#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hna h SER 950 N 0.00 0.00 0.00 1.61 4.64 -2.01 -3.15 113.55 114.63 3hna h SER 950 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hna h SER 950 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hna h SER 950 CO 0.00 0.00 -1.02 0.59 -0.87 0.00 0.00 176.83 175.53 3hna n ASN 951 N -4.39 1.88 -0.14 4.97 3.02 -1.26 -4.65 115.26 114.69 3hna n ASN 951 Ca 0.02 -0.29 -0.04 0.00 -0.03 0.00 0.00 54.58 54.25 3hna n ASN 951 Cb 0.32 1.25 0.05 0.00 -0.61 0.00 0.00 39.78 40.79 3hna n ASN 951 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hna h SER 952 N 0.00 0.13 1.44 6.41 0.02 -1.92 0.12 113.55 119.75 3hna h SER 952 Ca 0.00 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3hna h SER 952 Cb 0.34 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3hna h SER 952 CO 0.00 0.11 -0.57 1.56 -1.14 0.00 0.00 176.83 176.79 3hna h GLN 953 N 0.31 0.00 -0.10 3.45 1.08 -1.78 -2.44 115.11 115.63 3hna h GLN 953 Ca 0.22 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3hna h GLN 953 Cb 0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3hna h GLN 953 CO -0.23 0.43 0.01 0.28 -0.95 0.00 0.00 178.83 178.37 3hna h VAL 954 N 0.00 1.23 -0.47 -0.54 2.07 -0.43 -1.95 116.25 116.16 3hna h VAL 954 Ca -0.02 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.82 3hna h VAL 954 Cb 1.37 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 3hna h VAL 954 CO 0.06 0.21 0.18 -0.25 0.02 0.00 0.00 177.57 177.79 3hna h TRP 955 N -0.09 0.32 -0.81 1.57 2.91 -0.82 -0.72 115.95 118.31 3hna h TRP 955 Ca 0.03 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.12 3hna h TRP 955 Cb 0.32 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.84 3hna h TRP 955 CO 0.02 0.12 0.50 1.03 -1.03 0.00 0.00 178.44 179.09 3hna h SER 956 N 0.36 0.80 -0.40 2.65 0.87 -1.36 0.12 113.55 116.59 3hna h SER 956 Ca 0.22 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3hna h SER 956 Cb 0.21 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hna h SER 956 CO -0.22 0.53 0.15 0.00 -0.53 0.00 0.00 176.83 176.76 3hna h ALA 957 N 1.37 0.53 -0.91 6.23 0.00 -0.74 -1.14 119.26 124.59 3hna h ALA 957 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hna h ALA 957 Cb 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3hna h ALA 957 CO -0.15 0.14 0.60 -0.07 0.00 0.00 0.00 179.25 179.78 3hna h LEU 958 N 0.51 1.03 -0.23 0.00 3.38 -0.57 -1.11 115.31 118.31 3hna h LEU 958 Ca 0.13 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 3hna h LEU 958 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hna h LEU 958 CO -0.01 0.73 -0.84 1.56 0.09 0.00 0.00 178.44 179.97 3hna h GLN 959 N 1.20 0.54 -0.68 1.13 1.08 -0.77 -1.64 115.11 115.98 3hna h GLN 959 Ca 0.35 -0.49 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 3hna h GLN 959 Cb -0.08 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3hna h GLN 959 CO -0.09 1.12 0.19 0.52 -0.95 0.00 0.00 178.83 179.63 3hna h MET 960 N 0.34 1.07 -0.64 1.46 2.86 -0.98 -0.37 114.93 118.67 3hna h MET 960 Ca -0.06 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 3hna h MET 960 Cb 1.45 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 3hna h MET 960 CO 0.15 0.94 0.28 1.03 1.06 0.00 0.00 176.91 180.37 3hna h SER 961 N 1.00 0.86 -0.77 1.22 0.87 -1.14 -1.40 113.55 114.18 3hna h SER 961 Ca 0.22 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3hna h SER 961 Cb 0.33 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3hna h SER 961 CO -0.00 0.78 0.27 0.11 -0.53 0.00 0.00 176.83 177.46 3hna h LYS 962 N 0.89 1.18 -0.17 2.24 1.57 -1.04 -2.98 116.57 118.26 3hna h LYS 962 Ca 0.22 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3hna h LYS 962 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hna h LYS 962 CO -0.02 0.98 -0.35 0.00 -0.57 0.00 0.00 179.45 179.48 3hna h ALA 963 N 1.14 1.08 -3.00 3.86 0.00 -0.72 -3.51 119.26 118.12 3hna h ALA 963 Ca 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hna h ALA 963 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hna h ALA 963 CO -0.01 0.58 0.00 -0.11 0.00 0.00 0.00 179.25 179.71 3hna n LEU 964 N -4.06 0.00 -0.62 0.00 0.00 -0.56 -5.10 117.00 106.66 3hna n LEU 964 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 3hna n LEU 964 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 3hna n LEU 964 CO 0.42 0.00 0.00 -0.81 0.00 0.00 0.00 177.39 177.00 3hna n PRO 972 N 0.00 -0.93 -2.56 1.96 -0.04 -1.26 -5.11 135.00 127.06 3hna n PRO 972 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 3hna n PRO 972 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 3hna n PRO 972 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hna s SER 973 N -0.15 6.12 0.68 3.54 1.04 -1.26 -5.06 113.70 118.61 3hna s SER 973 Ca 0.00 0.89 -0.15 0.00 0.48 0.00 0.00 55.95 57.18 3hna s SER 973 Cb 0.00 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 64.00 3hna s SER 973 CO 0.00 -0.69 1.12 -2.16 0.98 0.00 0.00 173.24 172.49 3hna s PRO 974 N -4.81 2.64 0.35 4.02 0.04 -1.26 -4.99 135.00 130.99 3hna s PRO 974 Ca 0.49 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 3hna s PRO 974 Cb -0.10 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3hna s PRO 974 CO 0.45 -1.38 1.48 0.08 0.04 0.00 0.00 177.00 177.67 3hna s VAL 975 N -2.33 2.17 0.22 -0.36 1.01 -1.26 -4.72 120.40 115.13 3hna s VAL 975 Ca 0.68 0.16 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 3hna s VAL 975 Cb -0.21 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 3hna s VAL 975 CO 0.43 0.04 1.70 1.21 0.00 0.00 0.00 175.10 178.47 3hna n GLU 976 N 0.91 2.74 -4.37 2.72 2.13 -1.26 -4.75 120.64 118.76 3hna n GLU 976 Ca 0.02 0.99 -0.35 0.00 0.66 0.00 0.00 57.16 58.49 3hna n GLU 976 Cb 0.39 -2.82 -0.10 0.00 0.27 0.00 0.00 31.44 29.18 3hna n GLU 976 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hna s ARG 977 N 0.86 3.18 -0.31 5.31 0.52 -0.50 -4.93 118.95 123.07 3hna s ARG 977 Ca 0.73 -0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 55.23 3hna s ARG 977 Cb -0.51 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.14 3hna s ARG 977 CO 0.35 0.58 0.98 0.42 0.02 0.00 0.00 175.30 177.65 3hna s ILE 978 N -0.53 4.61 -0.77 1.52 1.01 -1.26 -0.87 121.20 124.91 3hna s ILE 978 Ca 0.09 1.56 0.17 0.00 0.00 0.00 0.00 60.65 62.47 3hna s ILE 978 Cb -0.12 -4.32 -0.19 0.00 0.01 0.00 0.00 42.46 37.83 3hna s ILE 978 CO 0.02 -0.39 0.71 1.33 0.00 0.00 0.00 174.94 176.61 3hna n VAL 979 N 5.74 0.00 -3.65 2.92 0.24 0.32 -4.92 118.33 118.97 3hna n VAL 979 Ca 0.09 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 3hna n VAL 979 Cb 0.47 0.94 -0.08 0.00 -1.47 0.00 0.00 33.84 33.71 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 -2.73 -0.71 0.41 -1.34 0.15 -0.96 -4.49 113.70 104.03 3hna s SER 980 Ca 0.06 1.32 0.22 0.00 0.70 0.00 0.00 55.95 58.25 3hna s SER 980 Cb 0.13 1.31 0.65 0.00 -1.71 0.00 0.00 66.02 66.40 3hna s SER 980 CO 0.71 -0.23 1.71 0.03 1.20 0.00 0.00 173.24 176.67 3hna h ARG 981 N 5.43 0.00 -0.64 5.44 3.08 -1.89 0.32 114.38 126.12 3hna h ARG 981 Ca -0.29 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.91 3hna h ARG 981 Cb 1.17 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.02 3hna h ARG 981 CO 0.11 0.25 -0.12 0.34 -1.07 0.00 0.00 179.97 179.48 3hna s ASP 982 N -6.22 -0.95 0.60 7.04 2.15 -1.26 -3.63 116.67 114.40 3hna s ASP 982 Ca 0.02 0.37 0.38 0.00 0.43 0.00 0.00 52.55 53.76 3hna s ASP 982 Cb 0.09 1.71 1.82 0.00 -0.30 0.00 0.00 42.92 46.23 3hna s ASP 982 CO 0.66 -0.18 2.15 0.16 -0.17 0.00 0.00 175.17 177.80 3hna h ILE 983 N 5.48 0.01 -0.01 4.11 3.07 -1.18 -2.29 117.51 126.70 3hna h ILE 983 Ca -0.12 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3hna h ILE 983 Cb 1.17 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 3hna h ILE 983 CO 0.05 0.00 -0.17 0.00 -1.05 0.00 0.00 178.15 176.99 3hna n ALA 984 N -2.09 2.90 -3.73 0.16 0.00 -1.26 -4.83 120.51 111.66 3hna n ALA 984 Ca -0.01 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 3hna n ALA 984 Cb 0.21 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.48 -4.64 -0.57 0.00 1.74 -0.86 -1.50 116.66 110.35 3hna n ARG 985 Ca 0.14 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 3hna n ARG 985 Cb 0.34 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 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 -1.50 0.78 0.11 -0.13 0.00 -1.26 -4.94 105.19 98.24 3hna n GLY 986 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3hna n GLY 986 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hna n TYR 987 N -2.04 0.94 -3.29 1.61 4.02 -0.56 -4.83 117.16 113.01 3hna n TYR 987 Ca 0.00 0.27 -0.18 0.00 -0.01 0.00 0.00 57.90 57.98 3hna n TYR 987 Cb 0.00 -0.94 -0.00 0.00 -0.02 0.00 0.00 39.34 38.38 3hna n TYR 987 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3hna