#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpd s GLU 976 N 0.00 4.08 0.07 5.55 -1.05 -1.26 -4.49 118.70 121.59 3fpd s GLU 976 Ca 0.00 0.04 -0.14 0.00 -0.15 0.00 0.00 54.97 54.72 3fpd s GLU 976 Cb 0.00 -3.60 -0.06 0.00 -0.44 0.00 0.00 34.13 30.03 3fpd s GLU 976 CO 0.00 -0.15 0.47 -0.98 0.95 0.00 0.00 175.26 175.55 3fpd s ARG 977 N 1.67 3.95 -0.53 -4.83 1.70 0.96 -4.84 118.95 117.01 3fpd s ARG 977 Ca 0.15 0.44 -0.25 0.00 -0.47 0.00 0.00 55.73 55.60 3fpd s ARG 977 Cb -0.15 -3.10 0.04 0.00 -0.57 0.00 0.00 34.95 31.16 3fpd s ARG 977 CO 0.09 0.60 0.99 0.42 -1.08 0.00 0.00 175.30 176.32 3fpd s ILE 978 N -1.25 4.33 -2.36 4.99 1.01 -1.26 -1.53 121.20 125.13 3fpd s ILE 978 Ca 0.30 0.52 0.23 0.00 0.00 0.00 0.00 60.65 61.70 3fpd s ILE 978 Cb -0.16 -4.55 0.47 0.00 0.01 0.00 0.00 42.46 38.22 3fpd s ILE 978 CO 0.17 -1.09 1.57 1.33 0.00 0.00 0.00 174.94 176.92 3fpd n VAL 979 N 6.35 0.18 -3.65 2.92 0.24 -0.67 -4.90 118.33 118.80 3fpd n VAL 979 Ca 0.04 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.34 61.97 3fpd n VAL 979 Cb 0.48 0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 33.26 3fpd n VAL 979 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fpd s SER 980 N -1.67 -0.08 0.42 -1.34 0.15 -1.20 -4.53 113.70 105.46 3fpd s SER 980 Ca 0.34 0.14 0.23 0.00 0.70 0.00 0.00 55.95 57.36 3fpd s SER 980 Cb 0.19 0.43 0.38 0.00 -1.71 0.00 0.00 66.02 65.30 3fpd s SER 980 CO 0.28 -0.02 1.61 0.03 1.20 0.00 0.00 173.24 176.34 3fpd h ARG 981 N 3.84 0.00 0.00 5.44 -0.00 -1.90 -2.30 114.38 119.46 3fpd h ARG 981 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 3fpd h ARG 981 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 3fpd h ARG 981 CO 0.19 0.08 0.00 -3.47 0.00 0.00 0.00 179.97 176.77 3fpd n ASP 982 N -3.12 0.00 0.29 7.04 2.03 -1.26 -3.81 116.55 117.72 3fpd n ASP 982 Ca 0.03 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.52 3fpd n ASP 982 Cb 0.54 0.00 0.88 0.00 -0.72 0.00 0.00 41.12 41.82 3fpd n ASP 982 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3fpd h ILE 983 N 0.00 0.24 0.00 5.18 3.07 -1.42 -2.12 117.51 122.46 3fpd h ILE 983 Ca 0.00 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.06 3fpd h ILE 983 Cb 0.00 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 3fpd h ILE 983 CO 0.00 0.05 -0.23 0.00 -1.05 0.00 0.00 178.15 176.92 3fpd n ALA 984 N -2.17 2.53 -3.56 0.16 0.00 -1.26 -4.83 120.51 111.37 3fpd n ALA 984 Ca -0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 3fpd n ALA 984 Cb 0.20 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.36 3fpd n ALA 984 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fpd n ARG 985 N -2.18 -6.68 -0.69 0.00 1.74 -0.80 -2.40 116.66 105.66 3fpd n ARG 985 Ca 0.05 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3fpd n ARG 985 Cb 0.43 -5.74 0.00 0.00 -1.02 0.00 0.00 32.46 26.13 3fpd n ARG 985 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fpd n GLY 986 N -1.51 1.47 0.19 -0.13 0.00 -1.26 -4.92 105.19 99.04 3fpd n GLY 986 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3fpd n GLY 986 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fpd h TYR 987 N 0.00 0.00 -1.61 1.61 -1.99 -1.86 -3.45 116.97 109.68 3fpd h TYR 987 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3fpd h TYR 987 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 3fpd h TYR 987 CO 0.00 0.00 -0.26 -1.21 -0.00 0.00 0.00 178.16 176.69 3fpd s GLU 988 N -3.39 2.87 0.42 4.88 0.41 -1.26 -4.93 118.70 117.70 3fpd s GLU 988 Ca 0.04 -1.15 0.22 0.00 -0.41 0.00 0.00 54.97 53.67 3fpd s GLU 988 Cb 0.09 -2.75 0.89 0.00 -1.78 0.00 0.00 34.13 30.58 3fpd s GLU 988 CO 0.51 -0.24 1.82 0.00 -0.49 0.00 0.00 175.26 176.87 3fpd h ARG 989 N 0.64 0.00 -4.73 1.61 3.08 -1.87 -3.43 114.38 109.69 3fpd h ARG 989 Ca -0.41 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.30 3fpd h ARG 989 Cb 1.28 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.09 3fpd h ARG 989 CO 0.47 0.28 -0.76 0.96 -1.07 0.00 0.00 179.97 179.85 3fpd s ILE 990 N -3.74 0.68 0.66 2.04 -5.25 -1.26 -5.10 121.20 109.23 3fpd s ILE 990 Ca -0.00 -0.85 -0.15 0.00 -0.99 0.00 0.00 60.65 58.66 3fpd s ILE 990 Cb 0.11 -0.66 0.00 0.00 2.95 0.00 0.00 42.46 44.86 3fpd s ILE 990 CO 0.65 -0.14 1.12 -2.16 -1.79 0.00 0.00 174.94 172.62 3fpd s PRO 991 N -1.09 2.75 -0.45 0.37 0.04 -1.26 -4.99 135.00 130.37 3fpd s PRO 991 Ca -0.04 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3fpd s PRO 991 Cb -0.07 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.66 3fpd s PRO 991 CO 0.01 -1.30 0.22 0.42 0.04 0.00 0.00 177.00 176.39 3fpd s ILE 992 N -2.28 1.80 0.93 0.56 1.01 -1.26 -4.67 121.20 117.29 3fpd s ILE 992 Ca 0.68 -2.71 -0.11 0.00 0.00 0.00 0.00 60.65 58.51 3fpd s ILE 992 Cb -0.22 -2.27 0.15 0.00 0.01 0.00 0.00 42.46 40.13 3fpd s ILE 992 CO 0.41 -0.83 1.10 -2.84 0.00 0.00 0.00 174.94 172.78 3fpd s PRO 993 N 0.27 0.99 -0.02 2.79 0.02 -1.25 -1.10 135.00 136.69 3fpd s PRO 993 Ca 0.16 1.08 0.04 0.00 0.02 0.00 0.00 61.00 62.31 3fpd s PRO 993 Cb -0.24 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3fpd s PRO 993 CO -0.02 -2.50 -0.14 0.00 -0.33 0.00 0.00 177.00 174.01 3fpd s VAL 995 N -0.17 0.50 -0.02 0.00 -7.23 -0.03 -1.67 120.40 111.78 3fpd s VAL 995 Ca 0.02 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3fpd s VAL 995 Cb -0.07 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.77 3fpd s VAL 995 CO 0.00 -0.67 -0.02 0.21 -0.31 0.00 0.00 175.10 174.30 3fpd s ASN 996 N -2.32 0.48 -0.00 4.85 3.84 -0.58 -2.11 114.94 119.10 3fpd s ASN 996 Ca 0.00 -0.06 0.10 0.00 0.21 0.00 0.00 52.86 53.11 3fpd s ASN 996 Cb -0.02 -0.16 0.16 0.00 -0.55 0.00 0.00 41.25 40.68 3fpd s ASN 996 CO -0.03 -0.02 1.07 0.00 -2.79 0.00 0.00 177.10 175.32 3fpd n ALA 997 N 3.57 3.24 0.00 1.71 0.00 -1.26 -0.03 120.51 127.74 3fpd n ALA 997 Ca -0.20 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.93 3fpd n ALA 997 Cb 0.54 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3fpd n ALA 997 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fpd n VAL 998 N 0.17 0.00 -2.69 0.00 0.31 -1.26 -4.78 118.33 110.08 3fpd n VAL 998 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3fpd n VAL 998 Cb 0.87 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 3fpd n VAL 998 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3fpd n ASP 999 N -2.78 0.00 -0.88 4.52 5.68 -1.26 -5.05 116.55 116.78 3fpd n ASP 999 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 3fpd n ASP 999 Cb 0.32 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.47 3fpd n ASP 999 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3fpd n SER 1000N 0.00 3.08 -4.71 -1.12 3.41 -1.26 -4.99 113.62 108.02 3fpd n SER 1000Ca 0.00 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 3fpd n SER 1000Cb 0.00 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 3fpd n SER 1000CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fpd n GLU 1001N 1.03 2.76 -1.88 4.33 -0.58 -1.26 -4.98 120.64 120.05 3fpd n GLU 1001Ca 0.15 1.00 -0.29 0.00 -0.42 0.00 0.00 57.16 57.59 3fpd n GLU 1001Cb 0.49 -2.84 0.08 0.00 -0.57 0.00 0.00 31.44 28.59 3fpd n GLU 1001CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3fpd s PRO 1002N 1.31 2.25 0.15 3.49 0.04 -1.26 -4.95 135.00 136.03 3fpd s PRO 1002Ca 0.76 0.25 -0.34 0.00 0.04 0.00 0.00 61.00 61.71 3fpd s PRO 1002Cb -0.51 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 31.91 3fpd s PRO 1002CO 0.33 -1.42 1.51 0.00 0.04 0.00 0.00 177.00 177.46 3fpd n PRO 1004N 3.10 1.58 0.00 0.00 -0.02 -1.26 -4.91 135.00 133.49 3fpd n PRO 1004Ca 0.17 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3fpd n PRO 1004Cb 0.27 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3fpd n PRO 1004CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fpd n SER 1005N 0.67 0.00 -2.12 2.55 3.41 -1.26 -4.92 113.62 111.95 3fpd n SER 1005Ca 0.08 -1.00 -0.18 0.00 -0.26 0.00 0.00 58.87 57.51 3fpd n SER 1005Cb 0.37 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3fpd n SER 1005CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fpd n ASN 1006N 0.00 6.14 -3.63 4.04 6.94 -1.26 -4.79 115.26 122.70 3fpd n ASN 1006Ca 0.00 -2.96 -0.01 0.00 -0.02 0.00 0.00 54.58 51.59 3fpd n ASN 1006Cb 0.40 -1.20 -0.00 0.00 -2.36 0.00 0.00 39.78 36.62 3fpd n ASN 1006CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3fpd s TYR 1007N -1.09 -0.04 -0.12 -2.53 -0.85 -1.26 -4.87 117.35 106.59 3fpd s TYR 1007Ca 0.46 -0.20 0.02 0.00 -0.52 0.00 0.00 57.07 56.84 3fpd s TYR 1007Cb 0.29 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 