#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fay h SER 962 N 0.00 0.37 0.21 0.00 0.87 -2.03 -3.27 113.55 109.70 3fay h SER 962 Ca 0.00 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 3fay h SER 962 Cb 0.00 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3fay h SER 962 CO 0.00 1.34 -0.08 0.50 -0.53 0.00 0.00 176.83 178.06 3fay h LYS 963 N 0.06 0.00 0.45 2.24 3.64 -2.05 -2.53 116.57 118.37 3fay h LYS 963 Ca -0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3fay h LYS 963 Cb 1.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 3fay h LYS 963 CO 0.18 0.08 -0.21 0.93 -2.27 0.00 0.00 179.45 178.16 3fay h GLU 964 N 0.00 -0.58 0.06 1.90 4.39 -2.00 -1.88 114.58 116.47 3fay h GLU 964 Ca -0.00 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.75 3fay h GLU 964 Cb 0.21 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 3fay h GLU 964 CO 0.01 -0.36 -0.42 -0.22 -1.16 0.00 0.00 179.01 176.86 3fay h LYS 965 N -0.64 -0.55 -0.57 2.33 1.63 -1.60 -2.44 116.57 114.73 3fay h LYS 965 Ca -0.06 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 3fay h LYS 965 Cb 0.48 0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 32.14 3fay h LYS 965 CO 0.10 -0.37 -0.53 -0.09 -3.45 0.00 0.00 179.45 175.12 3fay h ARG 966 N -0.57 -0.27 -0.99 1.90 1.12 -1.49 -0.85 114.38 113.23 3fay h ARG 966 Ca 0.00 0.02 0.14 0.00 -1.11 0.00 0.00 59.98 59.03 3fay h ARG 966 Cb 0.59 0.06 -0.09 0.00 -0.01 0.00 0.00 29.97 30.52 3fay h ARG 966 CO -0.25 -0.18 0.62 0.93 -3.11 0.00 0.00 179.97 177.99 3fay h GLU 967 N -0.28 0.87 -0.39 0.20 5.08 -1.24 0.93 114.58 119.75 3fay h GLU 967 Ca 0.12 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3fay h GLU 967 Cb 0.56 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3fay h GLU 967 CO -0.69 0.57 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.32 3fay h LYS 968 N 0.89 0.93 -0.69 2.33 3.64 -0.73 0.79 116.57 123.74 3fay h LYS 968 Ca 0.52 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3fay h LYS 968 Cb 0.64 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3fay h LYS 968 CO -0.29 1.13 0.23 -0.07 -2.27 0.00 0.00 179.45 178.19 3fay h LEU 969 N 0.75 0.97 -0.80 5.20 3.38 0.06 0.91 115.31 125.78 3fay h LEU 969 Ca 0.07 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3fay h LEU 969 Cb 0.95 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3fay h LEU 969 CO 0.09 0.89 -0.35 -0.33 0.09 0.00 0.00 178.44 178.83 3fay h GLU 970 N 1.01 0.48 -0.69 1.13 5.08 -0.63 -1.47 114.58 119.49 3fay h GLU 970 Ca 0.23 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3fay h GLU 970 Cb 0.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3fay h GLU 970 CO -0.01 0.77 0.27 0.00 -1.00 0.00 0.00 179.01 179.04 3fay h ALA 971 N 1.21 0.90 -0.49 3.43 0.00 0.16 -1.38 119.26 123.09 3fay h ALA 971 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3fay h ALA 971 Cb 0.81 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3fay h ALA 971 CO 0.07 0.53 0.22 1.88 0.00 0.00 0.00 179.25 181.95 3fay h TYR 972 N 0.99 0.73 -0.78 0.00 0.99 -0.54 -2.01 116.97 116.37 3fay h TYR 972 Ca 0.23 -0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.99 3fay h TYR 972 Cb 0.22 -0.22 -0.06 0.00 1.00 0.00 0.00 36.73 37.67 3fay h TYR 972 CO 0.02 0.60 0.45 1.96 -0.00 0.00 0.00 178.16 181.18 3fay h GLN 973 N 0.65 0.77 -0.50 4.88 1.08 -0.75 0.26 115.11 121.50 3fay h GLN 973 Ca 0.17 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3fay h GLN 973 Cb 0.16 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3fay h GLN 973 CO -0.02 0.51 0.30 1.25 -0.95 0.00 0.00 178.83 179.92 3fay h HIS 974 N 0.80 0.67 -0.22 2.96 2.76 -0.87 0.07 115.15 121.32 3fay h HIS 974 Ca 0.36 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 3fay h HIS 974 Cb 0.25 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3fay h HIS 974 CO -0.06 0.47 0.08 1.25 -1.30 0.00 0.00 177.93 178.37 3fay h LEU 975 N 0.67 0.32 -1.27 0.26 5.85 -0.61 -2.10 115.31 118.43 3fay h LEU 975 Ca 0.18 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3fay h LEU 975 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3fay h LEU 975 CO -0.03 0.43 0.50 -0.26 -0.34 0.00 0.00 178.44 178.73 3fay h PHE 976 N 0.20 0.92 -0.58 1.25 0.05 -0.23 -1.00 116.94 117.56 3fay h PHE 976 Ca 0.07 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.83 3fay h PHE 976 Cb 0.22 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.83 3fay h PHE 976 CO -0.00 0.56 0.12 -0.92 -0.18 0.00 0.00 178.31 177.89 3fay h TYR 977 N 0.97 0.94 -0.61 -0.55 3.20 -0.64 -1.32 116.97 118.96 3fay h TYR 977 Ca 0.29 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3fay h TYR 977 Cb -0.03 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3fay h TYR 977 CO -0.00 0.79 0.03 1.25 -1.64 0.00 0.00 178.16 178.60 3fay h LEU 978 N 0.86 1.02 -0.85 2.82 5.85 -0.55 -1.95 115.31 122.52 3fay h LEU 978 Ca 0.18 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3fay h LEU 978 Cb 0.34 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3fay h LEU 978 CO 0.00 1.05 0.46 -0.07 -0.34 0.00 0.00 178.44 179.54 3fay h LEU 979 N 0.97 1.07 -0.45 2.25 3.38 -0.70 -1.34 115.31 120.49 3fay h LEU 979 Ca 0.18 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3fay h LEU 979 Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3fay h LEU 979 CO 0.02 0.87 -0.15 1.56 0.09 0.00 0.00 178.44 180.83 3fay h GLN 980 N 1.19 0.89 0.00 1.13 4.20 -0.94 -3.25 115.11 118.33 3fay h GLN 980 Ca 0.30 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3fay h GLN 980 Cb 0.04 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3fay h GLN 980 CO -0.05 1.01 -0.18 0.25 -0.67 0.00 0.00 178.83 179.19 3fay n THR 981 N -4.23 0.48 -3.77 -0.54 -2.24 -0.76 -4.45 114.28 98.77 3fay n THR 981 Ca -0.00 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 3fay n THR 981 Cb 0.41 -0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.07 3fay n THR 981 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3fay s ASN 982 N -4.31 3.84 0.62 3.42 -0.87 -0.52 -4.98 114.94 112.13 3fay s ASN 982 Ca 0.10 -3.12 0.26 0.00 -1.57 0.00 0.00 52.86 48.54 3fay s ASN 982 Cb 0.13 -1.25 1.32 0.00 -0.02 0.00 0.00 41.25 41.42 3fay s ASN 982 CO 0.63 -0.19 1.74 1.55 -2.57 0.00 0.00 177.10 178.25 3fay h PRO 983 N 6.16 0.00 -0.42 -0.60 0.13 -1.78 -2.91 132.00 132.58 3fay h PRO 983 Ca 0.06 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.26 3fay h PRO 983 Cb 0.87 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.93 3fay h PRO 983 CO 0.58 0.00 0.01 1.15 -0.23 0.00 0.00 178.00 179.51 3fay h THR 984 N 0.00 0.69 -0.01 1.56 2.02 -1.94 -0.72 112.91 114.52 3fay h THR 984 Ca 0.18 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.35 3fay h THR 984 Cb 1.37 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 3fay h THR 984 CO -0.00 0.02 -0.41 1.88 0.37 0.00 0.00 175.52 177.38 3fay h TYR 985 N 0.12 -1.15 0.00 3.16 0.99 -1.72 -1.41 116.97 116.97 3fay h TYR 985 Ca 0.21 0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 3fay h TYR 985 Cb 0.30 0.51 -0.02 0.00 1.00 0.00 0.00 36.73 38.52 3fay h TYR 985 CO -0.27 -0.49 -0.57 -0.07 -0.00 0.00 0.00 178.16 176.76 3fay h LEU 986 N -0.56 0.00 -0.02 3.88 3.38 -1.75 -1.45 115.31 118.80 3fay h LEU 986 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fay h LEU 986 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fay h LEU 986 CO -0.31 0.57 0.01 0.00 0.09 0.00 0.00 178.44 178.80 3fay h ALA 987 N 1.43 0.02 -0.65 1.53 0.00 -0.80 -0.33 119.26 120.46 3fay h ALA 987 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fay h ALA 987 Cb 1.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3fay h ALA 987 CO 0.07 -0.45 0.42 0.87 0.00 0.00 0.00 179.25 180.17 3fay h LYS 988 N -0.03 0.86 -0.47 0.00 1.79 -1.13 -2.46 116.57 115.12 3fay h LYS 988 Ca 0.01 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3fay h LYS 988 Cb 0.05 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.47 3fay h LYS 988 CO -0.00 0.58 0.20 1.25 -1.08 0.00 0.00 179.45 180.40 3fay h LEU 989 N 0.88 0.25 -0.97 2.94 5.85 -0.87 -1.88 115.31 121.52 3fay h LEU 989 Ca 0.24 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3fay h LEU 989 Cb -0.09 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3fay h LEU 989 CO -0.05 0.18 0.62 0.40 -0.34 0.00 0.00 178.44 179.25 3fay h ILE 990 N 0.40 1.26 -0.95 4.05 2.04 -0.73 -2.09 117.51 121.49 3fay h ILE 990 Ca 0.21 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.62 3fay h ILE 990 Cb 0.17 -0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.04 3fay h ILE 990 CO -0.19 0.26 0.61 0.15 0.00 0.00 0.00 178.15 178.98 3fay h PHE 991 N 1.33 1.14 -0.56 1.37 3.57 -0.91 -3.46 116.94 119.43 3fay h PHE 991 Ca 0.35 0.03 -0.56 0.00 3.53 0.00 0.00 57.97 61.32 3fay h PHE 991 Cb -0.11 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.20 3fay h PHE 991 CO 0.00 0.62 1.94 1.04 -2.23 0.00 0.00 178.31 179.68 3fay n GLN 992 N -4.52 2.47 -4.69 1.11 1.13 -0.79 -5.06 117.38 107.03 3fay n GLN 992 Ca 0.14 -2.81 -0.34 0.00 -1.94 0.00 0.00 57.00 52.05 3fay n GLN 992 Cb 0.14 -3.50 -0.12 0.00 0.11 0.00 0.00 30.24 26.87 3fay n GLN 992 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3fay s PRO 994 N 4.94 2.69 -1.01 -1.09 0.04 -1.26 -5.07 135.00 134.23 3fay s PRO 994 Ca 0.58 -0.58 -0.23 0.00 0.04 0.00 0.00 61.00 60.81 3fay s PRO 994 Cb 0.04 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3fay s PRO 994 CO 0.08 0.66 1.82 -0.65 0.04 0.00 0.00 177.00 178.95 3fay s GLN 995 N -0.79 2.88 0.07 4.56 -1.52 -1.26 -4.95 119.66 118.64 3fay s GLN 995 Ca 0.12 -0.77 0.02 0.00 -1.95 0.00 0.00 55.36 52.78 3fay s GLN 995 Cb -0.11 -5.20 -0.04 0.00 -0.22 0.00 0.00 33.01 27.44 3fay s GLN 995 CO 0.01 -3.15 0.15 -0.80 -0.25 0.00 0.00 175.29 171.25 3fay s ASN 996 N 6.78 5.97 0.57 5.90 0.01 -1.26 -4.98 114.94 127.93 3fay s ASN 996 Ca 0.63 0.13 0.33 0.00 -0.71 0.00 0.00 52.86 53.25 3fay s ASN 996 Cb -0.03 -1.73 1.70 0.00 0.41 0.00 0.00 41.25 41.60 3fay s ASN 996 CO 0.01 0.17 2.14 0.11 -1.51 0.00 0.00 177.10 178.02 3fay h LYS 997 N 3.13 0.00 -6.52 -0.60 1.57 -1.95 -3.42 116.57 108.78 3fay h LYS 997 Ca -0.46 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.65 3fay h LYS 997 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 3fay h LYS 997 CO 0.71 0.06 -0.74 0.45 -0.57 0.00 0.00 179.45 179.36 3fay s SER 998 N -5.83 4.35 -0.03 0.86 0.15 -1.26 -5.01 113.70 106.93 3fay s SER 998 Ca -0.03 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.32 3fay s SER 998 Cb 0.12 -0.84 0.13 0.00 -1.71 0.00 0.00 66.02 63.73 3fay s SER 998 CO 0.53 0.20 1.09 0.35 1.20 0.00 0.00 173.24 176.62 3fay n THR 999 N 0.92 1.19 -0.33 6.45 -2.24 -1.26 -4.82 114.28 114.20 3fay n THR 999 Ca -0.14 -1.23 0.01 0.00 -2.27 0.00 0.00 64.05 60.43 3fay n THR 999 Cb 0.52 0.36 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 3fay n THR 999 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3fay n LYS 1000N -0.43 -0.16 0.00 -0.78 3.00 -1.26 -0.36 118.16 118.17 3fay n LYS 1000Ca 0.06 1.34 0.00 0.00 -0.00 0.00 0.00 58.31 59.71 3fay n LYS 1000Cb 0.37 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.40 3fay n LYS 