#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dai h MET 980 N 0.00 0.81 -0.80 4.33 -0.00 -2.05 -0.94 114.93 116.27 3dai h MET 980 Ca 0.00 -0.05 0.08 0.00 -0.00 0.00 0.00 59.70 59.73 3dai h MET 980 Cb 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 31.60 31.35 3dai h MET 980 CO 0.00 0.54 0.47 1.96 -0.00 0.00 0.00 176.91 179.87 3dai h GLN 981 N 0.84 0.79 -0.28 -0.10 4.20 -2.06 -1.89 115.11 116.61 3dai h GLN 981 Ca 0.26 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.77 3dai h GLN 981 Cb -0.03 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3dai h GLN 981 CO -0.09 0.52 -0.40 0.93 -0.67 0.00 0.00 178.83 179.13 3dai h GLU 982 N 0.81 0.77 -0.65 1.46 5.08 -1.91 -2.43 114.58 117.71 3dai h GLU 982 Ca 0.37 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3dai h GLU 982 Cb 0.28 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3dai h GLU 982 CO -0.22 1.08 0.43 0.93 -1.00 0.00 0.00 179.01 180.23 3dai h GLU 983 N 0.52 0.84 -0.39 2.33 3.07 -1.02 -1.78 114.58 118.15 3dai h GLU 983 Ca 0.03 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 3dai h GLU 983 Cb 0.99 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 3dai h GLU 983 CO 0.09 0.55 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.64 3dai h ASP 984 N 0.86 0.74 0.13 1.42 3.32 -1.23 -1.06 116.42 120.61 3dai h ASP 984 Ca 0.24 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dai h ASP 984 Cb -0.07 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3dai h ASP 984 CO -0.06 0.92 -0.06 0.74 -1.72 0.00 0.00 179.24 179.06 3dai h THR 985 N 0.66 0.88 -0.55 0.35 2.02 -0.91 -0.42 112.91 114.93 3dai h THR 985 Ca 0.10 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 3dai h THR 985 Cb 0.67 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3dai h THR 985 CO 0.05 0.01 0.05 -0.26 0.37 0.00 0.00 175.52 175.73 3dai h PHE 986 N -0.19 0.96 -0.49 3.16 0.04 -1.32 -1.50 116.94 117.60 3dai h PHE 986 Ca -0.02 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 3dai h PHE 986 Cb 0.15 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3dai h PHE 986 CO -0.06 0.85 0.25 -0.09 -0.60 0.00 0.00 178.31 178.65 3dai h ARG 987 N 0.85 0.70 -0.51 1.51 2.43 -1.09 -1.16 114.38 117.10 3dai h ARG 987 Ca 0.17 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3dai h ARG 987 Cb 0.44 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3dai h ARG 987 CO 0.02 0.57 0.28 1.49 -1.51 0.00 0.00 179.97 180.81 3dai h GLU 988 N 0.65 0.53 -0.40 0.20 4.81 -0.84 -1.40 114.58 118.13 3dai h GLU 988 Ca 0.17 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3dai h GLU 988 Cb 0.09 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 3dai h GLU 988 CO -0.02 0.35 0.01 1.25 -0.73 0.00 0.00 179.01 179.87 3dai h LEU 989 N 0.55 -0.15 -0.68 1.64 5.85 -1.07 -0.33 115.31 121.12 3dai h LEU 989 Ca 0.22 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3dai h LEU 989 Cb 0.08 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dai h LEU 989 CO -0.13 -0.04 0.43 0.03 -0.34 0.00 0.00 178.44 178.40 3dai h ARG 990 N 0.12 0.82 -0.27 1.25 3.08 -0.80 0.62 114.38 119.20 3dai h ARG 990 Ca 0.20 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3dai h ARG 990 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3dai h ARG 990 CO -0.32 0.55 0.13 0.82 -1.07 0.00 0.00 179.97 180.08 3dai h ILE 991 N 0.85 0.99 -0.09 2.04 2.04 -0.90 0.09 117.51 122.53 3dai h ILE 991 Ca 0.27 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 66.05 3dai h ILE 991 Cb -0.00 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3dai h ILE 991 CO -0.10 0.05 -0.02 0.15 0.00 0.00 0.00 178.15 178.23 3dai h PHE 992 N 0.28 -0.05 -0.84 1.37 3.57 -0.68 -2.46 116.94 118.13 3dai h PHE 992 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dai h PHE 992 Cb 0.03 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3dai h PHE 992 CO -0.09 -0.04 0.42 -0.07 -2.23 0.00 0.00 178.31 176.29 3dai h LEU 993 N -0.00 1.08 -0.61 0.59 3.38 -0.61 -2.01 115.31 117.13 3dai h LEU 993 Ca 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dai h LEU 993 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3dai h LEU 993 CO -0.09 0.90 0.32 0.03 0.09 0.00 0.00 178.44 179.68 3dai h ARG 994 N 1.19 0.87 -0.23 1.13 3.08 -0.90 -0.59 114.38 118.93 3dai h ARG 994 Ca 0.29 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3dai h ARG 994 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3dai h ARG 994 CO -0.04 0.68 0.08 -0.97 -1.07 0.00 0.00 179.97 178.64 3dai h ASN 995 N 0.84 0.33 -0.36 7.04 -0.73 -1.13 -0.46 115.58 121.11 3dai h ASN 