43.24 3fpd s TYR 1007CO -0.09 -0.61 -0.20 0.21 -1.52 0.00 0.00 175.55 173.34 3fpd s LYS 1008N -2.64 3.16 -0.11 -3.49 2.47 -0.23 -5.03 119.74 113.86 3fpd s LYS 1008Ca 0.17 -0.81 -0.28 0.00 -1.56 0.00 0.00 55.97 53.49 3fpd s LYS 1008Cb 0.01 -2.45 -0.02 0.00 -1.46 0.00 0.00 37.83 33.92 3fpd s LYS 1008CO 0.01 0.15 0.94 -0.47 0.16 0.00 0.00 175.35 176.14 3fpd s TYR 1009N 0.44 3.50 -0.04 4.03 5.04 -1.26 -2.45 117.35 126.62 3fpd s TYR 1009Ca -0.14 1.49 0.03 0.00 -2.44 0.00 0.00 57.07 56.01 3fpd s TYR 1009Cb -0.17 -3.12 0.01 0.00 0.35 0.00 0.00 41.96 39.03 3fpd s TYR 1009CO 0.06 -0.20 -0.10 0.14 -1.34 0.00 0.00 175.55 174.11 3fpd s VAL 1010N 1.91 0.92 -1.85 3.14 -7.23 -0.94 -4.93 120.40 111.42 3fpd s VAL 1010Ca 0.45 -0.41 0.28 0.00 -1.81 0.00 0.00 61.98 60.49 3fpd s VAL 1010Cb -0.18 -0.83 0.44 0.00 0.56 0.00 0.00 36.38 36.37 3fpd s VAL 1010CO 0.17 0.29 1.77 -1.54 -0.31 0.00 0.00 175.10 175.48 3fpd n SER 1011N 3.45 0.79 -4.01 4.85 3.41 -1.26 -3.24 113.62 117.61 3fpd n SER 1011Ca -0.20 -0.86 -0.09 0.00 -0.26 0.00 0.00 58.87 57.45 3fpd n SER 1011Cb 0.53 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 3fpd n SER 1011CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fpd s GLN 1012N -2.37 0.40 0.45 4.33 -0.21 -1.26 -4.98 119.66 116.02 3fpd s GLN 1012Ca 0.30 -0.74 -0.25 0.00 0.02 0.00 0.00 55.36 54.69 3fpd s GLN 1012Cb 0.20 0.05 -0.09 0.00 1.00 0.00 0.00 33.01 34.18 3fpd s GLN 1012CO 0.46 -0.04 1.41 0.09 -2.12 0.00 0.00 175.29 175.09 3fpd n ASN 1013N 1.31 3.22 -3.78 5.90 5.03 -1.26 -4.72 115.26 120.96 3fpd n ASN 1013Ca -0.22 1.12 -0.24 0.00 0.87 0.00 0.00 54.58 56.11 3fpd n ASN 1013Cb 0.56 -1.59 -0.08 0.00 -1.02 0.00 0.00 39.78 37.65 3fpd n ASN 1013CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fpd s VAL 1015N -3.25 0.13 0.00 0.00 -7.23 -1.26 -0.81 120.40 107.98 3fpd s VAL 1015Ca 0.28 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3fpd s VAL 1015Cb 0.02 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.82 3fpd s VAL 1015CO 0.20 -0.61 0.00 0.41 -0.31 0.00 0.00 175.10 174.79 3fpd n THR 1016N 0.32 0.00 -2.05 5.32 -1.04 -1.26 -4.96 114.28 110.61 3fpd n THR 1016Ca -0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 3fpd n THR 1016Cb 0.61 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 3fpd n THR 1016CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3fpd s SER 1017N -0.19 6.69 0.24 8.00 0.01 -1.26 -4.91 113.70 122.29 3fpd s SER 1017Ca 0.00 2.72 -0.31 0.00 1.31 0.00 0.00 55.95 59.67 3fpd s SER 1017Cb 0.00 -2.64 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 3fpd s SER 1017CO 0.00 -0.62 1.61 -0.81 0.41 0.00 0.00 173.24 173.83 3fpd n PRO 1018N 1.18 2.57 -4.25 12.44 -0.04 -1.26 -5.00 135.00 140.64 3fpd n PRO 1018Ca 0.02 0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 64.06 3fpd n PRO 1018Cb 0.41 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.06 3fpd n PRO 1018CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3fpd s MET 1019N 0.21 3.66 -0.04 0.54 -1.94 -1.26 -5.01 119.30 115.46 3fpd s MET 1019Ca 0.70 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 54.21 3fpd s MET 1019Cb -0.54 -3.00 -0.15 0.00 2.01 0.00 0.00 34.83 33.15 3fpd s MET 1019CO 0.42 0.35 3.02 0.27 -0.01 0.00 0.00 175.02 179.07 3fpd n ASN 1020N 3.26 5.41 -4.72 3.03 6.94 -1.26 -4.94 115.26 122.97 3fpd n ASN 1020Ca -0.17 -2.53 -0.42 0.00 -0.02 0.00 0.00 54.58 51.43 3fpd n ASN 1020Cb 0.53 -1.31 -0.03 0.00 -2.36 0.00 0.00 39.78 36.61 3fpd n ASN 1020CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3fpd s ILE 1021N 0.34 2.01 -0.30 1.53 1.01 -1.26 -4.89 121.20 119.64 3fpd s ILE 1021Ca 0.45 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 3fpd s ILE 1021Cb 0.23 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 3fpd s ILE 1021CO -0.02 0.00 1.38 -0.62 0.00 0.00 0.00 174.94 175.69 3fpd s ASP 1022N 1.09 6.57 0.00 3.58 2.15 -1.26 -4.84 116.67 123.96 3fpd s ASP 1022Ca 0.73 1.25 0.13 0.00 0.43 0.00 0.00 52.55 55.10 3fpd s ASP 1022Cb -0.50 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 39.82 3fpd s ASP 1022CO 0.34 -1.16 1.12 0.54 -0.17 0.00 0.00 175.17 175.84 3fpd n ARG 1023N 7.48 1.85 -1.57 4.34 5.12 -1.26 -4.65 116.66 127.97 3fpd n ARG 1023Ca 0.16 -1.73 -0.40 0.00 -1.93 0.00 0.00 57.85 53.94 3fpd n ARG 1023Cb 0.46 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3fpd n ARG 1023CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3fpd n ASN 1024N 0.75 2.72 0.28 0.55 2.85 -1.26 -4.81 115.26 116.34 3fpd n ASN 1024Ca 0.11 -0.12 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 3fpd n ASN 1024Cb 0.40 -1.55 0.86 0.00 1.24 0.00 0.00 39.78 40.73 3fpd n ASN 1024CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3fpd h ILE 1025N 7.42 0.12 -0.00 -1.44 2.10 -1.96 0.21 117.51 123.96 3fpd h ILE 1025Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3fpd h ILE 1025Cb 1.26 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 3fpd h ILE 1025CO 1.06 0.00 -0.19 0.35 -1.08 0.00 0.00 178.15 178.30 3fpd n THR 1026N -3.15 0.00 0.80 2.19 -2.24 -1.26 -3.22 114.28 107.39 3fpd n THR 1026Ca -0.00 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3fpd n THR 1026Cb 0.38 -0.02 0.19 0.00 -2.10 0.00 0.00 70.33 68.78 3fpd n THR 1026CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fpd n HIS 1027N -1.08 0.21 -2.12 4.78 8.25 0.74 -4.89 115.22 121.12 3fpd n HIS 1027Ca 0.11 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 3fpd n HIS 1027Cb 0.31 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 3fpd n HIS 1027CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fpd s LEU 1028N -3.52 4.41 0.08 2.41 1.43 -1.20 -4.96 118.68 117.33 3fpd s LEU 1028Ca 0.08 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 3fpd s LEU 1028Cb 0.16 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3fpd s LEU 1028CO 0.72 -0.59 0.42 -1.58 0.23 0.00 0.00 176.35 175.56 3fpd s GLN 1029N -0.62 3.81 0.23 1.70 2.00 -1.26 -5.08 119.66 120.44 3fpd s GLN 1029Ca 0.56 0.24 -0.16 0.00 -2.00 0.00 0.00 55.36 54.00 3fpd s GLN 1029Cb -0.39 -3.00 0.01 0.00 0.80 0.00 0.00 33.01 30.43 3fpd s GLN 1029CO 0.43 0.56 0.53 1.52 -0.50 0.00 0.00 175.29 177.84 3fpd s TYR 1030N -1.38 0.08 0.17 1.67 -0.85 -1.26 -4.94 117.35 110.84 3fpd s TYR 1030Ca 0.33 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.46 3fpd s TYR 1030Cb -0.14 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 3fpd s TYR 1030CO 0.18 -1.00 0.29 0.00 -1.52 0.00 0.00 175.55 173.50 3fpd n VAL 1032N -0.76 2.23 -1.22 0.00 0.24 -1.26 -1.81 118.33 115.75 3fpd n VAL 1032Ca -0.08 -3.34 -0.34 0.00 -2.04 0.00 0.00 64.34 58.54 3fpd n VAL 1032Cb 0.55 -0.33 0.12 0.00 -1.47 0.00 0.00 33.84 32.70 3fpd n VAL 1032CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpd n ILE 1034N -3.02 0.36 -1.87 0.00 -5.35 -1.26 -4.08 119.36 104.14 3fpd n ILE 1034Ca 0.14 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3fpd n ILE 1034Cb 0.50 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 3fpd n ILE 1034CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3fpd n ASP 1035N 0.03 0.27 -1.58 7.28 5.75 -1.26 -5.02 116.55 122.03 3fpd n ASP 1035Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.88 3fpd n ASP 1035Cb 0.16 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.59 3fpd n ASP 1035CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3fpd n ASP 1036N 0.00 4.69 -2.58 -1.12 5.75 -1.26 -4.69 116.55 117.35 3fpd n ASP 1036Ca 0.00 -2.58 -0.14 0.00 -0.01 0.00 0.00 54.79 52.06 3fpd n ASP 1036Cb 0.00 -0.60 0.06 0.00 -1.03 0.00 0.00 41.12 39.55 3fpd n ASP 1036CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fpd n SER 1038N -1.79 0.83 -4.89 0.00 7.64 -1.26 -4.63 113.62 109.53 3fpd n SER 1038Ca -0.06 -0.76 -0.29 0.00 1.01 0.00 0.00 58.87 58.77 3fpd n SER 1038Cb 0.56 1.13 -0.00 0.00 -1.01 0.00 0.00 64.21 64.89 3fpd n SER 1038CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fpd s SER 1039N -2.83 6.30 0.00 6.43 1.04 -1.26 -4.95 113.70 118.43 3fpd s SER 1039Ca 0.04 1.13 0.23 0.00 0.48 0.00 0.00 55.95 57.84 3fpd s SER 1039Cb 0.13 -2.34 1.39 0.00 0.10 0.00 0.00 66.02 65.30 3fpd s SER 1039CO 0.70 -0.65 1.76 -1.54 0.98 0.00 0.00 173.24 174.49 3fpd n SER 1040N -2.27 0.00 0.09 7.02 3.41 -1.26 -2.81 113.62 117.80 3fpd n SER 1040Ca 0.03 -0.73 0.12 0.00 -0.26 0.00 0.00 58.87 58.03 3fpd n SER 1040Cb 0.55 -0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.64 3fpd n SER 1040CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3fpd h ASN 1041N 0.00 0.00 -1.99 4.04 2.35 -1.99 -3.45 