1000CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3fay n PHE 1001N -5.33 0.00 0.00 5.64 7.35 -1.26 -2.66 117.46 121.20 3fay n PHE 1001Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 3fay n PHE 1001Cb 0.38 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.18 3fay n PHE 1001CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3fay n ASP 1003N 0.12 0.00 0.06 -2.13 9.92 0.52 -1.95 116.55 123.08 3fay n ASP 1003Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 3fay n ASP 1003Cb 0.08 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 40.73 3fay n ASP 1003CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3fay h SER 1004N 0.00 0.38 0.11 -2.24 4.64 -1.74 -0.76 113.55 113.94 3fay h SER 1004Ca 0.00 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3fay h SER 1004Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3fay h SER 1004CO 0.00 0.76 -0.05 0.58 -0.87 0.00 0.00 176.83 177.24 3fay h VAL 1005N 0.30 1.07 0.45 0.95 2.07 -1.68 -2.85 116.25 116.56 3fay h VAL 1005Ca 0.03 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3fay h VAL 1005Cb 0.86 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3fay h VAL 1005CO 0.07 0.18 -0.22 0.40 0.02 0.00 0.00 177.57 178.02 3fay h ILE 1006N -0.49 0.27 -0.96 4.57 1.08 -1.83 -3.21 117.51 116.94 3fay h ILE 1006Ca -0.01 -0.56 0.13 0.00 -0.39 0.00 0.00 64.86 64.02 3fay h ILE 1006Cb 0.40 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 34.47 3fay h ILE 1006CO 0.02 0.05 0.59 -0.26 -0.69 0.00 0.00 178.15 177.87 3fay h PHE 1007N -1.05 1.06 -0.87 1.37 0.05 -1.29 -1.29 116.94 114.91 3fay h PHE 1007Ca -0.06 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.81 3fay h PHE 1007Cb 0.56 -0.33 -0.06 0.00 2.00 0.00 0.00 35.95 38.12 3fay h PHE 1007CO 0.02 0.38 0.55 1.15 -0.18 0.00 0.00 178.31 180.22 3fay h THR 1008N 0.89 1.08 0.00 -1.55 2.02 -1.59 0.11 112.91 113.88 3fay h THR 1008Ca 0.49 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3fay h THR 1008Cb 0.55 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3fay h THR 1008CO -0.29 0.19 0.00 -0.07 0.37 0.00 0.00 175.52 175.72 3fay h LEU 1009N 1.03 0.00 -3.01 2.58 3.38 -1.23 -1.17 115.31 116.89 3fay h LEU 1009Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3fay h LEU 1009Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3fay h LEU 1009CO -0.15 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.16 3fay n TYR 1010N -2.70 0.53 -3.17 1.13 4.02 -0.43 -4.87 117.16 111.67 3fay n TYR 1010Ca -0.01 -0.64 -0.22 0.00 -0.01 0.00 0.00 57.90 57.02 3fay n TYR 1010Cb 0.13 -0.12 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 3fay n TYR 1010CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3fay n ASN 1011N 0.00 -4.70 -3.09 7.72 3.02 -0.44 -1.00 115.26 116.77 3fay n ASN 1011Ca 0.13 -0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 54.16 3fay n ASN 1011Cb 0.55 -3.85 0.01 0.00 -0.61 0.00 0.00 39.78 35.89 3fay n ASN 1011CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3fay n TYR 1012N -4.14 -1.78 -3.49 3.10 4.02 0.26 -2.13 117.16 113.01 3fay n TYR 1012Ca -0.06 0.41 -0.19 0.00 -0.01 0.00 0.00 57.90 58.05 3fay n TYR 1012Cb 0.58 -3.49 0.07 0.00 -0.02 0.00 0.00 39.34 36.47 3fay n TYR 1012CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fay n ALA 1013N -3.32 -2.14 0.29 -0.72 0.00 -0.17 -4.89 120.51 109.56 3fay n ALA 1013Ca -0.07 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.47 3fay n ALA 1013Cb 0.58 -3.02 0.80 0.00 0.00 0.00 0.00 19.45 17.82 3fay n ALA 1013CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fay h SER 1014N -1.74 0.00 -5.56 0.00 4.64 -1.54 -3.43 113.55 105.92 3fay h SER 1014Ca -0.60 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.49 3fay h SER 1014Cb 1.34 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 3fay h SER 1014CO 0.51 0.04 -0.61 0.54 -0.87 0.00 0.00 176.83 176.44 3fay s ASN 1015N -5.68 0.16 0.39 4.97 2.20 -1.26 -5.05 114.94 110.67 3fay s ASN 1015Ca -0.01 -1.36 0.11 0.00 -0.94 0.00 0.00 52.86 50.66 3fay s ASN 1015Cb 0.11 0.38 0.91 0.00 -2.00 0.00 0.00 41.25 40.64 3fay s ASN 1015CO 0.53 -0.84 1.93 -0.61 -2.94 0.00 0.00 177.10 175.17 3fay h GLN 1016N 2.63 0.55 -0.01 3.55 4.15 -1.94 -0.21 115.11 123.84 3fay h GLN 1016Ca -0.36 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 3fay h GLN 1016Cb 1.25 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3fay h GLN 1016CO 0.53 0.37 0.00 -0.09 -1.93 0.00 0.00 178.83 177.71 3fay h ARG 1017N 0.57 0.01 -0.49 1.69 2.43 -1.97 -0.46 114.38 116.15 3fay h ARG 1017Ca 0.35 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 3fay h ARG 1017Cb 0.60 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3fay h ARG 1017CO -0.13 0.18 -0.07 0.93 -1.51 0.00 0.00 179.97 179.36 3fay h GLU 1018N -0.16 0.88 -0.41 0.20 5.08 -1.79 -1.33 114.58 117.06 3fay h GLU 1018Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3fay h GLU 1018Cb 0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3fay h GLU 1018CO -0.00 0.92 0.27 1.49 -1.00 0.00 0.00 179.01 180.69 3fay h GLU 1019N 0.80 0.54 0.18 2.33 4.81 -0.90 0.22 114.58 122.54 3fay h GLU 1019Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3fay h GLU 1019Cb 0.58 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3fay h GLU 1019CO 0.04 0.36 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.67 3fay h TYR 1020N 0.55 -0.22 -0.51 0.92 3.20 -0.71 -2.05 116.97 118.15 3fay h TYR 1020Ca 0.15 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3fay h TYR 1020Cb -0.06 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3fay h TYR 1020CO -0.05 -0.11 0.13 -0.07 -1.64 0.00 0.00 178.16 176.42 3fay h LEU 1021N -0.26 0.71 -0.04 2.82 3.38 -0.99 -2.19 115.31 118.74 3fay h LEU 1021Ca -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3fay h LEU 1021Cb 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fay h LEU 1021CO 0.04 0.70 0.02 0.25 0.09 0.00 0.00 178.44 179.54 3fay h LEU 1022N 0.74 0.05 -1.80 1.67 5.85 -0.37 -1.80 115.31 119.65 3fay h LEU 1022Ca 0.17 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3fay h LEU 1022Cb 0.27 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3fay h LEU 1022CO -0.00 0.17 0.17 -0.07 -0.34 0.00 0.00 178.44 178.37 3fay h LEU 1023N -0.07 0.22 -0.60 2.25 3.38 -1.23 -0.01 115.31 119.26 3fay h LEU 1023Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3fay h LEU 1023Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3fay h LEU 1023CO -0.00 0.16 0.16 0.03 0.09 0.00 0.00 178.44 178.88 3fay h ARG 1024N 0.26 0.95 -0.04 1.13 3.08 -0.82 0.19 114.38 119.13 3fay h ARG 1024Ca 0.10 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3fay h ARG 1024Cb 0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3fay h ARG 1024CO -0.02 0.86 0.02 1.25 -1.07 0.00 0.00 179.97 181.01 3fay h LEU 1025N 0.86 0.05 -0.35 3.04 5.85 -0.25 -0.52 115.31 123.99 3fay h LEU 1025Ca 0.19 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3fay h LEU 1025Cb 0.33 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3fay h LEU 1025CO -0.00 0.13 0.04 -0.26 -0.34 0.00 0.00 178.44 178.01 3fay h PHE 1026N -0.03 0.06 0.15 1.25 0.05 -0.86 0.26 116.94 117.81 3fay h PHE 1026Ca 0.01 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.84 3fay h PHE 1026Cb 0.09 0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.05 3fay h PHE 1026CO -0.04 -0.02 -0.19 -0.22 -0.18 0.00 0.00 178.31 177.66 3fay h LYS 1027N 0.15 -0.37 -0.12 1.51 3.64 -0.82 0.20 116.57 120.77 3fay h LYS 1027Ca 0.17 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3fay h LYS 1027Cb 0.21 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3fay h LYS 1027CO -0.25 -0.25 -0.03 1.15 -2.27 0.00 0.00 179.45 177.80 3fay h THR 1028N -0.39 0.89 -0.29 1.00 2.02 -0.56 -0.98 112.91 114.60 3fay h THR 1028Ca 0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3fay h THR 1028Cb 0.38 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3fay h THR 1028CO -0.07 0.00 0.12 0.00 0.37 0.00 0.00 175.52 175.94 3fay h ALA 1029N 1.11 0.37 -0.18 6.16 0.00 -0.36 -1.56 119.26 124.81 3fay h ALA 1029Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fay h ALA 1029Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fay h ALA 1029CO -0.12 -0.04 0.05 1.25 0.00 0.00 0.00 179.25 180.39 3fay h LEU 1030N 0.32 0.04 -0.42 0.00 6.46 -0.45 0.13 115.31 121.39 3fay h LEU 1030Ca 0.10 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 3fay h LEU 1030Cb 0.17 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 3fay h LEU 1030CO -0.01 0.05 0.08 1.56 -0.62 0.00 0.00 178.44 179.50 3fay h GLN 1031N 0.13 0.20 -0.10 1.25 4.20 -1.07 -0.24 115.11 119.48 3fay h GLN 1031Ca 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3fay h GLN 1031Cb 0.06 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3fay h GLN 1031CO -0.09 0.13 0.07 1.49 -0.67 0.00 0.00 178.83 179.76 3fay h GLU 1032N 0.21 0.13 -0.43 1.46 4.57 -0.75 -2.03 114.58 117.75 3fay h GLU 1032Ca 0.20 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3fay h GLU 1032Cb 0.25 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 3fay h GLU 1032CO -0.27 0.10 0.15 1.49 -1.18 0.00 0.00 179.01 179.30 3fay h GLU 1033N 0.13 0.31 -0.60 1.92 4.81 -0.02 -0.41 114.58 120.71 3fay h GLU 1033Ca 0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3fay h GLU 1033Cb -0.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3fay h GLU 1033CO -0.01 0.20 0.29 0.82 -0.73 0.00 0.00 179.01 179.59 3fay h ILE 1034N 0.31 1.21 -0.41 2.32 1.08 -0.97 0.03 117.51 121.08 3fay h ILE 1034Ca 0.20 -0.58 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3fay h ILE 1034Cb 0.19 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3fay h ILE 1034CO -0.20 0.24 -0.15 0.50 -0.69 0.00 0.00 178.15 177.84 3fay h LYS 1035N 0.81 0.76 0.00 2.37 3.64 -0.78 -3.23 116.57 120.15 3fay h LYS 1035Ca 0.21 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3fay h LYS 1035Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3fay h LYS 1035CO -0.03 0.87 -0.18 0.43 -2.27 0.00 0.00 179.45 178.27 3fay n SER 1036N -4.15 1.89 0.00 4.20 7.64 -0.22 -4.81 113.62 118.17 3fay n SER 1036Ca 0.01 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.85 3fay n SER 1036Cb 0.39 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3fay n SER 1036CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fay n LYS 1037N -1.13 0.00 -2.94 1.43 5.02 -0.02 -5.00 118.16 115.52 3fay n LYS 1037Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 3fay n LYS 1037Cb 0.67 -0.42 -0.05 0.00 -0.02 0.00 0.00 35.03 35.21 3fay n LYS 1037CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fay s VAL 1038N -1.00 4.59 -0.12 -0.18 1.01 -1.13 -4.93 120.40 118.65 3fay s VAL 1038Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 3fay s VAL 1038Cb 0.00 -4.38 -0.18 0.00 0.00 0.00 0.00 36.38 31.82 3fay s VAL 1038CO 0.00 -0.84 0.55 0.44 0.00 0.00 0.00 175.10 175.25 3fay h ASP 1039N 9.07 -0.01 -0.64 3.32 3.32 -1.94 -3.42 116.42 126.13 3fay h ASP 1039Ca -0.25 -0.67 -0.32 0.00 0.02 0.00 0.00 57.03 55.81 3fay h ASP 1039Cb 1.08 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 3fay h ASP 1039CO 1.00 0.82 -1.08 0.00 -1.72 0.00 