995 Ca 0.21 -0.20 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 3dai h ASN 995 Cb 0.08 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3dai h ASN 995 CO -0.03 0.44 0.18 0.58 -0.37 0.00 0.00 177.43 178.23 3dai h VAL 996 N 0.21 1.16 -0.59 2.57 2.07 -1.32 -1.99 116.25 118.35 3dai h VAL 996 Ca 0.07 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3dai h VAL 996 Cb 0.22 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3dai h VAL 996 CO -0.00 0.17 0.36 0.74 0.02 0.00 0.00 177.57 178.86 3dai h THR 997 N 0.45 1.17 -0.91 2.57 2.02 -1.02 -1.93 112.91 115.27 3dai h THR 997 Ca 0.13 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3dai h THR 997 Cb 0.10 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 3dai h THR 997 CO -0.02 0.17 0.60 -0.74 0.37 0.00 0.00 175.52 175.90 3dai h HIS 998 N 0.79 1.13 -0.53 3.16 -0.00 -0.95 -0.05 115.15 118.70 3dai h HIS 998 Ca 0.21 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3dai h HIS 998 Cb -0.04 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 26.97 3dai h HIS 998 CO -0.02 0.70 0.25 0.00 -0.00 0.00 0.00 177.93 178.85 3dai h ARG 999 N 1.21 0.74 -0.10 5.26 3.08 -0.82 -1.81 114.38 121.93 3dai h ARG 999 Ca 0.34 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 3dai h ARG 999 Cb -0.11 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 3dai h ARG 999 CO -0.08 0.58 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.20 3dai h LEU 1000N 0.74 0.29 -1.79 3.04 3.38 -1.07 -3.24 115.31 116.66 3dai h LEU 1000Ca 0.18 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3dai h LEU 1000Cb 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dai h LEU 1000CO -0.02 0.73 -0.15 0.00 0.09 0.00 0.00 178.44 179.09 3dai h ALA 1001N 0.57 1.36 -0.01 1.53 0.00 -0.74 -2.03 119.26 119.94 3dai h ALA 1001Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dai h ALA 1001Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dai h ALA 1001CO 0.03 0.19 -0.30 0.44 0.00 0.00 0.00 179.25 179.61 3dai n ILE 1002N -3.80 0.00 -2.38 0.00 -5.35 -0.70 -4.77 119.36 102.36 3dai n ILE 1002Ca -0.02 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 61.95 3dai n ILE 1002Cb 0.26 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 3dai n ILE 1002CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3dai s ASP 1003N -2.63 6.97 0.50 7.28 -1.08 -0.77 -4.91 116.67 122.04 3dai s ASP 1003Ca 0.21 1.90 0.18 0.00 -0.52 0.00 0.00 52.55 54.33 3dai s ASP 1003Cb 0.19 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.34 3dai s ASP 1003CO 0.56 -0.65 2.05 0.11 0.52 0.00 0.00 175.17 177.76 3dai h LYS 1004N 7.68 0.11 0.00 4.34 6.56 -1.88 -1.32 116.57 132.06 3dai h LYS 1004Ca -0.35 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.22 3dai h LYS 1004Cb 1.16 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.79 3dai h LYS 1004CO 0.90 0.07 -0.07 0.00 -2.06 0.00 0.00 179.45 178.29 3dai h ARG 1005N 0.12 0.00 -0.39 3.15 3.08 -1.93 -3.11 114.38 115.29 3dai h ARG 1005Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dai h ARG 1005Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3dai h ARG 1005CO -0.02 0.07 0.00 1.19 -1.07 0.00 0.00 179.97 180.14 3dai n PHE 1006N -3.58 0.51 -0.32 3.04 3.72 -0.50 -4.57 117.46 115.76 3dai n PHE 1006Ca -0.02 -0.40 0.14 0.00 -0.05 0.00 0.00 57.45 57.12 3dai n PHE 1006Cb 0.19 -0.01 0.37 0.00 -0.94 0.00 0.00 39.48 39.09 3dai n PHE 1006CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3dai h ARG 1007N 2.84 0.66 0.00 -1.08 2.43 -1.57 0.11 114.38 117.77 3dai h ARG 1007Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dai h ARG 1007Cb 0.78 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3dai h ARG 1007CO 0.00 0.44 -0.00 -0.24 -1.51 0.00 0.00 179.97 178.65 3dai h VAL 1008N 0.68 0.51 -0.60 0.20 3.04 -1.86 -2.08 116.25 116.14 3dai h VAL 1008Ca 0.53 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 3dai h VAL 1008Cb 0.93 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3dai h VAL 1008CO -0.29 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.76 3dai n PHE 1009N -3.81 0.79 0.47 3.17 3.72 0.39 -4.28 117.46 117.91 3dai n PHE 1009Ca -0.03 -0.40 0.12 0.00 -0.05 0.00 0.00 57.45 57.09 3dai n PHE 1009Cb 0.09 -0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.78 3dai n PHE 1009CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dai h THR 1010N 4.44 0.00 -3.98 4.37 1.35 -1.34 0.23 112.91 117.98 3dai h THR 1010Ca 0.00 -0.60 -0.21 0.00 -0.55 0.00 0.00 66.41 65.05 3dai h THR 1010Cb 1.00 1.22 -0.18 0.00 -1.73 0.00 0.00 68.15 68.46 3dai h THR 1010CO 