115.58 114.54 3fpd h ASN 1041Ca 0.00 -0.11 -0.59 0.00 -0.55 0.00 0.00 56.30 55.05 3fpd h ASN 1041Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3fpd h ASN 1041CO 0.00 0.06 1.37 0.00 -1.65 0.00 0.00 177.43 177.21 3fpd h MET 1043N 12.89 0.43 -0.91 0.00 4.05 -1.89 -0.99 114.93 128.51 3fpd h MET 1043Ca -0.43 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 58.98 3fpd h MET 1043Cb 1.25 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.91 3fpd h MET 1043CO 0.96 0.28 0.60 0.00 0.23 0.00 0.00 176.91 178.99 3fpd h GLY 1045N 1.22 1.00 1.01 0.00 0.00 -1.50 -2.26 103.07 102.54 3fpd h GLY 1045Ca 0.34 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.05 3fpd h GLY 1045CO -0.08 0.58 0.54 1.46 0.00 0.00 0.00 176.54 179.05 3fpd h GLN 1046N 0.84 1.08 0.00 4.80 4.20 -0.09 0.89 115.11 126.82 3fpd h GLN 1046Ca 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3fpd h GLN 1046Cb 0.34 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3fpd h GLN 1046CO 0.00 0.71 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.75 3fpd h LEU 1047N 1.11 0.00 -2.24 1.46 3.38 -0.37 0.21 115.31 118.86 3fpd h LEU 1047Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3fpd h LEU 1047Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fpd h LEU 1047CO -0.07 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.32 3fpd n SER 1048N -4.37 3.35 0.00 -0.43 7.64 -0.52 -4.80 113.62 114.48 3fpd n SER 1048Ca -0.03 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3fpd n SER 1048Cb 0.14 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3fpd n SER 1048CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3fpd n MET 1049N 0.92 0.00 0.00 1.43 2.81 0.74 -4.73 117.12 118.29 3fpd n MET 1049Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3fpd n MET 1049Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.10 3fpd n MET 1049CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3fpd n ARG 1050N 0.00 0.00 -2.20 0.03 -4.01 0.30 -4.58 116.66 106.19 3fpd n ARG 1050Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 3fpd n ARG 1050Cb 0.00 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.39 3fpd n ARG 1050CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3fpd n TRP 1052N 6.02 0.08 -3.78 0.00 7.02 -1.26 -4.92 117.44 120.60 3fpd n TRP 1052Ca 0.14 -0.04 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 3fpd n TRP 1052Cb 0.44 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 3fpd n TRP 1052CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3fpd s TYR 1053N -1.92 3.63 0.02 -5.99 2.02 -1.26 0.26 117.35 114.10 3fpd s TYR 1053Ca 0.35 0.64 -0.00 0.00 -0.37 0.00 0.00 57.07 57.68 3fpd s TYR 1053Cb 0.20 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3fpd s TYR 1053CO 0.31 0.70 0.02 -0.40 -1.57 0.00 0.00 175.55 174.61 3fpd n ASP 1054N 1.78 0.02 0.29 2.29 5.68 0.91 -4.88 116.55 122.64 3fpd n ASP 1054Ca -0.17 -1.02 0.14 0.00 -0.50 0.00 0.00 54.79 53.24 3fpd n ASP 1054Cb 0.54 -0.01 0.85 0.00 -1.14 0.00 0.00 41.12 41.35 3fpd n ASP 1054CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3fpd h LYS 1055N 0.00 0.00 -0.37 0.11 5.09 -1.97 -2.39 116.57 117.04 3fpd h LYS 1055Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 3fpd h LYS 1055Cb 0.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.35 3fpd h LYS 1055CO 0.01 0.03 0.00 -0.25 -2.09 0.00 0.00 179.45 177.14 3fpd n ASP 1056N -3.90 2.54 0.00 7.07 8.00 -1.26 -4.91 116.55 124.09 3fpd n ASP 1056Ca -0.03 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3fpd n ASP 1056Cb 0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3fpd n ASP 1056CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpd n GLY 1057N 1.29 0.50 3.85 0.44 0.00 -0.90 -5.04 105.19 105.33 3fpd n GLY 1057Ca 0.17 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3fpd n GLY 1057CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpd s ARG 1058N -0.87 3.11 0.26 1.61 0.52 -1.26 -4.56 118.95 117.76 3fpd s ARG 1058Ca 0.00 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 3fpd s ARG 1058Cb 0.00 -2.81 -0.10 0.00 0.52 0.00 0.00 34.95 32.56 3fpd s ARG 1058CO 0.00 0.54 1.32 -0.51 0.02 0.00 0.00 175.30 176.67 3fpd s LEU 1059N -2.83 4.42 0.59 2.53 1.43 -0.03 -0.06 118.68 124.73 3fpd s LEU 1059Ca 0.32 2.55 -0.19 0.00 -1.03 0.00 0.00 54.13 55.77 3fpd s LEU 1059Cb -0.11 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3fpd s LEU 1059CO 0.25 -0.54 1.23 -0.76 0.23 0.00 0.00 176.35 176.76 3fpd s LEU 1060N -0.80 3.70 0.39 1.79 1.43 0.14 -4.77 118.68 120.56 3fpd s LEU 1060Ca 0.54 2.46 0.11 0.00 -1.03 0.00 0.00 54.13 56.21 3fpd s LEU 1060Cb -0.38 -4.54 0.92 0.00 0.03 0.00 0.00 46.19 42.21 3fpd s LEU 1060CO 0.44 -1.60 1.92 -0.65 0.23 0.00 0.00 176.35 176.69 3fpd h PRO 1061N 0.99 0.55 -1.12 1.29 0.11 -1.94 -1.88 132.00 129.99 3fpd h PRO 1061Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3fpd h PRO 1061Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fpd h PRO 1061CO 0.55 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 3fpd n GLU 1062N -4.50 0.87 -3.31 1.05 0.00 -1.26 -4.78 120.64 108.71 3fpd n GLU 1062Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.91 3fpd n GLU 1062Cb 0.43 -1.08 -0.07 0.00 0.00 0.00 0.00 31.44 30.72 3fpd n GLU 1062CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3fpd s PHE 1063N 0.09 3.37 -1.03 -1.84 5.36 -0.71 -5.00 117.98 118.22 3fpd s PHE 1063Ca 0.00 0.70 -0.23 0.00 -0.96 0.00 0.00 56.93 56.44 3fpd s PHE 1063Cb 0.00 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 3fpd s PHE 1063CO 0.00 -0.07 1.77 1.21 -1.46 0.00 0.00 175.22 176.67 3fpd s ASN 1064N 1.13 5.75 0.44 6.13 3.84 -1.26 -4.81 114.94 126.16 3fpd s ASN 1064Ca 0.22 -1.30 0.11 0.00 0.21 0.00 0.00 52.86 52.10 3fpd s ASN 1064Cb -0.15 -2.57 1.00 0.00 -0.55 0.00 0.00 41.25 38.98 3fpd s ASN 1064CO 0.09 -2.22 2.08 0.24 -2.79 0.00 0.00 177.10 174.49 3fpd h MET 1065N 10.11 0.37 0.00 0.43 2.86 -1.94 -1.25 114.93 125.52 3fpd h MET 1065Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3fpd h MET 1065Cb 0.98 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3fpd h MET 1065CO 1.31 0.24 0.00 0.00 1.06 0.00 0.00 176.91 179.53 3fpd h ALA 1066N 1.81 1.00 -0.60 6.32 0.00 -2.02 -3.38 119.26 122.39 3fpd h ALA 1066Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 3fpd h ALA 1066Cb 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.62 3fpd h ALA 1066CO -0.03 0.00 -0.64 -1.91 0.00 0.00 0.00 179.25 176.67 3fpd n GLU 1067N -2.32 0.73 -1.75 0.00 2.13 -0.73 -5.15 120.64 113.55 3fpd n GLU 1067Ca 0.05 -2.13 -0.42 0.00 0.66 0.00 0.00 57.16 55.32 3fpd n GLU 1067Cb 0.41 -1.42 -0.01 0.00 0.27 0.00 0.00 31.44 30.70 3fpd n GLU 1067CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3fpd n PRO 1068N 1.74 2.55 -2.18 5.31 -0.02 -0.55 -4.72 135.00 137.12 3fpd n PRO 1068Ca 0.13 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.24 3fpd n PRO 1068Cb 0.60 -2.61 0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3fpd n PRO 1068CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fpd s PRO 1069N -1.64 1.79 0.07 0.52 0.04 -1.26 -4.95 135.00 129.57 3fpd s PRO 1069Ca 0.57 -0.39 -0.24 0.00 0.04 0.00 0.00 61.00 60.98 3fpd s PRO 1069Cb -0.51 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 3fpd s PRO 1069CO 0.60 -1.53 0.72 -0.51 0.04 0.00 0.00 177.00 176.32 3fpd s LEU 1070N -5.38 4.48 -0.21 -3.56 1.43 -1.26 -4.55 118.68 109.62 3fpd s LEU 1070Ca 0.64 1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 3fpd s LEU 1070Cb -0.09 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 3fpd s LEU 1070CO 0.47 0.10 0.10 -0.63 0.23 0.00 0.00 176.35 176.61 3fpd s ILE 1071N -0.41 4.93 -0.41 -0.59 1.01 -0.49 -4.52 121.20 120.72 3fpd s ILE 1071Ca 0.36 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 3fpd s ILE 1071Cb -0.21 -3.26 0.10 0.00 0.01 0.00 0.00 42.46 39.10 3fpd s ILE 1071CO 0.22 0.40 0.21 -0.36 0.00 0.00 0.00 174.94 175.42 3fpd s PHE 1072N 0.79 3.48 0.50 3.97 0.08 -1.26 -0.77 117.98 124.77 3fpd s PHE 1072Ca 0.05 -2.10 -0.13 0.00 0.12 0.00 0.00 56.93 54.87 3fpd s PHE 1072Cb -0.13 -3.09 -0.06 0.00 -0.57 0.00 0.00 43.02 39.17 3fpd s PHE 1072CO 0.02 -0.93 0.92 -1.21 -0.10 0.00 0.00 175.22 173.92 3fpd s GLU 1073N 1.24 3.80 0.59 0.44 2.02 -0.65 -4.62 118.70 121.53 3fpd s GLU 1073Ca 0.05 0.73 -0.20 0.00 0.02 0.00 0.00 54.97 55.57 3fpd s GLU 1073Cb -0.23 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3fpd s GLU 1073CO -0.02 -0.27 1.34 0.00 0.02 0.00 0.00 175.26 176.33 3fpd n ASN 1075N -1.40 2.03 0.04 0.00 0.23 -1.26 -4.90 115.26 110.00 