s GLU 988 N -3.11 2.94 0.45 -0.72 0.41 -1.26 -4.95 118.70 112.45 3hna s GLU 988 Ca 0.10 -1.16 0.18 0.00 -0.41 0.00 0.00 54.97 53.69 3hna s GLU 988 Cb 0.12 -2.75 1.05 0.00 -1.78 0.00 0.00 34.13 30.77 3hna s GLU 988 CO 0.61 -0.09 1.96 0.00 -0.49 0.00 0.00 175.26 177.24 3hna h ARG 989 N 0.81 0.00 -4.96 1.61 3.08 -1.88 -3.43 114.38 109.61 3hna h ARG 989 Ca -0.43 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.32 3hna h ARG 989 Cb 1.27 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.17 3hna h ARG 989 CO 0.50 0.22 -0.71 0.96 -1.07 0.00 0.00 179.97 179.87 3hna s ILE 990 N -4.32 1.04 0.66 2.04 -0.00 -1.26 -5.11 121.20 114.25 3hna s ILE 990 Ca -0.03 -2.03 -0.16 0.00 -0.00 0.00 0.00 60.65 58.43 3hna s ILE 990 Cb 0.14 -1.82 0.00 0.00 -0.00 0.00 0.00 42.46 40.78 3hna s ILE 990 CO 0.67 -0.77 1.15 -2.16 -0.00 0.00 0.00 174.94 173.83 3hna s PRO 991 N -3.77 2.69 -0.50 0.37 0.04 -1.26 -4.96 135.00 127.60 3hna s PRO 991 Ca 0.16 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3hna s PRO 991 Cb 0.03 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.78 3hna s PRO 991 CO -0.01 -1.37 0.26 0.42 0.04 0.00 0.00 177.00 176.35 3hna s ILE 992 N -2.11 2.84 0.86 0.56 1.01 -1.26 -4.64 121.20 118.46 3hna s ILE 992 Ca 0.71 -2.98 -0.11 0.00 0.00 0.00 0.00 60.65 58.27 3hna s ILE 992 Cb -0.24 -2.96 0.11 0.00 0.01 0.00 0.00 42.46 39.38 3hna s ILE 992 CO 0.40 -0.77 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 3hna s PRO 993 N 0.07 1.51 -0.07 2.79 0.04 -1.24 -0.66 135.00 137.45 3hna s PRO 993 Ca 0.15 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.21 3hna s PRO 993 Cb -0.23 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.49 3hna s PRO 993 CO -0.03 -2.11 -0.17 0.00 0.04 0.00 0.00 177.00 174.74 3hna s VAL 995 N 0.49 1.29 -0.18 0.00 -7.23 -0.21 -0.52 120.40 114.04 3hna s VAL 995 Ca -0.15 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 57.89 3hna s VAL 995 Cb -0.16 -1.88 0.08 0.00 0.56 0.00 0.00 36.38 34.97 3hna s VAL 995 CO 0.05 -0.71 0.17 0.21 -0.31 0.00 0.00 175.10 174.51 3hna s ASN 996 N -3.19 1.66 -0.20 4.85 3.84 -0.05 -2.47 114.94 119.38 3hna s ASN 996 Ca 0.18 -0.31 0.15 0.00 0.21 0.00 0.00 52.86 53.10 3hna s ASN 996 Cb 0.02 0.14 0.51 0.00 -0.55 0.00 0.00 41.25 41.37 3hna s ASN 996 CO 0.02 -0.33 1.41 0.00 -2.79 0.00 0.00 177.10 175.42 3hna n ALA 997 N 5.31 3.21 0.01 1.71 0.00 -1.26 -1.41 120.51 128.08 3hna n ALA 997 Ca -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.87 3hna n ALA 997 Cb 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.72 0.22 -2.67 0.00 0.31 -1.26 -4.17 118.33 110.04 3hna n VAL 998 Ca 0.24 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3hna n VAL 998 Cb 0.91 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 -3.06 0.00 -0.59 4.52 5.68 -1.26 -4.64 116.55 117.20 3hna n ASP 999 Ca 0.00 -0.10 0.13 0.00 -0.50 0.00 0.00 54.79 54.31 3hna n ASP 999 Cb 0.36 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.63 3hna n ASP 999 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hna n SER 1000N -0.22 1.97 -4.73 -1.12 7.64 -1.26 -4.97 113.62 110.93 3hna n SER 1000Ca 0.00 -1.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.90 3hna n SER 1000Cb 0.00 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 3hna n SER 1000CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hna n GLU 1001N 0.38 2.68 -1.64 1.43 -0.58 -1.26 -5.01 120.64 116.63 3hna n GLU 1001Ca 0.15 0.96 -0.29 0.00 -0.42 0.00 0.00 57.16 57.56 3hna n GLU 1001Cb 0.45 -2.76 0.13 0.00 -0.57 0.00 0.00 31.44 28.69 3hna n GLU 1001CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hna s PRO 1002N 0.11 1.26 0.25 3.49 0.04 -1.26 -4.94 135.00 133.94 3hna s PRO 1002Ca 0.68 0.19 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 3hna s PRO 1002Cb -0.51 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.03 3hna s PRO 1002CO 0.43 -2.10 1.44 0.00 0.04 0.00 0.00 177.00 176.81 3hna n PRO 1004N 2.09 2.38 -0.22 0.00 -0.02 -1.26 -4.89 135.00 133.08 3hna n PRO 1004Ca 0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3hna n PRO 1004Cb 0.32 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 2.22 0.00 -2.11 2.55 3.41 -1.26 -4.91 113.62 113.52 3hna n SER 1005Ca 0.10 -1.43 -0.17 0.00 -0.26 0.00 0.00 58.87 57.12 3hna n SER 1005Cb 0.34 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.00 5.91 -3.60 4.04 6.94 -1.26 -1.35 115.26 125.94 3hna n ASN 1006Ca 0.00 -2.84 -0.05 0.00 -0.02 0.00 0.00 54.58 51.67 3hna n ASN 1006Cb 0.59 -1.26 -0.02 0.00 -2.36 0.00 0.00 39.78 36.73 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 -0.59 -0.20 -0.26 -2.53 -0.85 -1.26 -4.85 117.35 106.82 3hna s TYR 1007Ca 0.50 0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 57.00 3hna s TYR 1007Cb 0.29 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 43.15 3hna s TYR 1007CO -0.08 -0.50 0.14 0.21 -1.52 0.00 0.00 175.55 173.79 3hna s LYS 1008N -2.90 3.88 -0.05 -3.49 2.47 0.31 -4.50 119.74 115.46 3hna s LYS 1008Ca 0.09 -0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 53.84 3hna s LYS 1008Cb -0.00 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.82 3hna s LYS 1008CO -0.04 -0.11 1.43 -0.47 0.16 0.00 0.00 175.35 176.32 3hna s TYR 1009N 1.49 2.63 0.02 4.03 5.04 -1.26 -1.88 117.35 127.42 3hna s TYR 1009Ca 0.07 0.71 0.06 0.00 -2.44 0.00 0.00 57.07 55.46 3hna s TYR 1009Cb -0.15 -3.69 -0.02 0.00 0.35 0.00 0.00 41.96 38.45 3hna s TYR 1009CO 0.07 -2.61 -0.18 0.14 -1.34 0.00 0.00 175.55 171.62 3hna s VAL 1010N 3.06 1.44 -0.72 3.14 -7.23 0.02 -4.90 120.40 115.22 3hna s VAL 1010Ca 0.64 -0.96 0.25 0.00 -1.81 0.00 0.00 61.98 60.10 3hna s VAL 1010Cb -0.29 -1.24 0.07 0.00 0.56 0.00 0.00 36.38 35.47 3hna s VAL 1010CO 0.24 0.26 1.40 -1.54 -0.31 0.00 0.00 175.10 175.15 3hna n SER 1011N 2.23 0.65 -4.11 4.85 3.41 -1.26 -3.71 113.62 115.67 3hna n SER 1011Ca -0.16 0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 3hna n SER 1011Cb 0.54 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 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 -3.13 0.67 0.62 4.33 -0.21 -1.26 -4.99 119.66 115.69 3hna s GLN 1012Ca 0.08 -1.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.18 3hna s GLN 1012Cb 0.14 -0.16 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 3hna s GLN 1012CO 0.70 -0.01 1.19 0.09 -2.12 0.00 0.00 175.29 175.14 3hna n ASN 1013N 0.56 1.72 -4.28 5.90 3.02 -1.26 -4.70 115.26 116.23 3hna n ASN 1013Ca -0.17 0.84 -0.22 0.00 -0.03 0.00 0.00 54.58 55.01 3hna n ASN 1013Cb 0.58 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.15 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 -3.39 1.31 0.00 0.00 -7.23 -1.26 -1.05 120.40 108.78 3hna s VAL 1015Ca 0.33 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3hna s VAL 1015Cb 0.06 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3hna s VAL 1015CO 0.15 -0.64 0.00 1.07 -0.31 0.00 0.00 175.10 175.37 3hna n THR 1016N -0.04 0.00 -1.89 5.32 5.66 -1.26 -4.99 114.28 117.07 3hna n THR 1016Ca -0.11 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 3hna n THR 1016Cb 0.60 -0.27 0.03 0.00 -1.55 0.00 0.00 70.33 69.14 3hna n THR 1016CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3hna s SER 1017N -0.06 5.37 0.41 1.09 0.01 -1.26 -4.94 113.70 114.33 3hna s SER 1017Ca 0.00 2.63 -0.25 0.00 1.31 0.00 0.00 55.95 59.64 3hna s SER 1017Cb 0.00 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 3hna s SER 1017CO 0.00 -1.49 1.27 -2.16 0.41 0.00 0.00 173.24 171.27 3hna s PRO 1018N -2.95 3.93 -0.04 12.44 0.04 -1.26 -4.96 135.00 142.21 3hna s PRO 1018Ca 0.72 2.07 0.17 0.00 0.04 0.00 0.00 61.00 63.99 3hna s PRO 1018Cb -0.37 -2.69 -0.25 0.00 0.04 0.00 0.00 34.50 31.22 3hna s PRO 1018CO 0.43 -0.49 0.33 -1.33 0.04 0.00 0.00 177.00 175.98 3hna n MET 1019N 0.02 0.64 -3.65 4.56 2.81 -1.26 -5.03 117.12 115.20 3hna n MET 1019Ca 0.04 -0.14 -0.22 0.00 -1.81 0.00 0.00 57.70 55.58 3hna n MET 1019Cb 0.44 -1.40 0.05 0.00 -0.71 0.00 0.00 33.22 31.60 3hna n MET 1019CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3hna n ASN 1020N -2.16 -2.42 -4.75 7.83 3.02 -1.26 -4.94 115.26 110.58 3hna n ASN 1020Ca -0.06 -0.74 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 3hna n ASN 1020Cb 0.52 -4.40 -0.02 0.00 -0.61 0.00 0.00 39.78 35.27 3hna n ASN 1020CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hna s ILE 1021N -3.50 2.20 -0.43 2.41 1.01 -1.26 -4.91 121.20 116.72 3hna s ILE 1021Ca 0.16 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 3hna s ILE 1021Cb -0.07 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 3hna s ILE 1021CO 0.79 0.03 1.64 -0.62 0.00 0.00 0.00 174.94 176.78 3hna s ASP 1022N 0.46 5.95 -0.17 3.58 2.15 -1.26 -4.83 116.67 122.55 3hna s ASP 1022Ca 0.62 0.87 0.16 0.00 0.43 0.00 0.00 52.55 54.63 3hna s ASP 1022Cb -0.46 