0.00 0.00 -0.71 -0.54 -0.25 0.00 0.00 175.52 174.02 3dai s LYS 1011N -3.20 0.59 0.81 4.72 1.02 -1.26 -3.27 119.74 119.15 3dai s LYS 1011Ca 0.05 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.92 3dai s LYS 1011Cb 0.12 -0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3dai s LYS 1011CO 0.72 -0.02 0.90 -2.30 -0.92 0.00 0.00 175.35 173.74 3dai n PRO 1012N 0.80 0.14 -2.41 -1.68 -0.02 -1.26 -4.88 135.00 125.70 3dai n PRO 1012Ca -0.18 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 3dai n PRO 1012Cb 0.58 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3dai n PRO 1012CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dai s VAL 1013N -2.11 3.85 -0.17 -1.45 1.01 -1.26 -4.99 120.40 115.28 3dai s VAL 1013Ca 0.69 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 3dai s VAL 1013Cb -0.29 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3dai s VAL 1013CO 0.55 0.16 1.35 -0.62 0.00 0.00 0.00 175.10 176.55 3dai s ASP 1014N 0.65 6.82 0.62 3.32 2.15 -1.26 -4.90 116.67 124.07 3dai s ASP 1014Ca 0.56 1.71 0.41 0.00 0.43 0.00 0.00 52.55 55.66 3dai s ASP 1014Cb -0.31 -2.54 2.06 0.00 -0.30 0.00 0.00 42.92 41.83 3dai s ASP 1014CO 0.32 -0.86 2.23 1.55 -0.17 0.00 0.00 175.17 178.24 3dai h PRO 1015N 8.74 0.00 0.12 4.34 0.13 -1.95 0.45 132.00 143.84 3dai h PRO 1015Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3dai h PRO 1015Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3dai h PRO 1015CO 0.98 0.00 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.25 3dai h ASP 1016N 0.00 -0.14 -0.29 1.44 3.32 -1.95 -2.85 116.42 115.95 3dai h ASP 1016Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3dai h ASP 1016Cb 0.18 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3dai h ASP 1016CO 0.00 0.47 0.16 -0.33 -1.72 0.00 0.00 179.24 177.81 3dai h GLU 1017N -0.89 0.41 -3.20 3.56 3.07 -1.80 -3.38 114.58 112.35 3dai h GLU 1017Ca -0.02 -0.05 -0.62 0.00 -0.50 0.00 0.00 59.36 58.17 3dai h GLU 1017Cb 0.53 -0.08 -0.40 0.00 -0.84 0.00 0.00 28.75 27.96 3dai h GLU 1017CO 0.03 0.36 -0.70 0.08 -1.40 0.00 0.00 179.01 177.38 3dai s VAL 1018N -5.84 1.84 0.15 3.13 1.01 0.15 -4.99 120.40 115.85 3dai s VAL 1018Ca -0.13 -2.78 0.02 0.00 0.00 0.00 0.00 61.98 59.09 3dai s VAL 1018Cb 0.09 -2.29 -0.17 0.00 0.00 0.00 0.00 36.38 34.01 3dai s VAL 1018CO 0.72 -0.84 1.34 1.55 0.00 0.00 0.00 175.10 177.86 3dai h PRO 1019N 6.72 0.17 -0.03 2.72 0.13 -1.69 -3.11 132.00 136.92 3dai h PRO 1019Ca -0.04 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dai h PRO 1019Cb 0.92 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3dai h PRO 1019CO 0.56 0.99 0.00 -0.40 -0.23 0.00 0.00 178.00 178.91 3dai n ASP 1020N -3.60 0.27 0.08 1.44 3.85 -1.26 -4.21 116.55 113.12 3dai n ASP 1020Ca -0.04 -1.58 -0.13 0.00 -0.71 0.00 0.00 54.79 52.34 3dai n ASP 1020Cb 0.85 -0.02 -0.08 0.00 -1.35 0.00 0.00 41.12 40.52 3dai n ASP 1020CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 3dai h TYR 1021N 0.34 -0.21 0.00 2.11 3.20 -1.92 -1.95 116.97 118.54 3dai h TYR 1021Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3dai h TYR 1021Cb 0.08 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3dai h TYR 1021CO 0.02 0.18 0.00 0.28 -1.64 0.00 0.00 178.16 177.00 3dai h VAL 1022N -0.66 0.00 0.04 1.81 2.07 -1.80 0.18 116.25 117.88 3dai h VAL 1022Ca -0.02 -0.16 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 3dai h VAL 1022Cb 0.48 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3dai h VAL 1022CO 0.04 0.00 -1.86 0.35 0.02 0.00 0.00 177.57 176.12 3dai n THR 1023N -2.73 1.64 0.10 2.57 -2.24 -1.21 -4.43 114.28 107.98 3dai n THR 1023Ca -0.01 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 60.79 3dai n THR 1023Cb 0.15 -1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.03 3dai n THR 1023CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3dai h VAL 1024N 0.02 1.32 -3.55 2.28 2.07 -0.59 -3.43 116.25 114.37 3dai h VAL 1024Ca -0.35 -2.50 -0.71 0.00 0.82 0.00 0.00 66.70 63.96 3dai h VAL 1024Cb 2.03 2.85 -0.27 0.00 -1.52 0.00 0.00 31.29 34.38 3dai h VAL 1024CO 0.07 0.75 -0.52 -0.63 0.02 0.00 0.00 177.57 177.27 3dai s ILE 1025N -2.83 4.26 0.19 4.57 -1.09 0.56 -4.96 121.20 121.90 3dai s ILE 1025Ca -0.10 -1.14 0.14 0.00 -2.23 0.00 0.00 60.65 57.32 3dai s ILE 1025Cb 0.04 -3.48 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 3dai s ILE 1025CO 0.92 -0.33 1.64 0.11 -1.23 0.00 0.00 174.94 176.05 3dai h LYS 1026N 8.38 0.00 -2.59 2.79 1.79 -1.84 -3.37 116.57 121.72 3dai h LYS 1026Ca -0.24 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.63 