3fpd n ASN 1075Ca 0.13 -2.99 0.04 0.00 -0.53 0.00 0.00 54.58 51.22 3fpd n ASN 1075Cb 0.46 0.69 0.19 0.00 -2.08 0.00 0.00 39.78 39.04 3fpd n ASN 1075CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fpd n HIS 1076N -0.96 0.19 0.20 -2.53 1.44 -1.26 -1.47 115.22 110.83 3fpd n HIS 1076Ca -0.11 0.10 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 3fpd n HIS 1076Cb 0.57 -0.65 0.05 0.00 0.12 0.00 0.00 29.99 30.07 3fpd n HIS 1076CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3fpd h ALA 1077N 2.08 0.56 -2.67 1.59 0.00 -1.95 -3.47 119.26 115.41 3fpd h ALA 1077Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3fpd h ALA 1077Cb 0.05 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.92 3fpd h ALA 1077CO 0.00 0.00 0.46 0.00 0.00 0.00 0.00 179.25 179.71 3fpd n SER 1079N -1.07 0.10 -4.63 0.00 7.64 -0.75 -4.87 113.62 110.05 3fpd n SER 1079Ca 0.10 0.51 -0.29 0.00 1.01 0.00 0.00 58.87 60.21 3fpd n SER 1079Cb 0.50 -0.54 0.17 0.00 -1.01 0.00 0.00 64.21 63.33 3fpd n SER 1079CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fpd s TRP 1081N -3.07 3.48 -0.64 0.00 0.52 -1.26 -4.96 118.94 113.01 3fpd s TRP 1081Ca 0.66 0.84 0.14 0.00 0.02 0.00 0.00 56.10 57.76 3fpd s TRP 1081Cb -0.17 -2.51 0.69 0.00 -1.15 0.00 0.00 33.47 30.34 3fpd s TRP 1081CO 0.56 -0.52 1.44 -2.13 0.02 0.00 0.00 176.95 176.33 3fpd n ARG 1082N -2.44 0.08 -0.46 4.98 3.00 -1.26 -1.97 116.66 118.60 3fpd n ARG 1082Ca 0.03 0.48 0.08 0.00 -0.00 0.00 0.00 57.85 58.44 3fpd n ARG 1082Cb 0.56 -1.72 0.26 0.00 0.00 0.00 0.00 32.46 31.56 3fpd n ARG 1082CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3fpd n ASN 1083N -1.90 3.99 -4.51 6.15 2.04 -1.26 -4.99 115.26 114.78 3fpd n ASN 1083Ca 0.01 -2.70 -0.28 0.00 -0.44 0.00 0.00 54.58 51.16 3fpd n ASN 1083Cb 0.09 -0.49 0.24 0.00 -2.53 0.00 0.00 39.78 37.09 3fpd n ASN 1083CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3fpd h ARG 1085N -2.55 0.56 -1.93 0.00 2.43 -1.36 -3.31 114.38 108.22 3fpd h ARG 1085Ca -0.60 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.21 3fpd h ARG 1085Cb 1.33 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.74 3fpd h ARG 1085CO 0.50 0.65 -0.02 -1.71 -1.51 0.00 0.00 179.97 177.88 3fpd n ASN 1086N -4.21 5.67 -3.54 -3.80 5.15 -1.26 -4.70 115.26 108.57 3fpd n ASN 1086Ca 0.01 -2.67 -0.18 0.00 -0.60 0.00 0.00 54.58 51.14 3fpd n ASN 1086Cb 0.31 -1.25 -0.13 0.00 -0.53 0.00 0.00 39.78 38.18 3fpd n ASN 1086CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3fpd s ARG 1087N -0.18 0.16 0.26 1.20 0.52 -1.25 -0.92 118.95 118.74 3fpd s ARG 1087Ca 0.40 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 3fpd s ARG 1087Cb 0.22 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.73 3fpd s ARG 1087CO -0.04 -0.56 0.00 0.28 0.02 0.00 0.00 175.30 175.00 3fpd n VAL 1088N 5.32 0.13 -0.34 3.52 0.31 -1.26 -4.85 118.33 121.16 3fpd n VAL 1088Ca -0.05 0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3fpd n VAL 1088Cb 0.50 -0.59 0.17 0.00 -0.91 0.00 0.00 33.84 33.00 3fpd n VAL 1088CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3fpd h VAL 1089N 0.00 1.17 0.00 2.52 2.07 -1.95 -1.51 116.25 118.55 3fpd h VAL 1089Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3fpd h VAL 1089Cb 0.00 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.63 3fpd h VAL 1089CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3fpd n GLN 1090N -4.43 0.02 -0.04 1.57 10.64 -1.26 -1.26 117.38 122.61 3fpd n GLN 1090Ca 0.13 0.46 0.13 0.00 -1.83 0.00 0.00 57.00 55.88 3fpd n GLN 1090Cb 0.09 -1.54 0.41 0.00 -0.86 0.00 0.00 30.24 28.33 3fpd n GLN 1090CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fpd n ASN 1091N -1.58 1.87 -0.27 2.61 3.02 -0.57 -5.05 115.26 115.29 3fpd n ASN 1091Ca 0.01 -1.66 0.01 0.00 -0.03 0.00 0.00 54.58 52.91 3fpd n ASN 1091Cb 0.04 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3fpd n ASN 1091CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpd n GLY 1092N 1.21 -1.93 3.71 7.41 0.00 -0.39 -4.87 105.19 110.33 3fpd n GLY 1092Ca 0.18 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3fpd n GLY 1092CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fpd s LEU 1093N 0.00 4.37 -0.00 0.99 2.96 -1.26 -4.91 118.68 120.83 3fpd s LEU 1093Ca 0.00 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 3fpd s LEU 1093Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3fpd s LEU 1093CO 0.00 -0.83 0.70 0.54 -1.32 0.00 0.00 176.35 175.44 3fpd n ARG 1094N 4.16 1.09 -4.82 1.98 1.74 -1.26 -4.34 116.66 115.21 3fpd n ARG 1094Ca 0.14 -0.89 -0.33 0.00 -0.77 0.00 0.00 57.85 56.00 3fpd n ARG 1094Cb 0.39 -0.69 -0.13 0.00 -1.02 0.00 0.00 32.46 31.01 3fpd n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fpd s ALA 1095N -0.39 2.72 -0.76 7.54 0.00 -1.26 -5.06 121.76 124.54 3fpd s ALA 1095Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 3fpd s ALA 1095Cb 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.11 3fpd s ALA 1095CO 0.00 0.52 1.26 1.03 0.00 0.00 0.00 175.76 178.57 3fpd s ARG 1096N -0.60 3.22 0.56 0.00 0.52 -1.26 -4.98 118.95 116.41 3fpd s ARG 1096Ca 0.09 -0.40 0.09 0.00 -0.52 0.00 0.00 55.73 54.99 3fpd s ARG 1096Cb -0.11 -4.30 0.08 0.00 0.52 0.00 0.00 34.95 31.14 3fpd s ARG 1096CO 0.01 -2.12 0.77 -0.51 0.02 0.00 0.00 175.30 173.47 3fpd s LEU 1097N 5.47 3.17 -0.27 2.53 1.43 -1.26 0.13 118.68 129.88 3fpd s LEU 1097Ca 0.35 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3fpd s LEU 1097Cb -0.08 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.44 3fpd s LEU 1097CO 0.12 -1.28 0.67 -1.58 0.23 0.00 0.00 176.35 174.51 3fpd s GLN 1098N -4.64 0.69 -0.21 1.70 0.74 0.32 -4.36 119.66 113.91 3fpd s GLN 1098Ca 0.61 1.19 -0.24 0.00 0.05 0.00 0.00 55.36 56.97 3fpd s GLN 1098Cb -0.06 0.13 -0.01 0.00 1.10 0.00 0.00 33.01 34.17 3fpd s GLN 1098CO 0.38 -0.15 0.80 -1.17 -0.55 0.00 0.00 175.29 174.60 3fpd s LEU 1099N 1.59 4.13 0.10 3.68 2.96 -0.06 -1.27 118.68 129.81 3fpd s LEU 1099Ca -0.10 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3fpd s LEU 1099Cb -0.05 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3fpd s LEU 1099CO -0.19 -0.43 -0.07 -0.72 -1.32 0.00 0.00 176.35 173.62 3fpd s TYR 1100N 2.42 0.92 -0.19 5.38 -0.85 -0.08 -0.85 117.35 124.10 3fpd s TYR 1100Ca 0.35 -0.88 -0.21 0.00 -0.52 0.00 0.00 57.07 55.82 3fpd s TYR 1100Cb -0.16 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 3fpd s TYR 1100CO 0.10 -0.12 0.62 0.50 -1.52 0.00 0.00 175.55 175.13 3fpd s ARG 1101N -3.69 4.22 0.42 -3.49 6.06 -0.90 -0.36 118.95 121.21 3fpd s ARG 1101Ca 0.11 0.61 -0.02 0.00 -2.50 0.00 0.00 55.73 53.94 3fpd s ARG 1101Cb 0.04 -3.57 0.09 0.00 0.06 0.00 0.00 34.95 31.57 3fpd s ARG 1101CO -0.04 -0.21 0.57 0.25 -2.50 0.00 0.00 175.30 173.37 3fpd n THR 1102N 4.63 0.00 0.00 4.11 -2.24 0.41 -4.65 114.28 116.55 3fpd n THR 1102Ca -0.02 -0.78 -0.21 0.00 -2.27 0.00 0.00 64.05 60.77 3fpd n THR 1102Cb 0.50 -1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 67.34 3fpd n THR 1102CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fpd n ARG 1103N -2.09 0.75 -0.05 -0.78 0.00 -1.26 -4.49 116.66 108.74 3fpd n ARG 1103Ca 0.09 0.27 -0.10 0.00 -0.00 0.00 0.00 57.85 58.11 3fpd n ARG 1103Cb 0.31 -1.71 -0.04 0.00 -0.00 0.00 0.00 32.46 31.03 3fpd n ARG 1103CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3fpd n ASP 1104N -3.51 1.37 0.00 2.89 5.75 -1.26 -4.71 116.55 117.09 3fpd n ASP 1104Ca -0.32 0.08 0.11 0.00 -0.01 0.00 0.00 54.79 54.64 3fpd n ASP 1104Cb 1.04 -0.26 0.62 0.00 -1.03 0.00 0.00 41.12 41.49 3fpd n ASP 1104CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3fpd n MET 1105N -3.28 0.96 0.00 0.11 2.81 -1.26 -5.00 117.12 111.45 3fpd n MET 1105Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 3fpd n MET 1105Cb 0.65 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 3fpd n MET 1105CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fpd n GLY 1106N 0.77 1.11 3.79 3.03 0.00 -1.26 -4.83 105.19 107.81 3fpd n GLY 1106Ca 0.16 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 3fpd n GLY 1106CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fpd s TRP 1107N 0.00 3.71 0.30 1.61 0.52 -1.26 0.16 118.94 123.98 3fpd s TRP 1107Ca 0.00 1.70 -0.00 0.00 0.02 0.00 0.00 56.10 57.82 3fpd s TRP 1107Cb 0.00 -2.85 -0.02 0.00 -1.15 0.00 0.00 33.47 29.45 3fpd s TRP 1107CO 0.00 0.27 0.35 0.20 0.02 0.00 0.00 176.95 177.79 3fpd s GLY 1108N -1.57 1.65 -0.02 0.98 0.00 0.51 -4.79 107.32 104.09 3fpd s GLY 1108Ca 0.47 -1.66 0.06 0.00 0.00 0.00 0.00 44.72 43.59 3fpd s GLY 1108CO 0.24 -1.18 -0.20 0.14 0.00 