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.02 3hna s ASP 1022CO 0.47 -1.74 1.27 0.54 -0.17 0.00 0.00 175.17 175.54 3hna n ARG 1023N 8.48 1.83 -1.93 4.34 1.74 -1.26 -4.48 116.66 125.38 3hna n ARG 1023Ca 0.19 -2.83 -0.43 0.00 -0.77 0.00 0.00 57.85 54.02 3hna n ARG 1023Cb 0.48 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.64 6.09 0.48 0.55 3.84 -1.26 -4.86 114.94 117.14 3hna s ASN 1024Ca 0.37 1.73 0.17 0.00 0.21 0.00 0.00 52.86 55.34 3hna s ASN 1024Cb 0.32 -2.53 1.18 0.00 -0.55 0.00 0.00 41.25 39.68 3hna s ASN 1024CO 0.03 -1.48 2.05 -0.29 -2.79 0.00 0.00 177.10 174.61 3hna h ILE 1025N 6.44 0.91 0.00 -5.21 2.10 -1.97 0.05 117.51 119.84 3hna h ILE 1025Ca -0.37 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3hna h ILE 1025Cb 1.18 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 3hna h ILE 1025CO 0.99 0.03 0.00 0.35 -1.08 0.00 0.00 178.15 178.45 3hna n THR 1026N -4.47 0.79 0.72 2.19 -2.24 -1.26 -2.29 114.28 107.72 3hna n THR 1026Ca 0.05 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 3hna n THR 1026Cb 0.31 -0.94 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.74 0.42 -2.30 4.78 8.25 0.00 -4.89 115.22 119.74 3hna n HIS 1027Ca 0.04 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 3hna n HIS 1027Cb 0.23 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.86 4.34 0.37 2.41 1.43 -0.97 -4.98 118.68 117.42 3hna s LEU 1028Ca 0.09 2.10 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 3hna s LEU 1028Cb 0.15 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 3hna s LEU 1028CO 0.68 -0.61 1.10 -1.10 0.23 0.00 0.00 176.35 176.65 3hna s GLN 1029N 1.64 4.26 0.16 1.70 -1.52 -1.26 -5.04 119.66 119.60 3hna s GLN 1029Ca 0.61 1.69 -0.08 0.00 -1.95 0.00 0.00 55.36 55.63 3hna s GLN 1029Cb -0.31 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 3hna s GLN 1029CO 0.28 -0.10 0.27 1.52 -0.25 0.00 0.00 175.29 177.00 3hna s TYR 1030N -1.45 0.42 0.30 0.91 -0.85 -1.26 -4.90 117.35 110.52 3hna s TYR 1030Ca 0.54 -0.78 0.07 0.00 -0.52 0.00 0.00 57.07 56.38 3hna s TYR 1030Cb -0.27 -0.08 -0.03 0.00 0.38 0.00 0.00 41.96 41.95 3hna s TYR 1030CO 0.34 -0.70 0.27 0.00 -1.52 0.00 0.00 175.55 173.95 3hna n VAL 1032N -1.33 1.92 -1.75 0.00 0.24 -1.26 -0.82 118.33 115.33 3hna n VAL 1032Ca -0.04 -2.72 -0.41 0.00 -2.04 0.00 0.00 64.34 59.13 3hna n VAL 1032Cb 0.59 -0.14 0.01 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.02 0.16 -1.74 0.00 -5.35 -1.26 -4.14 119.36 107.02 3hna n ILE 1034Ca 0.04 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3hna n ILE 1034Cb 0.40 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 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 1.30 0.04 -1.10 7.28 5.75 -1.26 -5.02 116.55 123.55 3hna n ASP 1035Ca 0.15 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.99 3hna n ASP 1035Cb 0.57 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.88 3hna n ASP 1035CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hna n ASP 1036N 0.00 3.18 -2.87 -1.12 8.00 -1.26 -4.75 116.55 117.73 3hna n ASP 1036Ca 0.00 -2.28 -0.20 0.00 0.71 0.00 0.00 54.79 53.02 3hna n ASP 1036Cb 0.00 -0.46 0.04 0.00 -0.02 0.00 0.00 41.12 40.69 3hna n ASP 1036CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hna n SER 1038N -2.19 1.31 -5.00 0.00 3.41 -1.26 -4.58 113.62 105.31 3hna n SER 1038Ca -0.07 -1.07 -0.18 0.00 -0.26 0.00 0.00 58.87 57.29 3hna n SER 1038Cb 0.59 0.59 0.01 0.00 -0.26 0.00 0.00 64.21 65.14 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 -2.74 5.63 0.00 4.04 1.04 -1.26 -5.00 113.70 115.41 3hna s SER 1039Ca 0.15 -0.33 0.17 0.00 0.48 0.00 0.00 55.95 56.42 3hna s SER 1039Cb 0.17 -0.75 0.76 0.00 0.10 0.00 0.00 66.02 66.30 3hna s SER 1039CO 0.69 -0.79 1.51 -1.54 0.98 0.00 0.00 173.24 174.09 3hna n SER 1040N -1.92 0.00 0.00 7.02 3.41 -1.26 -2.78 113.62 118.09 3hna n SER 1040Ca 0.07 0.32 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 3hna n SER 1040Cb 0.59 -0.41 0.69 0.00 -0.26 0.00 0.00 64.21 64.81 3hna n SER 1040CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hna n ASN 1041N -1.41 0.00 -4.61 4.04 3.02 -1.26 -4.80 115.26 110.23 3hna n ASN 1041Ca 0.06 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.31 3hna n ASN 1041Cb 0.17 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 3hna n ASN 1041CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hna h MET 1043N 8.60 0.55 -0.59 0.00 4.05 -1.87 -1.30 114.93 124.38 3hna h MET 1043Ca -0.22 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.07 3hna h MET 1043Cb 1.06 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 3hna h MET 1043CO 1.05 0.37 -0.02 0.00 0.23 0.00 0.00 176.91 178.54 3hna h GLY 1045N 0.98 1.15 1.12 0.00 0.00 -1.67 -2.65 103.07 102.00 3hna h GLY 1045Ca 0.16 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3hna h GLY 1045CO 0.03 0.61 0.33 1.46 0.00 0.00 0.00 176.54 178.98 3hna h GLN 1046N 1.02 1.12 0.00 4.80 1.08 -0.54 -1.35 115.11 121.24 3hna h GLN 1046Ca 0.23 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3hna h GLN 1046Cb 0.26 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3hna h GLN 1046CO -0.01 0.89 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.52 3hna h LEU 1047N 1.10 0.00 -0.99 1.46 3.38 -0.80 -0.91 115.31 118.56 3hna h LEU 1047Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 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 -0.03 0.17 0.00 -1.20 0.09 0.00 0.00 178.44 177.47 3hna n SER 1048N -4.08 1.48 0.00 -0.43 7.64 -0.75 -4.77 113.62 112.70 3hna n SER 1048Ca -0.02 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3hna n SER 1048Cb 0.24 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.20 0.00 -3.88 1.43 2.81 -0.35 -4.79 117.12 112.54 3hna n MET 1049Ca 0.16 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.96 3hna n MET 1049Cb 0.30 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.76 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 1.35 -0.14 0.03 1.70 -0.59 -4.48 118.95 116.83 3hna s ARG 1050Ca 0.00 -1.07 -0.29 0.00 -0.47 0.00 0.00 55.73 53.90 3hna s ARG 1050Cb 0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3hna s ARG 1050CO 0.00 -0.55 1.50 0.00 -1.08 0.00 0.00 175.30 175.17 3hna n TRP 1052N 7.24 0.00 -3.50 0.00 7.02 -1.26 -4.88 117.44 122.06 3hna n TRP 1052Ca 0.16 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.28 3hna n TRP 1052Cb 0.44 -0.01 -0.07 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 -2.04 3.48 0.55 -5.99 2.02 -1.26 -0.39 117.35 113.72 3hna s TYR 1053Ca 0.38 0.66 -0.09 0.00 -0.37 0.00 0.00 57.07 57.65 3hna s TYR 1053Cb 0.21 -2.38 0.13 0.00 -0.40 0.00 0.00 41.96 39.52 3hna s TYR 1053CO 0.35 0.24 0.75 -0.40 -1.57 0.00 0.00 175.55 174.93 3hna n ASP 1054N 3.53 0.09 0.22 2.29 5.68 0.31 -4.89 116.55 123.79 3hna n ASP 1054Ca -0.11 -1.29 0.15 0.00 -0.50 0.00 0.00 54.79 53.04 3hna n ASP 1054Cb 0.52 -0.57 0.70 0.00 -1.14 0.00 0.00 41.12 40.62 3hna n ASP 1054CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hna h LYS 1055N 0.00 0.00 -0.04 0.11 1.57 -1.96 -1.20 116.57 115.06 3hna h LYS 1055Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hna h LYS 1055Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hna h LYS 1055CO 0.17 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.80 3hna n ASP 1056N -2.66 2.03 0.00 0.86 8.00 -1.26 -4.93 116.55 118.58 3hna n ASP 1056Ca 0.00 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.82 3hna n ASP 1056Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 1.24 0.60 3.88 0.44 0.00 -0.45 -5.05 105.19 105.83 3hna n GLY 1057Ca 0.17 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 3.38 0.27 1.61 0.52 -1.26 -4.58 118.95 118.43 3hna s ARG 1058Ca 0.00 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.59 3hna s ARG 1058Cb 0.00 -3.07 -0.12 0.00 0.52 0.00 0.00 34.95 32.27 3hna s ARG 1058CO 0.00 0.69 1.55 1.28 0.02 0.00 0.00 175.30 178.85 3hna n LEU 1059N 1.18 4.02 -4.74 2.53 4.77 0.40 -0.53 117.00 124.62 3hna n LEU 1059Ca -0.13 1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 56.62 3hna n LEU 1059Cb 0.53 -1.