 0.0000 0.7930 -0.1990 -0.3720 23 52 53 0 0 52 O19 O_BYL 0 0.0000 0.7950 -1.1470 -1.1280 51 0 0 0 0 53 N22 N_AMI 0 0.0000 -0.3680 0.2480 0.1470 51 54 55 0 0 54 HN22 H_AMI 0 0.0000 -0.3780 1.0450 0.6990 53 0 0 0 0 55 C33 C_ALI 0 0.0000 -1.6150 -0.4720 -0.1230 53 56 76 81 0 56 C20 C_ALI 0 0.0000 -2.7760 0.2380 0.5770 55 57 73 74 0 57 O23 O_EST 0 0.0000 -3.9920 -0.4640 0.3140 56 58 0 0 0 58 C24 C_ALI 0 0.0000 -5.1440 0.1200 0.9260 57 59 70 71 0 59 C25 C_ARO 0 0.0000 -6.3630 -0.6970 0.5830 58 60 64 0 0 60 C26 C_ARO 0 0.0000 -6.7460 -1.7440 1.4010 59 61 63 0 0 61 C27 C_ARO 0 0.0000 -7.8640 -2.4930 1.0870 60 62 66 0 0 62 H27 H_ALI 0 0.0000 -8.1620 -3.3120 1.7250 61 0 0 0 0 63 H26 H_ALI 0 0.0000 -6.1700 -1.9770 2.2850 60 0 0 0 0 64 C30 C_ARO 0 0.0000 -7.1030 -0.3960 -0.5450 59 65 69 0 0 65 C29 C_ARO 0 0.0000 -8.2180 -1.1490 -0.8620 64 66 68 0 0 66 C28 C_ARO 0 0.0000 -8.6000 -2.1960 -0.0450 61 65 67 0 0 67 H28 H_ALI 0 0.0000 -9.4730 -2.7820 -0.2900 66 0 0 0 0 68 H29 H_ALI 0 0.0000 -8.7920 -0.9160 -1.7470 65 0 0 0 0 69 H30 H_ALI 0 0.0000 -6.8060 0.4250 -1.1810 64 0 0 0 0 70 H241 H_ALI 0 0.0000 -5.0110 0.1380 2.0070 58 0 0 0 72 71 H242 H_ALI 0 0.0000 -5.2740 1.1380 0.5580 58 0 0 0 72 72 Q11 PSEUD 0 0.0000 -5.1425 0.6380 1.2825 0 0 0 0 0 73 H201 H_ALI 0 0.0000 -2.8560 1.2580 0.2030 56 0 0 0 75 74 H202 H_ALI 0 0.0000 -2.5930 0.2590 1.6520 56 0 0 0 75 75 Q12 PSEUD 0 0.0000 -2.7245 0.7585 0.9275 0 0 0 0 0 76 C21 C_ALI 0 0.0000 -1.5020 -1.9040 0.4030 55 77 78 79 0 77 H211 H_ALI 0 0.0000 -1.3200 -1.8840 1.4770 76 0 0 0 80 78 H212 H_ALI 0 0.0000 -2.4300 -2.4400 0.2020 76 0 0 0 80 79 H213 H_ALI 0 0.0000 -0.6750 -2.4100 -0.0960 76 0 0 0 80 80 Q13 PSEUD 0 0.0000 -1.4750 -2.2447 0.5277 0 0 0 0 0 81 C31 C_XXX 0 0.0000 -1.8620 -0.5000 -1.5740 55 82 0 0 0 82 N32 N_AMO 0 0.0000 -2.0520 -0.5220 -2.6940 81 0 0 0 0