0.00 0.00 173.10 172.10 3fpd s VAL 1109N -3.47 1.55 0.09 1.40 1.01 -1.23 -0.90 120.40 118.84 3fpd s VAL 1109Ca 0.34 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3fpd s VAL 1109Cb 0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3fpd s VAL 1109CO 0.20 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.69 3fpd s ARG 1110N -0.44 0.79 -0.23 2.72 1.70 -0.40 -0.43 118.95 122.66 3fpd s ARG 1110Ca 0.07 -1.32 -0.12 0.00 -0.47 0.00 0.00 55.73 53.89 3fpd s ARG 1110Cb -0.08 -0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.19 3fpd s ARG 1110CO -0.01 -0.06 0.23 0.45 -1.08 0.00 0.00 175.30 174.83 3fpd s SER 1111N -3.01 6.19 -0.03 -2.89 0.15 -0.81 -0.52 113.70 112.78 3fpd s SER 1111Ca 0.12 0.21 0.02 0.00 0.70 0.00 0.00 55.95 57.00 3fpd s SER 1111Cb 0.06 -2.14 0.12 0.00 -1.71 0.00 0.00 66.02 62.35 3fpd s SER 1111CO -0.06 0.02 0.70 0.18 1.20 0.00 0.00 173.24 175.28 3fpd n LEU 1112N 4.39 1.67 -3.65 3.45 4.77 0.12 0.97 117.00 128.72 3fpd n LEU 1112Ca -0.13 -0.84 -0.09 0.00 -0.03 0.00 0.00 56.01 54.91 3fpd n LEU 1112Cb 0.52 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3fpd n LEU 1112CO 0.36 0.30 0.43 0.00 -1.33 0.00 0.00 177.39 177.16 3fpd s GLN 1113N -1.28 1.54 0.19 3.23 -2.07 -1.26 -4.81 119.66 115.21 3fpd s GLN 1113Ca 0.08 -0.74 -0.30 0.00 -1.82 0.00 0.00 55.36 52.58 3fpd s GLN 1113Cb 0.06 0.60 -0.08 0.00 -1.09 0.00 0.00 33.01 32.50 3fpd s GLN 1113CO 0.02 -0.69 1.09 -0.51 -1.32 0.00 0.00 175.29 173.88 3fpd s ASP 1114N -2.84 7.28 -0.19 12.60 1.01 -1.26 -3.40 116.67 129.87 3fpd s ASP 1114Ca 0.06 2.11 0.01 0.00 0.71 0.00 0.00 52.55 55.44 3fpd s ASP 1114Cb -0.04 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3fpd s ASP 1114CO -0.03 -0.20 -0.18 -0.63 0.21 0.00 0.00 175.17 174.34 3fpd s ILE 1115N -0.39 2.12 0.72 0.77 1.01 0.47 -4.94 121.20 120.97 3fpd s ILE 1115Ca 0.48 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 3fpd s ILE 1115Cb -0.30 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.28 3fpd s ILE 1115CO 0.36 0.47 1.14 -2.84 0.00 0.00 0.00 174.94 174.06 3fpd s PRO 1116N 1.27 2.34 0.72 2.79 0.02 -1.26 -0.60 135.00 140.29 3fpd s PRO 1116Ca 0.03 1.47 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 3fpd s PRO 1116Cb -0.14 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.53 3fpd s PRO 1116CO -0.12 -1.62 1.22 -1.25 -0.33 0.00 0.00 177.00 174.90 3fpd s PRO 1117N -4.24 2.16 -0.75 5.54 0.04 -1.22 -2.87 135.00 133.66 3fpd s PRO 1117Ca 0.68 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3fpd s PRO 1117Cb -0.22 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3fpd s PRO 1117CO 0.47 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 176.08 3fpd n GLY 1118N 0.48 0.85 3.82 0.56 0.00 0.15 -4.70 105.19 106.36 3fpd n GLY 1118Ca 0.14 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3fpd n GLY 1118CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpd s THR 1119N -2.02 4.77 -0.02 2.61 2.01 -1.14 -0.85 115.64 121.00 3fpd s THR 1119Ca 0.00 1.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.77 3fpd s THR 1119Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3fpd s THR 1119CO 0.00 0.41 1.15 0.12 -0.69 0.00 0.00 174.62 175.60 3fpd s PHE 1120N -1.28 3.37 -0.12 4.92 5.36 -1.26 -1.19 117.98 127.77 3fpd s PHE 1120Ca 0.34 1.35 -0.13 0.00 -0.96 0.00 0.00 56.93 57.53 3fpd s PHE 1120Cb -0.17 -3.35 -0.05 0.00 -0.34 0.00 0.00 43.02 39.10 3fpd s PHE 1120CO 0.19 -0.99 -0.26 0.28 -1.46 0.00 0.00 175.22 172.99 3fpd n VAL 1121N 4.30 1.37 -3.44 3.12 0.31 -0.11 -4.79 118.33 119.10 3fpd n VAL 1121Ca 0.09 0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.43 3fpd n VAL 1121Cb 0.47 -2.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 3fpd n VAL 1121CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fpd s GLU 1123N -3.71 3.55 -0.69 0.00 2.12 -1.26 -0.02 118.70 118.69 3fpd s GLU 1123Ca 0.02 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 54.89 3fpd s GLU 1123Cb -0.01 -2.90 0.08 0.00 0.26 0.00 0.00 34.13 31.56 3fpd s GLU 1123CO -0.12 0.50 0.95 -0.47 -0.54 0.00 0.00 175.26 175.58 3fpd s TYR 1124N -1.66 2.77 -0.18 5.30 5.04 0.89 -4.53 117.35 124.98 3fpd s TYR 1124Ca 0.39 -0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 54.23 3fpd s TYR 1124Cb -0.12 -4.26 -0.04 0.00 0.35 0.00 0.00 41.96 37.89 3fpd s TYR 1124CO 0.26 -1.59 0.07 0.08 -1.34 0.00 0.00 175.55 173.04 3fpd s VAL 1125N 3.72 4.90 0.00 3.14 1.01 -1.26 -4.52 120.40 127.39 3fpd s VAL 1125Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3fpd s VAL 1125Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3fpd s VAL 1125CO 0.07 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3fpd n GLY 1126N 3.43 3.08 3.75 4.51 0.00 -1.26 -2.05 105.19 116.66 3fpd n GLY 1126Ca -0.17 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3fpd n GLY 1126CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fpd s GLU 1127N 1.67 4.18 -0.29 1.61 2.12 -0.28 -1.88 118.70 125.83 3fpd s GLU 1127Ca 0.00 0.26 -0.23 0.00 0.36 0.00 0.00 54.97 55.37 3fpd s GLU 1127Cb 0.00 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 3fpd s GLU 1127CO 0.00 0.33 0.74 -1.17 -0.54 0.00 0.00 175.26 174.62 3fpd s LEU 1128N 0.14 4.09 0.13 2.70 2.96 0.01 -0.57 118.68 128.15 3fpd s LEU 1128Ca 0.21 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3fpd s LEU 1128Cb -0.14 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 3fpd s LEU 1128CO 0.08 -0.54 -0.08 0.27 -1.32 0.00 0.00 176.35 174.76 3fpd s ILE 1129N 2.81 0.96 0.76 6.68 -4.36 -0.82 -4.51 121.20 122.72 3fpd s ILE 1129Ca 0.31 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.57 3fpd s ILE 1129Cb -0.15 -1.83 0.05 0.00 1.25 0.00 0.00 42.46 41.78 3fpd s ILE 1129CO 0.11 -0.76 1.10 -0.94 0.24 0.00 0.00 174.94 174.69 3fpd s SER 1130N -3.13 4.87 0.11 4.36 1.04 -1.26 -1.81 113.70 117.89 3fpd s SER 1130Ca 0.16 1.20 -0.23 0.00 0.48 0.00 0.00 55.95 57.56 3fpd s SER 1130Cb 0.04 -1.95 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 3fpd s SER 1130CO -0.01 -1.71 1.69 -0.78 0.98 0.00 0.00 173.24 173.41 3fpd h ASP 1131N -0.91 -0.34 -0.59 7.02 -0.00 -1.72 -0.61 116.42 119.28 3fpd h ASP 1131Ca -0.46 0.05 0.01 0.00 -0.00 0.00 0.00 57.03 56.63 3fpd h ASP 1131Cb 1.27 0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 40.71 3fpd h ASP 1131CO 0.62 -0.16 0.39 0.77 -0.00 0.00 0.00 179.24 180.85 3fpd h SER 1132N -0.18 0.66 -0.30 2.28 4.64 -1.94 -0.07 113.55 118.65 3fpd h SER 1132Ca 0.05 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3fpd h SER 1132Cb 0.25 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3fpd h SER 1132CO -0.13 0.48 0.23 -0.08 -0.87 0.00 0.00 176.83 176.45 3fpd h GLU 1133N 0.79 0.00 0.00 4.77 4.57 -1.77 0.30 114.58 123.23 3fpd h GLU 1133Ca 0.22 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 3fpd h GLU 1133Cb -0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3fpd h GLU 1133CO -0.06 0.00 -0.64 0.00 -1.18 0.00 0.00 179.01 177.13 3fpd h ALA 1134N 1.83 0.92 0.00 2.92 0.00 0.55 -3.08 119.26 122.40 3fpd h ALA 1134Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3fpd h ALA 1134Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fpd h ALA 1134CO -0.00 0.80 0.00 -0.25 0.00 0.00 0.00 179.25 179.80 3fpd n ASP 1135N -3.75 0.00 -0.69 0.00 8.00 0.10 -3.39 116.55 116.83 3fpd n ASP 1135Ca -0.01 -0.68 0.06 0.00 0.71 0.00 0.00 54.79 54.87 3fpd n ASP 1135Cb 0.64 -0.07 0.18 0.00 -0.02 0.00 0.00 41.12 41.85 3fpd n ASP 1135CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fpd n VAL 1136N -1.07 1.89 -4.43 2.53 0.24 -1.16 -5.00 118.33 111.33 3fpd n VAL 1136Ca 0.19 -2.88 -0.32 0.00 -2.04 0.00 0.00 64.34 59.28 3fpd n VAL 1136Cb 0.12 -0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.26 3fpd n VAL 1136CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fpd s ARG 1137N -2.77 2.90 0.02 7.34 0.52 -1.22 -5.04 118.95 120.70 3fpd s ARG 1137Ca 0.37 -0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 54.68 3fpd s ARG 1137Cb 0.37 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 3fpd s ARG 1137CO -0.08 -0.10 1.14 1.05 0.02 0.00 0.00 175.30 177.34 3fpd h GLU 1138N 7.58 -0.30 -6.26 3.54 4.11 -1.94 -3.39 114.58 117.91 3fpd h GLU 1138Ca -0.37 0.02 -0.56 0.00 0.07 0.00 0.00 59.36 58.52 3fpd h GLU 1138Cb 1.17 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3fpd h GLU 1138CO 0.58 -0.20 1.03 -2.00 0.07 0.00 0.00 179.01 178.49 3fpd s GLU 1139N -3.75 4.00 -0.08 1.06 2.56 -1.26 -4.87 118.70 116.36 3fpd s GLU 1139Ca -0.05 1.69 0.16 0.00 0.00 0.00 0.00 54.97 56.77 3fpd s GLU 1139Cb 0.01 -3.93 