0.00 179.24 178.26 3fay n GLN 1040N -4.68 1.96 0.00 3.56 6.02 -1.26 -5.09 117.38 117.90 3fay n GLN 1040Ca -0.07 -3.60 0.00 0.00 -0.01 0.00 0.00 57.00 53.32 3fay n GLN 1040Cb 0.32 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3fay n GLN 1040CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3fay n ILE 1041N -0.50 0.00 0.00 5.09 5.41 -1.26 -4.65 119.36 123.45 3fay n ILE 1041Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 3fay n ILE 1041Cb 0.82 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.75 3fay n ILE 1041CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fay n GLN 1042N -0.38 0.00 0.19 0.38 1.13 -1.26 -4.39 117.38 113.05 3fay n GLN 1042Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 3fay n GLN 1042Cb 0.00 -2.49 0.40 0.00 0.11 0.00 0.00 30.24 28.25 3fay n GLN 1042CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3fay h GLU 1043N 0.00 0.00 -0.31 -1.09 5.08 -1.97 0.40 114.58 116.69 3fay h GLU 1043Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3fay h GLU 1043Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3fay h GLU 1043CO 0.00 0.34 0.08 0.82 -1.00 0.00 0.00 179.01 179.26 3fay h ILE 1044N 0.00 1.15 0.00 3.13 2.04 -1.92 0.49 117.51 122.39 3fay h ILE 1044Ca -0.00 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 3fay h ILE 1044Cb 0.65 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3fay h ILE 1044CO 0.04 0.18 -0.76 0.58 0.00 0.00 0.00 178.15 178.20 3fay h VAL 1045N 0.45 0.87 -0.10 1.67 2.07 -1.62 -3.42 116.25 116.18 3fay h VAL 1045Ca 0.11 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.66 3fay h VAL 1045Cb 0.17 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3fay h VAL 1045CO -0.00 0.30 -0.15 0.74 0.02 0.00 0.00 177.57 178.48 3fay h THR 1046N -1.00 1.38 -0.45 2.57 2.02 -0.22 -3.47 112.91 113.74 3fay h THR 1046Ca -0.19 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3fay h THR 1046Cb 1.00 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 3fay h THR 1046CO -0.11 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.78 3fay n GLY 1047N 0.35 -0.07 2.44 2.16 0.00 0.17 -5.03 105.19 105.20 3fay n GLY 1047Ca -0.07 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 3fay n GLY 1047CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fay n ASN 1048N 0.00 3.14 -4.55 1.61 3.02 -1.26 -4.93 115.26 112.30 3fay n ASN 1048Ca 0.00 -3.33 -0.42 0.00 -0.03 0.00 0.00 54.58 50.80 3fay n ASN 1048Cb 0.00 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.48 3fay n ASN 1048CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fay n PRO 1049N 0.79 1.34 -0.21 3.52 -0.04 -1.26 -4.84 135.00 134.30 3fay n PRO 1049Ca 0.28 0.26 -0.02 0.00 -0.04 0.00 0.00 63.50 63.98 3fay n PRO 1049Cb 0.44 -3.07 0.04 0.00 -0.04 0.00 0.00 33.50 30.87 3fay n PRO 1049CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3fay h THR 1050N 7.41 0.27 -0.41 0.52 2.02 -1.97 -2.33 112.91 118.42 3fay h THR 1050Ca -0.30 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 3fay h THR 1050Cb 1.27 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3fay h THR 1050CO 1.07 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 177.52 3fay h VAL 1051N -0.07 1.26 -0.28 3.16 2.07 -1.94 -3.16 116.25 117.29 3fay h VAL 1051Ca 0.28 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3fay h VAL 1051Cb 0.51 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3fay h VAL 1051CO -0.67 0.36 0.03 0.40 0.02 0.00 0.00 177.57 177.70 3fay h ILE 1052N 0.57 0.83 0.00 4.57 1.08 -1.83 -0.65 117.51 122.08 3fay h ILE 1052Ca 0.11 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3fay h ILE 1052Cb 0.51 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3fay h ILE 1052CO 0.02 0.02 0.00 2.29 -0.69 0.00 0.00 178.15 179.80 3fay n LYS 1053N -5.12 0.63 0.00 2.37 2.85 -0.92 -1.64 118.16 116.32 3fay n LYS 1053Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3fay n LYS 1053Cb 0.13 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 3fay n LYS 1053CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3fay n VAL 1055N 1.61 0.00 -0.14 0.58 0.31 -0.25 -0.62 118.33 119.82 3fay n VAL 1055Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3fay n VAL 1055Cb 0.32 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3fay n VAL 1055CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3fay h VAL 1056N 0.00 1.17 -0.77 2.52 2.07 -1.57 -1.62 116.25 118.05 3fay h VAL 1056Ca 0.00 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3fay h VAL 1056Cb 0.00 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3fay h VAL 1056CO 0.00 0.18 0.50 -1.28 0.02 0.00 0.00 177.57 176.99 3fay h SER 1057N 0.53 0.82 -0.42 0.57 0.87 -1.13 -1.26 113.55 113.53 3fay h SER 1057Ca 0.14 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3fay h SER 1057Cb 0.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3fay h SER 1057CO -0.02 0.57 0.24 0.15 -0.53 0.00 0.00 176.83 177.24 3fay h PHE 1058N 0.97 0.61 0.00 2.24 3.57 -1.70 -1.84 116.94 120.80 3fay h PHE 1058Ca 0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3fay h PHE 1058Cb -0.01 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3fay h PHE 1058CO -0.03 0.44 0.00 0.09 -2.23 0.00 0.00 178.31 176.58 3fay n ASN 1059N -4.41 0.68 -1.04 0.41 3.02 -0.49 -2.27 115.26 111.17 3fay n ASN 1059Ca 0.04 -1.97 0.12 0.00 -0.03 0.00 0.00 54.58 52.73 3fay n ASN 1059Cb 0.11 -0.34 0.16 0.00 -0.61 0.00 0.00 39.78 39.09 3fay n ASN 1059CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fay n ARG 1060N -0.15 2.36 -1.77 3.52 5.12 -0.69 -3.59 116.66 121.47 3fay n ARG 1060Ca 0.00 -2.09 -0.17 0.00 -1.93 0.00 0.00 57.85 53.65 3fay n ARG 1060Cb 0.17 -1.48 0.10 0.00 -1.16 0.00 0.00 32.46 30.10 3fay n ARG 1060CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fay n GLY 1061N 1.39 0.04 0.35 -0.13 0.00 -0.96 -4.61 105.19 101.27 3fay n GLY 1061Ca 0.16 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3fay n GLY 1061CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fay n ALA 1062N -3.14 -0.54 0.06 4.61 0.00 -1.26 -0.56 120.51 119.68 3fay n ALA 1062Ca -0.13 0.71 -0.06 0.00 0.00 0.00 0.00 53.44 53.97 3fay n ALA 1062Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3fay n ALA 1062CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fay h ARG 1063N 0.00 -0.26 -0.79 0.00 9.65 -1.93 -0.66 114.38 120.39 3fay h ARG 1063Ca 0.13 0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.18 3fay h ARG 1063Cb 0.34 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.89 3fay h ARG 1063CO -0.79 -0.17 0.34 0.78 2.80 0.00 0.00 179.97 182.93 3fay h GLY 1064N -0.27 1.24 0.96 2.80 0.00 -1.60 -1.82 103.07 104.38 3fay h GLY 1064Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3fay h GLY 1064CO -0.07 -0.10 0.16 -1.61 0.00 0.00 0.00 176.54 174.92 3fay h GLN 1065N 0.48 0.39 -0.73 4.80 4.15 -0.71 -1.11 115.11 122.40 3fay h GLN 1065Ca 0.44 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.85 3fay h GLN 1065Cb 0.67 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 3fay h GLN 1065CO -0.41 0.33 0.45 -0.97 -1.93 0.00 0.00 178.83 176.30 3fay h ASN 1066N 0.35 0.73 -0.10 -0.69 -1.24 -0.46 -2.10 115.58 112.07 3fay h ASN 1066Ca 0.10 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3fay h ASN 1066Cb 0.04 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 3fay h ASN 1066CO -0.02 0.50 0.05 0.00 -1.29 0.00 0.00 177.43 176.67 3fay h ALA 1067N 1.32 0.12 -0.70 1.57 0.00 -0.99 -2.32 119.26 118.26 3fay h ALA 1067Ca 0.30 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3fay h ALA 1067Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3fay h ALA 1067CO -0.12 -0.32 0.42 -0.07 0.00 0.00 0.00 179.25 179.16 3fay h LEU 1068N 0.03 0.66 -0.77 0.00 3.38 -0.90 -2.08 115.31 115.63 3fay h LEU 1068Ca 0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3fay h LEU 1068Cb 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3fay h LEU 1068CO -0.00 0.44 0.29 0.08 0.09 0.00 0.00 178.44 179.34 3fay h ARG 1069N 0.80 1.16 -0.50 1.13 0.11 -1.26 0.17 114.38 115.99 3fay h ARG 1069Ca 0.30 -0.22 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 3fay h ARG 1069Cb 0.10 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 30.97 3fay h ARG 1069CO -0.14 0.95 0.30 1.96 0.10 0.00 0.00 179.97 183.13 3fay h GLN 1070N 1.12 0.68 0.06 0.08 4.20 -0.90 0.13 115.11 120.48 3fay h GLN 1070Ca 0.25 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 3fay h GLN 1070Cb 0.23 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.88 3fay h GLN 1070CO -0.02 0.48 -0.56 0.82 -0.67 0.00 0.00 178.83 178.88 3fay h ILE 1071N 0.69 1.53 0.00 2.54 2.04 -0.76 -3.42 117.51 120.13 3fay h ILE 1071Ca 0.18 -2.30 -0.36 0.00 1.00 0.00 0.00 64.86 63.38 3fay h ILE 1071Cb -0.02 3.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.00 3fay h ILE 1071CO -0.03 0.65 -2.35 0.18 0.00 0.00 0.00 178.15 176.59 3fay n LEU 1072N -4.27 0.21 -0.26 1.44 4.77 0.55 -4.69 117.00 114.74 3fay n LEU 1072Ca -0.12 -0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 3fay n LEU 1072Cb 0.69 0.39 0.04 0.00 -2.33 0.00 0.00 43.42 42.21 3fay n LEU 1072CO 0.45 0.51 0.65 0.00 -1.33 0.00 0.00 177.39 177.67 3fay h ALA 1073N 0.90 0.19 -0.37 -1.18 0.00 -1.14 -1.11 119.26 116.55 3fay h ALA 1073Ca -0.53 0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3fay h ALA 1073Cb 2.18 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 20.65 3fay h ALA 1073CO 0.02 -0.57 -0.20 -1.35 0.00 0.00 0.00 179.25 177.14 3fay h PRO 1074N -0.08 -0.14 -0.15 0.00 0.11 -1.84 0.66 132.00 130.57 3fay h PRO 1074Ca 0.30 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 3fay h PRO 1074Cb 0.57 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3fay h PRO 1074CO -0.78 -0.09 -0.63 -0.39 -0.21 0.00 0.00 178.00 175.89 3fay h VAL 1075N -0.14 1.34 -0.69 3.15 -1.51 -1.75 -2.32 116.25 114.33 3fay h VAL 1075Ca 0.18 -1.93 -0.07 0.00 -1.23 0.00 0.00 66.70 63.65 3fay h VAL 1075Cb 0.43 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.47 3fay h VAL 1075CO -0.46 0.59 0.16 0.58 -1.23 0.00 0.00 177.57 177.21 3fay h VAL 1076N 0.39 1.26 -0.46 7.19 2.07 -0.90 -1.99 116.25 123.81 3fay h VAL 1076Ca -0.01 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3fay h VAL 1076Cb 1.20 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3fay h VAL 1076CO 0.12 0.37 0.26 0.11 0.02 0.00 0.00 177.57 178.45 3fay h LYS 1077N 1.04 0.64 -0.31 1.57 1.57 -0.80 -2.62 116.57 117.66 3fay h LYS 1077Ca 0.21 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3fay h LYS 1077Cb 0.38 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 3fay h LYS 1077CO 0.00 0.50 -0.10 0.93 -0.57 0.00 0.00 179.45 180.21 3fay h GLU 1078N 0.61 -0.04 -1.33 3.15 5.08 -1.05 0.17 114.58 121.18 3fay h GLU 1078Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3fay h GLU 1078Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3fay h GLU 1078CO -0.03 -0.03 0.00 -0.89 -1.00 0.00 0.00 179.01 177.07 3fay n ILE 1079N -5.28 0.01 0.00 3.13 2.08 -0.78 -1.44 119.36 117.07 3fay n ILE 1079Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3fay n ILE 1079Cb 0.20 -0.