3dai h LYS 1026Cb 1.09 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.35 3dai h LYS 1026CO 0.69 0.52 -0.85 -1.14 -1.08 0.00 0.00 179.45 177.58 3dai s GLN 1027N -3.53 1.36 0.35 3.15 0.74 -1.26 -5.11 119.66 115.36 3dai s GLN 1027Ca -0.00 -2.46 -0.28 0.00 0.05 0.00 0.00 55.36 52.67 3dai s GLN 1027Cb 0.11 -2.02 -0.12 0.00 1.10 0.00 0.00 33.01 32.09 3dai s GLN 1027CO 0.73 -1.35 1.43 -2.30 -0.55 0.00 0.00 175.29 173.25 3dai n PRO 1028N 2.62 2.48 -3.83 1.67 -0.02 -1.26 -4.95 135.00 131.70 3dai n PRO 1028Ca 0.26 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.49 3dai n PRO 1028Cb 0.44 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3dai n PRO 1028CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3dai s MET 1029N -1.83 0.40 0.27 -0.52 1.75 -1.26 -5.07 119.30 113.04 3dai s MET 1029Ca 0.55 -0.11 -0.14 0.00 -1.25 0.00 0.00 55.69 54.75 3dai s MET 1029Cb -0.51 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.33 3dai s MET 1029CO 0.61 -0.09 0.54 0.16 -0.65 0.00 0.00 175.02 175.60 3dai s ASP 1030N -0.79 -0.03 0.41 1.11 -4.77 -1.26 -4.63 116.67 106.71 3dai s ASP 1030Ca -0.09 -0.94 0.19 0.00 -3.30 0.00 0.00 52.55 48.42 3dai s ASP 1030Cb -0.05 0.63 0.87 0.00 -1.09 0.00 0.00 42.92 43.29 3dai s ASP 1030CO 0.01 -1.22 1.84 -0.07 0.70 0.00 0.00 175.17 176.43 3dai h LEU 1031N 2.18 0.00 -0.57 2.11 3.38 -0.74 -1.49 115.31 120.18 3dai h LEU 1031Ca -0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3dai h LEU 1031Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3dai h LEU 1031CO 0.34 0.31 -0.22 0.28 0.09 0.00 0.00 178.44 179.24 3dai h SER 1032N 0.00 0.93 -0.04 -0.43 0.02 -1.77 -1.81 113.55 110.45 3dai h SER 1032Ca -0.00 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 3dai h SER 1032Cb 0.70 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3dai h SER 1032CO 0.04 1.11 -0.36 0.28 -1.14 0.00 0.00 176.83 176.77 3dai h SER 1033N 0.79 0.55 -0.40 3.07 0.02 -1.75 -2.17 113.55 113.66 3dai h SER 1033Ca 0.10 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3dai h SER 1033Cb 0.77 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3dai h SER 1033CO 0.06 0.86 0.26 0.58 -1.14 0.00 0.00 176.83 177.45 3dai h VAL 1034N 0.45 1.08 -0.45 2.27 2.07 -1.13 -0.71 116.25 119.83 3dai h VAL 1034Ca 0.05 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dai h VAL 1034Cb 0.83 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3dai h VAL 1034CO 0.07 0.10 0.28 0.40 0.02 0.00 0.00 177.57 178.43 3dai h ILE 1035N 0.52 1.13 -0.64 4.57 1.08 -1.15 -1.28 117.51 121.74 3dai h ILE 1035Ca 0.15 -0.29 0.07 0.00 -0.39 0.00 0.00 64.86 64.39 3dai h ILE 1035Cb -0.04 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.18 3dai h ILE 1035CO -0.05 0.14 0.34 0.28 -0.69 0.00 0.00 178.15 178.16 3dai h SER 1036N 0.60 0.48 -0.37 1.72 0.02 -1.14 -2.64 113.55 112.21 3dai h SER 1036Ca 0.16 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3dai h SER 1036Cb -0.02 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3dai h SER 1036CO -0.03 0.30 -0.04 0.11 -1.14 0.00 0.00 176.83 176.03 3dai h LYS 1037N 0.62 0.77 -0.01 3.45 1.57 -0.74 -0.54 116.57 121.69 3dai h LYS 1037Ca 0.29 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3dai h LYS 1037Cb 0.22 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3dai h LYS 1037CO -0.20 0.81 -0.18 0.82 -0.57 0.00 0.00 179.45 180.12 3dai h ILE 1038N 0.72 0.55 -0.10 1.86 2.04 -0.93 -1.16 117.51 120.50 3dai h ILE 1038Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 3dai h ILE 1038Cb 0.49 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3dai h ILE 1038CO 0.03 0.00 -0.22 0.44 0.00 0.00 0.00 178.15 178.40 3dai h ASP 1039N -0.29 0.15 0.00 1.72 3.32 -1.21 -0.19 116.42 119.92 3dai h ASP 1039Ca 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dai h ASP 1039Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dai h ASP 1039CO -0.18 0.38 0.00 0.18 -1.72 0.00 0.00 179.24 177.90 3dai n LEU 1040N -4.22 0.00 -2.70 1.55 4.77 -0.23 -4.91 117.00 111.26 3dai n LEU 1040Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 3dai n LEU 1040Cb 0.32 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3dai n LEU 1040CO 0.38 0.00 -0.02 1.41 -1.33 0.00 0.00 177.39 177.83 3dai n HIS 1041N -0.69 -1.71 0.53 -1.77 8.25 -0.08 -4.90 115.22 114.85 3dai n HIS 1041Ca 0.09 0.43 0.13 0.00 -0.26 0.00 0.00 57.72 58.11 3dai n HIS 1041Cb 0.04 -4.15 0.29 0.00 1.12 0.00 0.00 29.99 27.29 3dai n HIS 1041CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3dai h LYS 1042N -1.15 0.00 -4.74 -0.41 1.79 -1.41 -3.42 116.57 107.23 