#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hna s ARG 977 N 0.00 4.31 -0.45 5.31 0.52 -0.62 -4.92 118.95 123.10 3hna s ARG 977 Ca 0.00 0.30 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 3hna s ARG 977 Cb 0.00 -3.43 0.03 0.00 0.52 0.00 0.00 34.95 32.06 3hna s ARG 977 CO 0.00 0.19 0.75 0.42 0.02 0.00 0.00 175.30 176.68 3hna s ILE 978 N 0.58 4.69 -1.18 1.52 1.01 -1.26 -0.46 121.20 126.10 3hna s ILE 978 Ca 0.22 0.36 0.23 0.00 0.00 0.00 0.00 60.65 61.46 3hna s ILE 978 Cb -0.14 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3hna s ILE 978 CO 0.08 -0.69 1.14 1.33 0.00 0.00 0.00 174.94 176.80 3hna n VAL 979 N 6.08 0.00 -3.64 2.92 0.24 0.54 -4.85 118.33 119.61 3hna n VAL 979 Ca 0.01 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 3hna n VAL 979 Cb 0.48 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.52 3hna n VAL 979 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hna s SER 980 N -2.90 -0.77 0.46 -1.34 0.15 -1.06 -4.55 113.70 103.69 3hna s SER 980 Ca 0.11 1.42 0.26 0.00 0.70 0.00 0.00 55.95 58.45 3hna s SER 980 Cb 0.17 1.41 0.99 0.00 -1.71 0.00 0.00 66.02 66.89 3hna s SER 980 CO 0.75 -0.24 1.85 0.08 1.20 0.00 0.00 173.24 176.88 3hna h ARG 981 N 5.42 0.00 -0.62 5.44 0.11 -1.88 -0.33 114.38 122.52 3hna h ARG 981 Ca -0.29 0.00 0.16 0.00 0.10 0.00 0.00 59.98 59.95 3hna h ARG 981 Cb 1.17 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.05 3hna h ARG 981 CO 0.08 0.18 -0.07 0.34 0.10 0.00 0.00 179.97 180.60 3hna s ASP 982 N -6.10 -0.89 0.55 0.08 2.15 -1.26 -3.61 116.67 107.59 3hna s ASP 982 Ca 0.01 0.45 0.36 0.00 0.43 0.00 0.00 52.55 53.79 3hna s ASP 982 Cb 0.10 1.70 1.63 0.00 -0.30 0.00 0.00 42.92 46.05 3hna s ASP 982 CO 0.62 -0.17 2.06 0.16 -0.17 0.00 0.00 175.17 177.67 3hna h ILE 983 N 5.53 0.00 -0.01 4.11 3.07 -1.12 -2.59 117.51 126.50 3hna h ILE 983 Ca -0.15 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.93 3hna h ILE 983 Cb 1.17 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 3hna h ILE 983 CO 0.05 0.00 -0.04 0.00 -1.05 0.00 0.00 178.15 177.11 3hna n ALA 984 N -2.05 2.66 -3.41 0.16 0.00 -1.26 -4.79 120.51 111.81 3hna n ALA 984 Ca -0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 3hna n ALA 984 Cb 0.23 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.51 3hna n ALA 984 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hna n ARG 985 N -0.02 -4.40 -0.77 0.00 1.74 -0.98 -1.24 116.66 110.99 3hna n ARG 985 Ca 0.18 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3hna n ARG 985 Cb 0.34 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 3hna n ARG 985 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hna n GLY 986 N -1.41 0.76 0.21 -0.13 0.00 -1.26 -4.94 105.19 98.42 3hna n GLY 986 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3hna n GLY 986 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hna h TYR 987 N 0.00 0.00 -2.50 1.61 -1.99 -1.53 -3.46 116.97 109.11 3hna h TYR 987 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 3hna h TYR 987 Cb 0.00 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.77 3hna h TYR 987 CO 0.00 0.00 -0.05 -1.21 -0.00 0.00 0.00 178.16 176.90 3hna s GLU 988 N -3.21 2.63 0.54 4.88 0.41 -1.26 -4.97 118.70 117.71 3hna s GLU 988 Ca 0.07 -0.76 0.31 0.00 -0.41 0.00 0.00 54.97 54.18 3hna s GLU 988 Cb 0.05 -2.51 1.44 0.00 -1.78 0.00 0.00 34.13 31.34 3hna s GLU 988 CO 0.67 -0.63 2.03 0.00 -0.49 0.00 0.00 175.26 176.84 3hna h ARG 989 N 0.14 0.00 -4.44 1.61 3.08 -1.88 -3.43 114.38 109.45 3hna h ARG 989 Ca -0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.45 3hna h ARG 989 Cb 1.29 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.19 3hna h ARG 989 CO 0.53 0.08 -0.69 0.96 -1.07 0.00 0.00 179.97 179.78 3hna s ILE 990 N -3.87 0.44 0.59 2.04 -0.00 -1.26 -5.11 121.20 114.04 3hna s ILE 990 Ca -0.01 -1.87 -0.16 0.00 -0.00 0.00 0.00 60.65 58.60 3hna s ILE 990 Cb 0.11 -1.62 -0.03 0.00 -0.00 0.00 0.00 42.46 40.91 3hna s ILE 990 CO 0.56 -0.92 1.07 -2.16 -0.00 0.00 0.00 174.94 173.49 3hna s PRO 991 N -3.88 3.25 -0.48 0.37 0.04 -1.26 -4.94 135.00 128.10 3hna s PRO 991 Ca 0.10 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3hna s PRO 991 Cb 0.07 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.71 3hna s PRO 991 CO -0.07 -0.88 0.23 0.42 0.04 0.00 0.00 177.00 176.74 3hna s ILE 992 N -2.32 2.70 0.86 0.56 1.01 -1.26 -4.66 121.20 118.08 3hna s ILE 992 Ca 0.65 -2.96 -0.11 0.00 0.00 0.00 0.00 60.65 58.23 3hna s ILE 992 Cb -0.18 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.52 3hna s ILE 992 CO 0.35 -0.75 1.09 -2.16 0.00 0.00 0.00 174.94 173.47 3hna s PRO 993 N 0.12 1.58 -0.08 2.79 0.04 -1.24 -0.55 135.00 137.66 3hna s PRO 993 Ca 0.15 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.07 3hna s PRO 993 Cb -0.23 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3hna s PRO 993 CO -0.03 -2.03 -0.18 0.00 0.04 0.00 0.00 177.00 174.80 3hna s VAL 995 N 0.42 1.40 -0.22 0.00 -7.23 0.27 -0.34 120.40 114.70 3hna s VAL 995 Ca -0.15 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 3hna s VAL 995 Cb -0.16 -1.63 0.09 0.00 0.56 0.00 0.00 36.38 35.24 3hna s VAL 995 CO 0.06 -0.44 0.17 0.21 -0.31 0.00 0.00 175.10 174.79 3hna s ASN 996 N -2.59 2.06 -0.13 4.85 3.84 0.40 -2.19 114.94 121.17 3hna s ASN 996 Ca 0.11 -0.57 0.15 0.00 0.21 0.00 0.00 52.86 52.76 3hna s ASN 996 Cb -0.04 0.08 0.53 0.00 -0.55 0.00 0.00 41.25 41.27 3hna s ASN 996 CO 0.03 -0.36 1.44 0.00 -2.79 0.00 0.00 177.10 175.43 3hna n ALA 997 N 5.29 2.90 0.00 1.71 0.00 -1.26 -1.59 120.51 127.57 3hna n ALA 997 Ca -0.06 -1.91 -0.02 0.00 0.00 0.00 0.00 53.44 51.46 3hna n ALA 997 Cb 0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 3hna n ALA 997 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hna n VAL 998 N 0.04 0.37 -3.59 0.00 0.31 -1.26 -4.85 118.33 109.35 3hna n VAL 998 Ca 0.20 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 3hna n VAL 998 Cb 0.81 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3hna n VAL 998 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hna n ASP 999 N -3.20 0.00 -0.34 4.52 5.68 -1.26 -5.06 116.55 116.89 3hna n ASP 999 Ca -0.03 -0.66 0.14 0.00 -0.50 0.00 0.00 54.79 53.74 3hna n ASP 999 Cb 0.41 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.88 3hna n ASP 999 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hna n SER 1000N -1.90 1.18 -4.75 -1.12 3.41 -1.26 -4.96 113.62 104.22 3hna n SER 1000Ca 0.00 -1.18 -0.41 0.00 -0.26 0.00 0.00 58.87 57.02 3hna n SER 1000Cb 0.00 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3hna n SER 1000CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hna s GLU 1001N -2.22 4.12 0.88 4.33 0.41 -1.26 -5.02 118.70 119.94 3hna s GLU 1001Ca 0.33 2.58 -0.12 0.00 -0.41 0.00 0.00 54.97 57.35 3hna s GLU 1001Cb 0.20 -3.02 0.12 0.00 -1.78 0.00 0.00 34.13 29.65 3hna s GLU 1001CO 0.42 -0.63 1.15 -1.25 -0.49 0.00 0.00 175.26 174.45 3hna s PRO 1002N -0.53 1.37 0.21 0.39 0.04 -1.26 -4.93 135.00 130.30 3hna s PRO 1002Ca 0.63 0.26 -0.32 0.00 0.04 0.00 0.00 61.00 61.61 3hna s PRO 1002Cb -0.48 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 3hna s PRO 1002CO 0.48 -2.03 1.33 0.00 0.04 0.00 0.00 177.00 176.82 3hna n PRO 1004N 1.96 2.23 -0.31 0.00 -0.02 -1.26 -4.92 135.00 132.68 3hna n PRO 1004Ca 0.13 0.79 0.02 0.00 -2.02 0.00 0.00 63.50 62.41 3hna n PRO 1004Cb 0.29 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3hna n PRO 1004CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hna n SER 1005N 1.55 0.53 -1.93 2.55 3.41 -1.26 -4.85 113.62 113.62 3hna n SER 1005Ca 0.08 -2.03 -0.17 0.00 -0.26 0.00 0.00 58.87 56.48 3hna n SER 1005Cb 0.34 -0.20 0.15 0.00 -0.26 0.00 0.00 64.21 64.24 3hna n SER 1005CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hna n ASN 1006N -0.29 3.64 -3.89 4.04 6.94 -1.26 -4.87 115.26 119.57 3hna n ASN 1006Ca 0.03 -3.22 -0.08 0.00 -0.02 0.00 0.00 54.58 51.29 3hna n ASN 1006Cb 0.63 -0.76 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 3hna n ASN 1006CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3hna s TYR 1007N -2.54 0.04 -0.24 -2.53 -0.85 -1.26 -4.90 117.35 105.06 3hna s TYR 1007Ca 0.44 -0.44 -0.07 0.00 -0.52 0.00 0.00 57.07 56.48 3hna s TYR 1007Cb 0.37 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 43.13 3hna s TYR 1007CO 0.09 -1.08 0.05 0.21 -1.52 0.00 0.00 175.55 173.30 3hna s LYS 1008N -3.95 3.63 -0.08 -3.49 2.47 0.23 -5.02 119.74 113.53 3hna s LYS 1008Ca 0.15 -0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 53.77 3hna