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 3fay n ILE 1079CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3fay n ASP 1081N 0.83 0.00 -4.52 4.38 10.43 0.60 -4.75 116.55 123.52 3fay n ASP 1081Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 3fay n ASP 1081Cb 0.01 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 42.88 3fay n ASP 1081CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fay n ASP 1082N 0.00 1.44 -0.01 -2.24 -0.08 -0.52 -4.78 116.55 110.36 3fay n ASP 1082Ca 0.00 -0.13 -0.12 0.00 -1.51 0.00 0.00 54.79 53.03 3fay n ASP 1082Cb 0.00 -1.27 0.00 0.00 2.34 0.00 0.00 41.12 42.19 3fay n ASP 1082CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3fay h LYS 1083N 15.71 0.64 -2.35 -0.67 1.79 -1.91 -3.30 116.57 126.48 3fay h LYS 1083Ca -0.16 -0.45 -0.75 0.00 -2.18 0.00 0.00 60.65 57.10 3fay h LYS 1083Cb 1.29 0.07 -0.20 0.00 -1.58 0.00 0.00 32.23 31.81 3fay h LYS 1083CO 1.24 1.07 1.53 -1.13 -1.08 0.00 0.00 179.45 181.09 3fay n SER 1084N -3.94 7.58 -4.50 0.86 3.41 -1.26 -4.94 113.62 110.83 3fay n SER 1084Ca -0.05 -3.44 -0.40 0.00 -0.26 0.00 0.00 58.87 54.72 3fay n SER 1084Cb 0.66 -1.24 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 3fay n SER 1084CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fay s LEU 1085N -3.24 4.42 -0.31 1.04 2.96 -1.24 -5.04 118.68 117.26 3fay s LEU 1085Ca 0.48 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3fay s LEU 1085Cb 0.23 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.90 3fay s LEU 1085CO -0.15 -0.23 -0.01 0.21 -1.32 0.00 0.00 176.35 174.86 3fay s ASN 1086N 1.69 4.67 -0.12 3.68 3.84 -1.26 -4.90 114.94 122.54 3fay s ASN 1086Ca 0.06 -1.86 0.14 0.00 0.21 0.00 0.00 52.86 51.41 3fay s ASN 1086Cb -0.17 -1.61 0.29 0.00 -0.55 0.00 0.00 41.25 39.21 3fay s ASN 1086CO 0.09 -0.31 1.15 2.30 -2.79 0.00 0.00 177.10 177.54 3fay n ILE 1087N 4.33 1.49 -1.98 -5.21 -5.35 -1.26 -4.56 119.36 106.82 3fay n ILE 1087Ca -0.03 -2.05 -0.42 0.00 -0.27 0.00 0.00 62.75 59.98 3fay n ILE 1087Cb 0.42 -0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.29 3fay n ILE 1087CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3fay s LYS 1088N -2.23 4.22 0.00 6.28 2.20 -1.26 -4.89 119.74 124.06 3fay s LYS 1088Ca 0.29 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3fay s LYS 1088Cb 0.27 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3fay s LYS 1088CO -0.02 -0.65 0.79 -2.37 -0.36 0.00 0.00 175.35 172.74 3fay n THR 1089N 4.38 0.57 -3.29 3.43 5.66 -1.26 -4.58 114.28 119.19 3fay n THR 1089Ca 0.14 -0.79 -0.43 0.00 -3.05 0.00 0.00 64.05 59.93 3fay n THR 1089Cb 0.40 0.72 -0.08 0.00 -1.55 0.00 0.00 70.33 69.82 3fay n THR 1089CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3fay s ASP 1090N -0.58 6.23 0.33 1.09 -1.08 -1.26 -4.97 116.67 116.42 3fay s ASP 1090Ca 0.00 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 51.64 3fay s ASP 1090Cb 0.00 -2.24 0.88 0.00 -1.46 0.00 0.00 42.92 40.10 3fay s ASP 1090CO 0.00 -0.57 1.75 1.55 0.52 0.00 0.00 175.17 178.42 3fay h PRO 1091N 8.69 0.58 -0.31 4.34 0.13 -1.93 -0.69 132.00 142.81 3fay h PRO 1091Ca -0.27 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 3fay h PRO 1091Cb 1.11 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3fay h PRO 1091CO 0.79 0.39 0.01 0.28 -0.23 0.00 0.00 178.00 179.24 3fay h VAL 1092N 0.60 1.26 -0.35 1.56 2.07 -1.89 -0.94 116.25 118.55 3fay h VAL 1092Ca 0.62 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3fay h VAL 1092Cb 1.18 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3fay h VAL 1092CO -0.43 0.30 0.20 0.44 0.02 0.00 0.00 177.57 178.11 3fay h ASP 1093N 0.35 0.44 -0.98 0.57 3.32 -1.64 -0.59 116.42 117.90 3fay h ASP 1093Ca 0.09 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3fay h ASP 1093Cb 0.43 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 3fay h ASP 1093CO 0.02 0.39 0.64 0.40 -1.72 0.00 0.00 179.24 178.96 3fay h ILE 1094N 0.45 1.17 0.63 0.35 2.04 -1.08 -0.18 117.51 120.89 3fay h ILE 1094Ca 0.13 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3fay h ILE 1094Cb 0.04 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3fay h ILE 1094CO -0.02 0.23 -0.30 0.22 0.00 0.00 0.00 178.15 178.27 3fay h TYR 1095N 1.23 -0.79 -0.45 1.37 3.20 -0.71 -1.08 116.97 119.75 3fay h TYR 1095Ca 0.39 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.32 3fay h TYR 1095Cb 0.00 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3fay h TYR 1095CO -0.01 -0.49 0.03 0.87 -1.64 0.00 0.00 178.16 176.92 3fay h LYS 1096N -0.85 0.14 -0.83 1.82 1.57 -0.64 0.46 116.57 118.23 3fay h LYS 1096Ca -0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3fay h LYS 1096Cb 0.65 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3fay h LYS 1096CO 0.14 0.09 0.55 0.77 -0.57 0.00 0.00 179.45 180.43 3fay h SER 1097N 0.14 0.88 0.89 0.86 0.02 -0.94 -0.46 113.55 114.94 3fay h SER 1097Ca 0.22 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3fay h SER 1097Cb 0.32 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.67 3fay h SER 1097CO -0.35 0.59 -0.43 -0.25 -1.14 0.00 0.00 176.83 175.26 3fay h TRP 1098N 1.01 -1.11 -0.66 3.45 7.01 0.35 0.98 115.95 126.99 3fay h TRP 1098Ca 0.34 -0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.44 3fay h TRP 1098Cb 0.07 0.37 -0.10 0.00 -2.10 0.00 0.00 29.16 27.40 3fay h TRP 1098CO -0.00 -0.68 0.15 0.28 -2.79 0.00 0.00 178.44 175.40 3fay h VAL 1099N -1.28 0.59 -0.36 2.65 2.07 -0.68 -1.14 116.25 118.10 3fay h VAL 1099Ca -0.12 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 3fay h VAL 1099Cb 0.92 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3fay h VAL 1099CO 0.20 0.05 -0.18 0.78 0.02 0.00 0.00 177.57 178.43 3fay h ASN 1100N 0.27 0.68 0.00 0.57 2.35 -1.00 -0.65 115.58 117.79 3fay h ASN 1100Ca 0.36 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3fay h ASN 1100Cb 0.56 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3fay h ASN 1100CO -0.45 0.86 0.00 0.00 -1.65 0.00 0.00 177.43 176.20 3fay n GLN 1101N -4.14 0.11 0.00 0.81 6.02 0.33 -1.70 117.38 118.82 3fay n GLN 1101Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3fay n GLN 1101Cb 0.39 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.58 3fay n GLN 1101CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fay n GLU 1103N 0.47 0.00 0.16 -1.09 2.13 -0.25 -1.46 120.64 120.60 3fay n GLU 1103Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 3fay n GLU 1103Cb 0.03 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.97 3fay n GLU 1103CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3fay h SER 1104N 0.00 0.00 0.03 4.31 4.64 -1.60 0.38 113.55 121.30 3fay h SER 1104Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fay h SER 1104Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fay h SER 1104CO 0.00 0.47 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.81 3fay h GLN 1105N 0.00 -0.04 0.14 4.77 5.75 -1.51 -3.36 115.11 120.86 3fay h GLN 1105Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3fay h GLN 1105Cb 1.07 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3fay h GLN 1105CO 0.06 0.54 -0.07 1.15 -2.65 0.00 0.00 178.83 177.86 3fay h THR 1106N -0.64 0.76 0.00 2.39 2.02 -1.81 -3.48 112.91 112.14 3fay h THR 1106Ca -0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3fay h THR 1106Cb 0.59 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3fay h THR 1106CO 0.01 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.72 3fay n GLY 1107N 0.90 0.97 3.27 2.16 0.00 0.13 -5.08 105.19 107.54 3fay n GLY 1107Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3fay n GLY 1107CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fay s GLU 1108N -0.60 1.22 0.04 1.61 2.02 -1.22 -5.02 118.70 116.75 3fay s GLU 1108Ca 0.00 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 3fay s GLU 1108Cb 0.00 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 3fay s GLU 1108CO 0.00 0.34 1.55 0.00 0.02 0.00 0.00 175.26 177.17 3fay s ALA 1109N -1.02 3.64 0.68 5.21 0.00 -1.26 -4.48 121.76 124.54 3fay s ALA 1109Ca 0.07 1.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3fay s ALA 1109Cb -0.10 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.38 3fay s ALA 1109CO 0.03 -1.02 1.27 -1.54 0.00 0.00 0.00 175.76 174.50 3fay s SER 1110N 2.17 4.39 0.00 0.00 1.04 -1.26 -4.89 113.70 115.15 3fay s SER 1110Ca 0.70 2.56 0.29 0.00 0.48 0.00 0.00 55.95 59.98 3fay s SER 1110Cb -0.36 -2.61 1.28 0.00 0.10 0.00 0.00 66.02 64.42 3fay s SER 1110CO 0.30 -2.15 1.88 1.17 0.98 0.00 0.00 173.24 175.42 3fay n LYS 1111N -2.21 0.97 -3.09 4.02 4.81 -1.26 -4.82 118.16 116.57 3fay n LYS 1111Ca 0.15 -0.37 -0.38 0.00 -0.87 0.00 0.00 58.31 56.84 3fay n LYS 1111Cb 0.49 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.98 3fay n LYS 1111CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3fay s LEU 1112N -2.29 4.48 0.38 3.14 1.43 -1.26 -5.04 118.68 119.52 3fay s LEU 1112Ca 0.34 1.48 -0.27 0.00 -1.03 0.00 0.00 54.13 54.65 3fay s LEU 1112Cb 0.21 -3.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 3fay s LEU 1112CO 0.43 0.15 1.25 -2.16 0.23 0.00 0.00 176.35 176.25 3fay s PRO 1113N -1.48 4.14 0.21 1.29 0.04 -1.26 -4.94 135.00 133.00 3fay s PRO 1113Ca 0.37 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.51 3fay s PRO 1113Cb -0.20 -2.85 0.15 0.00 0.04 0.00 0.00 34.50 31.64 3fay s PRO 1113CO 0.23 -0.31 1.49 1.88 0.04 0.00 0.00 177.00 180.32 3fay h TYR 1114N 2.94 0.33 -3.56 0.56 -1.99 -1.96 -3.42 116.97 109.87 3fay h TYR 1114Ca -0.49 -0.14 -0.61 0.00 2.00 0.00 0.00 58.73 59.48 3fay h TYR 1114Cb 1.24 -0.05 -0.13 0.00 2.00 0.00 0.00 36.73 39.78 3fay h TYR 1114CO 0.55 0.86 -0.38 0.34 -0.00 0.00 0.00 178.16 179.53 3fay s ASP 1115N -6.91 6.24 0.01 3.88 3.68 -1.26 -4.85 116.67 117.45 3fay s ASP 1115Ca -0.04 0.26 -0.15 0.00 2.13 0.00 0.00 52.55 54.76 3fay s ASP 1115Cb 0.11 -2.16 0.02 0.00 -1.45 0.00 0.00 42.92 39.45 3fay s ASP 1115CO 0.81 -0.00 0.31 0.54 0.13 0.00 0.00 175.17 176.96 3fay s VAL 1116N 1.22 0.07 0.56 1.11 0.11 -1.26 -5.15 120.40 117.06 3fay s VAL 1116Ca 0.12 -0.56 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 3fay s VAL 1116Cb -0.14 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 3fay s VAL 1116CO 0.06 -0.31 0.92 0.42 -3.33 0.00 0.00 175.10 172.86 3fay s THR 1117N -1.89 4.76 0.18 5.04 -4.23 -1.26 -4.86 115.64 113.38 3fay s THR 1117Ca -0.10 0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 3fay s THR 1117Cb -0.03 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 70.04 3fay s THR 1117CO 0.01 -1.00 1.76 -0.65 -0.54 0.00 0.00 174.62 174.20 3fay h PRO 1118N -0.08 0.38 -0.53 3.99 0.11 -1.98 0.45 132.00 134.34 3fay h PRO 1118Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3fay h PRO 1118Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3fay h PRO 1118CO 0.62 0.25 0.22 1.05 -0.21 0.00 0.00 178.00 179.93 3fay h GLU 1119N 0.39 0.80 0.00 1.05 4.11 -1.96 0.32 114.58 119.29 3fay h GLU 1119Ca 0.24 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3fay h GLU 1119Cb 0.