0.33 0.00 2.00 0.00 0.00 34.13 32.54 3fpd s GLU 1139CO 0.15 -1.03 1.15 -0.40 -0.56 0.00 0.00 175.26 174.58 3fpd n ASP 1140N 7.58 1.23 -0.05 -1.70 5.75 -1.26 -4.77 116.55 123.34 3fpd n ASP 1140Ca 0.17 -2.74 0.13 0.00 -0.01 0.00 0.00 54.79 52.33 3fpd n ASP 1140Cb 0.45 -0.37 0.37 0.00 -1.03 0.00 0.00 41.12 40.54 3fpd n ASP 1140CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3fpd n SER 1141N -0.36 0.48 -2.07 -1.12 7.64 -1.26 -3.98 113.62 112.95 3fpd n SER 1141Ca 0.10 -0.24 -0.26 0.00 1.01 0.00 0.00 58.87 59.49 3fpd n SER 1141Cb 0.86 0.06 0.03 0.00 -1.01 0.00 0.00 64.21 64.15 3fpd n SER 1141CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3fpd n TYR 1142N -1.32 2.82 -4.40 1.43 4.01 -1.26 -5.04 117.16 113.41 3fpd n TYR 1142Ca 0.08 -2.34 -0.32 0.00 -0.16 0.00 0.00 57.90 55.16 3fpd n TYR 1142Cb 0.33 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.78 3fpd n TYR 1142CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fpd s LEU 1143N -3.63 3.25 -0.12 7.72 1.43 -1.26 -0.66 118.68 125.41 3fpd s LEU 1143Ca 0.53 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3fpd s LEU 1143Cb 0.42 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3fpd s LEU 1143CO 0.03 0.27 -0.04 0.12 0.23 0.00 0.00 176.35 176.97 3fpd s PHE 1144N -1.04 1.25 0.21 0.29 5.36 -0.55 -4.95 117.98 118.54 3fpd s PHE 1144Ca 0.18 -0.67 -0.30 0.00 -0.96 0.00 0.00 56.93 55.19 3fpd s PHE 1144Cb -0.11 -1.10 -0.08 0.00 -0.34 0.00 0.00 43.02 41.38 3fpd s PHE 1144CO 0.09 -0.49 0.94 -0.51 -1.46 0.00 0.00 175.22 173.78 3fpd s ASP 1145N 1.78 7.61 -0.67 6.13 1.01 -1.26 -0.86 116.67 130.42 3fpd s ASP 1145Ca 0.03 1.90 0.03 0.00 0.71 0.00 0.00 52.55 55.23 3fpd s ASP 1145Cb -0.14 -2.60 0.36 0.00 1.01 0.00 0.00 42.92 41.56 3fpd s ASP 1145CO -0.07 0.11 1.34 0.18 0.21 0.00 0.00 175.17 176.94 3fpd n LEU 1146N 1.78 5.60 -4.66 1.23 4.77 0.23 -4.96 117.00 120.98 3fpd n LEU 1146Ca -0.01 -5.35 -0.41 0.00 -0.03 0.00 0.00 56.01 50.21 3fpd n LEU 1146Cb 0.48 -0.73 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3fpd n LEU 1146CO 0.50 2.17 0.74 0.47 -1.33 0.00 0.00 177.39 179.94 3fpd n ASP 1147N -0.33 1.87 -3.78 -1.43 10.43 -1.26 -3.75 116.55 118.30 3fpd n ASP 1147Ca 0.40 1.04 -0.13 0.00 2.57 0.00 0.00 54.79 58.68 3fpd n ASP 1147Cb 0.42 -1.43 -0.14 0.00 1.84 0.00 0.00 41.12 41.81 3fpd n ASP 1147CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3fpd s ASN 1148N -0.70 -0.11 0.00 -2.24 0.02 -1.26 -5.00 114.94 105.64 3fpd s ASN 1148Ca 0.64 0.27 0.04 0.00 -1.02 0.00 0.00 52.86 52.79 3fpd s ASN 1148Cb -0.52 0.20 0.26 0.00 0.02 0.00 0.00 41.25 41.21 3fpd s ASN 1148CO 0.56 -0.11 0.62 0.29 0.02 0.00 0.00 177.10 178.48 3fpd n LYS 1149N 3.75 0.30 -0.00 -0.60 4.01 -1.26 -1.67 118.16 122.68 3fpd n LYS 1149Ca -0.21 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.73 3fpd n LYS 1149Cb 0.54 -1.23 0.54 0.00 -0.51 0.00 0.00 35.03 34.38 3fpd n LYS 1149CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3fpd n ASP 1150N -0.73 1.46 0.00 4.39 8.00 -1.26 -4.90 116.55 123.51 3fpd n ASP 1150Ca 0.03 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.05 3fpd n ASP 1150Cb 0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3fpd n ASP 1150CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpd n GLY 1151N 1.17 1.97 3.56 0.44 0.00 -0.67 -4.89 105.19 106.76 3fpd n GLY 1151Ca 0.19 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3fpd n GLY 1151CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fpd s GLU 1152N 0.00 2.28 -0.10 1.61 1.03 -1.26 -4.91 118.70 117.35 3fpd s GLU 1152Ca 0.00 0.21 0.01 0.00 0.03 0.00 0.00 54.97 55.22 3fpd s GLU 1152Cb 0.00 -4.84 -0.02 0.00 -0.80 0.00 0.00 34.13 28.47 3fpd s GLU 1152CO 0.00 -3.54 -0.12 0.08 -1.33 0.00 0.00 175.26 170.35 3fpd s VAL 1153N 11.31 3.20 0.19 1.83 1.01 -1.26 -4.15 120.40 132.53 3fpd s VAL 1153Ca 0.78 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3fpd s VAL 1153Cb -0.10 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3fpd s VAL 1153CO 0.07 0.55 0.01 -0.31 0.00 0.00 0.00 175.10 175.43 3fpd s TYR 1154N -0.17 1.27 0.18 5.22 2.02 -1.25 -1.85 117.35 122.78 3fpd s TYR 1154Ca 0.00 -1.03 -0.00 0.00 -0.37 0.00 0.00 57.07 55.67 3fpd s TYR 1154Cb -0.13 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3fpd s TYR 1154CO 0.03 -0.21 0.08 0.00 -1.57 0.00 0.00 175.55 173.88 3fpd s ILE 1156N -3.96 2.50 -0.34 0.00 1.01 -0.03 -1.94 121.20 118.45 3fpd s ILE 1156Ca 0.31 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3fpd s ILE 1156Cb 0.07 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.31 3fpd s ILE 1156CO 0.07 0.27 0.17 -0.62 0.00 0.00 0.00 174.94 174.83 3fpd s ASP 1157N 1.28 5.60 -0.02 3.58 2.15 0.27 -1.49 116.67 128.04 3fpd s ASP 1157Ca 0.00 -0.74 0.19 0.00 0.43 0.00 0.00 52.55 52.44 3fpd s ASP 1157Cb -0.16 -2.00 0.59 0.00 -0.30 0.00 0.00 42.92 41.04 3fpd s ASP 1157CO -0.07 -0.27 1.49 0.00 -0.17 0.00 0.00 175.17 176.14 3fpd n ALA 1158N 4.98 2.50 0.35 3.66 0.00 0.16 -1.12 120.51 131.03 3fpd n ALA 1158Ca -0.13 -1.18 -0.18 0.00 0.00 0.00 0.00 53.44 51.95 3fpd n ALA 1158Cb 0.48 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3fpd n ALA 1158CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fpd h ARG 1159N 3.78 -0.97 0.08 0.00 9.65 -1.94 -3.32 114.38 121.68 3fpd h ARG 1159Ca 0.00 0.07 -0.32 0.00 -1.10 0.00 0.00 59.98 58.62 3fpd h ARG 1159Cb 0.94 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 3fpd h ARG 1159CO 0.03 -0.64 -1.75 0.74 2.80 0.00 0.00 179.97 181.15 3fpd h PHE 1160N -1.00 0.33 -3.34 2.20 0.04 -1.89 -3.43 116.94 109.83 3fpd h PHE 1160Ca -0.07 -0.24 -0.47 0.00 2.80 0.00 0.00 57.97 59.99 3fpd h PHE 1160Cb 0.83 -0.01 -0.35 0.00 2.20 0.00 0.00 35.95 38.61 3fpd h PHE 1160CO -0.14 1.41 -0.79 0.71 -0.60 0.00 0.00 178.31 178.90 3fpd s TYR 1161N -2.59 1.11 -0.00 -0.55 2.02 -1.25 -1.07 117.35 115.02 3fpd s TYR 1161Ca -0.12 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 55.86 3fpd s TYR 1161Cb 0.07 -0.94 0.10 0.00 -0.40 0.00 0.00 41.96 40.80 3fpd s TYR 1161CO 0.81 -0.32 1.09 0.20 -1.57 0.00 0.00 175.55 175.76 3fpd s GLY 1162N 1.23 -0.35 0.00 0.71 0.00 -1.03 -3.40 107.32 104.49 3fpd s GLY 1162Ca -0.05 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3fpd s GLY 1162CO -0.02 0.22 0.00 1.16 0.00 0.00 0.00 173.10 174.46 3fpd n ASN 1163N -0.35 0.17 0.25 1.64 6.94 -0.87 -2.22 115.26 120.83 3fpd n ASN 1163Ca -0.06 -0.24 0.16 0.00 -0.02 0.00 0.00 54.58 54.42 3fpd n ASN 1163Cb 0.61 0.00 0.87 0.00 -2.36 0.00 0.00 39.78 38.90 3fpd n ASN 1163CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3fpd h VAL 1164N 0.02 0.50 0.00 3.53 3.04 -1.90 -2.85 116.25 118.59 3fpd h VAL 1164Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3fpd h VAL 1164Cb 0.00 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3fpd h VAL 1164CO 0.00 0.00 -0.04 0.28 -1.01 0.00 0.00 177.57 176.80 3fpd h SER 1165N 0.00 0.00 0.17 3.17 0.02 -1.91 -2.18 113.55 112.81 3fpd h SER 1165Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3fpd h SER 1165Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3fpd h SER 1165CO -0.00 0.04 0.00 -2.11 -1.14 0.00 0.00 176.83 173.62 3fpd n ARG 1166N -4.06 0.12 -0.17 3.45 1.85 -1.08 -1.28 116.66 115.48 3fpd n ARG 1166Ca -0.03 0.55 0.11 0.00 -1.00 0.00 0.00 57.85 57.48 3fpd n ARG 1166Cb 0.13 -1.83 0.19 0.00 -1.05 0.00 0.00 32.46 29.90 3fpd n ARG 1166CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fpd n PHE 1167N -2.07 0.45 -2.81 2.89 3.72 -0.82 -4.94 117.46 113.88 3fpd n PHE 1167Ca -0.00 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 3fpd n PHE 1167Cb 0.07 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 3fpd n PHE 1167CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fpd s ILE 1168N -1.38 4.92 0.56 4.37 1.01 -0.40 -3.47 121.20 126.80 3fpd s ILE 1168Ca 0.35 1.