s LYS 1008Cb -0.03 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 33.03 3hna s LYS 1008CO 0.06 -0.17 1.40 -0.47 0.16 0.00 0.00 175.35 176.33 3hna s TYR 1009N 1.54 2.66 0.01 4.03 5.04 -1.26 -1.82 117.35 127.54 3hna s TYR 1009Ca 0.06 0.76 0.06 0.00 -2.44 0.00 0.00 57.07 55.51 3hna s TYR 1009Cb -0.15 -3.65 -0.02 0.00 0.35 0.00 0.00 41.96 38.50 3hna s TYR 1009CO 0.03 -2.43 -0.18 0.14 -1.34 0.00 0.00 175.55 171.77 3hna s VAL 1010N 3.20 1.44 -0.67 3.14 -7.23 -0.29 -4.90 120.40 115.09 3hna s VAL 1010Ca 0.62 -0.89 0.24 0.00 -1.81 0.00 0.00 61.98 60.14 3hna s VAL 1010Cb -0.28 -1.22 0.05 0.00 0.56 0.00 0.00 36.38 35.49 3hna s VAL 1010CO 0.22 0.31 1.33 -1.54 -0.31 0.00 0.00 175.10 175.12 3hna n SER 1011N 2.37 0.68 -4.17 4.85 3.41 -1.26 -3.39 113.62 116.11 3hna n SER 1011Ca -0.16 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.42 3hna n SER 1011Cb 0.54 0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 3hna n SER 1011CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hna s GLN 1012N -3.16 0.84 0.63 4.33 -0.21 -1.26 -4.99 119.66 115.85 3hna s GLN 1012Ca 0.07 -1.18 -0.18 0.00 0.02 0.00 0.00 55.36 54.08 3hna s GLN 1012Cb 0.14 -0.48 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 3hna s GLN 1012CO 0.72 0.07 1.24 0.09 -2.12 0.00 0.00 175.29 175.28 3hna n ASN 1013N 0.47 1.88 -4.08 5.90 3.02 -1.26 -4.68 115.26 116.51 3hna n ASN 1013Ca -0.15 0.84 -0.21 0.00 -0.03 0.00 0.00 54.58 55.02 3hna n ASN 1013Cb 0.58 -1.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.14 3hna n ASN 1013CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hna s VAL 1015N -3.42 1.04 0.00 0.00 -7.23 -1.26 -0.81 120.40 108.71 3hna s VAL 1015Ca 0.32 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3hna s VAL 1015Cb 0.05 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3hna s VAL 1015CO 0.16 -0.60 0.00 0.35 -0.31 0.00 0.00 175.10 174.70 3hna n THR 1016N 0.33 0.00 -1.73 5.32 -2.24 -1.26 -4.99 114.28 109.71 3hna n THR 1016Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3hna n THR 1016Cb 0.58 -0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.28 3hna n THR 1016CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hna n SER 1017N -0.35 3.03 -4.77 3.42 7.64 -1.26 -4.92 113.62 116.42 3hna n SER 1017Ca 0.00 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 3hna n SER 1017Cb 0.00 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 61.64 3hna n SER 1017CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hna s PRO 1018N -2.20 4.23 -0.04 1.43 0.04 -1.26 -4.99 135.00 132.20 3hna s PRO 1018Ca 0.59 2.40 0.02 0.00 0.04 0.00 0.00 61.00 64.04 3hna s PRO 1018Cb -0.49 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 3hna s PRO 1018CO 0.60 -0.40 -0.07 -1.64 0.04 0.00 0.00 177.00 175.53 3hna s MET 1019N -1.55 2.67 -1.09 4.56 -1.94 -1.26 -5.03 119.30 115.65 3hna s MET 1019Ca 0.53 -0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 53.86 3hna s MET 1019Cb -0.43 -2.55 0.17 0.00 2.01 0.00 0.00 34.83 34.02 3hna s MET 1019CO 0.55 0.64 2.30 0.27 -0.01 0.00 0.00 175.02 178.77 3hna n ASN 1020N 1.97 7.62 -4.68 3.03 6.94 -1.26 -4.95 115.26 123.92 3hna n ASN 1020Ca -0.17 -3.32 -0.42 0.00 -0.02 0.00 0.00 54.58 50.65 3hna n ASN 1020Cb 0.53 -1.28 -0.03 0.00 -2.36 0.00 0.00 39.78 36.64 3hna n ASN 1020CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hna s ILE 1021N -2.30 2.95 -0.52 1.53 1.01 -1.26 -4.89 121.20 117.72 3hna s ILE 1021Ca 0.51 0.34 -0.27 0.00 0.00 0.00 0.00 60.65 61.23 3hna s ILE 1021Cb 0.23 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3hna s ILE 1021CO -0.14 -0.01 1.78 -0.62 0.00 0.00 0.00 174.94 175.95 3hna s ASP 1022N 2.77 5.58 -0.12 3.58 2.15 -1.26 -4.82 116.67 124.55 3hna s ASP 1022Ca 0.77 0.63 0.15 0.00 0.43 0.00 0.00 52.55 54.53 3hna s ASP 1022Cb -0.41 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.15 3hna s ASP 1022CO 0.34 -2.08 1.38 0.54 -0.17 0.00 0.00 175.17 175.18 3hna n ARG 1023N 8.86 2.96 -1.67 4.34 1.74 -1.26 -4.56 116.66 127.06 3hna n ARG 1023Ca 0.20 -2.61 -0.43 0.00 -0.77 0.00 0.00 57.85 54.24 3hna n ARG 1023Cb 0.50 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3hna n ARG 1023CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hna s ASN 1024N -1.62 5.77 0.57 0.55 3.84 -1.26 -4.84 114.94 117.95 3hna s ASN 1024Ca 0.37 2.03 0.27 0.00 0.21 0.00 0.00 52.86 55.74 3hna s ASN 1024Cb 0.28 -2.52 1.69 0.00 -0.55 0.00 0.00 41.25 40.15 3hna s ASN 1024CO 0.11 -1.69 2.22 -0.29 -2.79 0.00 0.00 177.10 174.66 3hna h ILE 1025N 6.71 0.62 0.00 -5.21 2.10 -1.97 -0.43 117.51 119.32 3hna h ILE 1025Ca -0.42 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3hna h ILE 1025Cb 1.23 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3hna h ILE 1025CO 0.96 0.01 0.00 0.35 -1.08 0.00 0.00 178.15 178.39 3hna n THR 1026N -3.96 0.17 0.93 2.19 -2.24 -1.26 -2.66 114.28 107.45 3hna n THR 1026Ca -0.03 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 3hna n THR 1026Cb 0.10 -0.60 0.24 0.00 -2.10 0.00 0.00 70.33 67.97 3hna n THR 1026CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hna n HIS 1027N -1.38 0.07 -2.13 4.78 8.25 -0.17 -4.92 115.22 119.72 3hna n HIS 1027Ca 0.10 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 3hna n HIS 1027Cb 0.25 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 3hna n HIS 1027CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hna s LEU 1028N -3.17 4.43 0.12 2.41 1.43 -1.09 -4.98 118.68 117.83 3hna s LEU 1028Ca 0.10 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.70 3hna s LEU 1028Cb 0.17 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 3hna s LEU 1028CO 0.70 -0.53 0.55 -1.10 0.23 0.00 0.00 176.35 176.21 3hna s GLN 1029N -1.60 4.05 0.22 1.70 -0.21 -1.26 -5.09 119.66 117.47 3hna s GLN 1029Ca 0.50 0.57 -0.16 0.00 0.02 0.00 0.00 55.36 56.29 3hna s GLN 1029Cb -0.39 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 30.59 3hna s GLN 1029CO 0.51 0.54 0.51 1.52 -2.12 0.00 0.00 175.29 176.25 3hna s TYR 1030N -1.34 0.08 0.27 0.91 -0.85 -1.26 -4.94 117.35 110.21 3hna s TYR 1030Ca 0.35 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.52 3hna s TYR 1030Cb -0.16 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 3hna s TYR 1030CO 0.19 -0.97 0.31 0.00 -1.52 0.00 0.00 175.55 173.56 3hna n VAL 1032N -1.35 2.13 -1.75 0.00 0.24 -1.26 -1.33 118.33 115.01 3hna n VAL 1032Ca -0.07 -2.79 -0.42 0.00 -2.04 0.00 0.00 64.34 59.03 3hna n VAL 1032Cb 0.58 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3hna n VAL 1032CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hna n ILE 1034N 0.55 0.47 -1.42 0.00 -5.35 -1.26 -4.20 119.36 108.15 3hna n ILE 1034Ca 0.03 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 3hna n ILE 1034Cb 0.38 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3hna n ILE 1034CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3hna n ASP 1035N 1.23 0.00 -1.87 7.28 5.75 -1.26 -5.03 116.55 122.65 3hna n ASP 1035Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.90 3hna n ASP 1035Cb 0.54 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.93 3hna n ASP 1035CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hna n ASP 1036N 0.00 4.70 -2.62 -1.12 5.75 -1.26 -4.75 116.55 117.25 3hna n ASP 1036Ca 0.00 -3.23 -0.20 0.00 -0.01 0.00 0.00 54.79 51.35 3hna n ASP 1036Cb 0.00 -0.72 0.02 0.00 -1.03 0.00 0.00 41.12 39.39 3hna n ASP 1036CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hna n SER 1038N -2.02 2.94 -4.92 0.00 3.41 -1.26 -4.59 113.62 107.17 3hna n SER 1038Ca -0.13 -1.89 -0.26 0.00 -0.26 0.00 0.00 58.87 56.32 3hna n SER 1038Cb 0.63 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3hna n SER 1038CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hna s SER 1039N -1.58 6.37 0.00 4.04 1.04 -1.26 -4.98 113.70 117.32 3hna s SER 1039Ca 0.28 0.54 0.18 0.00 0.48 0.00 0.00 55.95 57.43 3hna s SER 1039Cb 0.18 -2.07 1.00 0.00 0.10 0.00 0.00 66.02 65.23 3hna s SER 1039CO 0.27 -0.21 1.50 -1.54 0.98 0.00 0.00 173.24 174.24 3hna n SER 1040N -1.26 0.00 0.16 7.02 3.41 -1.26 -2.51 113.62 119.18 3hna n SER 1040Ca -0.04 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.41 3hna n SER 1040Cb 0.55 -0.13 0.34 0.00 -0.26 0.00 0.00 64.21 64.71 3hna n SER 1040CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hna h ASN 1041N 0.00 0.00 -2.19 4.04 4.21 -1.98 -3.46 115.58 116.20 3hna h ASN 1041Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 3hna h ASN 1041Cb 0.08 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3hna h ASN 1041CO 