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fay h GLU 1119CO -0.22 0.69 0.00 -0.56 0.07 0.00 0.00 179.01 178.99 3fay h GLN 1120N 0.72 0.00 0.02 1.06 3.07 -1.81 -2.77 115.11 115.41 3fay h GLN 1120Ca 0.18 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.70 3fay h GLN 1120Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.77 3fay h GLN 1120CO -0.02 0.00 -0.87 0.00 0.09 0.00 0.00 178.83 178.03 3fay h ALA 1121N 2.12 0.07 0.00 0.06 0.00 0.52 -3.02 119.26 119.01 3fay h ALA 1121Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3fay h ALA 1121Cb 0.73 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3fay h ALA 1121CO 0.00 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3fay n LEU 1122N -4.02 0.00 0.22 0.00 4.77 0.04 -2.73 117.00 115.29 3fay n LEU 1122Ca -0.11 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 3fay n LEU 1122Cb 0.80 -0.31 0.51 0.00 -2.33 0.00 0.00 43.42 42.10 3fay n LEU 1122CO 0.52 -0.15 0.86 0.00 -1.33 0.00 0.00 177.39 177.30 3fay h ALA 1123N 2.73 1.50 -2.55 -1.18 0.00 -1.36 -3.42 119.26 114.99 3fay h ALA 1123Ca 0.00 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 3fay h ALA 1123Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3fay h ALA 1123CO 0.00 0.28 0.23 -1.01 0.00 0.00 0.00 179.25 178.76 3fay s HIS 1124N -4.39 3.59 0.34 0.00 3.76 -1.11 -4.96 115.29 112.52 3fay s HIS 1124Ca -0.03 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.32 3fay s HIS 1124Cb 0.15 -2.95 0.61 0.00 1.11 0.00 0.00 32.58 31.50 3fay s HIS 1124CO 0.68 0.01 1.99 0.93 -0.85 0.00 0.00 174.74 177.50 3fay h GLU 1125N 6.84 0.88 -0.39 1.40 4.39 -1.91 -1.78 114.58 124.01 3fay h GLU 1125Ca -0.40 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.18 3fay h GLU 1125Cb 1.20 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 3fay h GLU 1125CO 0.76 0.58 -0.06 1.05 -1.16 0.00 0.00 179.01 180.19 3fay h GLU 1126N 0.90 0.65 0.29 2.33 9.09 -1.95 -0.73 114.58 125.16 3fay h GLU 1126Ca 0.27 -0.18 -0.01 0.00 0.05 0.00 0.00 59.36 59.49 3fay h GLU 1126Cb -0.01 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.02 3fay h GLU 1126CO -0.07 0.71 -0.14 0.28 0.05 0.00 0.00 179.01 179.83 3fay h VAL 1127N 0.60 0.73 -0.57 -1.06 2.07 -1.65 -1.58 116.25 114.79 3fay h VAL 1127Ca 0.12 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.18 3fay h VAL 1127Cb 0.46 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3fay h VAL 1127CO 0.02 0.11 0.39 0.11 0.02 0.00 0.00 177.57 178.22 3fay h LYS 1128N -0.71 0.29 -0.10 1.57 1.57 -1.22 0.13 116.57 118.11 3fay h LYS 1128Ca -0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3fay h LYS 1128Cb 0.48 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3fay h LYS 1128CO 0.07 0.19 -0.27 1.15 -0.57 0.00 0.00 179.45 180.01 3fay h THR 1129N 0.30 1.40 -0.69 -0.16 2.02 -1.00 -1.54 112.91 113.24 3fay h THR 1129Ca 0.27 -1.61 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 3fay h THR 1129Cb 0.65 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 3fay h THR 1129CO -0.06 0.47 0.14 0.03 0.37 0.00 0.00 175.52 176.46 3fay h ARG 1130N -0.10 1.12 -0.18 6.66 3.08 -0.56 -1.73 114.38 122.67 3fay h ARG 1130Ca -0.01 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3fay h ARG 1130Cb 0.89 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3fay h ARG 1130CO 0.06 1.01 0.10 1.25 -1.07 0.00 0.00 179.97 181.32 3fay h LEU 1131N 1.06 0.23 -0.89 3.04 5.85 -0.74 0.36 115.31 124.21 3fay h LEU 1131Ca 0.21 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3fay h LEU 1131Cb 0.41 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3fay h LEU 1131CO 0.01 0.23 0.56 0.44 -0.34 0.00 0.00 178.44 179.34 3fay h ASP 1132N 0.20 0.88 -0.23 1.25 3.32 -1.07 0.26 116.42 121.03 3fay h ASP 1132Ca 0.06 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3fay h ASP 1132Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3fay h ASP 1132CO -0.01 0.56 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.76 3fay h SER 1133N 1.01 0.41 -0.70 6.45 0.87 -0.64 -2.63 113.55 118.32 3fay h SER 1133Ca 0.39 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3fay h SER 1133Cb 0.19 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3fay h SER 1133CO -0.18 0.65 0.31 0.28 -0.53 0.00 0.00 176.83 177.36 3fay h SER 1134N 0.17 0.96 -0.39 6.23 0.02 0.35 -2.30 113.55 118.59 3fay h SER 1134Ca 0.06 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3fay h SER 1134Cb 0.45 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3fay h SER 1134CO 0.02 0.84 0.24 0.40 -1.14 0.00 0.00 176.83 177.19 3fay h ILE 1135N 1.04 1.12 -0.65 3.27 1.08 -0.43 -2.49 117.51 120.45 3fay h ILE 1135Ca 0.25 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3fay h ILE 1135Cb 0.16 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 3fay h ILE 1135CO -0.03 0.12 0.30 0.03 -0.69 0.00 0.00 178.15 177.89 3fay h ARG 1136N 0.52 0.92 -1.42 2.37 2.47 -1.19 -2.20 114.38 115.85 3fay h ARG 1136Ca 0.14 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3fay h ARG 1136Cb -0.01 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 3fay h ARG 1136CO -0.03 0.72 0.00 0.09 0.56 0.00 0.00 179.97 181.31 3fay n ASN 1137N -4.34 0.81 0.00 7.04 3.02 -0.89 -1.58 115.26 119.32 3fay n ASN 1137Ca 0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3fay n ASN 1137Cb 0.14 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3fay n ASN 1137CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3fay n ARG 1139N 0.75 0.00 0.03 3.52 0.63 -0.83 -0.65 116.66 120.10 3fay n ARG 1139Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3fay n ARG 1139Cb 0.14 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.98 3fay n ARG 1139CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fay h ALA 1140N 0.00 0.02 -0.45 5.13 0.00 -1.57 0.17 119.26 122.56 3fay h ALA 1140Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3fay h ALA 1140Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3fay h ALA 1140CO 0.00 -0.47 0.22 0.28 0.00 0.00 0.00 179.25 179.28 3fay h VAL 1141N 0.00 0.96 -0.10 0.00 2.07 -1.16 -1.39 116.25 116.63 3fay h VAL 1141Ca 0.01 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3fay h VAL 1141Cb 0.02 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3fay h VAL 1141CO -0.00 0.08 -0.32 0.74 0.02 0.00 0.00 177.57 178.09 3fay h THR 1142N 0.44 1.26 -0.04 2.57 2.02 -1.73 -2.61 112.91 114.82 3fay h THR 1142Ca 0.20 -1.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3fay h THR 1142Cb 0.11 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3fay h THR 1142CO -0.14 0.37 -0.45 -0.78 0.37 0.00 0.00 175.52 174.89 3fay h ASP 1143N 0.17 0.10 -0.39 4.18 -0.00 0.31 -1.40 116.42 119.40 3fay h ASP 1143Ca 0.02 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.03 56.89 3fay h ASP 1143Cb 0.65 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.94 3fay h ASP 1143CO 0.05 0.54 -0.22 0.11 -0.00 0.00 0.00 179.24 179.72 3fay h LYS 1144N 0.08 0.83 -0.21 0.28 1.57 -0.91 -1.32 116.57 116.89 3fay h LYS 1144Ca 0.00 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 3fay h LYS 1144Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3fay h LYS 1144CO 0.06 1.01 -0.03 0.74 -0.57 0.00 0.00 179.45 180.66 3fay h PHE 1145N 0.64 0.43 -0.01 -1.35 -1.00 -1.38 -1.34 116.94 112.93 3fay h PHE 1145Ca 0.08 -0.09 0.03 0.00 2.81 0.00 0.00 57.97 60.80 3fay h PHE 1145Cb 0.78 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 3fay h PHE 1145CO 0.06 0.61 -0.17 1.25 -1.61 0.00 0.00 178.31 178.45 3fay h LEU 1146N 0.13 -0.50 -0.29 1.54 5.85 -1.22 -1.57 115.31 119.24 3fay h LEU 1146Ca 0.06 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3fay h LEU 1146Cb 0.46 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3fay h LEU 1146CO 0.02 -0.23 0.12 0.28 -0.34 0.00 0.00 178.44 178.29 3fay h SER 1147N -0.27 0.16 -0.63 1.25 0.02 -1.21 0.15 113.55 113.03 3fay h SER 1147Ca 0.06 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 3fay h SER 1147Cb 0.35 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3fay h SER 1147CO -0.17 0.13 0.42 0.00 -1.14 0.00 0.00 176.83 176.06 3fay h ALA 1148N 1.16 1.93 0.08 3.77 0.00 -0.95 -0.90 119.26 124.35 3fay h ALA 1148Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3fay h ALA 1148Cb 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fay h ALA 1148CO -0.11 -0.05 -0.47 0.82 0.00 0.00 0.00 179.25 179.44 3fay h ILE 1149N 0.50 1.63 -0.20 0.00 2.04 -0.47 -3.29 117.51 117.72 3fay h ILE 1149Ca 0.28 -2.44 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 3fay h ILE 1149Cb 0.46 3.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 3fay h ILE 1149CO -0.09 0.67 -0.02 0.58 0.00 0.00 0.00 178.15 179.29 3fay h VAL 1150N -0.62 1.14 -0.49 1.67 2.07 -0.43 -2.66 116.25 116.92 3fay h VAL 1150Ca -0.08 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3fay h VAL 1150Cb 1.37 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3fay h VAL 1150CO 0.09 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.33 3fay n SER 1151N -4.35 3.63 -0.90 0.57 3.41 -0.37 -4.17 113.62 111.45 3fay n SER 1151Ca -0.00 -2.31 0.05 0.00 -0.26 0.00 0.00 58.87 56.35 3fay n SER 1151Cb 0.20 -0.49 0.11 0.00 -0.26 0.00 0.00 64.21 63.78 3fay n SER 1151CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fay n SER 1152N 0.81 1.35 -0.27 4.04 7.64 -1.00 -4.82 113.62 121.37 3fay n SER 1152Ca 0.19 -2.93 0.15 0.00 1.01 0.00 0.00 58.87 57.29 3fay n SER 1152Cb 0.68 -0.40 0.43 0.00 -1.01 0.00 0.00 64.21 63.90 3fay n SER 1152CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3fay h VAL 1153N 3.75 0.74 0.00 0.44 2.07 -1.72 0.21 116.25 121.73 3fay h VAL 1153Ca -0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3fay h VAL 1153Cb 1.39 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3fay h VAL 1153CO 0.04 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.20 3fay n ASP 1154N -4.58 0.45 0.08 0.57 8.00 -1.26 -2.30 116.55 117.51 3fay n ASP 1154Ca 0.19 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.42 3fay n ASP 1154Cb 0.59 -0.70 0.23 0.00 -0.02 0.00 0.00 41.12 41.22 3fay n ASP 1154CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3fay h LYS 1155N 0.00 0.00 -6.59 -1.24 1.57 -0.96 -3.46 116.57 105.89 3fay h LYS 1155Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3fay h LYS 1155Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.69 3fay h LYS 1155CO 0.00 0.00 0.60 0.42 -0.57 0.00 0.00 179.45 179.90 3fay s ILE 1156N -3.16 3.63 0.23 1.86 1.01 -0.97 -4.71 121.20 119.08 3fay s ILE 1156Ca 0.07 1.26 -0.31 0.00 0.00 0.00 0.00 60.65 61.67 3fay s ILE 1156Cb 0.13 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.65 3fay s ILE 1156CO 0.69 0.15 1.30 -2.65 0.00 0.00 0.00 174.94 174.43 3fay n PRO 1157N 3.22 1.75 -0.22 2.79 -0.02 -1.26 -4.76 135.00 136.50 3fay n PRO 1157Ca 0.07 0.62 0.02 0.00 -2.02 0.00 0.00 63.50 62.19 3fay n PRO 1157Cb 0.45 -2.21 0.12 0.00 -0.02 0.00 0.00 33.50 31.84 3fay n PRO 1157CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3fay h TYR 1158N 3.70 -0.01 0.00 6.00 3.20 -1.93 -1.62 116.97 126.30 3fay h TYR 1158Ca -0.44 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3fay h TYR 1158Cb 1.30 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.68 3fay h TYR 1158CO 0.55 -0.17 0.00 0.41 -1.64 0.00 0.00 178.16 177.31 3fay n GLY 1159N -1.37 0.00 0.00 1.82 0.00 -1.26 0.94 105.19 105.32 3fay n GLY 1159Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fay n GLY 1159CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fay n ARG 1161N 0.42 0.00 -0.21 1.61 1.74 -0.61 -2.50 116.66 117.11 3fay n ARG 1161Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3fay n ARG 1161Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 3fay n ARG 1161CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3fay h PHE 1162N 0.00 0.66 -0.24 -1.55 3.57 0.32 -0.71 116.94 118.99 3fay h PHE 1162Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3fay h PHE 1162Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3fay h PHE 1162CO 0.00 0.36 -0.17 0.82 -2.23 0.00 0.00 178.31 177.08 3fay h ILE 1163N 0.69 1.23 -0.51 1.41 1.08 -1.70 -0.39 117.51 119.32 3fay h ILE 1163Ca 0.26 -1.05 -0.10 0.00 -0.39 0.00 0.00 64.86 63.58 3fay h ILE 1163Cb 0.08 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3fay h ILE 1163CO -0.13 0.34 -0.07 0.00 -0.69 0.00 0.00 178.15 177.60 3fay h ALA 1164N 1.45 0.92 -0.49 1.87 0.00 -1.64 0.24 119.26 121.62 3fay h ALA 1164Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3fay h ALA 1164Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3fay h ALA 1164CO 0.03 0.63 0.25 -0.22 0.00 0.00 0.00 179.25 179.95 3fay h LYS 1165N 0.82 0.69 -0.25 0.00 3.64 -0.32 -0.69 116.57 120.46 3fay h LYS 1165Ca 0.14 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3fay h LYS 1165Cb 0.