3dai h LYS 1042Ca -0.48 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.30 3dai h LYS 1042Cb 1.33 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.69 3dai h LYS 1042CO 0.52 0.00 -0.64 0.71 -1.08 0.00 0.00 179.45 178.96 3dai s TYR 1043N -3.15 3.22 -0.87 -1.35 2.02 -1.26 -4.92 117.35 111.05 3dai s TYR 1043Ca 0.08 -1.44 0.20 0.00 -0.37 0.00 0.00 57.07 55.55 3dai s TYR 1043Cb 0.11 -2.22 -0.22 0.00 -0.40 0.00 0.00 41.96 39.23 3dai s TYR 1043CO 0.65 -0.71 0.81 1.28 -1.57 0.00 0.00 175.55 176.00 3dai n LEU 1044N 4.77 0.86 -4.05 -1.29 4.77 -1.26 -4.87 117.00 115.93 3dai n LEU 1044Ca -0.13 -0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 55.30 3dai n LEU 1044Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3dai n LEU 1044CO 0.30 0.22 -0.27 0.42 -1.33 0.00 0.00 177.39 176.72 3dai s THR 1045N -2.91 0.17 0.39 -5.08 -4.23 -1.26 -4.65 115.64 98.07 3dai s THR 1045Ca 0.06 -1.69 0.13 0.00 -1.18 0.00 0.00 61.69 59.01 3dai s THR 1045Cb 0.15 -1.62 0.12 0.00 1.34 0.00 0.00 72.50 72.48 3dai s THR 1045CO 0.82 -0.77 1.87 1.62 -0.54 0.00 0.00 174.62 177.62 3dai h VAL 1046N 2.97 1.23 -0.76 2.29 3.04 -1.93 -2.81 116.25 120.28 3dai h VAL 1046Ca -0.34 -1.08 0.07 0.00 -1.01 0.00 0.00 66.70 64.34 3dai h VAL 1046Cb 1.17 1.56 -0.06 0.00 -2.01 0.00 0.00 31.29 31.95 3dai h VAL 1046CO 0.61 0.31 0.44 0.11 -1.01 0.00 0.00 177.57 178.04 3dai h LYS 1047N 0.02 0.77 -0.20 4.17 1.57 -1.98 0.13 116.57 121.07 3dai h LYS 1047Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3dai h LYS 1047Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3dai h LYS 1047CO 0.04 0.51 0.08 -0.44 -0.57 0.00 0.00 179.45 179.07 3dai h ASP 1048N 0.80 0.10 0.07 0.86 3.32 -1.91 -1.55 116.42 118.11 3dai h ASP 1048Ca 0.34 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3dai h ASP 1048Cb 0.21 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3dai h ASP 1048CO -0.19 0.09 -0.04 0.22 -1.72 0.00 0.00 179.24 177.60 3dai h TYR 1049N 0.18 -0.10 0.00 4.55 3.20 -1.36 -3.00 116.97 120.44 3dai h TYR 1049Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3dai h TYR 1049Cb 0.04 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3dai h TYR 1049CO -0.11 -0.06 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.20 3dai h LEU 1050N -0.10 0.00 -0.72 2.82 3.38 -0.85 -1.83 115.31 118.01 3dai h LEU 1050Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dai h LEU 1050Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3dai h LEU 1050CO 0.01 0.08 0.46 -0.09 0.09 0.00 0.00 178.44 178.99 3dai h ARG 1051N 0.00 0.90 -0.17 1.13 2.43 -1.14 0.11 114.38 117.64 3dai h ARG 1051Ca -0.00 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3dai h ARG 1051Cb 0.16 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3dai h ARG 1051CO 0.01 0.60 -0.62 -0.44 -1.51 0.00 0.00 179.97 178.00 3dai h ASP 1052N 0.93 0.70 -0.17 -3.80 3.32 -1.34 -1.65 116.42 114.40 3dai h ASP 1052Ca 0.27 -0.41 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3dai h ASP 1052Cb -0.05 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3dai h ASP 1052CO -0.08 1.15 -0.02 0.40 -1.72 0.00 0.00 179.24 178.97 3dai h ILE 1053N 0.45 0.86 -0.66 0.35 1.08 -1.17 -1.58 117.51 116.84 3dai h ILE 1053Ca -0.01 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 3dai h ILE 1053Cb 1.20 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 3dai h ILE 1053CO 0.12 0.01 0.44 0.44 -0.69 0.00 0.00 178.15 178.46 3dai h ASP 1054N 0.03 0.55 -0.38 1.72 3.32 -0.73 -2.02 116.42 118.91 3dai h ASP 1054Ca 0.08 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3dai h ASP 1054Cb 0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dai h ASP 1054CO -0.15 0.35 -0.25 0.25 -1.72 0.00 0.00 179.24 177.72 3dai h LEU 1055N 0.62 0.87 -0.37 1.55 5.85 -0.93 0.17 115.31 123.06 3dai h LEU 1055Ca 0.29 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3dai h LEU 1055Cb 0.34 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3dai h LEU 1055CO -0.09 1.11 -0.03 0.40 -0.34 0.00 0.00 178.44 179.49 3dai h ILE 1056N 0.64 0.68 0.23 4.05 2.04 -0.84 -0.24 117.51 124.07 3dai h ILE 1056Ca 0.08 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3dai h ILE 1056Cb 0.81 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3dai h ILE 1056CO 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 3dai h SER 1058N -0.58 0.80 -0.84 0.00 4.64 -0.58 -1.39 113.55 115.61 3dai h SER 1058Ca -0.03 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dai h SER 1058Cb 0.42 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3dai h SER 1058CO 0.05 0.65 0.51 