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.12 3hna n LEU 1059CO 0.41 -0.01 0.89 -0.76 -1.33 0.00 0.00 177.39 176.58 3hna s LEU 1060N -0.24 3.68 0.53 2.23 1.43 0.47 -4.70 118.68 122.08 3hna s LEU 1060Ca 0.66 2.54 0.29 0.00 -1.03 0.00 0.00 54.13 56.59 3hna s LEU 1060Cb -0.54 -4.54 1.43 0.00 0.03 0.00 0.00 46.19 42.58 3hna s LEU 1060CO 0.48 -1.72 1.91 -0.65 0.23 0.00 0.00 176.35 176.59 3hna h PRO 1061N 0.90 0.04 0.00 1.29 0.11 -1.93 -0.77 132.00 131.63 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 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hna h PRO 1061CO 0.55 0.02 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 3hna h GLU 1062N 0.04 0.00 -6.63 1.05 3.07 -1.98 -3.45 114.58 106.68 3hna h GLU 1062Ca 0.40 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.73 3hna h GLU 1062Cb 1.54 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 29.50 3hna h GLU 1062CO -0.02 0.00 0.99 0.34 -1.40 0.00 0.00 179.01 178.92 3hna n PHE 1063N -2.33 2.68 -2.67 4.33 7.35 -0.30 -4.90 117.46 121.62 3hna n PHE 1063Ca 0.02 0.06 -0.42 0.00 -0.76 0.00 0.00 57.45 56.35 3hna n PHE 1063Cb 0.22 -2.66 -0.03 0.00 0.35 0.00 0.00 39.48 37.36 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 1.22 6.21 0.42 -2.13 3.84 -1.26 -4.87 114.94 118.38 3hna s ASN 1064Ca 0.76 -0.79 0.24 0.00 0.21 0.00 0.00 52.86 53.28 3hna s ASN 1064Cb -0.53 -2.51 0.43 0.00 -0.55 0.00 0.00 41.25 38.10 3hna s ASN 1064CO 0.33 -1.64 1.64 0.24 -2.79 0.00 0.00 177.10 174.88 3hna h MET 1065N 9.80 0.00 0.00 0.43 2.86 -1.95 -1.78 114.93 124.30 3hna h MET 1065Ca -0.22 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.21 3hna h MET 1065Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3hna h MET 1065CO 1.25 0.00 -0.91 0.00 1.06 0.00 0.00 176.91 178.31 3hna h ALA 1066N 2.06 0.45 -2.23 6.32 0.00 -2.02 -3.39 119.26 120.45 3hna h ALA 1066Ca 0.00 -0.72 -0.58 0.00 0.00 0.00 0.00 54.91 53.61 3hna h ALA 1066Cb 0.95 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.30 3hna h ALA 1066CO 0.00 0.88 -1.01 0.39 0.00 0.00 0.00 179.25 179.51 3hna n GLU 1067N -3.69 0.50 -1.94 0.00 1.02 -1.17 -5.13 120.64 110.23 3hna n GLU 1067Ca -0.05 -3.27 -0.39 0.00 -0.02 0.00 0.00 57.16 53.43 3hna n GLU 1067Cb 0.82 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 3hna n GLU 1067CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3hna s PRO 1068N -0.55 3.78 0.86 3.49 0.02 -0.68 -4.75 135.00 137.18 3hna s PRO 1068Ca 0.34 2.25 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 3hna s PRO 1068Cb 0.09 -2.66 0.11 0.00 0.02 0.00 0.00 34.50 32.06 3hna s PRO 1068CO -0.16 -0.68 1.13 -1.25 -0.33 0.00 0.00 177.00 175.72 3hna s PRO 1069N -2.40 1.53 0.21 5.54 0.04 -1.26 -4.96 135.00 133.70 3hna s PRO 1069Ca 0.60 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3hna s PRO 1069Cb -0.40 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3hna s PRO 1069CO 0.51 -1.94 1.11 -0.51 0.04 0.00 0.00 177.00 176.21 3hna s LEU 1070N -5.89 4.51 -0.18 -3.56 1.43 -1.26 -4.56 118.68 109.16 3hna s LEU 1070Ca 0.63 2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 3hna s LEU 1070Cb -0.14 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3hna s LEU 1070CO 0.53 -0.21 0.03 -0.63 0.23 0.00 0.00 176.35 176.30 3hna s ILE 1071N -0.54 4.46 -0.35 -0.59 1.01 -0.55 -4.45 121.20 120.19 3hna s ILE 1071Ca 0.48 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 3hna s ILE 1071Cb -0.31 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.21 3hna s ILE 1071CO 0.37 0.45 0.11 -0.36 0.00 0.00 0.00 174.94 175.52 3hna s PHE 1072N 0.54 3.30 0.64 3.97 0.08 -1.26 -0.38 117.98 124.87 3hna s PHE 1072Ca 0.01 -1.63 -0.10 0.00 0.12 0.00 0.00 56.93 55.33 3hna s PHE 1072Cb -0.13 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 3hna s PHE 1072CO 0.02 -0.78 1.03 -1.21 -0.10 0.00 0.00 175.22 174.17 3hna s GLU 1073N 1.35 3.24 0.80 0.44 2.02 -0.19 -4.53 118.70 121.83 3hna s GLU 1073Ca -0.01 0.52 -0.12 0.00 0.02 0.00 0.00 54.97 55.39 3hna s GLU 1073Cb -0.20 -2.10 0.08 0.00 0.10 0.00 0.00 34.13 32.01 3hna s GLU 1073CO 0.01 -0.74 1.13 0.00 0.02 0.00 0.00 175.26 175.69 3hna n ASN 1075N -3.51 -0.39 0.00 0.00 0.23 -1.26 -4.86 115.26 105.46 3hna n ASN 1075Ca 0.11 -2.18 0.12 0.00 -0.53 0.00 0.00 54.58 52.10 3hna n ASN 1075Cb 0.52 0.91 0.62 0.00 -2.08 0.00 0.00 39.78 39.76 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 -0.34 0.00 0.14 -2.53 1.44 -1.26 -2.04 115.22 110.62 3hna n HIS 1076Ca 0.04 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.87 3hna n HIS 1076Cb 0.33 -0.29 0.02 0.00 0.12 0.00 0.00 29.99 30.17 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 3.17 0.54 -2.70 1.59 0.00 -1.94 -3.48 119.26 116.44 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 0.24 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.15 3hna h ALA 1077CO 0.00 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.67 3hna n SER 1079N -2.11 0.77 -4.29 0.00 7.64 -0.00 -4.89 113.62 110.74 3hna n SER 1079Ca 0.13 0.53 -0.29 0.00 1.01 0.00 0.00 58.87 60.24 3hna n SER 1079Cb 0.50 -0.69 0.20 0.00 -1.01 0.00 0.00 64.21 63.21 3hna n SER 1079CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hna s TRP 1081N -3.14 3.14 0.36 0.00 0.52 -1.26 -4.99 118.94 113.57 3hna s TRP 1081Ca 0.68 0.03 0.39 0.00 0.02 0.00 0.00 56.10 57.22 3hna s TRP 1081Cb -0.13 -2.24 1.92 0.00 -1.15 0.00 0.00 33.47 31.86 3hna s TRP 1081CO 0.56 -0.29 2.17 -0.09 0.02 0.00 0.00 176.95 179.32 3hna h ARG 1082N 0.55 0.00 -0.63 4.98 9.65 -1.98 -1.61 114.38 125.33 3hna h ARG 1082Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3hna h ARG 1082Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3hna h ARG 1082CO 0.55 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.59 3hna n ASN 1083N -3.01 3.98 -4.62 -3.80 6.94 -1.26 -4.98 115.26 108.51 3hna n ASN 1083Ca -0.01 -2.37 -0.29 0.00 -0.02 0.00 0.00 54.58 51.88 3hna n ASN 1083Cb 0.16 -0.52 0.19 0.00 -2.36 0.00 0.00 39.78 37.25 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 -2.04 0.00 -1.81 0.00 2.43 -1.01 -3.29 114.38 108.66 3hna h ARG 1085Ca -0.53 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 57.98 3hna h ARG 1085Cb 1.31 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.61 3hna h ARG 1085CO 0.51 0.16 0.82 -1.71 -1.51 0.00 0.00 179.97 178.24 3hna n ASN 1086N -3.76 7.22 -3.39 -3.80 5.15 -1.26 -4.71 115.26 110.71 3hna n ASN 1086Ca -0.02 -3.62 -0.13 0.00 -0.60 0.00 0.00 54.58 50.22 3hna n ASN 1086Cb 0.26 -1.10 -0.09 0.00 -0.53 0.00 0.00 39.78 38.32 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 -3.28 0.30 0.25 1.20 0.52 -1.24 -1.29 118.95 115.41 3hna s ARG 1087Ca 0.54 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 3hna s ARG 1087Cb 0.42 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 35.19 3hna s ARG 1087CO -0.28 -0.74 0.00 0.28 0.02 0.00 0.00 175.30 174.58 3hna n VAL 1088N 5.34 0.20 0.03 3.52 0.31 -1.26 -4.84 118.33 121.63 3hna n VAL 1088Ca -0.04 0.07 0.01 0.00 -0.01 0.00 0.00 64.34 64.37 3hna n VAL 1088Cb 0.49 -0.65 0.35 0.00 -0.91 0.00 0.00 33.84 33.12 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 1.17 0.00 2.52 2.07 -1.95 -1.53 116.25 118.54 3hna h VAL 1089Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3hna h VAL 1089Cb 0.00 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hna h VAL 1089CO 0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.82 3hna n GLN 1090N -4.32 0.16 0.00 1.57 10.64 -1.26 -2.04 117.38 122.14 3hna n GLN 1090Ca 0.01 0.15 0.13 0.00 -1.83 0.00 0.00 57.00 55.47 3hna n GLN 1090Cb 0.21 -1.50 0.38 0.00 -0.86 0.00 0.00 30.24 28.47 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 -1.35 1.00 0.00 2.61 3.02 -0.57 -5.05 115.26 114.91 3hna n ASN 1091Ca 0.07 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3hna n ASN 1091Cb 0.15 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 1.34 -1.23 3.69 7.41 0.00 -0.86 -4.84 105.19 110.70 3hna n GLY 1092Ca 0.12 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.29 3.94 -0.01 0.99 7.94 -1.26 -4.88 117.00 122.43 3hna n LEU 1093Ca 0.00 1.01 -0.02 0.00 -1.11 0.00 0.00 56.01 55.89 3hna n LEU 1093Cb 0.00 -1.53 -0.01 0.00 0.53 0.00 0.00 43.42 42.41 3hna n LEU 1093CO 0.00 0.13 -0.57 0.54 -1.11 0.00 0.00 177.39 176.38 3hna n ARG 1094N 5.22 0.06 -1.74 1.96 1.74 -1.26 -4.19 116.66 118.45 3hna n ARG 1094Ca 0.18 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 3hna n ARG 1094Cb 0.36 -1.01 0.06 0.00 -1.02 0.00 0.00 32.46 30.86 3hna n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hna s ALA 1095N -2.05 2.45 -0.48 7.54 0.00 -1.26 -4.86 121.76 123.11 3hna s ALA 1095Ca -0.03 1.