0.00 0.00 1.24 0.00 -1.29 0.00 0.00 177.43 177.38 3hna h MET 1043N 10.86 0.77 -0.25 0.00 4.05 -1.89 -1.45 114.93 127.02 3hna h MET 1043Ca -0.48 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 58.74 3hna h MET 1043Cb 1.25 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 3hna h MET 1043CO 0.95 0.51 -0.46 0.00 0.23 0.00 0.00 176.91 178.13 3hna h GLY 1045N 0.97 1.03 1.19 0.00 0.00 -1.69 -2.52 103.07 102.06 3hna h GLY 1045Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3hna h GLY 1045CO 0.09 0.43 0.30 -1.61 0.00 0.00 0.00 176.54 175.75 3hna h GLN 1046N 0.96 1.03 0.00 4.80 5.75 -0.67 -1.53 115.11 125.46 3hna h GLN 1046Ca 0.25 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3hna h GLN 1046Cb 0.00 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3hna h GLN 1046CO -0.04 0.83 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.70 3hna h LEU 1047N 1.02 0.00 -0.75 -2.39 3.38 -0.88 -1.31 115.31 114.38 3hna h LEU 1047Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hna h LEU 1047Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hna h LEU 1047CO -0.02 0.20 0.00 -1.20 0.09 0.00 0.00 178.44 177.51 3hna n SER 1048N -4.27 1.11 0.00 -0.43 7.64 -0.64 -4.80 113.62 112.23 3hna n SER 1048Ca -0.02 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3hna n SER 1048Cb 0.26 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3hna n SER 1048CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3hna n MET 1049N 0.01 0.00 -4.00 1.43 2.81 -0.50 -4.74 117.12 112.14 3hna n MET 1049Ca 0.12 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.91 3hna n MET 1049Cb 0.21 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.65 3hna n MET 1049CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3hna s ARG 1050N 0.00 1.12 -0.01 0.03 1.70 -0.84 -4.44 118.95 116.52 3hna s ARG 1050Ca 0.00 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.73 3hna s ARG 1050Cb 0.00 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 3hna s ARG 1050CO 0.00 -0.40 1.56 0.00 -1.08 0.00 0.00 175.30 175.38 3hna n TRP 1052N 6.15 0.09 -3.65 0.00 7.02 -1.26 -4.91 117.44 120.87 3hna n TRP 1052Ca 0.15 -0.05 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 3hna n TRP 1052Cb 0.42 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.25 3hna n TRP 1052CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3hna s TYR 1053N -1.91 3.58 0.61 -5.99 2.02 -1.26 -0.34 117.35 114.06 3hna s TYR 1053Ca 0.34 0.67 -0.08 0.00 -0.37 0.00 0.00 57.07 57.63 3hna s TYR 1053Cb 0.20 -2.18 0.14 0.00 -0.40 0.00 0.00 41.96 39.72 3hna s TYR 1053CO 0.31 0.52 0.83 -0.40 -1.57 0.00 0.00 175.55 175.24 3hna n ASP 1054N 2.56 0.33 0.21 2.29 5.68 0.33 -4.90 116.55 123.05 3hna n ASP 1054Ca -0.15 -1.46 0.15 0.00 -0.50 0.00 0.00 54.79 52.82 3hna n ASP 1054Cb 0.53 -0.61 0.67 0.00 -1.14 0.00 0.00 41.12 40.57 3hna n ASP 1054CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hna h LYS 1055N 0.00 0.00 -0.40 0.11 2.10 -1.95 -1.45 116.57 114.99 3hna h LYS 1055Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3hna h LYS 1055Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 3hna h LYS 1055CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 3hna n ASP 1056N -2.65 3.11 0.00 7.07 8.00 -1.26 -4.95 116.55 125.87 3hna n ASP 1056Ca 0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3hna n ASP 1056Cb 0.21 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3hna n ASP 1056CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hna n GLY 1057N 1.44 0.51 3.90 0.44 0.00 -0.54 -5.05 105.19 105.89 3hna n GLY 1057Ca 0.19 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3hna n GLY 1057CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hna s ARG 1058N -0.80 3.40 0.32 1.61 0.52 -1.26 -4.59 118.95 118.15 3hna s ARG 1058Ca 0.00 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 3hna s ARG 1058Cb 0.00 -3.06 -0.11 0.00 0.52 0.00 0.00 34.95 32.31 3hna s ARG 1058CO 0.00 0.65 1.48 -0.51 0.02 0.00 0.00 175.30 176.94 3hna s LEU 1059N -2.12 4.36 0.61 2.53 1.43 -0.07 -0.52 118.68 124.90 3hna s LEU 1059Ca 0.30 2.89 -0.19 0.00 -1.03 0.00 0.00 54.13 56.09 3hna s LEU 1059Cb -0.13 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3hna s LEU 1059CO 0.22 -0.80 1.29 -0.76 0.23 0.00 0.00 176.35 176.52 3hna s LEU 1060N -1.21 3.66 0.57 1.79 1.43 0.54 -4.80 118.68 120.67 3hna s LEU 1060Ca 0.57 2.60 0.27 0.00 -1.03 0.00 0.00 54.13 56.53 3hna s LEU 1060Cb -0.45 -4.53 1.58 0.00 0.03 0.00 0.00 46.19 42.81 3hna s LEU 1060CO 0.53 -1.80 2.09 -0.65 0.23 0.00 0.00 176.35 176.74 3hna h PRO 1061N 0.85 0.00 0.00 1.29 0.11 -1.93 -1.21 132.00 131.11 3hna h PRO 1061Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hna h PRO 1061Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hna h PRO 1061CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3hna n GLU 1062N -3.97 0.10 -1.69 1.05 4.71 -1.26 -4.81 120.64 114.77 3hna n GLU 1062Ca 0.02 0.24 -0.44 0.00 -0.01 0.00 0.00 57.16 56.97 3hna n GLU 1062Cb 0.35 -1.66 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 3hna n GLU 1062CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3hna n PHE 1063N -1.85 2.52 -2.61 -0.32 7.35 -0.46 -4.89 117.46 117.19 3hna n PHE 1063Ca 0.04 0.05 -0.41 0.00 -0.76 0.00 0.00 57.45 56.36 3hna n PHE 1063Cb 0.27 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 37.42 3hna n PHE 1063CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3hna s ASN 1064N 1.89 6.32 0.25 -2.13 3.84 -1.26 -4.85 114.94 119.00 3hna s ASN 1064Ca 0.80 -0.98 0.26 0.00 0.21 0.00 0.00 52.86 53.14 3hna s ASN 1064Cb -0.57 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.44 3hna s ASN 1064CO 0.38 -1.62 1.76 0.24 -2.79 0.00 0.00 177.10 175.06 3hna h MET 1065N 9.81 0.00 0.01 0.43 2.86 -1.94 -1.56 114.93 124.54 3hna h MET 1065Ca -0.08 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.36 3hna h MET 1065Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3hna h MET 1065CO 1.31 0.00 -0.95 0.00 1.06 0.00 0.00 176.91 178.33 3hna h ALA 1066N 2.40 0.44 -1.90 6.32 0.00 -2.02 -3.39 119.26 121.11 3hna h ALA 1066Ca 0.00 -0.83 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 3hna h ALA 1066Cb 0.65 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 17.95 3hna h ALA 1066CO 0.00 1.11 -1.02 -1.91 0.00 0.00 0.00 179.25 177.43 3hna n GLU 1067N -3.47 0.59 -1.82 0.00 2.13 -1.09 -5.13 120.64 111.83 3hna n GLU 1067Ca -0.01 -3.06 -0.41 0.00 0.66 0.00 0.00 57.16 54.33 3hna n GLU 1067Cb 0.88 -1.34 -0.02 0.00 0.27 0.00 0.00 31.44 31.24 3hna n GLU 1067CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3hna s PRO 1068N -0.70 4.15 0.78 5.31 0.02 -0.61 -4.75 135.00 139.20 3hna s PRO 1068Ca 0.34 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.78 3hna s PRO 1068Cb 0.14 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.69 3hna s PRO 1068CO -0.14 -0.58 1.08 -1.25 -0.33 0.00 0.00 177.00 175.79 3hna s PRO 1069N -0.69 2.18 0.19 5.54 0.04 -1.26 -4.94 135.00 136.07 3hna s PRO 1069Ca 0.61 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3hna s PRO 1069Cb -0.47 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 3hna s PRO 1069CO 0.49 -1.63 1.39 -0.51 0.04 0.00 0.00 177.00 176.78 3hna s LEU 1070N -5.86 4.39 -0.22 -3.56 1.43 -1.26 -4.62 118.68 108.97 3hna s LEU 1070Ca 0.61 2.48 -0.09 0.00 -1.03 0.00 0.00 54.13 56.10 3hna s LEU 1070Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3hna s LEU 1070CO 0.56 -0.63 0.11 -0.63 0.23 0.00 0.00 176.35 175.98 3hna s ILE 1071N 0.38 4.95 -0.37 -0.59 1.01 -0.65 -4.44 121.20 121.48 3hna s ILE 1071Ca 0.60 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 3hna s ILE 1071Cb -0.39 -3.28 0.06 0.00 0.01 0.00 0.00 42.46 38.86 3hna s ILE 1071CO 0.37 0.38 0.17 -0.36 0.00 0.00 0.00 174.94 175.50 3hna s PHE 1072N 0.96 3.31 0.65 3.97 0.08 -1.26 -0.41 117.98 125.29 3hna s PHE 1072Ca 0.06 -1.55 -0.10 0.00 0.12 0.00 0.00 56.93 55.45 3hna s PHE 1072Cb -0.14 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 3hna s PHE 1072CO 0.03 -0.79 1.04 -1.21 -0.10 0.00 0.00 175.22 174.19 3hna s GLU 1073N 1.39 3.16 0.76 0.44 2.02 -0.09 -4.58 118.70 121.80 3hna s GLU 1073Ca 0.01 0.50 -0.14 0.00 0.02 0.00 0.00 54.97 55.37 3hna s GLU 1073Cb -0.21 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 31.99 3hna s GLU 1073CO 0.02 -0.80 1.17 0.00 0.02 0.00 0.00 175.26 175.67 3hna n ASN 1075N -3.04 0.57 0.00 0.00 0.23 -1.26 -4.85 115.26 106.91 3hna n ASN 1075Ca 0.12 -2.52 0.10 0.00 -0.53 0.00 0.00 54.58 51.75 3hna n ASN 1075Cb 0.51 0.87 0.44 0.00 -2.08 0.00 0.00 39.78 39.52 3hna n ASN 1075CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hna n HIS 1076N -0.57 0.00 0.17 -2.53 1.44 -1.26 -2.08 115.22 110.38 3hna n HIS 1076Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 3hna n HIS 1076Cb 0.42 -0.47 0.03 0.00 0.12 0.00 0.00 29.99 30.10 3hna n HIS 1076CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hna h ALA 1077N 2.73 0.55 -2.64 1.59 0.00 -1.95 -3.48 119.26 116.05 3hna h ALA 1077Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3hna h ALA 1077Cb 0.32 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.23 3hna h ALA 1077CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.66 3hna h SER 1079N 0.15 0.00 -3.88 0.00 4.64 -1.50 -3.47 113.55 109.49 3hna h SER 1079Ca -0.48 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.39 3hna h SER 1079Cb 1.28 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.53 3hna h SER 1079CO 0.53 0.17 0.20 0.00 -0.87 0.00 0.00 176.83 176.85 3hna s TRP 1081N -3.01 3.55 -0.41 0.00 0.52 -1.26 -4.96 118.94 113.38 3hna s TRP 1081Ca 0.66 0.88 0.19 0.00 0.02 0.00 0.00 56.10 57.84 3hna s TRP 1081Cb -0.18 -2.40 0.95 0.00 -1.15 0.00 0.00 33.47 30.69 3hna s TRP 1081CO 0.57 -0.39 1.58 -2.13 0.02 0.00 0.00 176.95 176.60 3hna n ARG 1082N -2.37 0.13 -0.69 4.98 3.00 -1.26 -1.73 116.66 118.72 3hna n ARG 1082Ca 0.02 0.55 0.08 0.00 -0.00 0.00 0.00 57.85 58.50 3hna n ARG 1082Cb 0.55 -1.86 0.34 0.00 0.00 0.00 0.00 32.46 31.49 3hna n ARG 1082CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3hna n ASN 1083N -2.12 4.89 -4.59 6.15 6.94 -1.26 -4.97 115.26 120.29 3hna n ASN 1083Ca -0.00 -2.96 -0.29 0.00 -0.02 0.00 0.00 54.58 51.31 3hna n ASN 1083Cb 0.08 -0.62 0.21 0.00 -2.36 0.00 0.00 39.78 37.09 3hna n ASN 1083CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hna h ARG 1085N -2.22 0.39 -1.68 0.00 2.43 -1.22 -3.28 114.38 108.79 3hna h ARG 1085Ca -0.57 -0.04 -0.62 0.00 -0.81 0.00 0.00 59.98 57.94 3hna h ARG 1085Cb 1.33 -0.08 -0.23 0.00 -0.42 0.00 0.00 29.97 30.57 3hna h ARG 1085CO 0.54 0.30 0.76 -1.71 -1.51 0.00 0.00 179.97 178.35 3hna n ASN 1086N -4.44 7.16 -3.53 -3.80 5.15 -1.26 -4.75 115.26 109.79 3hna n ASN 1086Ca 0.01 -3.56 -0.19 0.00 -0.60 0.00 0.00 54.58 50.24 3hna n ASN 1086Cb 0.11 -1.09 -0.14 0.00 -0.53 0.00 0.00 39.78 38.14 3hna n ASN 1086CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hna s ARG 1087N -3.10 0.16 0.19 1.20 0.52 -1.24 -1.09 118.95 115.60 3hna s ARG 1087Ca 0.54 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 3hna s ARG 1087Cb 0.42 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.72 3hna s ARG 1087CO -0.21 -0.61 0.00 0.28 0.02 0.00 0.00 175.30 174.78 3hna n VAL 1088N 5.32 0.13 0.05 3.52 0.31 -1.26 -4.86 118.33 121.54 3hna n VAL 1088Ca -0.06 0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 3hna n VAL 1088Cb 0.49 -0.52 0.40 0.00 -0.91 0.00 0.00 33.84 33.30 3hna n VAL 1088CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hna h VAL 1089N 0.00 1.14 0.00 2.52 2.07 -1.95 -1.76 116.25 118.27 3hna h VAL 1089Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hna h VAL 1089Cb 0.00 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3hna h VAL 1089CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 3hna n GLN 1090N -4.37 0.06 0.00 1.57 10.64 -1.26 -1.82 117.38 122.19 3hna n GLN 1090Ca 0.01 0.23 0.12 0.00 -1.83 0.00 0.00 57.00 55.53 3hna n GLN 1090Cb 0.17 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 28.32 3hna n GLN 1090CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hna n ASN 1091N -1.44 0.76 0.00 2.61 3.02 -0.66 -5.05 115.26 114.50 3hna n ASN 1091Ca 0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3hna n ASN 1091Cb 0.15 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3hna n ASN 1091CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hna n GLY 1092N 1.44 -2.72 3.69 7.41 0.00 -0.76 -4.85 105.19 109.40 3hna n GLY 1092Ca 0.08 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3hna n GLY 1092CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hna n LEU 1093N 0.00 4.02 0.00 0.99 7.94 -1.26 -4.87 117.00 123.81 3hna n LEU 1093Ca 0.00 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3hna n LEU 1093Cb 0.00 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.41 3hna n LEU 1093CO 0.00 0.17 -0.49 0.54 -1.11 0.00 0.00 177.39 176.50 3hna n ARG 1094N 5.55 3.41 -1.37 1.96 1.74 -1.26 -4.22 116.66 122.47 3hna n ARG 1094Ca 0.18 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 3hna n ARG 1094Cb 0.37 -0.99 0.10 0.00 -1.02 0.00 0.00 32.46 30.92 3hna n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hna n ALA 1095N -2.03 0.21 -2.97 7.54 0.00 -1.26 -4.92 120.51 117.09 3hna n ALA 1095Ca 0.00 -0.19 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 3hna n ALA 1095Cb 0.49 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 3hna n ALA 1095CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hna s ARG 1096N -3.61 3.09 0.31 0.00 1.81 -1.26 -4.97 118.95 114.32 3hna s ARG 1096Ca 0.76 -1.07 0.08 0.00 -1.72 0.00 0.00 55.73 53.78 3hna s ARG 1096Cb -0.34 -4.22 -0.03 0.00 -0.45 0.00 0.00 34.95 29.91 3hna s ARG 1096CO 0.48 -1.58 0.20 -0.51 -0.68 0.00 0.00 175.30 173.21 3hna s LEU 1097N 3.14 3.50 -0.09 2.53 1.43 -1.26 -0.38 118.68 127.55 3hna s LEU 1097Ca 0.16 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3hna s LEU 1097Cb -0.21 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 43.99 3hna s LEU 1097CO 0.09 -0.23 0.23 -1.58 0.23 0.00 0.00 176.35 175.08 3hna s GLN 1098N -3.89 0.22 -0.05 1.70 0.74 -0.17 -4.05 119.66 114.16 3hna s GLN 1098Ca 0.37 0.41 -0.24 0.00 0.05 0.00 0.00 55.36 55.95 3hna s GLN 1098Cb -0.05 -0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 3hna s GLN 1098CO 0.24 -0.10 0.72 -1.17 -0.55 0.00 0.00 175.29 174.44 3hna s LEU 1099N 0.68 4.33 0.06 3.68 2.96 -0.06 -1.06 118.68 129.28 3hna s LEU 1099Ca -0.05 1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 55.05 3hna s LEU 1099Cb -0.06 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 3hna s LEU 1099CO -0.04 -0.11 0.11 -0.72 -1.32 0.00 0.00 176.35 174.27 3hna s TYR 1100N 0.73 0.26 -0.27 5.38 -0.85 -0.25 -0.57 117.35 121.78 3hna s TYR 1100Ca 0.39 -0.69 -0.22 0.00 -0.52 0.00 0.00 57.07 56.02 3hna s TYR 1100Cb -0.18 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 41.98 3hna s TYR 1100CO 0.19 -0.46 0.72 0.50 -1.52 0.00 0.00 175.55 174.99 3hna s ARG 1101N -3.56 4.08 0.69 -3.49 6.06 -0.93 -0.94 118.95 120.86 3hna s ARG 1101Ca 0.03 0.65 -0.08 0.00 -2.50 0.00 0.00 55.73 53.84 3hna s ARG 1101Cb 0.04 -3.67 0.04 0.00 0.06 0.00 0.00 34.95 31.42 3hna s ARG 1101CO -0.09 -0.52 1.02 0.95 -2.50 0.00 0.00 175.30 174.16 3hna s THR 1102N 2.72 2.76 0.11 4.11 -4.23 0.13 -4.64 115.64 116.59 3hna s THR 1102Ca 0.30 -0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 3hna s THR 1102Cb -0.15 -3.18 -0.22 0.00 1.34 0.00 0.00 72.50 70.29 3hna s THR 1102CO 0.09 -0.20 1.24 0.03 -0.54 0.00 0.00 174.62 175.24 3hna h ARG 1103N -0.55 0.45 0.00 3.99 2.47 -1.97 -3.41 114.38 115.35 3hna h ARG 1103Ca -0.45 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 57.74 3hna h ARG 1103Cb 1.29 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 3hna h ARG 1103CO 0.62 1.18 -0.40 -0.40 0.56 0.00 0.00 179.97 181.53 3hna n ASP 1104N -3.73 2.01 -2.73 7.04 5.75 -1.26 -4.83 116.55 118.80 3hna n ASP 1104Ca -0.08 -0.27 -0.04 0.00 -0.01 0.00 0.00 54.79 54.38 3hna n ASP 1104Cb 0.89 0.95 0.04 0.00 -1.03 0.00 0.00 41.12 41.97 3hna n ASP 1104CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3hna n MET 1105N -1.15 1.84 0.00 0.11 2.81 -1.26 -5.02 117.12 114.44 3hna n MET 1105Ca 0.00 -3.55 0.00 0.00 -1.81 0.00 0.00 57.70 52.34 3hna n MET 1105Cb 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 3hna n MET 1105CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hna n GLY 1106N -0.51 2.74 3.85 3.03 0.00 -1.26 -4.63 105.19 108.41 3hna n GLY 1106Ca 0.11 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3hna n GLY 1106CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hna s TRP 1107N 0.00 3.39 0.34 1.61 0.52 -1.26 -0.69 118.94 122.85 3hna s TRP 1107Ca 0.00 1.16 0.05 0.00 0.02 0.00 0.00 56.10 57.32 3hna s TRP 1107Cb 0.00 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 3hna s TRP 1107CO 0.00 0.09 0.35 0.20 0.02 0.00 0.00 176.95 177.61 3hna s GLY 1108N -2.37 2.12 -0.07 0.98 0.00 -0.11 -4.79 107.32 103.07 3hna s GLY 1108Ca 0.53 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 43.37 3hna s GLY 1108CO 0.19 -1.33 -0.22 0.14 0.00 0.00 0.00 173.10 171.88 3hna s VAL 1109N -3.26 1.85 0.29 1.40 1.01 -1.24 -1.09 120.40 119.36 3hna s VAL 1109Ca 0.38 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.54 3hna s VAL 1109Cb 0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3hna s VAL 1109CO 0.26 0.52 -0.15 0.00 0.00 0.00 0.00 175.10 175.73 3hna s ARG 1110N 0.16 1.80 0.02 2.72 1.70 -0.22 -0.38 118.95 124.74 3hna s ARG 1110Ca -0.11 -1.76 -0.18 0.00 -0.47 0.00 0.00 55.73 53.20 3hna s ARG 1110Cb -0.15 -1.81 -0.06 0.00 -0.57 0.00 0.00 34.95 32.36 3hna s ARG 1110CO 0.06 0.29 0.52 0.45 -1.08 0.00 0.00 175.30 175.53 3hna s SER 1111N -3.56 6.94 0.00 -2.89 0.15 -0.61 -1.00 113.70 112.73 3hna s SER 1111Ca 0.31 1.11 0.25 0.00 0.70 0.00 0.00 55.95 58.32 3hna s SER 1111Cb -0.03 -2.32 0.51 0.00 -1.71 0.00 0.00 66.02 62.46 3hna s SER 1111CO 0.16 0.22 1.42 0.18 1.20 0.00 0.00 173.24 176.42 3hna n LEU 1112N 2.19 1.55 -4.19 3.45 4.77 0.49 0.14 117.00 125.40 3hna n LEU 1112Ca -0.10 -0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.26 3hna n LEU 1112Cb 0.51 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3hna n LEU 1112CO 0.41 0.28 -0.33 -1.10 -1.33 0.00 0.00 177.39 175.32 3hna s GLN 1113N -2.39 0.97 0.31 3.23 -0.21 -1.26 -4.57 119.66 115.74 3hna s GLN 1113Ca 0.25 -1.45 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 3hna s GLN 1113Cb 0.19 -0.05 -0.10 0.00 1.00 0.00 0.00 33.01 34.05 3hna s GLN 1113CO 0.50 -0.16 1.41 -0.51 -2.12 0.00 0.00 175.29 174.41 3hna s ASP 1114N -3.09 6.62 -0.23 5.90 1.11 -1.26 -3.51 116.67 122.21 3hna s ASP 1114Ca 0.21 2.77 0.02 0.00 0.18 0.00 0.00 52.55 55.73 3hna s ASP 1114Cb 0.07 -2.64 0.05 0.00 1.07 0.00 0.00 42.92 41.46 3hna s ASP 1114CO 0.01 -0.69 -0.14 -0.63 1.18 0.00 0.00 175.17 174.91 3hna s ILE 1115N -0.64 2.04 0.85 0.77 1.01 0.64 -4.92 121.20 120.96 3hna s ILE 1115Ca 0.54 -1.32 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3hna s ILE 1115Cb -0.42 -2.06 0.11 0.00 0.01 0.00 0.00 42.46 40.10 3hna s ILE 1115CO 0.51 0.17 1.18 -2.84 0.00 0.00 0.00 174.94 173.96 3hna s PRO 1116N 1.21 1.36 0.51 2.79 0.02 -1.26 -0.66 135.00 138.97 3hna s PRO 1116Ca -0.03 1.66 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 3hna s PRO 1116Cb -0.17 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 3hna s PRO 1116CO -0.08 -2.40 1.34 -0.35 -0.33 0.00 0.00 177.00 175.18 3hna n PRO 1117N -3.72 1.81 -1.06 5.54 -0.04 -1.25 -3.21 135.00 133.07 3hna n PRO 1117Ca 0.13 0.66 -0.02 0.00 -0.04 0.00 0.00 63.50 64.22 3hna n PRO 1117Cb 0.51 -2.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.43 3hna n PRO 1117CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hna n GLY 1118N 0.76 0.55 3.82 0.55 0.00 0.00 -4.72 105.19 106.15 3hna n GLY 1118Ca 0.09 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 3hna n GLY 1118CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hna s THR 1119N -2.06 5.09 0.05 2.61 2.01 -1.20 -0.89 115.64 121.25 3hna s THR 1119Ca 0.00 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 3hna s THR 1119Cb 0.00 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 3hna s THR 1119CO 0.00 0.54 1.50 0.12 -0.69 0.00 0.00 174.62 176.10 3hna s PHE 1120N -0.80 2.77 -0.19 4.92 5.36 -1.26 -1.01 117.98 127.76 3hna s PHE 1120Ca 0.23 0.64 -0.15 0.00 -0.96 0.00 0.00 56.93 56.69 3hna s PHE 1120Cb -0.16 -3.79 -0.07 0.00 -0.34 0.00 0.00 43.02 38.65 3hna s PHE 1120CO 0.12 -3.03 -0.31 0.28 -1.46 0.00 0.00 175.22 170.82 3hna n VAL 1121N 4.53 1.43 -3.68 3.12 0.31 0.48 -4.77 118.33 119.75 3hna n VAL 1121Ca 0.14 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.38 3hna n VAL 1121Cb 0.42 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.23 3hna n VAL 1121CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hna s GLU 1123N -3.33 2.91 -0.66 0.00 2.12 -1.26 -0.35 118.70 118.13 3hna s GLU 1123Ca 0.10 -0.63 -0.26 0.00 0.36 0.00 0.00 54.97 54.54 3hna s GLU 1123Cb -0.02 -2.75 0.04 0.00 0.26 0.00 0.00 34.13 31.66 3hna s GLU 1123CO -0.01 0.59 1.13 -0.47 -0.54 0.00 0.00 175.26 175.96 3hna s TYR 1124N -1.31 2.52 -0.05 5.30 5.04 0.21 -4.50 117.35 124.57 3hna s TYR 1124Ca 0.27 -0.10 -0.01 0.00 -2.44 0.00 0.00 57.07 54.79 3hna s TYR 1124Cb -0.12 -4.43 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 3hna s TYR 1124CO 0.19 -1.76 0.02 0.08 -1.34 0.00 0.00 175.55 172.74 3hna s VAL 1125N 4.87 4.39 0.00 3.14 1.01 -1.26 -4.54 120.40 128.01 3hna s VAL 1125Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hna s VAL 1125Cb -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hna s VAL 1125CO 0.16 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3hna n GLY 1126N 1.75 0.93 3.61 4.51 0.00 -1.26 -3.14 105.19 111.58 3hna n GLY 1126Ca -0.16 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3hna n GLY 1126CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hna s GLU 1127N 1.63 3.98 -0.14 1.61 2.12 -0.16 -1.17 118.70 126.58 3hna s GLU 1127Ca 0.00 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.28 3hna s GLU 1127Cb 0.00 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3hna s GLU 1127CO 0.00 -0.43 1.14 -0.51 -0.54 0.00 0.00 175.26 174.92 3hna s LEU 1128N 2.37 4.20 0.17 2.70 1.43 0.01 -0.60 118.68 128.95 3hna s LEU 1128Ca 0.21 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 3hna s LEU 1128Cb -0.15 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 3hna s LEU 1128CO 0.10 -0.63 0.02 0.27 0.23 0.00 0.00 176.35 176.35 3hna s ILE 1129N 2.79 0.55 0.63 -0.59 -4.36 -0.18 -4.50 121.20 115.54 3hna s ILE 1129Ca 0.51 -1.97 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 3hna s ILE 1129Cb -0.20 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 3hna s ILE 1129CO 0.15 -0.42 1.04 -0.94 0.24 0.00 0.00 174.94 175.01 3hna s SER 1130N -3.16 5.79 0.27 4.36 1.04 -1.26 -0.65 113.70 120.09 3hna s SER 1130Ca 0.25 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.32 3hna s SER 1130Cb 0.07 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.29 3hna s SER 1130CO 0.05 -1.16 1.75 -0.78 0.98 0.00 0.00 173.24 174.07 3hna h ASP 1131N -0.15 0.51 -0.16 7.02 3.58 -1.66 0.18 116.42 125.74 3hna h ASP 1131Ca -0.45 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.12 3hna h ASP 1131Cb 1.21 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 3hna h ASP 1131CO 0.58 0.17 0.07 -1.28 -2.88 0.00 0.00 179.24 175.90 3hna h SER 1132N 0.58 0.10 -0.51 2.28 0.87 -1.93 -1.90 113.55 113.04 3hna h SER 1132Ca 0.50 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 61.00 3hna h SER 1132Cb 0.79 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 3hna h SER 1132CO -0.41 0.08 0.06 -0.08 -0.53 0.00 0.00 176.83 175.96 3hna h GLU 1133N 0.16 0.86 -0.23 2.24 4.57 -1.82 -2.59 114.58 117.78 3hna h GLU 1133Ca 0.06 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3hna h GLU 1133Cb 0.02 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3hna h GLU 1133CO -0.05 0.86 0.16 0.00 -1.18 0.00 0.00 179.01 178.80 3hna h ALA 1134N 0.97 2.09 0.00 2.92 0.00 -0.76 -2.03 119.26 122.45 3hna h ALA 1134Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hna h ALA 1134Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hna h ALA 1134CO 0.01 -0.14 0.00 -3.47 0.00 0.00 0.00 179.25 175.66 3hna n ASP 1135N -4.49 0.23 -0.20 0.00 2.03 -0.73 -2.70 116.55 110.69 3hna n ASP 1135Ca 0.02 0.54 0.02 0.00 0.52 0.00 0.00 54.79 55.89 3hna n ASP 1135Cb 0.23 -0.60 0.04 0.00 -0.72 0.00 0.00 41.12 40.08 3hna n ASP 1135CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3hna n VAL 1136N -1.74 0.79 -2.55 5.18 0.24 -0.77 -4.92 118.33 114.55 3hna n VAL 1136Ca 0.04 -0.90 -0.41 0.00 -2.04 0.00 0.00 64.34 61.04 3hna n VAL 1136Cb 0.26 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 3hna n VAL 1136CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3hna s ARG 1137N -0.86 3.34 0.44 7.34 1.81 -1.10 -4.90 118.95 125.03 3hna s ARG 1137Ca 0.07 -0.58 0.11 0.00 -1.72 0.00 0.00 55.73 53.61 3hna s ARG 1137Cb 0.04 -4.64 0.96 0.00 -0.45 0.00 0.00 34.95 30.87 3hna s ARG 1137CO 0.05 -2.18 2.03 1.05 -0.68 0.00 0.00 175.30 175.57 3hna h GLU 1138N 9.95 0.23 -5.60 3.54 9.09 -1.91 -3.21 114.58 126.67 3hna h GLU 1138Ca -0.09 -0.03 -0.64 0.00 0.05 0.00 0.00 59.36 58.65 3hna h GLU 1138Cb 1.03 -0.04 -0.14 0.00 -1.65 0.00 0.00 28.75 27.96 3hna h GLU 1138CO 1.34 0.24 1.14 -1.21 0.05 0.00 0.00 179.01 180.57 3hna s GLU 1139N -5.02 3.56 0.00 1.06 2.02 -1.26 -4.81 118.70 114.24 3hna s GLU 1139Ca -0.06 -1.36 0.21 0.00 0.02 0.00 0.00 54.97 53.77 3hna s GLU 1139Cb 0.16 -5.07 0.40 0.00 0.10 