0.78 -0.87 0.00 0.00 176.83 177.95 3dai h ASN 1059N 0.91 1.00 -0.49 4.97 2.35 -1.05 -1.65 115.58 121.62 3dai h ASN 1059Ca 0.23 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3dai h ASN 1059Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3dai h ASN 1059CO -0.04 0.77 -0.06 0.00 -1.65 0.00 0.00 177.43 176.45 3dai h ALA 1060N 1.27 0.67 -0.45 -0.83 0.00 -0.98 -1.18 119.26 117.77 3dai h ALA 1060Ca 0.30 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3dai h ALA 1060Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3dai h ALA 1060CO -0.06 0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3dai h LEU 1061N 0.76 0.86 -0.09 0.00 3.38 -1.06 -2.21 115.31 116.96 3dai h LEU 1061Ca 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dai h LEU 1061Cb 0.60 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dai h LEU 1061CO 0.04 1.01 -0.03 -0.08 0.09 0.00 0.00 178.44 179.47 3dai h GLU 1062N 0.76 0.17 0.00 1.13 4.81 -1.24 -3.22 114.58 116.99 3dai h GLU 1062Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dai h GLU 1062Cb 0.68 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3dai h GLU 1062CO 0.05 0.51 0.00 -0.92 -0.73 0.00 0.00 179.01 177.92 3dai h TYR 1063N -0.17 0.00 -2.06 0.92 3.20 -1.20 -3.35 116.97 114.30 3dai h TYR 1063Ca 0.02 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.36 3dai h TYR 1063Cb 0.45 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 38.32 3dai h TYR 1063CO 0.06 0.00 -1.03 0.09 -1.64 0.00 0.00 178.16 175.64 3dai n ASN 1064N -2.83 1.47 -0.50 -2.11 3.02 -0.83 -4.96 115.26 108.52 3dai n ASN 1064Ca 0.03 -3.06 0.13 0.00 -0.03 0.00 0.00 54.58 51.66 3dai n ASN 1064Cb 0.39 -0.62 0.41 0.00 -0.61 0.00 0.00 39.78 39.35 3dai n ASN 1064CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dai n PRO 1065N 0.61 1.56 -2.20 3.52 -0.04 -1.22 -4.71 135.00 132.54 3dai n PRO 1065Ca 0.25 -1.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.43 3dai n PRO 1065Cb 0.55 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.57 3dai n PRO 1065CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dai s ASP 1066N -2.13 5.50 0.00 3.54 1.01 -1.26 -4.99 116.67 118.35 3dai s ASP 1066Ca 0.33 0.86 0.30 0.00 0.71 0.00 0.00 52.55 54.75 3dai s ASP 1066Cb 0.20 -1.77 1.46 0.00 1.01 0.00 0.00 42.92 43.83 3dai s ASP 1066CO 0.38 -1.19 2.02 -2.11 0.21 0.00 0.00 175.17 174.48 3dai n ARG 1067N -2.76 0.38 -1.73 8.23 -4.01 -1.26 -4.14 116.66 111.37 3dai n ARG 1067Ca 0.05 -0.01 -0.33 0.00 -1.04 0.00 0.00 57.85 56.52 3dai n ARG 1067Cb 0.58 -1.50 0.05 0.00 -3.04 0.00 0.00 32.46 28.55 3dai n ARG 1067CO 0.00 0.00 0.00 0.16 -3.04 0.00 0.00 177.63 174.75 3dai s ASP 1068N -2.63 5.00 0.29 2.89 1.47 -1.26 -4.73 116.67 117.71 3dai s ASP 1068Ca 0.26 2.05 -0.00 0.00 1.18 0.00 0.00 52.55 56.04 3dai s ASP 1068Cb 0.20 -2.56 0.49 0.00 -0.34 0.00 0.00 42.92 40.71 3dai s ASP 1068CO 0.47 -1.70 1.89 -0.65 0.68 0.00 0.00 175.17 175.86 3dai h PRO 1069N 0.01 1.05 -0.75 2.11 0.11 -1.98 -0.21 132.00 132.33 3dai h PRO 1069Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3dai h PRO 1069Cb 1.25 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3dai h PRO 1069CO 0.54 0.69 0.46 0.78 -0.21 0.00 0.00 178.00 180.26 3dai h GLY 1070N 1.08 1.09 0.73 -0.55 0.00 -1.96 -0.90 103.07 102.56 3dai h GLY 1070Ca 0.42 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3dai h GLY 1070CO -0.17 0.44 -0.18 -0.55 0.00 0.00 0.00 176.54 176.08 3dai h ASP 1071N 1.03 0.39 -0.36 0.19 5.19 -1.68 -2.73 116.42 118.44 3dai h ASP 1071Ca 0.27 -0.52 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3dai h ASP 1071Cb -0.04 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3dai h ASP 1071CO -0.05 0.83 0.14 0.03 -3.12 0.00 0.00 179.24 177.07 3dai h ARG 1072N -0.05 0.62 0.11 3.56 3.08 -0.97 -1.85 114.38 118.89 3dai h ARG 1072Ca 0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3dai h ARG 1072Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3dai h ARG 1072CO 0.04 0.54 -0.05 1.25 -1.07 0.00 0.00 179.97 180.68 3dai h LEU 1073N 0.61 -0.13 -0.88 3.04 5.85 -1.12 -1.61 115.31 121.07 3dai h LEU 1073Ca 0.15 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3dai h LEU 1073Cb 0.18 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3dai h LEU 1073CO -0.01 0.14 0.56 -0.29 -0.34 0.00 0.00 178.44 178.50 3dai h ILE 1074N -0.40 1.12 -0.52 4.05 2.10 -1.35 -0.96 117.51 121.55 3dai h ILE 1074Ca -0.02 -0.37 -0.10 0.00 1.08 0.00 0.00 64.86 65.45 3dai h ILE 1074Cb 0.33 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 35.99 3dai h ILE 1074CO 0.03 0.20 -0.09 