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 3hna s ALA 1095Cb 0.01 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3hna s ALA 1095CO 0.05 -1.58 0.89 1.03 0.00 0.00 0.00 175.76 176.15 3hna s ARG 1096N -3.30 3.46 0.34 0.00 0.52 -1.26 -4.96 118.95 113.75 3hna s ARG 1096Ca 0.81 0.01 0.08 0.00 -0.52 0.00 0.00 55.73 56.11 3hna s ARG 1096Cb -0.38 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.09 3hna s ARG 1096CO 0.41 -1.25 0.11 -0.51 0.02 0.00 0.00 175.30 174.08 3hna s LEU 1097N 3.67 3.18 -0.12 2.53 1.43 -1.26 -0.47 118.68 127.64 3hna s LEU 1097Ca 0.34 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3hna s LEU 1097Cb -0.11 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3hna s LEU 1097CO 0.24 -0.28 0.30 -1.58 0.23 0.00 0.00 176.35 175.26 3hna s GLN 1098N -3.81 0.29 0.04 1.70 0.74 -0.23 -4.04 119.66 114.35 3hna s GLN 1098Ca 0.37 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 56.08 3hna s GLN 1098Cb -0.02 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.02 3hna s GLN 1098CO 0.22 -0.13 0.80 -1.17 -0.55 0.00 0.00 175.29 174.46 3hna s LEU 1099N 1.00 4.44 0.07 3.68 2.96 -0.25 -0.99 118.68 129.59 3hna s LEU 1099Ca -0.07 1.49 -0.10 0.00 -0.22 0.00 0.00 54.13 55.24 3hna s LEU 1099Cb -0.08 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3hna s LEU 1099CO -0.07 -0.03 0.21 -0.72 -1.32 0.00 0.00 176.35 174.42 3hna s TYR 1100N 0.09 0.09 -0.31 5.38 -0.85 -0.01 -1.05 117.35 120.69 3hna s TYR 1100Ca 0.41 -0.42 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 3hna s TYR 1100Cb -0.21 -0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.12 3hna s TYR 1100CO 0.24 -0.51 0.97 0.50 -1.52 0.00 0.00 175.55 175.23 3hna s ARG 1101N -3.33 4.04 0.72 -3.49 6.06 -1.03 -0.85 118.95 121.06 3hna s ARG 1101Ca 0.01 0.91 -0.11 0.00 -2.50 0.00 0.00 55.73 54.03 3hna s ARG 1101Cb 0.02 -3.73 0.02 0.00 0.06 0.00 0.00 34.95 31.33 3hna s ARG 1101CO -0.08 -0.80 1.10 0.95 -2.50 0.00 0.00 175.30 173.97 3hna s THR 1102N 3.37 3.38 0.10 4.11 -4.23 0.07 -4.62 115.64 117.82 3hna s THR 1102Ca 0.40 0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 61.23 3hna s THR 1102Cb -0.13 -3.42 -0.11 0.00 1.34 0.00 0.00 72.50 70.18 3hna s THR 1102CO 0.14 -0.58 1.38 -0.09 -0.54 0.00 0.00 174.62 174.92 3hna h ARG 1103N -0.71 0.78 0.00 3.99 9.65 -1.97 -3.41 114.38 122.72 3hna h ARG 1103Ca -0.45 -0.50 0.00 0.00 -1.10 0.00 0.00 59.98 57.93 3hna h ARG 1103Cb 1.26 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 3hna h ARG 1103CO 0.64 1.13 0.00 -0.25 2.80 0.00 0.00 179.97 184.28 3hna n ASP 1104N -4.10 0.39 -2.18 -3.80 8.00 -1.26 -4.84 116.55 108.75 3hna n ASP 1104Ca -0.05 -0.69 -0.02 0.00 0.71 0.00 0.00 54.79 54.75 3hna n ASP 1104Cb 0.59 0.44 0.05 0.00 -0.02 0.00 0.00 41.12 42.18 3hna n ASP 1104CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hna n MET 1105N -0.44 1.47 0.00 -1.24 1.56 -1.26 -5.09 117.12 112.11 3hna n MET 1105Ca 0.00 -3.15 0.00 0.00 -0.27 0.00 0.00 57.70 54.28 3hna n MET 1105Cb 0.02 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.16 3hna n MET 1105CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3hna n GLY 1106N -0.34 3.08 3.88 -5.12 0.00 -1.26 -4.63 105.19 100.80 3hna n GLY 1106Ca 0.12 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 3.44 0.34 1.61 0.52 -1.26 -0.75 118.94 122.83 3hna s TRP 1107Ca 0.00 0.82 0.02 0.00 0.02 0.00 0.00 56.10 56.96 3hna s TRP 1107Cb 0.00 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3hna s TRP 1107CO 0.00 0.26 0.39 0.20 0.02 0.00 0.00 176.95 177.82 3hna s GLY 1108N -2.50 1.90 -0.08 0.98 0.00 -0.03 -4.77 107.32 102.82 3hna s GLY 1108Ca 0.46 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.45 3hna s GLY 1108CO 0.23 -1.22 -0.24 0.14 0.00 0.00 0.00 173.10 172.00 3hna s VAL 1109N -3.21 2.04 0.26 1.40 1.01 -1.25 -0.83 120.40 119.83 3hna s VAL 1109Ca 0.35 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3hna s VAL 1109Cb 0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3hna s VAL 1109CO 0.24 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.74 3hna s ARG 1110N 0.09 1.79 0.02 2.72 1.70 -0.17 0.18 118.95 125.28 3hna s ARG 1110Ca -0.11 -1.64 -0.21 0.00 -0.47 0.00 0.00 55.73 53.29 3hna s ARG 1110Cb -0.16 -1.87 -0.06 0.00 -0.57 0.00 0.00 34.95 32.29 3hna s ARG 1110CO 0.06 0.35 0.63 0.45 -1.08 0.00 0.00 175.30 175.72 3hna s SER 1111N -3.38 7.05 0.09 -2.89 0.15 -0.55 -1.07 113.70 113.10 3hna s SER 1111Ca 0.29 1.25 0.25 0.00 0.70 0.00 0.00 55.95 58.44 3hna s SER 1111Cb -0.06 -2.39 0.54 0.00 -1.71 0.00 0.00 66.02 62.40 3hna s SER 1111CO 0.15 0.11 1.47 0.18 1.20 0.00 0.00 173.24 176.35 3hna n LEU 1112N 2.59 0.59 -4.30 3.45 4.77 0.38 0.41 117.00 124.89 3hna n LEU 1112Ca -0.06 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 3hna n LEU 1112Cb 0.51 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3hna n LEU 1112CO 0.44 -0.02 -0.31 -1.10 -1.33 0.00 0.00 177.39 175.07 3hna s GLN 1113N -3.10 1.30 0.25 3.23 -0.21 -1.26 -4.42 119.66 115.45 3hna s GLN 1113Ca 0.09 -1.66 -0.30 0.00 0.02 0.00 0.00 55.36 53.50 3hna s GLN 1113Cb 0.15 -0.41 -0.10 0.00 1.00 0.00 0.00 33.01 33.65 3hna s GLN 1113CO 0.68 -0.17 1.50 -0.51 -2.12 0.00 0.00 175.29 174.66 3hna s ASP 1114N -3.27 6.58 -0.26 5.90 1.11 -1.26 -3.50 116.67 121.96 3hna s ASP 1114Ca 0.30 2.73 -0.01 0.00 0.18 0.00 0.00 52.55 55.75 3hna s ASP 1114Cb 0.07 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.47 3hna s ASP 1114CO 0.09 -0.77 -0.06 -0.63 1.18 0.00 0.00 175.17 174.98 3hna s ILE 1115N 0.17 2.77 0.84 0.77 1.01 0.68 -4.92 121.20 122.52 3hna s ILE 1115Ca 0.62 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 3hna s ILE 1115Cb -0.44 -2.47 0.10 0.00 0.01 0.00 0.00 42.46 39.66 3hna s ILE 1115CO 0.42 0.11 1.18 -2.65 0.00 0.00 0.00 174.94 174.01 3hna n PRO 1116N 4.62 0.01 -1.73 2.79 -0.02 -1.26 -0.73 135.00 138.68 3hna n PRO 1116Ca -0.16 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 3hna n PRO 1116Cb 0.46 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3hna n PRO 1116CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hna n PRO 1117N -3.53 2.17 -1.04 0.52 -0.02 -1.25 -3.09 135.00 128.77 3hna n PRO 1117Ca 0.13 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.37 3hna n PRO 1117Cb 0.51 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3hna n PRO 1117CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hna n GLY 1118N 0.68 0.52 3.77 -1.23 0.00 -0.13 -4.67 105.19 104.13 3hna n GLY 1118Ca 0.05 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.03 4.77 0.03 2.61 2.01 -1.18 -0.46 115.64 121.40 3hna s THR 1119Ca 0.00 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 3hna s THR 1119Cb 0.00 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 3hna s THR 1119CO 0.00 0.46 1.54 0.12 -0.69 0.00 0.00 174.62 176.05 3hna s PHE 1120N -0.54 2.58 -0.19 4.92 5.36 -1.26 -0.97 117.98 127.88 3hna s PHE 1120Ca 0.32 0.53 -0.15 0.00 -0.96 0.00 0.00 56.93 56.68 3hna s PHE 1120Cb -0.19 -3.82 -0.07 0.00 -0.34 0.00 0.00 43.02 38.59 3hna s PHE 1120CO 0.20 -3.23 -0.31 0.28 -1.46 0.00 0.00 175.22 170.70 3hna n VAL 1121N 4.76 1.43 -3.73 3.12 0.31 0.44 -4.74 118.33 119.92 3hna n VAL 1121Ca 0.15 -0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.41 3hna n VAL 1121Cb 0.42 -2.10 -0.01 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 -3.30 2.94 -0.64 0.00 2.12 -1.26 -0.59 118.70 117.98 3hna s GLU 1123Ca 0.11 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.65 3hna s GLU 1123Cb -0.02 -2.78 0.03 0.00 0.26 0.00 0.00 34.13 31.62 3hna s GLU 1123CO 0.01 0.65 1.27 -0.47 -0.54 0.00 0.00 175.26 176.18 3hna s TYR 1124N -1.11 2.43 -0.00 5.30 5.04 0.40 -4.54 117.35 124.86 3hna s TYR 1124Ca 0.20 0.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.11 3hna s TYR 1124Cb -0.12 -4.54 -0.03 0.00 0.35 0.00 0.00 41.96 37.62 3hna s TYR 1124CO 0.11 -1.84 -0.04 0.08 -1.34 0.00 0.00 175.55 172.53 3hna s VAL 1125N 5.47 3.89 -0.24 3.14 1.01 -1.26 -4.48 120.40 127.92 3hna s VAL 1125Ca 0.42 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3hna s VAL 1125Cb -0.08 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3hna s VAL 1125CO 0.21 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3hna n GLY 1126N 1.53 -0.77 3.66 4.51 0.00 -1.26 -3.62 105.19 109.24 3hna n GLY 1126Ca -0.15 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.10 4.18 -0.15 1.61 2.12 -0.18 -1.40 118.70 124.78 3hna s GLU 1127Ca 0.00 0.45 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 3hna s GLU 1127Cb 0.00 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 3hna s GLU 1127CO 0.00 -0.19 0.94 -0.51 -0.54 0.00 0.00 175.26 174.96 3hna s LEU 1128N 1.77 4.19 0.12 2.70 1.43 -0.21 -0.37 118.68 128.32 3hna s LEU 1128Ca 0.25 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 3hna s LEU 1128Cb -0.16 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3hna s LEU 1128CO 0.10 -0.46 -0.01 0.27 0.23 0.00 0.00 176.35 176.48 3hna s ILE 1129N 2.26 0.46 0.74 -0.59 -4.36 0.46 -4.54 121.20 115.63 3hna s ILE 1129Ca 0.44 -1.92 -0.11 0.00 -0.26 0.00 0.00 60.65 58.79 3hna s ILE 1129Cb -0.17 -1.89 0.03 0.00 1.25 0.00 0.00 42.46 41.68 3hna s ILE 1129CO 0.14 -0.66 1.07 -0.94 0.24 0.00 0.00 174.94 174.79 3hna s SER 1130N -3.07 5.03 0.28 4.36 1.04 -1.26 -0.94 113.70 119.14 3hna s SER 1130Ca 0.18 1.49 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3hna s SER 1130Cb 0.07 -2.31 0.57 0.00 0.10 0.00 0.00 66.02 64.44 3hna s SER 1130CO -0.01 -1.65 1.80 -0.78 0.98 0.00 0.00 173.24 173.57 3hna h ASP 1131N -0.87 0.74 0.70 7.02 3.58 -1.74 -0.91 116.42 124.95 3hna h ASP 1131Ca -0.45 0.07 -0.16 0.00 0.42 0.00 0.00 57.03 56.91 3hna h ASP 1131Cb 1.