0.00 0.00 34.13 29.73 3hna s GLU 1139CO 0.71 -1.99 1.35 -0.40 0.02 0.00 0.00 175.26 174.94 3hna n ASP 1140N 7.80 3.32 0.07 -0.19 5.75 -1.21 -4.61 116.55 127.48 3hna n ASP 1140Ca 0.26 -1.95 0.10 0.00 -0.01 0.00 0.00 54.79 53.19 3hna n ASP 1140Cb 0.50 -0.25 0.41 0.00 -1.03 0.00 0.00 41.12 40.75 3hna n ASP 1140CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hna n SER 1141N 1.32 0.37 -0.00 -1.12 7.64 -1.26 -3.01 113.62 117.55 3hna n SER 1141Ca 0.18 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.65 3hna n SER 1141Cb 0.56 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3hna n SER 1141CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3hna n TYR 1142N -1.91 0.00 -2.53 1.43 4.01 -1.26 -5.04 117.16 111.86 3hna n TYR 1142Ca 0.03 -0.51 -0.41 0.00 -0.16 0.00 0.00 57.90 56.85 3hna n TYR 1142Cb 0.21 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3hna n TYR 1142CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hna s LEU 1143N -1.04 4.53 -0.17 7.72 1.43 -1.16 -1.94 118.68 128.04 3hna s LEU 1143Ca 0.01 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.21 3hna s LEU 1143Cb 0.01 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3hna s LEU 1143CO 0.00 -0.15 0.02 0.12 0.23 0.00 0.00 176.35 176.57 3hna s PHE 1144N -0.65 1.12 0.10 0.29 5.99 0.70 -4.98 117.98 120.55 3hna s PHE 1144Ca 0.47 -0.82 -0.31 0.00 0.00 0.00 0.00 56.93 56.27 3hna s PHE 1144Cb -0.30 -1.05 -0.07 0.00 0.00 0.00 0.00 43.02 41.60 3hna s PHE 1144CO 0.36 -0.58 1.25 -0.51 -0.00 0.00 0.00 175.22 175.75 3hna s ASP 1145N 1.83 7.01 0.29 6.13 1.11 -1.26 -0.80 116.67 130.98 3hna s ASP 1145Ca -0.00 2.13 0.25 0.00 0.18 0.00 0.00 52.55 55.11 3hna s ASP 1145Cb -0.16 -2.59 0.61 0.00 1.07 0.00 0.00 42.92 41.85 3hna s ASP 1145CO -0.07 -0.50 1.69 -0.07 1.18 0.00 0.00 175.17 177.40 3hna h LEU 1146N 6.52 0.00 -7.30 1.23 3.38 -1.53 -3.46 115.31 114.16 3hna h LEU 1146Ca -0.42 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3hna h LEU 1146Cb 1.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 3hna h LEU 1146CO 0.81 0.00 -0.12 -0.62 0.09 0.00 0.00 178.44 178.61 3hna s ASP 1147N -5.17 -0.41 0.00 -0.43 -1.08 -1.26 -4.86 116.67 103.46 3hna s ASP 1147Ca 0.09 0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.89 3hna s ASP 1147Cb 0.10 0.59 0.29 0.00 -1.46 0.00 0.00 42.92 42.43 3hna s ASP 1147CO 0.63 -0.40 1.31 0.59 0.52 0.00 0.00 175.17 177.82 3hna n ASN 1148N 1.69 3.17 -4.92 -0.34 3.02 -1.26 -4.87 115.26 111.75 3hna n ASN 1148Ca -0.18 -1.98 -0.26 0.00 -0.03 0.00 0.00 54.58 52.12 3hna n ASN 1148Cb 0.56 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.70 3hna n ASN 1148CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3hna s LYS 1149N -1.73 2.15 0.63 3.52 -2.85 -1.26 -5.08 119.74 115.12 3hna s LYS 1149Ca 0.32 -0.19 -0.14 0.00 -1.00 0.00 0.00 55.97 54.96 3hna s LYS 1149Cb 0.21 -2.13 -0.02 0.00 -2.06 0.00 0.00 37.83 33.83 3hna s LYS 1149CO 0.30 -1.31 1.07 -0.51 0.10 0.00 0.00 175.35 175.00 3hna s ASP 1150N -4.53 5.52 0.00 0.03 1.01 -1.26 -4.90 116.67 112.54 3hna s ASP 1150Ca 0.60 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.68 3hna s ASP 1150Cb -0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3hna s ASP 1150CO 0.45 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 175.10 3hna n GLY 1151N -1.07 0.65 3.54 0.21 0.00 -1.26 -4.85 105.19 102.40 3hna n GLY 1151Ca 0.09 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3hna n GLY 1151CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hna s GLU 1152N 0.00 3.40 0.08 1.61 2.12 -1.26 -4.95 118.70 119.71 3hna s GLU 1152Ca 0.00 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.53 3hna s GLU 1152Cb 0.00 -4.80 -0.04 0.00 0.26 0.00 0.00 34.13 29.56 3hna s GLU 1152CO 0.00 -2.12 -0.07 0.14 -0.54 0.00 0.00 175.26 172.67 3hna s VAL 1153N 5.00 0.69 0.28 3.70 -7.23 -1.26 -4.99 120.40 116.59 3hna s VAL 1153Ca 0.39 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 3hna s VAL 1153Cb -0.05 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 3hna s VAL 1153CO 0.01 -0.69 0.03 -0.31 -0.31 0.00 0.00 175.10 173.83 3hna s TYR 1154N -2.80 1.78 0.08 2.82 2.02 -1.26 -1.81 117.35 118.19 3hna s TYR 1154Ca 0.05 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.78 3hna s TYR 1154Cb -0.00 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3hna s TYR 1154CO -0.03 -0.01 0.05 0.00 -1.57 0.00 0.00 175.55 173.99 3hna s ILE 1156N -3.95 3.50 -0.34 0.00 1.01 0.02 -1.01 121.20 120.43 3hna s ILE 1156Ca 0.12 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 3hna s ILE 1156Cb 0.07 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 3hna s ILE 1156CO -0.07 0.44 0.20 -0.62 0.00 0.00 0.00 174.94 174.90 3hna s ASP 1157N 1.20 5.81 -0.08 3.58 2.15 0.23 -0.22 116.67 129.34 3hna s ASP 1157Ca 0.03 -0.58 0.15 0.00 0.43 0.00 0.00 52.55 52.58 3hna s ASP 1157Cb -0.14 -2.07 0.59 0.00 -0.30 0.00 0.00 42.92 40.99 3hna s ASP 1157CO -0.01 -0.26 1.47 0.00 -0.17 0.00 0.00 175.17 176.21 3hna n ALA 1158N 5.05 2.94 0.07 3.66 0.00 -0.82 -0.98 120.51 130.42 3hna n ALA 1158Ca -0.13 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.91 3hna n ALA 1158Cb 0.49 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 3hna n ALA 1158CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hna h ARG 1159N 3.39 -0.15 0.04 0.00 9.65 -1.92 -3.36 114.38 122.02 3hna h ARG 1159Ca 0.00 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.53 3hna h ARG 1159Cb 1.19 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.76 3hna h ARG 1159CO 0.17 0.10 -2.17 1.19 2.80 0.00 0.00 179.97 182.07 3hna n PHE 1160N -5.05 0.58 -4.18 2.20 3.72 -1.26 -4.69 117.46 108.77 3hna n PHE 1160Ca -0.09 0.15 -0.26 0.00 -0.05 0.00 0.00 57.45 57.21 3hna n PHE 1160Cb 0.18 -1.09 -0.17 0.00 -0.94 0.00 0.00 39.48 37.47 3hna n PHE 1160CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3hna s TYR 1161N -2.54 1.45 0.17 1.38 2.02 -1.26 -0.60 117.35 117.97 3hna s TYR 1161Ca -0.21 -0.64 -0.24 0.00 -0.37 0.00 0.00 57.07 55.61 3hna s TYR 1161Cb 0.07 -1.15 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 3hna s TYR 1161CO 0.74 -0.41 0.84 0.20 -1.57 0.00 0.00 175.55 175.35 3hna s GLY 1162N 1.26 -0.27 0.00 0.71 0.00 -0.76 -3.62 107.32 104.65 3hna s GLY 1162Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3hna s GLY 1162CO -0.03 0.04 0.00 1.16 0.00 0.00 0.00 173.10 174.27 3hna n ASN 1163N -0.42 0.73 0.16 1.64 6.94 -1.19 -1.14 115.26 121.98 3hna n ASN 1163Ca -0.07 -0.36 0.16 0.00 -0.02 0.00 0.00 54.58 54.29 3hna n ASN 1163Cb 0.61 0.00 0.74 0.00 -2.36 0.00 0.00 39.78 38.77 3hna n ASN 1163CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3hna h VAL 1164N 0.13 0.68 0.00 3.53 3.04 -1.89 -2.10 116.25 119.63 3hna h VAL 1164Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3hna h VAL 1164Cb 0.00 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 3hna h VAL 1164CO 0.00 0.00 -0.01 0.28 -1.01 0.00 0.00 177.57 176.83 3hna h SER 1165N 0.00 0.00 0.36 3.17 0.02 -1.93 -1.97 113.55 113.20 3hna h SER 1165Ca 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3hna h SER 1165Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3hna h SER 1165CO -0.00 0.01 -0.01 0.08 -1.14 0.00 0.00 176.83 175.76 3hna h ARG 1166N 0.00 0.00 -0.07 3.45 0.11 -1.70 -2.16 114.38 114.01 3hna h ARG 1166Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hna h ARG 1166Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3hna h ARG 1166CO 0.00 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.27 3hna n PHE 1167N -3.17 0.07 -2.42 4.08 3.72 -0.74 -4.92 117.46 114.09 3hna n PHE 1167Ca -0.02 -0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 3hna n PHE 1167Cb 0.16 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3hna n PHE 1167CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hna s ILE 1168N -1.93 4.25 0.68 4.37 1.01 -0.81 -3.72 121.20 125.04 3hna s ILE 1168Ca 0.33 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 3hna s ILE 1168Cb 0.20 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 3hna s ILE 1168CO 0.31 -0.09 1.05 0.20 0.00 0.00 0.00 174.94 176.41 3hna s ASN 1169N 1.86 5.58 0.28 3.58 0.02 -1.26 -4.87 114.94 120.12 3hna s ASN 1169Ca 0.56 1.55 -0.29 0.00 -1.02 0.00 0.00 52.86 53.65 3hna s ASN 1169Cb -0.23 -2.47 -0.09 0.00 0.02 0.00 0.00 41.25 38.48 3hna s ASN 1169CO 0.17 -1.31 1.08 -2.28 0.02 0.00 0.00 177.10 174.78 3hna s HIS 1170N -3.09 3.63 -0.01 2.20 5.65 -1.26 -2.96 115.29 119.45 3hna s HIS 1170Ca 0.57 1.73 0.01 0.00 0.25 0.00 0.00 55.06 57.62 3hna s HIS 1170Cb -0.13 -3.24 0.01 0.00 -1.18 0.00 0.00 32.58 28.03 3hna s HIS 1170CO 0.55 -0.42 -0.03 -1.58 -0.65 0.00 0.00 174.74 172.61 3hna s HIS 1171N -1.17 0.33 -0.18 3.88 2.46 -0.52 -4.65 115.29 115.43 3hna s HIS 1171Ca 0.44 -0.05 0.29 0.00 0.47 0.00 0.00 55.06 56.21 3hna s HIS 1171Cb -0.31 -0.27 0.91 0.00 -0.13 0.00 0.00 32.58 32.78 3hna s HIS 1171CO 0.40 -0.04 1.81 0.00 -2.47 0.00 0.00 174.74 174.44 3hna n GLU 1173N -3.01 1.82 -2.48 0.00 -0.58 -1.26 -4.94 120.64 110.19 3hna n GLU 1173Ca 0.02 -4.17 -0.34 0.00 -0.42 0.00 0.00 57.16 52.26 3hna n GLU 1173Cb 0.40 -1.94 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 3hna n GLU 1173CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hna s PRO 1174N -1.87 3.75 0.00 3.49 0.04 -1.24 -4.97 135.00 134.20 3hna s PRO 1174Ca 0.37 1.33 0.27 0.00 0.04 0.00 0.00 61.00 63.00 3hna s PRO 1174Cb 0.13 -2.09 0.79 0.00 0.04 0.00 0.00 34.50 33.37 3hna s PRO 1174CO -0.07 -0.47 1.59 0.27 0.04 0.00 0.00 177.00 178.36 3hna n ASN 1175N -1.11 1.50 -4.26 6.66 0.23 -1.12 -4.79 115.26 112.37 3hna n ASN 1175Ca 0.09 -1.32 -0.24 0.00 -0.53 0.00 0.00 54.58 52.58 3hna n ASN 1175Cb 0.53 0.08 -0.13 0.00 -2.08 0.00 0.00 39.78 38.18 3hna n ASN 1175CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hna s LEU 1176N -2.22 2.24 -0.05 -4.53 1.43 -0.50 -0.86 118.68 114.20 3hna s LEU 1176Ca 0.31 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3hna s LEU 1176Cb 0.20 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3hna s LEU 1176CO 0.42 0.09 -0.15 0.54 0.23 0.00 0.00 176.35 177.48 3hna s VAL 1177N -1.02 1.26 0.20 -1.59 0.11 -0.31 -4.47 120.40 114.59 3hna s VAL 1177Ca 0.06 -0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 3hna s VAL 1177Cb -0.09 -1.10 -0.08 0.00 -1.53 0.00 0.00 36.38 33.57 3hna s VAL 1177CO 0.03 0.37 0.97 -2.16 -3.33 0.00 0.00 175.10 170.99 3hna s PRO 1178N 0.26 4.77 -0.03 1.54 0.04 -1.26 -1.43 135.00 138.88 3hna s PRO 1178Ca -0.07 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.53 3hna s PRO 1178Cb -0.12 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 3hna s PRO 1178CO 0.03 0.37 -0.15 0.08 0.04 0.00 0.00 177.00 177.37 3hna s VAL 1179N -0.75 1.22 -0.10 -0.36 1.01 0.65 -4.94 120.40 117.13 3hna s VAL 1179Ca 0.44 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 3hna s VAL 1179Cb -0.26 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3hna s VAL 1179CO 0.32 0.36 0.86 -0.13 0.00 0.00 0.00 175.10 176.51 3hna s ARG 1180N 0.01 4.41 0.01 2.72 0.52 -1.26 -0.76 118.95 124.61 3hna s ARG 1180Ca -0.02 1.13 0.04 0.00 -0.52 0.00 0.00 55.73 56.36 3hna s ARG 1180Cb -0.10 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 3hna s ARG 1180CO 0.01 -0.17 -0.13 0.08 0.02 0.00 0.00 175.30 175.11 3hna s VAL 1181N 1.56 1.04 -0.06 3.52 1.01 -0.14 -1.64 120.40 125.69 3hna s VAL 1181Ca 0.43 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3hna s VAL 1181Cb -0.18 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3hna s VAL 1181CO 0.18 0.15 -0.23 -0.36 0.00 0.00 0.00 175.10 174.84 3hna s PHE 1182N -0.56 2.51 0.00 5.22 0.08 0.45 -1.45 117.98 124.22 3hna s PHE 1182Ca 0.03 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3hna s PHE 1182Cb -0.06 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3hna s PHE 1182CO 0.00 -0.17 0.00 -1.33 -0.10 0.00 0.00 175.22 173.62 3hna n MET 1183N 2.93 0.00 0.25 0.44 2.81 -1.26 -0.91 117.12 121.38 3hna n MET 1183Ca -0.17 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.85 3hna n MET 1183Cb 0.52 0.00 0.54 0.00 -0.71 0.00 0.00 33.22 33.57 3hna n MET 1183CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hna h ALA 1184N 1.00 1.01 -2.30 3.04 0.00 -1.93 -3.43 119.26 116.65 3hna h ALA 1184Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 3hna h ALA 1184Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.63 3hna h ALA 1184CO 0.00 0.12 -0.65 -3.38 0.00 0.00 0.00 179.25 175.35 3hna s HIS 1185N -3.62 1.31 -0.22 0.00 0.00 -1.26 -4.93 115.29 106.57 3hna s HIS 1185Ca 0.01 -1.07 0.15 0.00 -3.00 0.00 0.00 55.06 51.15 3hna s HIS 1185Cb 0.09 -0.75 0.46 0.00 -4.00 0.00 0.00 32.58 28.38 3hna s HIS 1185CO 0.60 -0.25 1.17 1.04 -1.00 0.00 0.00 174.74 176.29 3hna n GLN 1186N -0.31 2.19 -2.46 -0.38 6.02 -1.26 -4.78 117.38 116.39 3hna n GLN 1186Ca -0.04 -3.51 -0.43 0.00 -0.01 0.00 0.00 57.00 53.01 3hna n GLN 1186Cb 0.64 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 3hna n GLN 1186CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hna s ASP 1187N -3.36 6.44 0.35 1.08 -1.08 -1.26 -4.89 116.67 113.94 3hna s ASP 1187Ca 0.39 0.60 0.26 0.00 -0.52 0.00 0.00 52.55 53.28 3hna s ASP 1187Cb 0.37 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 40.51 3hna s ASP 1187CO -0.03 -1.39 1.78 -0.07 0.52 0.00 0.00 175.17 175.98 3hna h LEU 1188N 11.89 0.00 -1.38 -1.34 3.38 -1.98 -0.49 115.31 125.37 3hna h LEU 1188Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hna h LEU 1188Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hna h LEU 1188CO 1.12 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.68 3hna h ARG 1189N 0.00 0.00 -2.14 1.13 3.08 -1.94 -3.37 114.38 111.15 3hna h ARG 1189Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3hna h ARG 1189Cb 0.22 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.86 3hna h ARG 1189CO 0.00 0.00 -0.90 1.19 -1.07 0.00 0.00 179.97 179.19 3hna n PHE 1190N -2.91 2.04 -1.70 3.04 3.72 -0.19 -4.51 117.46 116.96 3hna n PHE 1190Ca 0.01 -3.90 -0.34 0.00 -0.05 0.00 0.00 57.45 53.17 3hna n PHE 1190Cb 0.28 -0.46 0.06 0.00 -0.94 0.00 0.00 39.48 38.42 3hna n PHE 1190CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3hna s PRO 1191N -2.70 2.59 0.01 -1.08 0.04 -1.26 -4.87 135.00 127.73 3hna s PRO 1191Ca 0.43 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 3hna s PRO 1191Cb 0.28 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 3hna s PRO 1191CO -0.10 -1.46 0.19 1.03 0.04 0.00 0.00 177.00 176.70 3hna s ARG 1192N -3.85 3.44 -0.38 4.56 0.52 -0.53 -4.90 118.95 117.81 3hna s ARG 1192Ca 0.72 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 55.47 3hna s ARG 1192Cb -0.26 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.15 3hna s ARG 1192CO 0.41 0.66 0.22 0.42 0.02 0.00 0.00 175.30 177.03 3hna s ILE 1193N -1.36 4.69 -0.17 1.52 -1.09 -1.26 -0.97 121.20 122.56 3hna s ILE 1193Ca 0.29 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 3hna s ILE 1193Cb -0.13 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3hna s ILE 1193CO 0.21 -0.24 -0.01 0.00 -1.23 0.00 0.00 174.94 173.66 3hna s ALA 1194N 1.58 3.07 -0.20 9.38 0.00 0.06 -0.62 121.76 135.04 3hna s ALA 1194Ca 0.03 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 3hna s ALA 1194Cb -0.19 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3hna s ALA 1194CO 0.07 0.13 0.55 -0.06 0.00 0.00 0.00 175.76 176.45 3hna s PHE 1195N 0.51 3.37 0.03 0.00 0.08 0.53 -0.26 117.98 122.24 3hna s PHE 1195Ca -0.02 0.81 0.05 0.00 0.12 0.00 0.00 56.93 57.89 3hna s PHE 1195Cb -0.14 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.57 3hna s PHE 1195CO 0.02 -0.12 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.87 3hna s PHE 1196N 1.72 2.80 0.33 0.36 0.08 -0.51 -0.39 117.98 122.37 3hna s PHE 1196Ca 0.25 -0.10 -0.28 0.00 0.12 0.00 0.00 56.93 56.92 3hna s PHE 1196Cb -0.16 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.64 3hna s PHE 1196CO 0.10 0.36 1.25 -1.54 -0.10 0.00 0.00 175.22 175.28 3hna s SER 1197N -1.56 6.83 0.00 1.36 1.04 -0.18 -1.16 113.70 120.03 3hna s SER 1197Ca 0.17 2.57 0.23 0.00 0.48 0.00 0.00 55.95 59.40 3hna s SER 1197Cb -0.11 -2.64 0.11 0.00 0.10 0.00 0.00 66.02 63.48 3hna s SER 1197CO 0.08 -0.48 1.14 0.35 0.98 0.00 0.00 173.24 175.31 3hna n THR 1198N 0.78 0.00 -3.82 2.02 -2.24 -0.04 -0.82 114.28 110.16 3hna n THR 1198Ca 0.00 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 3hna n THR 1198Cb 0.43 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3hna n THR 1198CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hna s ARG 1199N -2.82 1.49 0.14 -0.78 1.70 -1.26 -4.82 118.95 112.60 3hna s ARG 1199Ca 0.13 -0.90 -0.31 0.00 -0.47 0.00 0.00 55.73 54.17 3hna s ARG 1199Cb 0.17 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 34.90 3hna s ARG 1199CO 0.72 -0.69 1.74 -1.17 -1.08 0.00 0.00 175.30 174.82 3hna s LEU 1200N -3.13 4.38 -0.26 -1.89 2.96 -1.26 -3.78 118.68 115.70 3hna s LEU 1200Ca 0.16 2.73 -0.08 0.00 -0.22 0.00 0.00 54.13 56.72 3hna s LEU 1200Cb -0.03 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3hna s LEU 1200CO 0.06 -0.95 0.09 -0.63 -1.32 0.00 0.00 176.35 173.60 3hna s ILE 1201N 2.10 4.49 0.40 6.68 1.01 0.16 -4.95 121.20 131.08 3hna s ILE 1201Ca 0.77 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 61.06 3hna s ILE 1201Cb -0.46 -3.