0.03 -1.08 0.00 0.00 178.15 177.24 3dai h ARG 1075N 1.08 0.96 -0.69 2.19 3.08 -1.31 0.23 114.38 119.93 3dai h ARG 1075Ca 0.36 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3dai h ARG 1075Cb 0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3dai h ARG 1075CO -0.13 1.00 0.33 1.25 -1.07 0.00 0.00 179.97 181.35 3dai h HIS 1076N 0.86 1.00 -0.53 3.04 2.76 -0.89 -1.78 115.15 119.62 3dai h HIS 1076Ca 0.14 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 3dai h HIS 1076Cb 0.63 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3dai h HIS 1076CO 0.04 0.74 0.02 0.00 -1.30 0.00 0.00 177.93 177.44 3dai h ARG 1077N 0.96 0.91 -0.23 5.26 3.08 -0.87 -1.87 114.38 121.62 3dai h ARG 1077Ca 0.24 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3dai h ARG 1077Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3dai h ARG 1077CO -0.03 0.92 0.03 0.00 -1.07 0.00 0.00 179.97 179.83 3dai h ALA 1078N 0.96 0.23 -0.63 0.04 0.00 -0.43 -0.03 119.26 119.39 3dai h ALA 1078Ca 0.15 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dai h ALA 1078Cb 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3dai h ALA 1078CO 0.02 -0.39 0.17 0.00 0.00 0.00 0.00 179.25 179.05 3dai h ALA 1080N 1.24 0.65 -0.28 0.00 0.00 -1.14 0.54 119.26 120.28 3dai h ALA 1080Ca 0.20 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dai h ALA 1080Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3dai h ALA 1080CO -0.00 0.55 0.07 1.25 0.00 0.00 0.00 179.25 181.12 3dai h LEU 1081N 0.76 0.05 0.33 0.00 5.85 -0.70 0.22 115.31 121.82 3dai h LEU 1081Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3dai h LEU 1081Cb 0.66 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3dai h LEU 1081CO 0.05 0.06 -0.16 -0.09 -0.34 0.00 0.00 178.44 177.96 3dai h ARG 1082N 0.18 -0.43 -0.65 1.25 2.43 -1.23 -1.80 114.38 114.13 3dai h ARG 1082Ca 0.13 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3dai h ARG 1082Cb 0.12 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3dai h ARG 1082CO -0.15 -0.28 0.34 -0.44 -1.51 0.00 0.00 179.97 177.93 3dai h ASP 1083N -0.45 0.83 -0.19 -3.80 3.32 -0.76 -1.98 116.42 113.39 3dai h ASP 1083Ca -0.05 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3dai h ASP 1083Cb 0.35 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3dai h ASP 1083CO 0.07 0.70 0.04 0.74 -1.72 0.00 0.00 179.24 179.08 3dai h THR 1084N 0.90 0.92 -0.25 0.35 2.02 -0.50 -0.88 112.91 115.48 3dai h THR 1084Ca 0.23 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.38 3dai h THR 1084Cb 0.07 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3dai h THR 1084CO -0.03 0.02 0.11 0.00 0.37 0.00 0.00 175.52 175.99 3dai h ALA 1085N 1.14 0.29 -0.96 6.16 0.00 -1.18 -1.38 119.26 123.32 3dai h ALA 1085Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3dai h ALA 1085Cb 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3dai h ALA 1085CO -0.11 -0.30 0.64 1.88 0.00 0.00 0.00 179.25 181.36 3dai h TYR 1086N 0.23 1.20 -0.33 0.00 -1.99 -1.20 -2.10 116.97 112.79 3dai h TYR 1086Ca 0.10 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.76 3dai h TYR 1086Cb 0.05 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.37 3dai h TYR 1086CO -0.11 0.73 -0.18 0.00 -0.00 0.00 0.00 178.16 178.61 3dai h ALA 1087N 1.41 0.46 0.10 3.88 0.00 -0.90 -0.42 119.26 123.80 3dai h ALA 1087Ca 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dai h ALA 1087Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dai h ALA 1087CO -0.09 0.39 -0.09 0.82 0.00 0.00 0.00 179.25 180.28 3dai h ILE 1088N 0.46 0.79 -0.62 0.00 2.04 -1.04 -1.70 117.51 117.43 3dai h ILE 1088Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3dai h ILE 1088Cb 0.72 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3dai h ILE 1088CO 0.05 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.90 3dai h ILE 1089N -0.21 0.88 -0.77 -0.67 1.08 -1.33 0.23 117.51 116.72 3dai h ILE 1089Ca 0.00 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 3dai h ILE 1089Cb 0.20 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 3dai h ILE 1089CO -0.02 0.10 0.35 0.50 -0.69 0.00 0.00 178.15 178.39 3dai h LYS 1090N 0.54 1.11 0.06 2.37 3.64 -0.92 -0.95 116.57 122.43 3dai h LYS 1090Ca 0.30 -0.17 -0.27 0.00 -1.27 0.00 0.00 60.65 59.24 3dai h LYS 1090Cb 0.28 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3dai h LYS 1090CO -0.23 0.88 -1.11 1.49 -2.27 0.00 0.00 179.45 178.20 3dai h GLU 1091N 1.09 0.52 0.00 1.90 4.81 -0.96 -3.41 114.58 118.53 3dai h GLU 1091Ca 0.26 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3dai h GLU 