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 3hna h ASP 1131CO 0.58 0.35 -0.76 0.77 -2.88 0.00 0.00 179.24 177.29 3hna h SER 1132N 0.80 0.06 -0.28 2.28 4.64 -1.93 -1.94 113.55 117.19 3hna h SER 1132Ca 0.49 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.63 3hna h SER 1132Cb 0.61 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hna h SER 1132CO -0.32 0.80 -0.35 -0.08 -0.87 0.00 0.00 176.83 176.01 3hna h GLU 1133N 0.03 0.73 -0.40 4.77 4.57 -1.85 -3.14 114.58 119.29 3hna h GLU 1133Ca -0.01 -0.41 0.04 0.00 -1.18 0.00 0.00 59.36 57.79 3hna h GLU 1133Cb 1.35 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 3hna h GLU 1133CO 0.10 1.03 0.27 0.00 -1.18 0.00 0.00 179.01 179.24 3hna h ALA 1134N 0.69 1.88 0.00 2.92 0.00 -1.01 -2.27 119.26 121.47 3hna h ALA 1134Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hna h ALA 1134Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hna h ALA 1134CO 0.08 0.06 0.00 0.22 0.00 0.00 0.00 179.25 179.62 3hna h ASP 1135N 0.40 0.00 -0.14 0.00 3.58 -1.30 -3.00 116.42 115.96 3hna h ASP 1135Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3hna h ASP 1135Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3hna h ASP 1135CO -0.04 0.00 0.00 1.33 -2.88 0.00 0.00 179.24 177.65 3hna n VAL 1136N -2.45 0.82 -2.09 2.25 0.24 -0.88 -5.01 118.33 111.21 3hna n VAL 1136Ca 0.03 -0.91 -0.42 0.00 -2.04 0.00 0.00 64.34 61.00 3hna n VAL 1136Cb 0.32 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.90 4.27 0.18 7.34 1.81 -1.05 -4.92 118.95 125.68 3hna s ARG 1137Ca 0.10 2.16 -0.12 0.00 -1.72 0.00 0.00 55.73 56.15 3hna s ARG 1137Cb 0.06 -3.32 0.10 0.00 -0.45 0.00 0.00 34.95 31.33 3hna s ARG 1137CO 0.07 -0.53 1.80 1.49 -0.68 0.00 0.00 175.30 177.45 3hna h GLU 1138N 7.14 0.86 -4.80 3.54 4.81 -1.93 -3.38 114.58 120.82 3hna h GLU 1138Ca -0.42 -0.09 -0.67 0.00 -0.13 0.00 0.00 59.36 58.05 3hna h GLU 1138Cb 1.20 -0.17 -0.20 0.00 0.63 0.00 0.00 28.75 30.21 3hna h GLU 1138CO 0.89 0.64 -0.54 -2.00 -0.73 0.00 0.00 179.01 177.28 3hna s GLU 1139N -5.89 3.53 0.00 1.92 2.56 -1.26 -4.95 118.70 114.61 3hna s GLU 1139Ca -0.13 -0.59 0.18 0.00 0.00 0.00 0.00 54.97 54.42 3hna s GLU 1139Cb 0.13 -3.62 0.14 0.00 2.00 0.00 0.00 34.13 32.78 3hna s GLU 1139CO 0.77 -0.35 1.06 -0.40 -0.56 0.00 0.00 175.26 175.78 3hna n ASP 1140N 5.03 2.45 0.17 -1.70 5.75 -1.26 -4.66 116.55 122.33 3hna n ASP 1140Ca -0.14 -1.73 0.13 0.00 -0.01 0.00 0.00 54.79 53.05 3hna n ASP 1140Cb 0.50 0.01 0.60 0.00 -1.03 0.00 0.00 41.12 41.20 3hna n ASP 1140CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3hna h SER 1141N 3.43 0.00 -0.12 -1.12 0.02 -1.96 -2.93 113.55 110.87 3hna h SER 1141Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hna h SER 1141Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3hna h SER 1141CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 3hna n TYR 1142N -2.39 0.18 -2.65 3.45 4.01 -1.26 -5.03 117.16 113.46 3hna n TYR 1142Ca 0.00 -0.55 -0.40 0.00 -0.16 0.00 0.00 57.90 56.79 3hna n TYR 1142Cb 0.16 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.19 4.60 -0.14 7.72 1.43 -1.11 -2.16 118.68 127.83 3hna s LEU 1143Ca 0.11 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.23 3hna s LEU 1143Cb 0.07 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.72 3hna s LEU 1143CO 0.05 0.03 0.01 0.12 0.23 0.00 0.00 176.35 176.80 3hna s PHE 1144N -1.02 0.94 0.16 0.29 5.99 0.55 -4.98 117.98 119.92 3hna s PHE 1144Ca 0.43 -0.59 -0.30 0.00 0.00 0.00 0.00 56.93 56.46 3hna s PHE 1144Cb -0.28 -0.96 -0.08 0.00 0.00 0.00 0.00 43.02 41.70 3hna s PHE 1144CO 0.35 -0.50 1.23 -0.51 -0.00 0.00 0.00 175.22 175.79 3hna s ASP 1145N 1.89 7.04 0.40 6.13 1.11 -1.26 -0.73 116.67 131.24 3hna s ASP 1145Ca 0.02 2.24 0.22 0.00 0.18 0.00 0.00 52.55 55.20 3hna s ASP 1145Cb -0.15 -2.60 0.28 0.00 1.07 0.00 0.00 42.92 41.52 3hna s ASP 1145CO -0.07 -0.43 1.55 -0.07 1.18 0.00 0.00 175.17 177.33 3hna h LEU 1146N 5.59 0.00 -7.31 1.23 3.38 -1.35 -3.46 115.31 113.39 3hna h LEU 1146Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 3hna h LEU 1146Cb 1.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.76 3hna h LEU 1146CO 0.77 0.09 -0.12 -1.81 0.09 0.00 0.00 178.44 177.45 3hna s ASP 1147N -6.21 -0.39 0.00 -0.43 1.11 -1.26 -4.82 116.67 104.67 3hna s ASP 1147Ca 0.06 0.46 0.25 0.00 0.18 0.00 0.00 52.55 53.50 3hna s ASP 1147Cb 0.06 0.52 0.39 0.00 1.07 0.00 0.00 42.92 44.96 3hna s ASP 1147CO 0.69 -0.43 1.36 0.59 1.18 0.00 0.00 175.17 178.57 3hna n ASN 1148N 1.53 2.41 -4.28 0.27 3.02 -1.26 -4.85 115.26 112.10 3hna n ASN 1148Ca -0.19 -1.75 -0.27 0.00 -0.03 0.00 0.00 54.58 52.33 3hna n ASN 1148Cb 0.56 0.08 0.17 0.00 -0.61 0.00 0.00 39.78 39.98 3hna n ASN 1148CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hna s LYS 1149N -2.10 0.90 0.49 3.52 1.02 -1.26 -5.09 119.74 117.23 3hna s LYS 1149Ca 0.29 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 3hna s LYS 1149Cb 0.20 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3hna s LYS 1149CO 0.36 -2.12 0.78 -0.51 -0.92 0.00 0.00 175.35 172.94 3hna s ASP 1150N -4.88 6.10 0.00 2.83 1.01 -1.26 -4.90 116.67 115.56 3hna s ASP 1150Ca 0.72 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.78 3hna s ASP 1150Cb -0.03 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.83 3hna s ASP 1150CO 0.50 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.83 3hna n GLY 1151N -2.27 0.71 3.53 0.21 0.00 -1.26 -4.84 105.19 101.27 3hna n GLY 1151Ca 0.01 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 3.69 0.20 1.61 2.12 -1.26 -4.95 118.70 120.12 3hna s GLU 1152Ca 0.00 -1.54 0.09 0.00 0.36 0.00 0.00 54.97 53.89 3hna s GLU 1152Cb 0.00 -5.25 -0.04 0.00 0.26 0.00 0.00 34.13 29.09 3hna s GLU 1152CO 0.00 -2.07 -0.18 0.14 -0.54 0.00 0.00 175.26 172.60 3hna s VAL 1153N 4.01 2.01 0.33 3.70 -7.23 -1.26 -5.00 120.40 116.96 3hna s VAL 1153Ca 0.44 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3hna s VAL 1153Cb -0.01 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 3hna s VAL 1153CO -0.06 -0.37 0.05 -0.31 -0.31 0.00 0.00 175.10 174.10 3hna s TYR 1154N -2.32 2.02 -0.08 2.82 2.02 -1.26 -2.08 117.35 118.47 3hna s TYR 1154Ca 0.21 -0.93 -0.10 0.00 -0.37 0.00 0.00 57.07 55.88 3hna s TYR 1154Cb -0.05 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3hna s TYR 1154CO 0.09 0.05 0.26 0.00 -1.57 0.00 0.00 175.55 174.38 3hna s ILE 1156N -0.18 5.24 -0.31 0.00 1.01 0.09 -0.41 121.20 126.64 3hna s ILE 1156Ca -0.03 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.07 3hna s ILE 1156Cb -0.03 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3hna s ILE 1156CO 0.01 0.25 0.14 -0.62 0.00 0.00 0.00 174.94 174.72 3hna s ASP 1157N 1.19 5.46 -0.08 3.58 2.15 0.50 -0.33 116.67 129.13 3hna s ASP 1157Ca 0.15 -0.64 0.13 0.00 0.43 0.00 0.00 52.55 52.62 3hna s ASP 1157Cb -0.15 -1.97 0.52 0.00 -0.30 0.00 0.00 42.92 41.02 3hna s ASP 1157CO 0.08 -0.22 1.38 0.00 -0.17 0.00 0.00 175.17 176.24 3hna n ALA 1158N 4.95 2.95 -0.04 3.66 0.00 -0.92 -1.02 120.51 130.11 3hna n ALA 1158Ca -0.14 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.03 3hna n ALA 1158Cb 0.48 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 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 2.94 0.20 0.08 0.00 1.12 -1.93 -3.36 114.38 113.43 3hna h ARG 1159Ca 0.00 -0.13 -0.34 0.00 -1.11 0.00 0.00 59.98 58.40 3hna h ARG 1159Cb 1.13 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.07 3hna h ARG 1159CO 0.18 0.70 -1.94 1.19 -3.11 0.00 0.00 179.97 176.98 3hna n PHE 1160N -4.64 1.09 -4.19 2.20 3.72 -1.26 -4.64 117.46 109.74 3hna n PHE 1160Ca -0.08 0.28 -0.23 0.00 -0.05 0.00 0.00 57.45 57.37 3hna n PHE 1160Cb 0.36 -1.16 -0.17 0.00 -0.94 0.00 0.00 39.48 37.57 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 -2.57 1.10 0.24 1.38 2.02 -1.26 -0.53 117.35 117.73 3hna s TYR 1161Ca -0.17 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 55.91 3hna s TYR 1161Cb 0.07 -0.92 0.06 0.00 -0.40 0.00 0.00 41.96 40.78 3hna s TYR 1161CO 0.78 -0.30 0.93 0.20 -1.57 0.00 0.00 175.55 175.60 3hna s GLY 1162N 1.13 0.09 0.00 0.71 0.00 -0.79 -3.80 107.32 104.66 3hna s GLY 1162Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3hna s GLY 1162CO -0.01 0.98 0.00 1.16 0.00 0.00 0.00 173.10 175.23 3hna n ASN 1163N -1.05 1.79 0.16 1.64 6.94 -1.24 -0.80 115.26 122.70 3hna n ASN 1163Ca -0.05 -0.15 0.13 0.00 -0.02 0.00 0.00 54.58 54.49 3hna n ASN 1163Cb 0.60 0.00 0.67 0.00 -2.36 0.00 0.00 39.78 38.69 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 0.87 0.00 3.53 3.04 -1.89 -2.27 116.25 119.66 3hna h VAL 1164Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3hna h VAL 1164Cb 0.00 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 3hna h VAL 1164CO 0.00 0.00 -0.03 0.77 -1.01 0.00 0.00 177.57 177.30 3hna h SER 1165N 0.00 0.00 0.26 3.17 4.64 -1.94 -2.03 113.55 117.65 3hna h SER 