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3fay h LYS 1165CO 0.04 0.56 0.09 0.28 -2.27 0.00 0.00 179.45 178.15 3fay h VAL 1166N 0.64 1.18 -0.10 2.00 2.07 -0.62 -1.95 116.25 119.47 3fay h VAL 1166Ca 0.17 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3fay h VAL 1166Cb 0.09 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3fay h VAL 1166CO -0.02 0.18 -0.09 0.25 0.02 0.00 0.00 177.57 177.91 3fay h LEU 1167N 0.24 -0.27 -0.60 2.57 5.85 -0.27 0.11 115.31 122.94 3fay h LEU 1167Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3fay h LEU 1167Cb 0.20 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3fay h LEU 1167CO -0.01 -0.12 0.39 0.50 -0.34 0.00 0.00 178.44 178.86 3fay h LYS 1168N -0.10 0.79 -0.50 1.25 3.64 -1.09 -0.08 116.57 120.48 3fay h LYS 1168Ca 0.07 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3fay h LYS 1168Cb 0.20 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3fay h LYS 1168CO -0.16 0.54 0.14 -0.44 -2.27 0.00 0.00 179.45 177.25 3fay h ASP 1169N 0.81 0.75 -0.48 4.20 3.32 -0.91 -1.45 116.42 122.66 3fay h ASP 1169Ca 0.22 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3fay h ASP 1169Cb -0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3fay h ASP 1169CO -0.05 0.78 -0.08 0.28 -1.72 0.00 0.00 179.24 178.45 3fay h SER 1170N 0.69 0.90 -0.40 6.45 0.02 -0.54 -2.53 113.55 118.13 3fay h SER 1170Ca 0.16 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3fay h SER 1170Cb 0.31 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3fay h SER 1170CO -0.00 1.03 0.08 -0.07 -1.14 0.00 0.00 176.83 176.73 3fay h LEU 1171N 0.74 0.62 -2.14 5.07 3.38 -0.95 -2.03 115.31 120.02 3fay h LEU 1171Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3fay h LEU 1171Cb 0.62 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fay h LEU 1171CO 0.04 0.71 -0.05 -0.74 0.09 0.00 0.00 178.44 178.48 3fay h HIS 1172N 0.51 0.00 0.00 1.13 2.76 -1.22 0.24 115.15 118.57 3fay h HIS 1172Ca 0.12 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 3fay h HIS 1172Cb 0.34 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3fay h HIS 1172CO 0.02 0.05 -0.68 1.49 -1.30 0.00 0.00 177.93 177.51 3fay h GLU 1173N 0.00 0.00 0.00 5.26 4.81 -0.97 -3.16 114.58 120.53 3fay h GLU 1173Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3fay h GLU 1173Cb 0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3fay h GLU 1173CO 0.01 0.44 -1.92 1.17 -0.73 0.00 0.00 179.01 177.98 3fay n LYS 1174N -3.15 0.66 -3.48 1.92 4.81 -0.69 -4.63 118.16 113.61 3fay n LYS 1174Ca -0.00 0.01 -0.27 0.00 -0.87 0.00 0.00 58.31 57.18 3fay n LYS 1174Cb 0.75 -1.62 -0.09 0.00 0.02 0.00 0.00 35.03 34.09 3fay n LYS 1174CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3fay n PHE 1175N -2.64 1.74 0.27 5.64 3.01 0.76 -4.93 117.46 121.33 3fay n PHE 1175Ca -0.16 -3.90 0.12 0.00 1.01 0.00 0.00 57.45 54.53 3fay n PHE 1175Cb 0.85 -0.37 0.78 0.00 -0.01 0.00 0.00 39.48 40.73 3fay n PHE 1175CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fay h PRO 1176N 4.69 0.00 0.00 -1.08 0.11 -1.78 -1.31 132.00 132.63 3fay h PRO 1176Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3fay h PRO 1176Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3fay h PRO 1176CO 0.63 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3fay n ASP 1177N -3.89 0.37 -4.72 -2.05 5.75 -1.26 -4.82 116.55 105.93 3fay n ASP 1177Ca -0.03 0.54 -0.42 0.00 -0.01 0.00 0.00 54.79 54.88 3fay n ASP 1177Cb 0.16 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 3fay n ASP 1177CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fay s ALA 1178N -3.06 3.48 0.46 2.12 0.00 -0.50 -5.00 121.76 119.26 3fay s ALA 1178Ca 0.11 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 3fay s ALA 1178Cb 0.15 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 3fay s ALA 1178CO 0.53 -0.49 1.07 0.20 0.00 0.00 0.00 175.76 177.07 3fay s GLY 1179N 0.80 2.64 0.58 0.00 0.00 -1.26 -4.90 107.32 105.18 3fay s GLY 1179Ca 0.59 0.71 0.29 0.00 0.00 0.00 0.00 44.72 46.32 3fay s GLY 1179CO 0.32 1.09 1.86 -2.09 0.00 0.00 0.00 173.10 174.29 3fay h GLU 1180N 1.92 0.00 0.00 2.90 4.57 -1.97 -0.72 114.58 121.28 3fay h GLU 1180Ca -0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 3fay h GLU 1180Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3fay h GLU 1180CO 0.60 0.00 -0.12 0.22 -1.18 0.00 0.00 179.01 178.53 3fay h ASP 1181N 0.00 0.10 0.09 1.04 3.58 -1.99 -2.32 116.42 116.92 3fay h ASP 1181Ca 0.28 -0.82 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 3fay h ASP 1181Cb 1.40 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 3fay h ASP 1181CO -0.00 0.90 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.14 3fay h GLU 1182N -0.69 0.00 0.20 0.28 4.81 -1.54 -1.03 114.58 116.60 3fay h GLU 1182Ca -0.02 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.89 3fay h GLU 1182Cb 0.93 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.32 3fay h GLU 1182CO 0.02 0.04 -1.50 -0.07 -0.73 0.00 0.00 179.01 176.78 3fay h LEU 1183N 0.00 0.65 -1.00 1.64 3.38 -1.35 -3.06 115.31 115.57 3fay h LEU 1183Ca -0.00 -0.77 -0.10 0.00 0.09 0.00 0.00 57.88 57.10 3fay h LEU 1183Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fay h LEU 1183CO 0.01 1.62 -0.39 -0.07 0.09 0.00 0.00 178.44 179.69 3fay h LEU 1184N 0.11 0.22 -0.96 1.67 3.38 -0.88 -1.36 115.31 117.49 3fay h LEU 1184Ca -0.25 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3fay h LEU 1184Cb 2.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 3fay h LEU 1184CO 0.23 0.60 -0.14 0.11 0.09 0.00 0.00 178.44 179.33 3fay h LYS 1185N 0.18 0.61 -0.53 1.13 1.57 -1.27 -0.48 116.57 117.77 3fay h LYS 1185Ca 0.02 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3fay h LYS 1185Cb 0.78 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3fay h LYS 1185CO 0.06 0.72 0.06 0.82 -0.57 0.00 0.00 179.45 180.55 3fay h ILE 1186N 0.55 1.26 -0.37 1.86 1.08 -1.27 -1.77 117.51 118.85 3fay h ILE 1186Ca 0.10 -0.99 -0.04 0.00 -0.39 0.00 0.00 64.86 63.53 3fay h ILE 1186Cb 0.56 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3fay h ILE 1186CO 0.04 0.36 0.06 0.40 -0.69 0.00 0.00 178.15 178.31 3fay h ILE 1187N 0.78 1.18 -0.14 -0.67 5.03 -0.70 -1.48 117.51 121.51 3fay h ILE 1187Ca 0.16 -0.68 -0.07 0.00 -0.12 0.00 0.00 64.86 64.15 3fay h ILE 1187Cb 0.44 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 35.06 3fay h ILE 1187CO 0.01 0.24 -0.22 1.23 -0.68 0.00 0.00 178.15 178.73 3fay h GLY 1188N 0.80 0.25 0.99 5.37 0.00 -0.56 -0.49 103.07 109.43 3fay h GLY 1188Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3fay h GLY 1188CO 0.00 0.17 0.65 -0.57 0.00 0.00 0.00 176.54 176.79 3fay h ASN 1189N 0.22 1.12 0.30 0.19 -1.24 -0.42 0.20 115.58 115.95 3fay h ASN 1189Ca 0.04 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3fay h ASN 1189Cb 0.52 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3fay h ASN 1189CO 0.04 0.79 -0.15 0.25 -1.29 0.00 0.00 177.43 177.07 3fay h LEU 1190N 1.31 -0.34 0.24 0.34 5.85 -1.29 0.36 115.31 121.78 3fay h LEU 1190Ca 0.37 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3fay h LEU 1190Cb -0.10 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3fay h LEU 1190CO -0.09 0.13 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.95 3fay h LEU 1191N -1.05 -0.28 0.00 2.25 3.38 -1.04 -1.93 115.31 116.64 3fay h LEU 1191Ca -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3fay h LEU 1191Cb 0.42 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3fay h LEU 1191CO 0.07 -0.02 -0.17 0.22 0.09 0.00 0.00 178.44 178.63 3fay h TYR 1192N -0.54 0.00 0.28 1.13 3.20 -0.82 -3.35 116.97 116.87 3fay h TYR 1192Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3fay h TYR 1192Cb 0.40 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3fay h TYR 1192CO -0.00 0.00 -0.37 -0.92 -1.64 0.00 0.00 178.16 175.23 3fay h TYR 1193N -0.37 -1.02 -0.14 -3.82 3.20 -1.41 -0.95 116.97 112.46 3fay h TYR 1193Ca 0.00 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 3fay h TYR 1193Cb 0.17 0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3fay h TYR 1193CO -0.07 -0.50 -0.40 0.00 -1.64 0.00 0.00 178.16 175.54 3fay h ARG 1194N -0.71 0.53 0.00 1.82 3.08 -0.35 -3.24 114.38 115.50 3fay h ARG 1194Ca -0.01 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3fay h ARG 1194Cb 0.67 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3fay h ARG 1194CO -0.12 0.99 0.00 0.98 -1.07 0.00 0.00 179.97 180.75 3fay n TYR 1195N -4.29 0.00 0.00 3.04 9.36 -0.73 -4.63 117.16 119.91 3fay n TYR 1195Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 3fay n TYR 1195Cb 0.54 -0.32 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 3fay n TYR 1195CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3fay n ASN 1197N -1.32 0.00 -0.19 2.98 5.15 -0.36 -4.60 115.26 116.92 3fay n ASN 1197Ca 0.13 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.20 3fay n ASN 1197Cb 0.25 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 39.89 3fay n ASN 1197CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3fay h PRO 1198N 0.00 0.66 -0.13 1.20 0.11 -1.82 -0.73 132.00 131.28 3fay h PRO 1198Ca 0.00 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.93 3fay h PRO 1198Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3fay h PRO 1198CO 0.00 0.43 -0.54 0.00 -0.21 0.00 0.00 178.00 177.69 3fay h ALA 1199N 1.62 0.83 -0.15 -0.75 0.00 -1.85 0.36 119.26 119.32 3fay h ALA 1199Ca 0.34 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3fay h ALA 1199Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fay h ALA 1199CO -0.12 0.69 -0.62 0.82 0.00 0.00 0.00 179.25 180.01 3fay h ILE 1200N 0.29 1.34 -0.21 0.00 