1091Cb 0.14 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3dai h GLU 1091CO -0.03 1.26 -0.81 0.39 -0.73 0.00 0.00 179.01 179.09 3dai n GLU 1092N -3.75 2.56 -3.49 1.92 1.02 0.78 -4.90 120.64 114.78 3dai n GLU 1092Ca -0.10 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.61 3dai n GLU 1092Cb 0.92 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 31.23 3dai n GLU 1092CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dai s LEU 1093N -2.90 4.25 0.17 -4.62 2.96 -0.37 -5.01 118.68 113.16 3dai s LEU 1093Ca 0.00 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 53.50 3dai s LEU 1093Cb 0.06 -2.25 -0.10 0.00 0.50 0.00 0.00 46.19 44.40 3dai s LEU 1093CO 0.33 -0.20 1.52 -0.62 -1.32 0.00 0.00 176.35 176.07 3dai s ASP 1094N 1.72 6.63 0.47 3.68 -1.08 -1.26 -4.82 116.67 122.01 3dai s ASP 1094Ca 0.10 2.58 0.13 0.00 -0.52 0.00 0.00 52.55 54.83 3dai s ASP 1094Cb -0.16 -2.60 1.10 0.00 -1.46 0.00 0.00 42.92 39.80 3dai s ASP 1094CO 0.11 -0.78 2.11 -0.33 0.52 0.00 0.00 175.17 176.80 3dai h GLU 1095N 6.50 0.22 0.00 4.34 5.08 -1.95 -1.91 114.58 126.86 3dai h GLU 1095Ca -0.43 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 3dai h GLU 1095Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3dai h GLU 1095CO 0.88 0.15 -0.85 -0.44 -1.00 0.00 0.00 179.01 177.75 3dai h ASP 1096N 0.23 0.04 -0.19 1.42 3.32 -1.99 -1.04 116.42 118.21 3dai h ASP 1096Ca 0.07 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3dai h ASP 1096Cb -0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dai h ASP 1096CO -0.01 0.87 0.04 0.15 -1.72 0.00 0.00 179.24 178.56 3dai h PHE 1097N 0.02 0.33 -0.74 4.55 3.57 -1.75 -1.79 116.94 121.13 3dai h PHE 1097Ca -0.02 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3dai h PHE 1097Cb 1.49 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 3dai h PHE 1097CO 0.01 0.44 0.37 1.49 -2.23 0.00 0.00 178.31 178.39 3dai h GLU 1098N 0.12 1.05 -0.48 1.11 4.57 -1.37 -1.90 114.58 117.66 3dai h GLU 1098Ca 0.06 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3dai h GLU 1098Cb 0.29 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3dai h GLU 1098CO 0.00 0.80 0.28 0.37 -1.18 0.00 0.00 179.01 179.28 3dai h GLN 1099N 1.02 0.67 -0.26 1.92 5.75 -1.12 -1.18 115.11 121.91 3dai h GLN 1099Ca 0.26 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 3dai h GLN 1099Cb 0.09 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 3dai h GLN 1099CO -0.04 0.50 -0.10 1.25 -2.65 0.00 0.00 178.83 177.79 3dai h LEU 1100N 0.64 -0.36 -0.72 -2.39 5.85 -1.13 -0.36 115.31 116.85 3dai h LEU 1100Ca 0.17 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.10 3dai h LEU 1100Cb 0.02 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3dai h LEU 1100CO -0.03 -0.14 0.31 0.00 -0.34 0.00 0.00 178.44 178.25 3dai h GLU 1102N 0.50 0.79 -0.29 0.00 5.08 -0.79 -0.98 114.58 118.88 3dai h GLU 1102Ca 0.38 -0.33 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 3dai h GLU 1102Cb 0.51 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3dai h GLU 1102CO -0.34 0.94 -0.51 0.93 -1.00 0.00 0.00 179.01 179.03 3dai h GLU 1103N 0.69 0.83 -0.03 2.33 5.08 -0.18 -0.03 114.58 123.26 3dai h GLU 1103Ca 0.09 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3dai h GLU 1103Cb 0.75 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3dai h GLU 1103CO 0.06 1.14 0.01 0.82 -1.00 0.00 0.00 179.01 180.04 3dai h ILE 1104N 0.65 1.15 -0.19 3.13 2.04 -1.12 -2.19 117.51 120.97 3dai h ILE 1104Ca 0.02 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3dai h ILE 1104Cb 1.11 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3dai h ILE 1104CO 0.11 0.12 -0.05 -0.61 0.00 0.00 0.00 178.15 177.73 3dai h GLN 1105N -0.13 0.00 -0.11 2.37 4.15 -1.08 -0.87 115.11 119.46 3dai h GLN 1105Ca 0.01 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3dai h GLN 1105Cb 0.18 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 3dai h GLN 1105CO -0.00 0.00 0.11 0.93 -1.93 0.00 0.00 178.83 177.94 3dai h GLU 1106N 0.00 0.00 0.00 1.69 5.08 -0.94 -1.68 114.58 118.73 3dai h GLU 1106Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dai h GLU 1106Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dai h GLU 1106CO -0.19 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.69 3dai n SER 1107N -3.91 0.37 -0.34 1.42 3.41 -0.35 -5.09 113.62 109.12 3dai n SER 1107Ca -0.00 0.53 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 3dai n SER 1107Cb 0.22 -0.63 0.65 0.00 -0.26 0.00 0.00 64.21 64.18 3dai n SER 1107CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42