1165Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hna h SER 1165Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3hna h SER 1165CO -0.00 0.03 -0.00 0.08 -0.87 0.00 0.00 176.83 176.06 3hna h ARG 1166N 0.00 0.00 -0.08 4.77 0.11 -1.74 -2.17 114.38 115.27 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 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3hna h ARG 1166CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.27 3hna n PHE 1167N -3.11 0.08 -2.28 4.08 3.72 -0.76 -4.93 117.46 114.26 3hna n PHE 1167Ca -0.02 -0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 56.91 3hna n PHE 1167Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.92 4.01 0.72 4.37 1.01 -0.82 -3.80 121.20 124.77 3hna s ILE 1168Ca 0.31 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 3hna s ILE 1168Cb 0.20 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.89 3hna s ILE 1168CO 0.31 -0.09 1.07 0.20 0.00 0.00 0.00 174.94 176.43 3hna s ASN 1169N 2.32 5.20 0.26 3.58 0.02 -1.26 -4.87 114.94 120.20 3hna s ASN 1169Ca 0.61 1.46 -0.29 0.00 -1.02 0.00 0.00 52.86 53.61 3hna s ASN 1169Cb -0.26 -2.30 -0.09 0.00 0.02 0.00 0.00 41.25 38.61 3hna s ASN 1169CO 0.21 -1.54 0.98 -2.28 0.02 0.00 0.00 177.10 174.49 3hna s HIS 1170N -3.12 3.84 -0.01 2.20 5.65 -1.26 -2.67 115.29 119.91 3hna s HIS 1170Ca 0.59 1.84 0.00 0.00 0.25 0.00 0.00 55.06 57.74 3hna s HIS 1170Cb -0.14 -3.05 0.01 0.00 -1.18 0.00 0.00 32.58 28.22 3hna s HIS 1170CO 0.54 0.16 -0.00 -1.58 -0.65 0.00 0.00 174.74 173.20 3hna s HIS 1171N -1.24 0.16 -0.08 3.88 2.46 -0.50 -4.69 115.29 115.28 3hna s HIS 1171Ca 0.43 0.01 0.26 0.00 0.47 0.00 0.00 55.06 56.23 3hna s HIS 1171Cb -0.27 -0.19 0.79 0.00 -0.13 0.00 0.00 32.58 32.79 3hna s HIS 1171CO 0.33 -0.04 1.77 0.00 -2.47 0.00 0.00 174.74 174.32 3hna n GLU 1173N -3.19 2.19 -2.63 0.00 -0.58 -1.26 -4.94 120.64 110.22 3hna n GLU 1173Ca 0.02 -4.50 -0.36 0.00 -0.42 0.00 0.00 57.16 51.90 3hna n GLU 1173Cb 0.46 -2.18 -0.05 0.00 -0.57 0.00 0.00 31.44 29.09 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 -2.09 4.23 0.00 3.49 0.04 -1.24 -4.96 135.00 134.48 3hna s PRO 1174Ca 0.36 1.42 0.28 0.00 0.04 0.00 0.00 61.00 63.09 3hna s PRO 1174Cb 0.10 -2.51 1.10 0.00 0.04 0.00 0.00 34.50 33.23 3hna s PRO 1174CO -0.06 -0.06 1.78 0.27 0.04 0.00 0.00 177.00 178.96 3hna n ASN 1175N -0.08 0.92 -4.32 6.66 0.23 -1.14 -4.76 115.26 112.77 3hna n ASN 1175Ca 0.05 -1.01 -0.26 0.00 -0.53 0.00 0.00 54.58 52.83 3hna n ASN 1175Cb 0.50 0.02 -0.13 0.00 -2.08 0.00 0.00 39.78 38.09 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 -2.28 2.29 -0.05 -4.53 1.43 -0.44 -0.65 118.68 114.46 3hna s LEU 1176Ca 0.33 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3hna s LEU 1176Cb 0.20 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3hna s LEU 1176CO 0.43 0.12 -0.11 0.54 0.23 0.00 0.00 176.35 177.55 3hna s VAL 1177N -1.08 1.02 0.17 -1.59 0.11 -0.22 -4.44 120.40 114.37 3hna s VAL 1177Ca 0.09 -0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 3hna s VAL 1177Cb -0.10 -0.92 -0.07 0.00 -1.53 0.00 0.00 36.38 33.76 3hna s VAL 1177CO 0.04 0.32 0.94 -2.16 -3.33 0.00 0.00 175.10 170.92 3hna s PRO 1178N 0.40 4.76 -0.02 1.54 0.04 -1.26 -1.38 135.00 139.08 3hna s PRO 1178Ca -0.08 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3hna s PRO 1178Cb -0.12 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 3hna s PRO 1178CO 0.02 0.36 -0.14 0.08 0.04 0.00 0.00 177.00 177.35 3hna s VAL 1179N -0.55 1.15 -0.08 -0.36 1.01 0.60 -4.94 120.40 117.24 3hna s VAL 1179Ca 0.44 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3hna s VAL 1179Cb -0.24 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3hna s VAL 1179CO 0.31 0.33 0.83 -0.13 0.00 0.00 0.00 175.10 176.44 3hna s ARG 1180N -0.23 4.43 0.00 2.72 0.52 -1.26 -1.01 118.95 124.12 3hna s ARG 1180Ca 0.03 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 3hna s ARG 1180Cb -0.07 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 3hna s ARG 1180CO -0.00 -0.11 -0.09 0.08 0.02 0.00 0.00 175.30 175.19 3hna s VAL 1181N 1.35 0.72 -0.08 3.52 1.01 -0.16 -1.48 120.40 125.29 3hna s VAL 1181Ca 0.42 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3hna s VAL 1181Cb -0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3hna s VAL 1181CO 0.19 0.11 -0.19 -0.36 0.00 0.00 0.00 175.10 174.85 3hna s PHE 1182N -0.40 2.61 0.00 5.22 0.08 0.49 -1.30 117.98 124.68 3hna s PHE 1182Ca 0.02 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.46 3hna s PHE 1182Cb -0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3hna s PHE 1182CO -0.00 -0.14 0.00 -1.33 -0.10 0.00 0.00 175.22 173.65 3hna n MET 1183N 3.01 0.00 0.24 0.44 2.81 -1.26 -1.02 117.12 121.33 3hna n MET 1183Ca -0.18 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3hna n MET 1183Cb 0.52 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 33.48 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 0.98 -2.28 3.04 0.00 -1.93 -3.43 119.26 116.65 3hna h ALA 1184Ca 0.00 -0.11 -0.29 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 17.62 3hna h ALA 1184CO 0.00 0.15 -0.66 -3.38 0.00 0.00 0.00 179.25 175.36 3hna s HIS 1185N -3.52 1.22 -0.23 0.00 0.00 -1.26 -4.94 115.29 106.55 3hna s HIS 1185Ca 0.02 -1.01 0.14 0.00 -3.00 0.00 0.00 55.06 51.22 3hna s HIS 1185Cb 0.09 -0.69 0.46 0.00 -4.00 0.00 0.00 32.58 28.44 3hna s HIS 1185CO 0.62 -0.20 1.17 1.04 -1.00 0.00 0.00 174.74 176.37 3hna n GLN 1186N -0.24 2.33 -2.47 -0.38 6.02 -1.26 -4.80 117.38 116.57 3hna n GLN 1186Ca -0.07 -3.59 -0.43 0.00 -0.01 0.00 0.00 57.00 52.91 3hna n GLN 1186Cb 0.63 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 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 -3.41 6.43 0.13 1.08 -1.08 -1.26 -4.89 116.67 113.66 3hna s ASP 1187Ca 0.40 0.54 0.17 0.00 -0.52 0.00 0.00 52.55 53.14 3hna s ASP 1187Cb 0.38 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 40.03 3hna s ASP 1187CO -0.03 -1.41 1.53 0.18 0.52 0.00 0.00 175.17 175.96 3hna n LEU 1188N 8.53 0.30 0.20 -1.34 4.77 -1.26 -1.04 117.00 127.16 3hna n LEU 1188Ca 0.13 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.84 3hna n LEU 1188Cb 0.49 -0.56 0.52 0.00 -2.33 0.00 0.00 43.42 41.54 3hna n LEU 1188CO 0.71 -0.45 0.91 0.03 -1.33 0.00 0.00 177.39 177.26 3hna h ARG 1189N 0.00 0.00 -2.13 3.23 3.08 -1.94 -3.37 114.38 113.24 3hna h ARG 1189Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3hna h ARG 1189Cb 0.25 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.89 3hna h ARG 1189CO 0.00 0.00 -0.92 1.19 -1.07 0.00 0.00 179.97 179.17 3hna n PHE 1190N -2.71 1.99 -1.46 3.04 3.72 -0.20 -4.54 117.46 117.30 3hna n PHE 1190Ca 0.02 -3.90 -0.33 0.00 -0.05 0.00 0.00 57.45 53.19 3hna n PHE 1190Cb 0.32 -0.45 0.09 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.78 2.25 0.04 -1.08 0.04 -1.26 -4.87 135.00 127.34 3hna s PRO 1191Ca 0.43 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 63.07 3hna s PRO 1191Cb 0.29 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 3hna s PRO 1191CO -0.10 -1.71 0.17 1.03 0.04 0.00 0.00 177.00 176.42 3hna s ARG 1192N -4.08 3.30 -0.34 4.56 0.52 -0.42 -4.88 118.95 117.61 3hna s ARG 1192Ca 0.71 -0.46 -0.10 0.00 -0.52 0.00 0.00 55.73 55.36 3hna s ARG 1192Cb -0.25 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.25 3hna s ARG 1192CO 0.46 0.62 0.16 0.42 0.02 0.00 0.00 175.30 176.98 3hna s ILE 1193N -1.42 4.45 -0.15 1.52 -1.09 -1.26 -0.99 121.20 122.26 3hna s ILE 1193Ca 0.31 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3hna s ILE 1193Cb -0.13 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 3hna s ILE 1193CO 0.23 -0.08 -0.07 0.00 -1.23 0.00 0.00 174.94 173.79 3hna s ALA 1194N 1.56 2.85 -0.16 9.38 0.00 -0.18 -0.45 121.76 134.77 3hna s ALA 1194Ca 0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 3hna s ALA 1194Cb -0.18 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 3hna s ALA 1194CO 0.06 0.17 0.53 -0.06 0.00 0.00 0.00 175.76 176.45 3hna s PHE 1195N 0.46 3.44 0.07 0.00 0.08 0.24 -0.29 117.98 121.98 3hna s PHE 1195Ca -0.06 0.87 0.08 0.00 0.12 0.00 0.00 56.93 57.94 3hna s PHE 1195Cb -0.15 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3hna s PHE 1195CO 0.03 -0.00 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.91 3hna s PHE 1196N 1.25 2.54 0.32 0.36 0.08 -0.48 -0.42 117.98 121.63 3hna s PHE 1196Ca 0.26 -0.27 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 3hna s PHE 1196Cb -0.16 -1.41 -0.10 0.00 -0.57 0.00 0.00 43.02 40.78 3hna s PHE 1196CO 0.11 0.30 1.25 -1.54 -0.10 0.00 0.00 175.22 175.24 3hna s SER 1197N -1.70 6.91 0.00 1.36 1.04 -0.14 -1.06 113.70 120.10 3hna s SER 1197Ca 0.16 2.58 0.24 0.00 0.48 0.00 0.00 55.95 59.41 3hna s SER 1197Cb -0.10 -2.64 0.33 0.00 0.10 0.00 0.00 66.02 63.70 3hna s SER 1197CO 0.07 -0.43 1.29 0.35 0.98 0.00 0.00 173.24 175.50 3hna n