2.04 -1.70 0.43 117.51 119.70 3fay h ILE 1200Ca 0.01 -1.92 -0.14 0.00 1.00 0.00 0.00 64.86 63.81 3fay h ILE 1200Cb 1.04 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3fay h ILE 1200CO 0.09 0.59 -0.46 0.58 0.00 0.00 0.00 178.15 178.95 3fay h VAL 1201N 0.39 1.31 -2.04 1.67 2.07 -0.95 -3.37 116.25 115.33 3fay h VAL 1201Ca -0.01 -1.66 -0.53 0.00 0.82 0.00 0.00 66.70 65.32 3fay h VAL 1201Cb 1.18 1.65 -0.40 0.00 -1.52 0.00 0.00 31.29 32.20 3fay h VAL 1201CO 0.11 0.52 -1.07 0.00 0.02 0.00 0.00 177.57 177.15 3fay n ALA 1202N -2.50 2.57 -0.33 1.67 0.00 0.10 -4.80 120.51 117.20 3fay n ALA 1202Ca -0.02 -3.61 0.20 0.00 0.00 0.00 0.00 53.44 50.01 3fay n ALA 1202Cb 0.55 -0.86 0.46 0.00 0.00 0.00 0.00 19.45 19.59 3fay n ALA 1202CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fay h PRO 1203N 3.53 0.46 -0.01 0.00 0.13 -1.07 -1.99 132.00 133.05 3fay h PRO 1203Ca 0.10 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3fay h PRO 1203Cb 0.87 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3fay h PRO 1203CO 0.54 0.31 -0.01 0.22 -0.23 0.00 0.00 178.00 178.82 3fay h ASP 1204N 0.48 0.02 -0.26 1.44 1.82 -1.85 0.20 116.42 118.26 3fay h ASP 1204Ca 0.62 -0.53 0.08 0.00 -0.39 0.00 0.00 57.03 56.80 3fay h ASP 1204Cb 1.39 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.38 3fay h ASP 1204CO -0.37 0.55 0.23 0.00 -1.61 0.00 0.00 179.24 178.04 3fay h ALA 1205N 0.47 2.04 -0.47 -0.78 0.00 -1.74 -0.63 119.26 118.16 3fay h ALA 1205Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fay h ALA 1205Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fay h ALA 1205CO 0.00 -0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.08 3fay n PHE 1206N -4.08 1.60 -3.90 0.00 3.01 -0.81 -4.97 117.46 108.31 3fay n PHE 1206Ca 0.03 -0.76 -0.31 0.00 1.01 0.00 0.00 57.45 57.42 3fay n PHE 1206Cb 0.38 -0.41 0.01 0.00 -0.01 0.00 0.00 39.48 39.45 3fay n PHE 1206CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fay n ASP 1207N 0.29 -4.34 0.06 4.37 8.00 -0.24 -4.86 116.55 119.83 3fay n ASP 1207Ca 0.25 -0.77 -0.16 0.00 0.71 0.00 0.00 54.79 54.81 3fay n ASP 1207Cb 1.05 -3.50 -0.14 0.00 -0.02 0.00 0.00 41.12 38.51 3fay n ASP 1207CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3fay h ILE 1208N -1.76 1.17 -3.41 0.53 1.08 -0.85 -3.44 117.51 110.82 3fay h ILE 1208Ca -0.56 -2.81 -0.40 0.00 -0.39 0.00 0.00 64.86 60.70 3fay h ILE 1208Cb 1.37 2.75 -0.17 0.00 -3.07 0.00 0.00 36.82 37.70 3fay h ILE 1208CO 0.68 0.81 -0.74 0.27 -0.69 0.00 0.00 178.15 178.48 3fay s ILE 1209N -2.62 1.36 -0.33 -0.67 -4.36 -1.20 -4.60 121.20 108.78 3fay s ILE 1209Ca -0.09 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.41 3fay s ILE 1209Cb 0.07 -1.70 0.08 0.00 1.25 0.00 0.00 42.46 42.16 3fay s ILE 1209CO 0.85 -0.53 0.05 -1.81 0.24 0.00 0.00 174.94 173.73 3fay s ASP 1210N -2.79 4.89 0.45 4.36 1.01 -1.26 -4.57 116.67 118.77 3fay s ASP 1210Ca 0.13 -1.68 -0.05 0.00 0.71 0.00 0.00 52.55 51.67 3fay s ASP 1210Cb -0.02 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 3fay s ASP 1210CO 0.03 -0.35 0.74 -0.76 0.21 0.00 0.00 175.17 175.04 3fay s LEU 1211N 1.13 3.72 0.85 1.23 1.43 -1.26 -5.04 118.68 120.73 3fay s LEU 1211Ca 0.01 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 3fay s LEU 1211Cb -0.20 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3fay s LEU 1211CO -0.04 -0.51 0.22 -1.54 0.23 0.00 0.00 176.35 174.71 3fay n SER 1212N -2.08 -2.50 -0.44 2.29 3.41 -1.26 -4.75 113.62 108.29 3fay n SER 1212Ca -0.00 0.42 0.41 0.00 -0.26 0.00 0.00 58.87 59.44 3fay n SER 1212Cb 0.55 -1.12 0.78 0.00 -0.26 0.00 0.00 64.21 64.16 3fay n SER 1212CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fay h ALA 1213N -0.94 3.37 0.00 7.33 0.00 -2.07 -0.61 119.26 126.34 3fay h ALA 1213Ca -0.44 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3fay h ALA 1213Cb 1.32 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.05 3fay h ALA 1213CO 0.36 -1.78 -0.72 0.41 0.00 0.00 0.00 179.25 177.53 3fay n GLY 1214N -1.82 3.37 3.93 0.00 0.00 -1.26 -5.08 105.19 104.33 3fay n GLY 1214Ca 0.32 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 3fay n GLY 1214CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fay s GLY 1215N -2.69 1.43 0.14 -0.02 0.00 -0.24 -5.12 107.32 100.81 3fay s GLY 1215Ca 0.36 -1.38 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 3fay s GLY 1215CO -0.11 -1.37 0.38 -0.86 0.00 0.00 0.00 173.10 171.14 3fay s GLN 1216N -4.01 1.11 0.54 2.90 -2.07 -1.26 -4.76 119.66 112.11 3fay s GLN 1216Ca 0.38 -0.83 -0.21 0.00 -1.82 0.00 0.00 55.36 52.88 3fay s GLN 1216Cb -0.09 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.23 3fay s GLN 1216CO 0.29 -0.43 1.21 -0.51 -1.32 0.00 0.00 175.29 174.53 3fay s LEU 1217N -2.85 3.81 0.61 2.60 1.02 -1.26 -5.02 118.68 117.60 3fay s LEU 1217Ca 0.06 2.41 -0.11 0.00 0.02 0.00 0.00 54.13 56.51 3fay s LEU 1217Cb 0.02 -4.44 -0.04 0.00 0.02 0.00 0.00 46.19 41.75 3fay s LEU 1217CO -0.09 -1.35 1.01 0.42 0.02 0.00 0.00 176.35 176.37 3fay s THR 1218N -1.55 4.72 0.44 5.49 -4.23 -1.26 -4.86 115.64 114.39 3fay s THR 1218Ca 0.72 0.84 0.11 0.00 -1.18 0.00 0.00 61.69 62.18 3fay s THR 1218Cb -0.31 -3.87 0.23 0.00 1.34 0.00 0.00 72.50 69.89 3fay s THR 1218CO 0.35 -1.13 2.04 0.71 -0.54 0.00 0.00 174.62 176.06 3fay h THR 1219N -0.28 1.09 -0.09 3.99 1.35 -1.99 -0.62 112.91 116.37 3fay h THR 1219Ca -0.44 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 3fay h THR 1219Cb 1.19 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3fay h THR 1219CO 0.62 0.11 0.01 0.44 -0.25 0.00 0.00 175.52 176.45 3fay h ASP 1220N 0.24 0.15 -0.35 5.36 3.45 -1.99 -0.26 116.42 123.02 3fay h ASP 1220Ca 0.06 -0.28 0.02 0.00 0.43 0.00 0.00 57.03 57.26 3fay h ASP 1220Cb 0.11 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 3fay h ASP 1220CO -0.00 0.39 0.20 1.56 -1.57 0.00 0.00 179.24 179.82 3fay h GLN 1221N -0.09 0.40 -0.27 3.56 4.20 -1.75 0.35 115.11 121.50 3fay h GLN 1221Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3fay h GLN 1221Cb 0.30 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3fay h GLN 1221CO 0.00 0.26 0.13 -0.09 -0.67 0.00 0.00 178.83 178.47 3fay h ARG 1222N 0.41 0.39 -0.29 1.46 2.43 -1.08 -1.34 114.38 116.35 3fay h ARG 1222Ca 0.14 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3fay h ARG 1222Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3fay h ARG 1222CO -0.07 0.38 0.11 -0.09 -1.51 0.00 0.00 179.97 178.79 3fay h ARG 1223N 0.30 0.24 -0.32 0.20 2.43 -0.74 0.83 114.38 117.32 3fay h ARG 1223Ca 0.09 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3fay h ARG 1223Cb 0.12 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3fay h ARG 1223CO -0.01 0.16 0.13 -0.91 -1.51 0.00 0.00 179.97 177.83 3fay h ASN 1224N 0.25 0.16 -0.23 -3.80 -0.26 -0.71 -0.92 115.58 110.07 3fay h ASN 1224Ca 0.13 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.82 3fay h ASN 1224Cb 0.08 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3fay h ASN 1224CO -0.12 0.13 -0.08 -0.07 -1.06 0.00 0.00 177.43 176.23 3fay h LEU 1225N 0.28 0.58 -0.54 1.61 3.38 -0.97 -1.39 115.31 118.25 3fay h LEU 1225Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fay h LEU 1225Cb 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3fay h LEU 1225CO -0.13 0.70 0.34 1.23 0.09 0.00 0.00 178.44 180.67 3fay h GLY 1226N 0.94 0.78 1.02 0.83 0.00 -0.14 0.18 103.07 106.68 3fay h GLY 1226Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3fay h GLY 1226CO 0.03 0.31 -0.14 1.76 0.00 0.00 0.00 176.54 178.50 3fay h SER 1227N 0.73 0.87 -0.40 0.19 0.02 -0.77 -1.64 113.55 112.55 3fay h SER 1227Ca 0.20 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3fay h SER 1227Cb -0.04 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3fay h SER 1227CO -0.04 1.05 0.11 0.40 -1.14 0.00 0.00 176.83 177.20 3fay h ILE 1228N 0.68 1.22 -0.93 3.27 2.04 -1.06 -2.51 117.51 120.22 3fay h ILE 1228Ca 0.11 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3fay h ILE 1228Cb 0.68 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3fay h ILE 1228CO 0.05 0.27 0.60 0.00 0.00 0.00 0.00 178.15 179.06 3fay h ALA 1229N 0.95 1.26 0.00 1.87 0.00 -0.85 -0.90 119.26 121.59 3fay h ALA 1229Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fay h ALA 1229Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fay h ALA 1229CO -0.00 0.42 0.00 1.17 0.00 0.00 0.00 179.25 180.84 3fay n LYS 1230N -4.53 0.05 0.00 0.00 4.81 -0.63 -0.74 118.16 117.12 3fay n LYS 1230Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3fay n LYS 1230Cb 0.13 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.95 3fay n LYS 1230CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3fay n LEU 1232N 0.71 0.00 -0.13 3.14 4.77 -0.34 -1.44 117.00 123.71 3fay n LEU 1232Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3fay n LEU 1232Cb 0.02 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3fay n LEU 1232CO 0.00 0.00 1.00 -0.61 -1.33 0.00 0.00 177.39 176.45 3fay h GLN 1233N 0.00 0.43 -0.64 3.23 4.15 -1.19 0.97 115.11 122.07 3fay h GLN 1233Ca 0.00 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3fay h GLN 1233Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3fay h GLN 1233CO 0.00 0.29 0.13 0.45 -1.93 0.00 0.00 178.83 177.77 3fay h HIS 1234N 0.45 1.09 -0.34 3.99 3.86 -1.51 -2.86 115.15 119.83 3fay h HIS 1234Ca 0.18 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3fay h HIS 1234Cb 0.06 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3fay h HIS 1234CO -0.09 0.92 0.10 0.00 0.86 0.00 0.00 177.93 179.71 3fay h ALA 1235N 1.04 0.44 0.00 2.45 0.00 -1.71 0.89 119.26 122.38 3fay h ALA 1235Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fay h ALA 1235Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fay h ALA 1235CO 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 3fay h ALA 1236N 0.94 1.51 -0.23 0.00 0.00 -0.65 -2.48 119.26 118.34 3fay h ALA 1236Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fay h ALA 1236Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fay h ALA 1236CO -0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 3fay n SER 1237N -3.88 2.61 -3.86 0.00 3.41 -1.09 -4.83 113.62 105.97 3fay n SER 1237Ca -0.03 -2.00 -0.26 0.00 -0.26 0.00 0.00 58.87 56.32 3fay n SER 1237Cb 0.13 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3fay n SER 1237CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3fay n ASN 1238N 0.17 -2.39 -5.02 4.04 5.15 -0.33 -5.07 115.26 111.81 3fay n ASN 1238Ca 0.08 -0.86 -0.20 0.00 -0.60 0.00 0.00 54.58 53.00 3fay n ASN 1238Cb 0.37 -3.71 0.05 0.00 -0.53 0.00 0.00 39.78 35.96 3fay n ASN 1238CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3fay s LYS 1239N -6.38 2.32 -0.14 1.20 2.20 0.16 -5.03 119.74 114.07 3fay s LYS 1239Ca 0.28 -1.