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.85 3fpd s ILE 1168Cb 0.21 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3fpd s ILE 1168CO 0.29 0.19 0.81 0.20 0.00 0.00 0.00 174.94 176.43 3fpd s ASN 1169N 0.93 5.39 0.25 3.58 0.01 -1.26 -4.92 114.94 118.92 3fpd s ASN 1169Ca 0.47 0.27 -0.22 0.00 -0.71 0.00 0.00 52.86 52.68 3fpd s ASN 1169Cb -0.20 -1.22 -0.09 0.00 0.41 0.00 0.00 41.25 40.15 3fpd s ASN 1169CO 0.25 -1.10 0.80 -2.28 -1.51 0.00 0.00 177.10 173.26 3fpd s HIS 1170N -2.84 3.67 -0.09 2.20 5.65 -1.26 -2.49 115.29 120.13 3fpd s HIS 1170Ca 0.55 1.52 -0.06 0.00 0.25 0.00 0.00 55.06 57.31 3fpd s HIS 1170Cb -0.10 -2.72 0.03 0.00 -1.18 0.00 0.00 32.58 28.61 3fpd s HIS 1170CO 0.41 0.30 0.23 -1.58 -0.65 0.00 0.00 174.74 173.44 3fpd s HIS 1171N -1.55 -0.28 0.23 3.88 2.46 -1.19 -4.71 115.29 114.13 3fpd s HIS 1171Ca 0.45 0.68 0.24 0.00 0.47 0.00 0.00 55.06 56.91 3fpd s HIS 1171Cb -0.17 0.06 1.05 0.00 -0.13 0.00 0.00 32.58 33.39 3fpd s HIS 1171CO 0.22 -0.17 1.89 0.00 -2.47 0.00 0.00 174.74 174.21 3fpd n GLU 1173N -3.49 2.75 -1.61 0.00 -0.58 -1.26 -4.98 120.64 111.47 3fpd n GLU 1173Ca -0.01 -4.51 -0.46 0.00 -0.42 0.00 0.00 57.16 51.77 3fpd n GLU 1173Cb 0.38 -2.11 -0.02 0.00 -0.57 0.00 0.00 31.44 29.11 3fpd n GLU 1173CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3fpd n PRO 1174N -0.15 1.52 -0.12 3.49 -0.04 -1.20 -4.92 135.00 133.58 3fpd n PRO 1174Ca 0.30 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.37 3fpd n PRO 1174Cb 0.47 -2.03 0.26 0.00 -0.04 0.00 0.00 33.50 32.16 3fpd n PRO 1174CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fpd n ASN 1175N 1.63 1.64 -3.89 3.54 0.23 -1.19 -4.66 115.26 112.55 3fpd n ASN 1175Ca 0.11 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 52.17 3fpd n ASN 1175Cb 0.30 -0.16 -0.15 0.00 -2.08 0.00 0.00 39.78 37.69 3fpd n ASN 1175CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3fpd s LEU 1176N -1.27 1.83 -0.05 -4.53 1.43 -0.97 -0.99 118.68 114.13 3fpd s LEU 1176Ca 0.27 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3fpd s LEU 1176Cb 0.14 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.23 3fpd s LEU 1176CO 0.20 0.00 -0.14 0.54 0.23 0.00 0.00 176.35 177.18 3fpd s VAL 1177N 0.16 1.21 0.23 -1.59 0.11 0.14 -4.46 120.40 116.19 3fpd s VAL 1177Ca -0.01 -0.57 -0.28 0.00 -2.93 0.00 0.00 61.98 58.18 3fpd s VAL 1177Cb -0.03 -1.06 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 3fpd s VAL 1177CO -0.00 0.36 0.89 -2.16 -3.33 0.00 0.00 175.10 170.85 3fpd s PRO 1178N 0.24 4.74 -0.02 1.54 0.04 -1.26 -1.21 135.00 139.07 3fpd s PRO 1178Ca -0.07 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3fpd s PRO 1178Cb -0.12 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3fpd s PRO 1178CO 0.02 0.51 -0.10 0.08 0.04 0.00 0.00 177.00 177.56 3fpd s VAL 1179N -1.21 0.85 -0.16 -0.36 1.01 0.45 -4.92 120.40 116.05 3fpd s VAL 1179Ca 0.40 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 3fpd s VAL 1179Cb -0.24 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3fpd s VAL 1179CO 0.30 0.26 1.09 -0.13 0.00 0.00 0.00 175.10 176.61 3fpd s ARG 1180N 0.10 4.31 0.14 2.72 0.52 -1.26 -1.16 118.95 124.32 3fpd s ARG 1180Ca -0.02 1.46 0.09 0.00 -0.52 0.00 0.00 55.73 56.74 3fpd s ARG 1180Cb -0.08 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 3fpd s ARG 1180CO 0.00 -0.54 -0.20 0.08 0.02 0.00 0.00 175.30 174.67 3fpd s VAL 1181N 2.82 1.82 -0.05 3.52 1.01 -0.36 -1.39 120.40 127.76 3fpd s VAL 1181Ca 0.48 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.72 3fpd s VAL 1181Cb -0.18 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3fpd s VAL 1181CO 0.13 -0.19 -0.12 -0.36 0.00 0.00 0.00 175.10 174.56 3fpd s PHE 1182N -1.64 1.33 0.00 5.22 0.08 0.05 -1.89 117.98 121.13 3fpd s PHE 1182Ca 0.12 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3fpd s PHE 1182Cb -0.08 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 3fpd s PHE 1182CO 0.06 -0.22 0.00 -1.33 -0.10 0.00 0.00 175.22 173.63 3fpd n MET 1183N 3.65 0.00 0.29 0.44 2.81 -1.26 -1.63 117.12 121.42 3fpd n MET 1183Ca -0.22 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 55.87 3fpd n MET 1183Cb 0.52 0.00 1.06 0.00 -0.71 0.00 0.00 33.22 34.09 3fpd n MET 1183CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fpd h ALA 1184N 1.00 1.00 -2.45 3.04 0.00 -1.92 -3.43 119.26 116.50 3fpd h ALA 1184Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3fpd h ALA 1184Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 3fpd h ALA 1184CO 0.00 0.00 -0.54 -3.38 0.00 0.00 0.00 179.25 175.33 3fpd s HIS 1185N -3.99 0.59 -0.31 0.00 0.00 -1.26 -4.96 115.29 105.37 3fpd s HIS 1185Ca -0.04 -1.00 0.14 0.00 -3.00 0.00 0.00 55.06 51.15 3fpd s HIS 1185Cb 0.11 -0.31 0.47 0.00 -4.00 0.00 0.00 32.58 28.86 3fpd s HIS 1185CO 0.36 -0.55 1.12 1.04 -1.00 0.00 0.00 174.74 175.72 3fpd n GLN 1186N -0.08 2.61 -2.85 -0.38 6.02 -1.26 -4.81 117.38 116.63 3fpd n GLN 1186Ca -0.09 -3.87 -0.43 0.00 -0.01 0.00 0.00 57.00 52.60 3fpd n GLN 1186Cb 0.63 -1.91 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 3fpd n GLN 1186CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3fpd s ASP 1187N -3.59 6.30 0.60 1.08 -1.08 -1.26 -4.91 116.67 113.80 3fpd s ASP 1187Ca 0.39 -0.50 0.32 0.00 -0.52 0.00 0.00 52.55 52.24 3fpd s ASP 1187Cb 0.39 -2.43 1.74 0.00 -1.46 0.00 0.00 42.92 41.16 3fpd s ASP 1187CO -0.02 -1.26 1.97 -0.07 0.52 0.00 0.00 175.17 176.31 3fpd h LEU 1188N 11.01 0.00 -0.92 -1.34 3.38 -2.00 -0.54 115.31 124.90 3fpd h LEU 1188Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3fpd h LEU 1188Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3fpd h LEU 1188CO 1.10 0.00 -0.27 0.03 0.09 0.00 0.00 178.44 179.39 3fpd h ARG 1189N 0.00 0.00 -2.29 1.13 3.08 -1.94 -3.37 114.38 111.00 3fpd h ARG 1189Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3fpd h ARG 1189Cb 0.40 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.05 3fpd h ARG 1189CO 0.00 0.27 -0.39 1.19 -1.07 0.00 0.00 179.97 179.98 3fpd n PHE 1190N -3.38 3.75 -2.51 3.04 3.72 -0.21 -4.80 117.46 117.07 3fpd n PHE 1190Ca 0.00 -3.83 -0.36 0.00 -0.05 0.00 0.00 57.45 53.22 3fpd n PHE 1190Cb 0.48 -0.62 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 3fpd n PHE 1190CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3fpd s PRO 1191N -3.28 3.99 0.05 -1.08 0.04 -1.26 -4.89 135.00 128.57 3fpd s PRO 1191Ca 0.45 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 3fpd s PRO 1191Cb 0.23 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3fpd s PRO 1191CO -0.09 -0.29 0.42 1.03 0.04 0.00 0.00 177.00 178.11 3fpd s ARG 1192N -2.76 3.86 -0.37 4.56 0.52 -0.79 -4.87 118.95 119.10 3fpd s ARG 1192Ca 0.62 0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 55.97 3fpd s ARG 1192Cb -0.21 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.16 3fpd s ARG 1192CO 0.26 0.62 0.47 0.42 0.02 0.00 0.00 175.30 177.09 3fpd s ILE 1193N -1.25 5.05 -0.17 1.52 -1.09 -1.26 -1.23 121.20 122.77 3fpd s ILE 1193Ca 0.29 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.80 3fpd s ILE 1193Cb -0.15 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 3fpd s ILE 1193CO 0.16 -0.25 -0.05 0.00 -1.23 0.00 0.00 174.94 173.56 3fpd s ALA 1194N 2.29 2.87 -0.03 9.38 0.00 -0.31 -0.08 121.76 135.88 3fpd s ALA 1194Ca 0.16 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 3fpd s ALA 1194Cb -0.16 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3fpd s ALA 1194CO 0.13 -0.01 0.59 -0.06 0.00 0.00 0.00 175.76 176.41 3fpd s PHE 1195N 0.77 3.64 0.05 0.00 0.08 0.97 -0.41 117.98 123.08 3fpd s PHE 1195Ca -0.02 1.16 0.09 0.00 0.12 0.00 0.00 56.93 58.27 3fpd s PHE 1195Cb -0.15 -2.63 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 3fpd s PHE 1195CO 0.02 0.29 -0.24 -0.06 -0.10 0.00 0.00 175.22 175.12 3fpd s PHE 1196N 0.07 2.13 0.09 0.36 0.08 -0.35 -0.93 117.98 119.43 3fpd s PHE 1196Ca 0.31 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 3fpd s PHE 1196Cb -0.18 -1.27 -0.07 0.00 -0.57 0.00 0.00 43.02 40.94 3fpd s PHE 1196CO 0.16 0.12 1.27 -1.54 -0.10 0.00 0.00 175.22 175.13 3fpd s SER 1197N -1.26 6.98 0.00 1.36 1.04 -0.33 -0.69 113.70 120.81 3fpd s SER 1197Ca 0.10 2.15 0.28 0.00 0.48 0.00 0.00 55.95 58.96 3fpd s SER 1197Cb -0.10 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.56 3fpd s SER 1197CO 0.02 -0.53 1.80 0.35 0.98 0.00 0.00 173.24 175.86 3fpd n THR 1198N 3.82 0.00 -3.56 2.02 -2.24 -0.17 0.30 114.28 114.45 3fpd n THR 1198Ca 0.09 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 3fpd n THR 1198Cb 0.45 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3fpd n THR 1198CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fpd n ARG 1199N -1.05 0.41 -2.36 -0.78 1.85 -1.26 -4.79 116.66 108.68 3fpd n ARG 1199Ca 0.12 -0.86 -0.42 0.00 -1.00 0.00 0.00 57.85 55.69 3fpd n ARG 1199Cb 0.30 1.13 -0.03 0.00 -1.05 0.00 0.00 32.46 32.81 3fpd n ARG 1199CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3fpd s LEU 1200N 0.00 4.29 -0.21 2.89 2.96 -1.26 -3.43 118.68 123.92 3fpd s LEU 1200Ca 0.10 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 55.90 3fpd s LEU 1200Cb -0.02 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3fpd s LEU 1200CO 0.04 -0.64 0.00 -0.63 -1.32 0.00 0.00 176.35 173.80 3fpd s ILE 1201N 2.30 3.86 0.26 6.68 