THR 1198N 0.91 0.00 -3.81 2.02 -2.24 0.18 -0.96 114.28 110.38 3hna n THR 1198Ca -0.00 -0.13 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 3hna n THR 1198Cb 0.43 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.64 1.15 0.07 -0.78 1.70 -1.26 -4.82 118.95 112.37 3hna s ARG 1199Ca 0.18 -0.70 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 3hna s ARG 1199Cb 0.18 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3hna s ARG 1199CO 0.61 -0.53 1.66 -1.17 -1.08 0.00 0.00 175.30 174.79 3hna s LEU 1200N -3.21 4.37 -0.27 -1.89 1.98 -1.26 -3.79 118.68 114.61 3hna s LEU 1200Ca 0.18 2.50 -0.10 0.00 -2.89 0.00 0.00 54.13 53.82 3hna s LEU 1200Cb -0.01 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.23 3hna s LEU 1200CO 0.03 -0.89 0.14 -0.63 -1.89 0.00 0.00 176.35 173.11 3hna s ILE 1201N 2.65 4.95 0.37 6.68 1.01 0.09 -4.96 121.20 132.00 3hna s ILE 1201Ca 0.74 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 61.21 3hna s ILE 1201Cb -0.40 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 3hna s ILE 1201CO 0.32 0.29 0.94 -1.61 0.00 0.00 0.00 174.94 174.88 3hna s GLU 1202N 1.65 4.38 0.10 2.79 2.02 -1.26 -0.23 118.70 128.15 3hna s GLU 1202Ca 0.07 1.20 -0.36 0.00 0.02 0.00 0.00 54.97 55.89 3hna s GLU 1202Cb -0.15 -2.48 -0.17 0.00 0.10 0.00 0.00 34.13 31.43 3hna s GLU 1202CO 0.08 0.12 1.29 0.00 0.02 0.00 0.00 175.26 176.77 3hna n ALA 1203N -0.07 -1.01 0.00 5.21 0.00 -1.23 -1.18 120.51 122.24 3hna n ALA 1203Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hna n ALA 1203Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 2.38 3.13 3.76 0.00 0.00 0.17 -4.93 105.19 109.69 3hna n GLY 1204Ca 0.18 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 -0.76 4.45 0.29 1.61 2.12 -0.32 -4.68 118.70 121.42 3hna s GLU 1205Ca 0.00 2.05 -0.29 0.00 0.36 0.00 0.00 54.97 57.09 3hna s GLU 1205Cb 0.00 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.16 3hna s GLU 1205CO 0.00 -0.07 1.26 -1.14 -0.54 0.00 0.00 175.26 174.76 3hna s GLN 1206N -1.31 4.43 0.31 4.30 0.74 -1.26 -1.48 119.66 125.39 3hna s GLN 1206Ca 0.49 2.08 -0.27 0.00 0.05 0.00 0.00 55.36 57.72 3hna s GLN 1206Cb -0.37 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 30.53 3hna s GLN 1206CO 0.46 -0.10 0.96 -0.51 -0.55 0.00 0.00 175.29 175.56 3hna s LEU 1207N -1.40 4.40 -0.01 3.68 1.43 0.13 -4.92 118.68 121.98 3hna s LEU 1207Ca 0.49 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 3hna s LEU 1207Cb -0.37 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 41.94 3hna s LEU 1207CO 0.47 -0.07 0.26 -0.83 0.23 0.00 0.00 176.35 176.41 3hna s GLY 1208N -1.47 -0.09 0.18 -3.19 0.00 -1.26 -4.08 107.32 97.40 3hna s GLY 1208Ca 0.49 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3hna s GLY 1208CO 0.27 0.01 0.03 -0.11 0.00 0.00 0.00 173.10 173.30 3hna s PHE 1209N -1.31 1.23 -0.52 1.90 -0.12 -1.09 -1.33 117.98 116.73 3hna s PHE 1209Ca -0.14 -1.09 -0.25 0.00 -0.05 0.00 0.00 56.93 55.41 3hna s PHE 1209Cb -0.06 -0.70 0.04 0.00 -0.63 0.00 0.00 43.02 41.67 3hna s PHE 1209CO 0.03 -0.29 0.95 0.34 -0.05 0.00 0.00 175.22 176.20 3hna s ASP 1210N -3.18 6.39 0.50 1.98 -1.08 -1.24 -1.40 116.67 118.63 3hna s ASP 1210Ca 0.27 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.28 3hna s ASP 1210Cb 0.07 -2.44 1.23 0.00 -1.46 0.00 0.00 42.92 40.31 3hna s ASP 1210CO 0.06 -1.18 2.09 1.88 0.52 0.00 0.00 175.17 178.53 3hna h TYR 1211N 9.25 0.10 0.00 -5.34 -1.99 -1.93 -3.49 116.97 113.57 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 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.77 3hna h TYR 1211CO 0.90 0.06 0.00 0.41 -0.00 0.00 0.00 178.16 179.53 3hna n GLY 1212N -1.56 0.60 0.17 3.88 0.00 -1.26 -4.49 105.19 102.53 3hna n GLY 1212Ca 0.02 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.07 0.00 1.61 4.39 -1.98 -2.41 114.58 116.27 3hna h GLU 1213Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 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 0.53 0.00 0.54 -1.16 0.00 0.00 179.01 178.92 3hna n ARG 1214N -3.98 0.13 -0.08 2.33 1.74 -1.26 -0.16 116.66 115.38 3hna n ARG 1214Ca -0.02 0.42 -0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3hna n ARG 1214Cb 0.50 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3hna n ARG 1214CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3hna h PHE 1215N 0.00 0.00 0.00 -1.55 3.57 -1.67 -3.41 116.94 113.88 3hna h PHE 1215Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3hna h PHE 1215Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3hna h PHE 1215CO 0.00 0.59 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.86 3hna h TRP 1216N -1.00 0.00 -0.66 0.41 4.06 -1.22 -0.77 115.95 116.77 3hna h TRP 1216Ca -0.12 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.95 3hna h TRP 1216Cb 0.75 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.87 3hna h TRP 1216CO -0.03 0.33 0.44 -0.44 -3.56 0.00 0.00 178.44 175.18 3hna h ASP 1217N 0.00 0.39 0.00 -3.49 3.32 -0.80 0.82 116.42 116.66 3hna h ASP 1217Ca -0.00 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.83 3hna h ASP 1217Cb 0.80 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3hna h ASP 1217CO 0.04 0.22 -1.33 -0.38 -1.72 0.00 0.00 179.24 176.07 3hna n ILE 1218N -4.47 1.52 0.13 0.35 2.08 -0.91 -4.60 119.36 113.46 3hna n ILE 1218Ca 0.11 -0.04 -0.00 0.00 0.56 0.00 0.00 62.75 63.38 3hna n ILE 1218Cb 0.42 -2.07 0.09 0.00 -0.75 0.00 0.00 39.64 37.33 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 -3.15 116.57 113.48 3hna h LYS 1219Ca -0.35 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.12 3hna h LYS 1219Cb 1.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3hna h LYS 1219CO -0.21 0.65 -0.02 0.78 -1.08 0.00 0.00 179.45 179.56 3hna h GLY 1220N 2.64 0.00 2.00 3.86 0.00 -0.94 0.57 103.07 111.20 3hna h GLY 1220Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3hna h GLY 1220CO 0.08 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.12 3hna h LYS 1221N 0.00 0.00 0.00 4.80 1.57 -1.74 -3.30 116.57 117.90 3hna h LYS 1221Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3hna h LYS 1221Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3hna h LYS 1221CO 0.00 0.00 -2.11 1.28 -0.57 0.00 0.00 179.45 178.05 3hna n LEU 1222N -2.84 2.81 -3.67 2.94 4.77 0.07 -5.07 117.00 116.01 3hna n LEU 1222Ca 0.00 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 3hna n LEU 1222Cb 0.25 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 3hna n LEU 1222CO 0.24 0.78 0.13 0.72 -1.33 0.00 0.00 177.39 177.94 3hna s PHE 1223N -2.39 -0.15 0.20 -1.77 -0.12 -0.49 -5.16 117.98 108.11 3hna s PHE 1223Ca -0.26 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.48 3hna s PHE 1223Cb 0.07 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3hna s PHE 1223CO 0.44 -0.69 0.32 -1.12 -0.05 0.00 0.00 175.22 174.11 3hna s SER 1224N -2.82 6.29 0.23 1.98 0.01 -1.26 -3.90 113.70 114.23 3hna s SER 1224Ca 0.04 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.09 3hna s SER 1224Cb 0.02 -1.86 -0.10 0.00 0.21 0.00 0.00 66.02 64.29 3hna s SER 1224CO -0.11 -0.02 1.45 0.00 0.41 0.00 0.00 173.24 174.97 3hna n ARG 1226N 2.68 2.24 0.26 0.00 1.74 -1.26 -4.55 116.66 117.76 3hna n ARG 1226Ca 0.08 -3.55 0.11 0.00 -0.77 0.00 0.00 57.85 53.72 3hna n ARG 1226Cb 0.40 -1.85 0.70 0.00 -1.02 0.00 0.00 32.46 30.69 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 -0.91 0.78 3.77 0.00 0.00 -1.26 -4.98 105.19 102.59 3hna n GLY 1228Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.70 6.79 0.66 1.61 0.15 -1.26 -4.89 113.70 114.06 3hna s SER 1229Ca 0.00 2.67 0.43 0.00 0.70 0.00 0.00 55.95 59.76 3hna s SER 1229Cb 0.00 -2.65 2.34 0.00 -1.71 0.00 0.00 66.02 64.01 3hna s SER 1229CO 0.00 -0.52 2.35 -0.65 1.20 0.00 0.00 173.24 175.62 3hna h PRO 1230N 3.40 0.00 -0.38 5.44 0.11 -2.03 -1.88 132.00 136.67 3hna h PRO 1230Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3hna h PRO 1230Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3hna h PRO 1230CO 0.65 0.00 0.02 1.63 -0.21 0.00 0.00 178.00 180.09 3hna n LYS 1231N -3.12 2.34 -1.69 1.05 5.02 -1.26 -5.03 118.16 115.47 3hna n LYS 1231Ca -0.03 -3.04 -0.44 0.00 -2.02 0.00 0.00 58.31 52.78 3hna n LYS 1231Cb 0.09 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 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 3.20 1.68 -1.54 0.00 1.74 -1.26 -4.63 116.66 115.85 3hna n ARG 1233Ca 0.15 -1.67 0.01 0.00 -0.77 0.00 0.00 57.85 55.57 3hna n ARG 1233Cb 0.31 -1.36 0.08 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 1.06 0.52 -1.00 -1.55 8.25 -1.26 -5.09 115.22 116.15 3hna n HIS 1234Ca 0.12 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 3hna n HIS 1234Cb 0.47 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3hna n HIS 1234CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85