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3hna s ILE 1201CO 0.34 0.31 0.98 -1.61 0.00 0.00 0.00 174.94 174.96 3hna s GLU 1202N 1.64 4.28 0.12 2.79 2.02 -1.26 -0.26 118.70 128.03 3hna s GLU 1202Ca 0.06 1.29 -0.35 0.00 0.02 0.00 0.00 54.97 55.99 3hna s GLU 1202Cb -0.15 -2.43 -0.16 0.00 0.10 0.00 0.00 34.13 31.48 3hna s GLU 1202CO 0.05 0.00 1.32 0.00 0.02 0.00 0.00 175.26 176.65 3hna n ALA 1203N -0.19 -0.61 0.00 5.21 0.00 -1.23 -1.22 120.51 122.48 3hna n ALA 1203Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hna n ALA 1203Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3hna n ALA 1203CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hna n GLY 1204N 2.47 3.42 3.76 0.00 0.00 0.12 -4.93 105.19 110.02 3hna n GLY 1204Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hna n GLY 1204CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hna s GLU 1205N -0.84 4.53 0.25 1.61 2.12 -0.36 -4.70 118.70 121.32 3hna s GLU 1205Ca 0.00 1.93 -0.30 0.00 0.36 0.00 0.00 54.97 56.97 3hna s GLU 1205Cb 0.00 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 3hna s GLU 1205CO 0.00 0.04 1.27 -1.14 -0.54 0.00 0.00 175.26 174.89 3hna s GLN 1206N -1.28 4.43 0.35 4.30 0.74 -1.26 -1.57 119.66 125.36 3hna s GLN 1206Ca 0.47 2.06 -0.26 0.00 0.05 0.00 0.00 55.36 57.68 3hna s GLN 1206Cb -0.34 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.52 3hna s GLN 1206CO 0.43 -0.15 1.04 -0.51 -0.55 0.00 0.00 175.29 175.56 3hna s LEU 1207N -0.86 4.31 -0.08 3.68 1.43 0.49 -4.92 118.68 122.73 3hna s LEU 1207Ca 0.52 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 55.51 3hna s LEU 1207Cb -0.37 -3.97 0.04 0.00 0.03 0.00 0.00 46.19 41.92 3hna s LEU 1207CO 0.43 -0.30 0.43 -0.83 0.23 0.00 0.00 176.35 176.31 3hna s GLY 1208N -1.36 -0.30 0.20 -3.19 0.00 -1.26 -4.07 107.32 97.35 3hna s GLY 1208Ca 0.52 0.85 0.01 0.00 0.00 0.00 0.00 44.72 46.11 3hna s GLY 1208CO 0.31 0.63 0.04 -0.11 0.00 0.00 0.00 173.10 173.97 3hna s PHE 1209N -0.72 1.29 -0.52 1.90 -0.12 -1.15 -1.41 117.98 117.25 3hna s PHE 1209Ca -0.08 -1.11 -0.26 0.00 -0.05 0.00 0.00 56.93 55.44 3hna s PHE 1209Cb -0.04 -0.74 0.03 0.00 -0.63 0.00 0.00 43.02 41.65 3hna s PHE 1209CO 0.04 -0.30 1.00 0.34 -0.05 0.00 0.00 175.22 176.25 3hna s ASP 1210N -3.21 6.43 0.55 1.98 -1.08 -1.25 -1.44 116.67 118.65 3hna s ASP 1210Ca 0.29 -0.06 0.24 0.00 -0.52 0.00 0.00 52.55 52.51 3hna s ASP 1210Cb 0.07 -2.47 1.56 0.00 -1.46 0.00 0.00 42.92 40.61 3hna s ASP 1210CO 0.07 -1.22 2.19 1.88 0.52 0.00 0.00 175.17 178.61 3hna h TYR 1211N 9.28 0.00 0.00 -5.34 -1.99 -1.93 -3.49 116.97 113.50 3hna h TYR 1211Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3hna h TYR 1211Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3hna h TYR 1211CO 0.93 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 3hna n GLY 1212N -1.31 -0.12 0.15 3.88 0.00 -1.26 -4.51 105.19 102.01 3hna n GLY 1212Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3hna n GLY 1212CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hna h GLU 1213N 0.00 0.00 0.00 1.61 4.39 -1.98 -2.62 114.58 115.98 3hna h GLU 1213Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hna h GLU 1213Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hna h GLU 1213CO 0.00 0.54 0.00 0.54 -1.16 0.00 0.00 179.01 178.93 3hna n ARG 1214N -3.83 0.13 -0.09 2.33 3.00 -1.26 -0.59 116.66 116.34 3hna n ARG 1214Ca -0.01 0.40 -0.13 0.00 -0.01 0.00 0.00 57.85 58.10 3hna n ARG 1214Cb 0.56 -1.76 -0.06 0.00 0.00 0.00 0.00 32.46 31.19 3hna n ARG 1214CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3hna n PHE 1215N -2.01 0.97 0.21 -1.55 7.35 -1.01 -4.51 117.46 116.90 3hna n PHE 1215Ca 0.02 0.42 0.08 0.00 -0.76 0.00 0.00 57.45 57.21 3hna n PHE 1215Cb 0.19 -0.93 0.43 0.00 0.35 0.00 0.00 39.48 39.51 3hna n PHE 1215CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3hna h TRP 1216N -1.00 0.00 0.00 -5.13 4.06 -1.31 -0.59 115.95 111.98 3hna h TRP 1216Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3hna h TRP 1216Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3hna h TRP 1216CO -0.07 0.29 0.00 -0.44 -3.56 0.00 0.00 178.44 174.66 3hna h ASP 1217N 0.00 0.00 0.00 -3.49 3.32 -1.09 0.10 116.42 115.26 3hna h ASP 1217Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 3hna h ASP 1217Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3hna h ASP 1217CO 0.04 0.00 -1.49 -0.38 -1.72 0.00 0.00 179.24 175.69 3hna n ILE 1218N -2.88 1.50 0.17 0.35 2.08 -0.89 -4.69 119.36 114.99 3hna n ILE 1218Ca -0.00 -0.05 0.04 0.00 0.56 0.00 0.00 62.75 63.30 3hna n ILE 1218Cb 0.22 -2.16 0.20 0.00 -0.75 0.00 0.00 39.64 37.16 3hna n ILE 1218CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hna h LYS 1219N -1.00 0.00 0.00 0.38 1.79 -1.11 -2.99 116.57 113.64 3hna h LYS 1219Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3hna h LYS 1219Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3hna h LYS 1219CO -0.17 0.44 0.06 0.78 -1.08 0.00 0.00 179.45 179.48 3hna h GLY 1220N 2.67 0.00 1.22 3.86 0.00 -0.91 0.11 103.07 110.02 3hna h GLY 1220Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hna h GLY 1220CO 0.06 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.46 3hna n LYS 1221N -2.48 0.04 -0.08 4.80 5.02 -1.13 -4.09 118.16 120.24 3hna n LYS 1221Ca -0.02 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3hna n LYS 1221Cb 0.11 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 3hna n LYS 1221CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hna n LEU 1222N -1.58 1.57 -3.49 -0.35 4.77 0.29 -5.07 117.00 113.14 3hna n LEU 1222Ca 0.06 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3hna n LEU 1222Cb 0.35 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3hna n LEU 1222CO 0.34 0.58 0.37 0.72 -1.33 0.00 0.00 177.39 178.06 3hna s PHE 1223N -2.34 -0.45 0.33 -1.77 -0.12 -0.67 -5.16 117.98 107.79 3hna s PHE 1223Ca -0.16 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 3hna s PHE 1223Cb 0.05 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 3hna s PHE 1223CO 0.48 -0.86 0.38 -1.54 -0.05 0.00 0.00 175.22 173.63 3hna s SER 1224N -2.77 5.66 0.19 1.98 1.04 -1.26 -3.97 113.70 114.57 3hna s SER 1224Ca 0.02 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 55.83 3hna s SER 1224Cb -0.01 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 3hna s SER 1224CO -0.11 -0.37 1.30 0.00 0.98 0.00 0.00 173.24 175.04 3hna n ARG 1226N 2.69 2.36 0.24 0.00 1.74 -1.26 -4.55 116.66 117.88 3hna n ARG 1226Ca 0.06 -2.89 0.07 0.00 -0.77 0.00 0.00 57.85 54.32 3hna n ARG 1226Cb 0.43 -1.78 0.57 0.00 -1.02 0.00 0.00 32.46 30.66 3hna n ARG 1226CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hna n GLY 1228N -1.18 0.82 3.76 0.00 0.00 -1.26 -4.97 105.19 102.35 3hna n GLY 1228Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3hna n GLY 1228CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hna s SER 1229N -2.87 6.60 0.60 1.61 0.15 -1.26 -4.88 113.70 113.64 3hna s SER 1229Ca 0.00 2.78 0.31 0.00 0.70 0.00 0.00 55.95 59.73 3hna s SER 1229Cb 0.00 -2.64 1.85 0.00 -1.71 0.00 0.00 66.02 63.52 3hna s SER 1229CO 0.00 -0.71 2.25 1.55 1.20 0.00 0.00 173.24 177.53 3hna h PRO 1230N 4.16 0.00 -0.66 5.44 0.13 -2.03 -1.36 132.00 137.68 3hna h PRO 1230Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hna h PRO 1230Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hna h PRO 1230CO 0.72 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.12 3hna n LYS 1231N -3.79 3.41 -1.63 0.86 5.02 -1.26 -4.99 118.16 115.77 3hna n LYS 1231Ca -0.03 -2.19 -0.48 0.00 -2.02 0.00 0.00 58.31 53.59 3hna n LYS 1231Cb 0.10 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 3hna n LYS 1231CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hna n ARG 1233N 2.76 1.29 -0.56 0.00 1.74 -1.26 -4.55 116.66 116.07 3hna n ARG 1233Ca 0.17 -1.30 0.04 0.00 -0.77 0.00 0.00 57.85 55.98 3hna n ARG 1233Cb 0.25 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 3hna n ARG 1233CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hna n HIS 1234N 0.68 0.00 1.67 -1.55 8.25 -1.26 -5.10 115.22 117.91 3hna n HIS 1234Ca 0.09 -0.54 0.15 0.00 -0.26 0.00 0.00 57.72 57.15 3hna n HIS 1234Cb 0.38 -0.12 0.67 0.00 1.12 0.00 0.00 29.99 32.03 3hna n HIS 1234CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85