1.01 0.23 -4.96 121.20 130.59 3fpd s ILE 1201Ca 0.59 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 3fpd s ILE 1201Cb -0.28 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 3fpd s ILE 1201CO 0.24 0.41 0.84 -1.61 0.00 0.00 0.00 174.94 174.82 3fpd s GLU 1202N 1.21 4.49 0.07 2.79 2.02 -1.26 -0.40 118.70 127.62 3fpd s GLU 1202Ca 0.03 1.16 -0.36 0.00 0.02 0.00 0.00 54.97 55.82 3fpd s GLU 1202Cb -0.15 -2.94 -0.16 0.00 0.10 0.00 0.00 34.13 30.99 3fpd s GLU 1202CO 0.01 0.38 1.45 0.00 0.02 0.00 0.00 175.26 177.13 3fpd n ALA 1203N 0.85 -0.27 0.00 5.21 0.00 -1.22 -0.61 120.51 124.47 3fpd n ALA 1203Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3fpd n ALA 1203Cb 0.50 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3fpd n ALA 1203CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpd n GLY 1204N 2.95 1.34 3.77 0.00 0.00 0.27 -4.89 105.19 108.65 3fpd n GLY 1204Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3fpd n GLY 1204CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fpd s GLU 1205N -0.96 4.26 0.11 1.61 2.12 0.22 -4.76 118.70 121.29 3fpd s GLU 1205Ca 0.00 1.67 -0.25 0.00 0.36 0.00 0.00 54.97 56.74 3fpd s GLU 1205Cb 0.00 -2.75 -0.07 0.00 0.26 0.00 0.00 34.13 31.58 3fpd s GLU 1205CO 0.00 -0.09 0.78 -1.14 -0.54 0.00 0.00 175.26 174.27 3fpd s GLN 1206N -2.17 4.54 0.40 4.30 0.74 -1.26 -1.92 119.66 124.29 3fpd s GLN 1206Ca 0.54 1.13 -0.23 0.00 0.05 0.00 0.00 55.36 56.86 3fpd s GLN 1206Cb -0.27 -3.32 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 3fpd s GLN 1206CO 0.34 0.41 0.96 -0.51 -0.55 0.00 0.00 175.29 175.94 3fpd s LEU 1207N -0.56 4.07 0.05 3.68 1.43 0.43 -4.94 118.68 122.83 3fpd s LEU 1207Ca 0.38 1.76 -0.24 0.00 -1.03 0.00 0.00 54.13 55.00 3fpd s LEU 1207Cb -0.22 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.70 3fpd s LEU 1207CO 0.25 -0.30 0.57 -0.83 0.23 0.00 0.00 176.35 176.27 3fpd s GLY 1208N -1.97 -0.50 -0.05 -3.19 0.00 -1.26 -4.14 107.32 96.22 3fpd s GLY 1208Ca 0.58 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 45.88 3fpd s GLY 1208CO 0.17 0.42 0.37 -0.11 0.00 0.00 0.00 173.10 173.95 3fpd s PHE 1209N -2.40 -0.29 -0.19 1.90 -0.12 -1.04 -2.30 117.98 113.55 3fpd s PHE 1209Ca -0.05 0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 57.06 3fpd s PHE 1209Cb -0.01 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 3fpd s PHE 1209CO -0.01 -0.38 1.69 0.34 -0.05 0.00 0.00 175.22 176.80 3fpd s ASP 1210N -1.00 6.34 0.54 1.98 -1.08 -1.24 -3.16 116.67 119.05 3fpd s ASP 1210Ca -0.11 1.77 0.32 0.00 -0.52 0.00 0.00 52.55 54.01 3fpd s ASP 1210Cb -0.04 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.35 3fpd s ASP 1210CO 0.04 -1.26 2.04 1.88 0.52 0.00 0.00 175.17 178.39 3fpd h TYR 1211N 10.92 0.00 0.00 -5.34 -1.99 -1.94 -3.49 116.97 115.12 3fpd h TYR 1211Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 3fpd h TYR 1211Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 3fpd h TYR 1211CO 0.91 0.08 0.00 0.41 -0.00 0.00 0.00 178.16 179.56 3fpd n GLY 1212N -0.32 0.89 0.30 3.88 0.00 -1.26 -4.51 105.19 104.17 3fpd n GLY 1212Ca -0.01 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 3fpd n GLY 1212CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fpd h GLU 1213N 0.00 1.00 -0.53 1.61 4.39 -2.00 -3.21 114.58 115.85 3fpd h GLU 1213Ca 0.00 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 3fpd h GLU 1213Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3fpd h GLU 1213CO 0.00 1.01 0.28 -0.09 -1.16 0.00 0.00 179.01 179.05 3fpd h ARG 1214N 0.91 0.74 0.27 2.33 2.43 -1.97 0.37 114.38 119.46 3fpd h ARG 1214Ca 0.16 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3fpd h ARG 1214Cb 0.59 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3fpd h ARG 1214CO 0.04 0.58 -0.44 0.35 -1.51 0.00 0.00 179.97 178.99 3fpd h PHE 1215N 0.70 -1.23 -0.14 2.20 3.57 -1.78 -2.72 116.94 117.54 3fpd h PHE 1215Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3fpd h PHE 1215Cb 0.06 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3fpd h PHE 1215CO -0.01 -0.56 -0.35 -1.49 -2.23 0.00 0.00 178.31 173.66 3fpd h TRP 1216N -0.78 0.32 0.00 0.41 4.06 -1.54 0.02 115.95 118.44 3fpd h TRP 1216Ca -0.01 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.86 3fpd h TRP 1216Cb 0.74 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3fpd h TRP 1216CO -0.31 0.61 0.00 0.22 -3.56 0.00 0.00 178.44 175.39 3fpd h ASP 1217N 0.24 0.00 0.00 -3.49 3.58 0.05 1.59 116.42 118.40 3fpd h ASP 1217Ca 0.03 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 3fpd h ASP 1217Cb 0.74 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 3fpd h ASP 1217CO 0.06 0.00 -1.32 2.30 -2.88 0.00 0.00 179.24 177.40 3fpd n ILE 1218N -2.33 0.32 0.45 2.25 -6.64 -0.99 -4.63 119.36 107.79 3fpd n ILE 1218Ca -0.01 -0.18 0.12 0.00 -1.77 0.00 0.00 62.75 60.91 3fpd n ILE 1218Cb 0.05 -0.84 0.08 0.00 -1.44 0.00 0.00 39.64 37.50 3fpd n ILE 1218CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3fpd n LYS 1219N -2.29 0.37 0.00 6.28 4.76 -0.04 -3.82 118.16 123.42 3fpd n LYS 1219Ca -0.08 0.06 0.07 0.00 -2.87 0.00 0.00 58.31 55.49 3fpd n LYS 1219Cb 0.64 -1.69 0.35 0.00 -1.84 0.00 0.00 35.03 32.49 3fpd n LYS 1219CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fpd n GLY 1220N 1.31 -0.68 1.01 0.72 0.00 0.54 -0.98 105.19 107.11 3fpd n GLY 1220Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3fpd n GLY 1220CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fpd n LYS 1221N -1.24 2.41 0.00 1.61 5.02 -1.25 -4.48 118.16 120.23 3fpd n LYS 1221Ca 0.07 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 3fpd n LYS 1221Cb 0.10 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3fpd n LYS 1221CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fpd n LEU 1222N 1.23 1.88 -3.55 -0.35 4.77 -0.15 -5.11 117.00 115.72 3fpd n LEU 1222Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 3fpd n LEU 1222Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 3fpd n LEU 1222CO 0.13 0.31 0.30 0.72 -1.33 0.00 0.00 177.39 177.53 3fpd s PHE 1223N -1.93 -0.36 0.35 -1.77 -0.12 -0.92 -5.16 117.98 108.08 3fpd s PHE 1223Ca 0.00 0.08 -0.03 0.00 -0.05 0.00 0.00 56.93 56.93 3fpd s PHE 1223Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3fpd s PHE 1223CO 0.00 -0.82 0.61 0.45 -0.05 0.00 0.00 175.22 175.41 3fpd s SER 1224N -2.79 6.36 -0.46 1.98 0.15 -1.26 -4.45 113.70 113.23 3fpd s SER 1224Ca 0.03 0.68 -0.28 0.00 0.70 0.00 0.00 55.95 57.07 3fpd s SER 1224Cb -0.00 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 3fpd s SER 1224CO -0.11 -0.32 1.43 0.00 1.20 0.00 0.00 173.24 175.45 3fpd n ARG 1226N 8.28 1.85 0.03 0.00 1.74 -1.26 -4.21 116.66 123.10 3fpd n ARG 1226Ca 0.16 -0.72 0.04 0.00 -0.77 0.00 0.00 57.85 56.56 3fpd n ARG 1226Cb 0.48 -1.62 0.43 0.00 -1.02 0.00 0.00 32.46 30.73 3fpd n ARG 1226CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fpd n GLY 1228N -1.37 0.18 3.78 0.00 0.00 -1.26 -4.99 105.19 101.53 3fpd n GLY 1228Ca 0.02 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3fpd n GLY 1228CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fpd s SER 1229N -2.52 7.23 0.59 1.61 0.15 -1.26 -4.94 113.70 114.55 3fpd s SER 1229Ca 0.00 1.45 0.29 0.00 0.70 0.00 0.00 55.95 58.39 3fpd s SER 1229Cb 0.00 -2.44 1.74 0.00 -1.71 0.00 0.00 66.02 63.62 3fpd s SER 1229CO 0.00 0.21 2.20 -0.65 1.20 0.00 0.00 173.24 176.19 3fpd h PRO 1230N 4.63 0.00 -0.44 5.44 0.11 -2.03 0.60 132.00 140.32 3fpd h PRO 1230Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fpd h PRO 1230Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fpd h PRO 1230CO 0.66 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.08 3fpd n LYS 1231N -3.86 2.93 -1.24 1.05 5.02 -1.26 -5.05 118.16 115.75 3fpd n LYS 1231Ca -0.01 -2.32 -0.40 0.00 -2.02 0.00 0.00 58.31 53.56 3fpd n LYS 1231Cb 0.17 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3fpd n LYS 1231CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fpd n ARG 1233N 1.33 1.03 -0.90 0.00 1.74 -1.26 -4.84 116.66 113.76 3fpd n ARG 1233Ca 0.10 -1.58 0.01 0.00 -0.77 0.00 0.00 57.85 55.62 3fpd n ARG 1233Cb 0.40 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 3fpd n ARG 1233CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3fpd n HIS 1234N -0.61 0.00 0.67 -1.55 8.25 -1.26 -5.13 115.22 115.59 3fpd n HIS 1234Ca 0.06 -0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3fpd n HIS 1234Cb 0.56 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.71 3fpd n HIS 1234CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85