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.22 3fay s LYS 1239Cb -0.14 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 3fay s LYS 1239CO 0.84 -0.81 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.81 3fay s PHE 1241N -2.67 2.78 0.00 4.03 0.40 -1.26 -4.62 117.98 116.63 3fay s PHE 1241Ca 0.58 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 3fay s PHE 1241Cb -0.05 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.63 3fay s PHE 1241CO 0.37 -0.32 0.00 1.28 0.70 0.00 0.00 175.22 177.25 3fay n LEU 1242N 3.71 0.00 0.00 -0.37 4.77 -1.26 -4.97 117.00 118.88 3fay n LEU 1242Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3fay n LEU 1242Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3fay n LEU 1242CO 0.30 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3fay n GLY 1243N 5.00 -1.95 2.53 -0.72 0.00 -1.26 -4.34 105.19 104.46 3fay n GLY 1243Ca 0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3fay n GLY 1243CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fay n ASP 1244N 0.64 7.77 -3.26 1.61 2.03 -1.26 -4.73 116.55 119.35 3fay n ASP 1244Ca 0.00 -3.31 -0.26 0.00 0.52 0.00 0.00 54.79 51.74 3fay n ASP 1244Cb 0.00 -1.29 -0.07 0.00 -0.72 0.00 0.00 41.12 39.04 3fay n ASP 1244CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3fay n ASN 1245N 1.13 3.33 0.24 1.67 3.02 -1.26 -4.89 115.26 118.50 3fay n ASN 1245Ca 0.57 -3.39 0.16 0.00 -0.03 0.00 0.00 54.58 51.90 3fay n ASN 1245Cb 0.27 -0.64 0.73 0.00 -0.61 0.00 0.00 39.78 39.52 3fay n ASN 1245CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fay h ALA 1246N 3.80 1.00 0.00 5.41 0.00 -1.95 -2.18 119.26 125.34 3fay h ALA 1246Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fay h ALA 1246Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fay h ALA 1246CO 0.77 0.00 0.00 1.12 0.00 0.00 0.00 179.25 181.14 3fay h HIS 1247N 0.00 0.00 -0.22 0.00 2.07 -1.99 -2.30 115.15 112.70 3fay h HIS 1247Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3fay h HIS 1247Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3fay h HIS 1247CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3fay n LEU 1248N -2.66 1.97 0.25 6.12 4.32 -0.82 -4.32 117.00 121.86 3fay n LEU 1248Ca 0.01 -0.85 0.10 0.00 -0.02 0.00 0.00 56.01 55.25 3fay n LEU 1248Cb 0.23 -0.14 0.67 0.00 -1.62 0.00 0.00 43.42 42.56 3fay n LEU 1248CO 0.22 0.42 1.08 0.77 -1.22 0.00 0.00 177.39 178.67 3fay h SER 1249N 2.55 0.00 -0.51 -1.43 4.64 -1.58 0.17 113.55 117.38 3fay h SER 1249Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3fay h SER 1249Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3fay h SER 1249CO 0.00 0.00 0.11 0.40 -0.87 0.00 0.00 176.83 176.47 3fay h ILE 1250N 0.00 1.24 -0.44 0.95 5.03 -1.84 -1.15 117.51 121.31 3fay h ILE 1250Ca 0.02 -0.88 -0.04 0.00 -0.12 0.00 0.00 64.86 63.84 3fay h ILE 1250Cb 0.06 0.83 -0.02 0.00 -3.03 0.00 0.00 36.82 34.67 3fay h ILE 1250CO -0.00 0.32 0.13 0.40 -0.68 0.00 0.00 178.15 178.32 3fay h ILE 1251N 0.72 1.22 -0.89 -0.67 1.08 -1.34 -1.91 117.51 115.72 3fay h ILE 1251Ca 0.16 -0.74 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3fay h ILE 1251Cb 0.35 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 3fay h ILE 1251CO 0.00 0.27 0.48 0.78 -0.69 0.00 0.00 178.15 178.99 3fay h ASN 1252N 0.57 1.13 -0.76 1.72 2.35 -0.84 0.68 115.58 120.43 3fay h ASN 1252Ca 0.14 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3fay h ASN 1252Cb 0.27 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3fay h ASN 1252CO -0.00 0.91 0.37 -0.33 -1.65 0.00 0.00 177.43 176.73 3fay h GLU 1253N 1.26 1.11 -0.47 0.81 5.08 -1.03 -1.45 114.58 119.89 3fay h GLU 1253Ca 0.31 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3fay h GLU 1253Cb 0.05 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3fay h GLU 1253CO -0.05 0.86 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.80 3fay h TYR 1254N 1.10 0.94 -0.44 4.33 3.20 -0.51 -2.59 116.97 123.00 3fay h TYR 1254Ca 0.27 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3fay h TYR 1254Cb 0.11 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3fay h TYR 1254CO 0.01 0.91 0.13 -0.07 -1.64 0.00 0.00 178.16 177.50 3fay h LEU 1255N 0.77 0.64 -0.70 2.82 3.38 -0.14 0.12 115.31 122.20 3fay h LEU 1255Ca 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fay h LEU 1255Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3fay h LEU 1255CO 0.04 0.69 0.42 0.28 0.09 0.00 0.00 178.44 179.96 3fay h SER 1256N 0.57 0.85 -0.32 -0.43 0.02 -1.20 0.11 113.55 113.15 3fay h SER 1256Ca 0.14 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3fay h SER 1256Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3fay h SER 1256CO -0.00 0.66 -0.03 1.56 -1.14 0.00 0.00 176.83 177.89 3fay h GLN 1257N 0.96 0.58 -0.69 3.45 4.20 -1.28 -3.07 115.11 119.26 3fay h GLN 1257Ca 0.25 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fay h GLN 1257Cb -0.02 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3fay h GLN 1257CO -0.05 0.73 0.42 0.77 -0.67 0.00 0.00 178.83 180.03 3fay h SER 1258N 0.37 0.81 -0.84 1.46 0.02 -0.27 -1.94 113.55 113.16 3fay h SER 1258Ca 0.09 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3fay h SER 1258Cb 0.49 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 3fay h SER 1258CO 0.02 0.62 0.55 0.22 -1.14 0.00 0.00 176.83 177.10 3fay h TYR 1259N 0.94 0.93 -0.61 3.45 3.20 -0.70 -0.91 116.97 123.27 3fay h TYR 1259Ca 0.25 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 3fay h TYR 1259Cb -0.04 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 37.86 3fay h TYR 1259CO 0.00 0.48 0.31 1.96 -1.64 0.00 0.00 178.16 179.28 3fay h GLN 1260N 0.91 0.56 -0.00 1.82 1.08 -1.35 0.25 115.11 118.38 3fay h GLN 1260Ca 0.37 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3fay h GLN 1260Cb 0.25 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3fay h GLN 1260CO -0.14 0.37 0.00 0.87 -0.95 0.00 0.00 178.83 178.99 3fay h LYS 1261N 0.58 0.01 -0.93 1.46 1.57 -1.24 -2.75 116.57 115.27 3fay h LYS 1261Ca 0.28 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 3fay h LYS 1261Cb 0.21 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 3fay h LYS 1261CO -0.20 0.26 0.60 0.74 -0.57 0.00 0.00 179.45 180.28 3fay h PHE 1262N -0.25 1.06 -0.24 -1.35 0.05 -0.65 -1.72 116.94 113.85 3fay h PHE 1262Ca 0.00 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 3fay h PHE 1262Cb 0.25 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.85 3fay h PHE 1262CO 0.01 0.52 0.14 -0.09 -0.18 0.00 0.00 178.31 178.71 3fay h ARG 1263N 1.01 0.32 -0.49 1.51 2.43 -0.39 -0.11 114.38 118.66 3fay h ARG 1263Ca 0.42 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3fay h ARG 1263Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3fay h ARG 1263CO -0.18 0.26 0.09 0.00 -1.51 0.00 0.00 179.97 178.64 3fay h ARG 1264N 0.29 0.76 0.00 0.20 3.08 -1.15 -2.02 114.38 115.55 3fay h ARG 1264Ca 0.09 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fay h ARG 1264Cb 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3fay h ARG 1264CO -0.02 0.71 -0.00 0.35 -1.07 0.00 0.00 179.97 179.94 3fay h PHE 1265N 0.73 -0.00 -0.92 3.04 3.57 -0.87 0.82 116.94 123.30 3fay h PHE 1265Ca 0.16 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3fay h PHE 1265Cb 0.31 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 3fay h PHE 1265CO 0.02 0.13 0.60 0.74 -2.23 0.00 0.00 178.31 177.56 3fay h PHE 1266N -0.13 1.08 0.02 0.41 0.05 -0.81 0.71 116.94 118.27 3fay h PHE 1266Ca -0.00 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 3fay h PHE 1266Cb 0.13 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.73 3fay h PHE 1266CO -0.03 0.57 -0.01 0.37 -0.18 0.00 0.00 178.31 179.03 3fay h GLN 1267N 1.07 -0.03 -0.74 1.51 4.15 -0.99 -3.10 115.11 116.98 3fay h GLN 1267Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 3fay h GLN 1267Cb 0.16 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 3fay h GLN 1267CO -0.14 0.24 0.40 1.15 -1.93 0.00 0.00 178.83 178.55 3fay h THR 1268N -0.30 1.22 -0.43 2.39 2.02 -0.32 -2.50 112.91 114.99 3fay h THR 1268Ca -0.00 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.68 3fay h THR 1268Cb 0.29 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3fay h THR 1268CO 0.01 0.25 0.29 0.00 0.37 0.00 0.00 175.52 176.43 3fay h ALA 1269N 1.41 1.93 0.00 6.16 0.00 -0.81 -1.46 119.26 126.49 3fay h ALA 1269Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fay h ALA 1269Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fay h ALA 1269CO -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 3fay s ASP 1271N -5.39 6.51 0.05 0.00 3.68 -0.55 -4.59 116.67 116.39 3fay s ASP 1271Ca 0.08 -2.19 0.02 0.00 2.13 0.00 0.00 52.55 52.59 3fay s ASP 1271Cb 0.09 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.95 3fay s ASP 1271CO 0.62 -1.51 -0.07 -0.69 0.13 0.00 0.00 175.17 173.65 3fay s VAL 1272N 5.39 0.53 0.72 1.11 1.01 -1.26 -5.04 120.40 122.86 3fay s VAL 1272Ca 0.55 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 3fay s VAL 1272Cb 0.03 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3fay s VAL 1272CO 0.07 -0.44 1.23 -2.84 0.00 0.00 0.00 175.10 173.12 3fay s PRO 1273N -1.80 2.14 0.95 2.72 0.02 -1.26 -5.00 135.00 132.76 3fay s PRO 1273Ca -0.08 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.69 3fay s PRO 1273Cb -0.08 -1.82 0.16 0.00 0.02 0.00 0.00 34.50 32.78 3fay s PRO 1273CO -0.00 -1.86 1.09 -1.21 -0.33 0.00 0.00 177.00 174.69 3fay s GLU 1274N -3.79 0.79 0.19 5.54 0.41 -1.26 -4.71 118.70 115.87 3fay s GLU 1274Ca 0.77 1.07 -0.11 0.00 -0.41 0.00 0.00 54.97 56.29 3fay s GLU 1274Cb -0.32 -1.74 0.19 0.00 -1.78 0.00 0.00 34.13 30.49 3fay s GLU 1274CO 0.45 -2.63 1.78 1.25 -0.49 0.00 0.00 175.26 175.61 3fay h LEU 1275N -1.85 0.37 -0.06 1.80 5.85 -2.00 -1.68 115.31 117.74 3fay h LEU 1275Ca -0.50 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3fay h LEU 1275Cb 1.28 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3fay h LEU 1275CO 0.49 0.24 -0.26 1.56 -0.34 0.00 0.00 178.44 180.14 3fay h GLN 1276N 0.51 -0.36 -0.54 1.25 1.08 -1.91 -2.57 115.11 112.58 3fay h GLN 1276Ca 0.26 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 3fay h GLN 1276Cb 0.21 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3fay h GLN 1276CO -0.20 -0.24 0.22 -0.44 -0.95 0.00 0.00 178.83 177.22 3fay h ASP 1277N -0.37 0.74 -0.45 1.46 3.32 -1.77 -1.92 116.42 117.42 3fay h ASP 1277Ca 0.08 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3fay h ASP 1277Cb 0.49 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3fay h ASP 1277CO -0.27 0.70 0.27 0.50 -1.72 0.00 0.00 179.24 178.73 3fay h LYS 1278N 0.73 0.62 -0.58 3.56 1.63 -1.10 -2.39 116.57 119.04 3fay h LYS 1278Ca 0.18 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3fay h LYS 1278Cb 0.19 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3fay h LYS 1278CO -0.02 0.46 0.00 1.19 -3.45 0.00 0.00 179.45 177.63 3fay n PHE 1279N -4.73 0.81 -3.87 1.91 3.01 -0.99 -4.93 117.46 108.67 3fay n PHE 1279Ca 0.01 -0.32 -0.38 0.00 1.01 0.00 0.00 57.45 57.77 3fay n PHE 1279Cb 0.05 -0.15 0.03 0.00 -0.01 0.00 0.00 39.48 39.40 3fay n PHE 1279CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3fay n ASN 1280N 0.50 -4.77 -4.03 4.37 3.02 -0.90 -4.97 115.26 108.47 3fay n ASN 1280Ca 0.14 -1.14 -0.20 0.00 -0.03 0.00 0.00 54.58 53.35 3fay n ASN 1280Cb 0.53 -2.47 -0.15 0.00 -0.61 0.00 0.00 39.78 37.09 3fay n ASN 1280CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3fay s VAL 1281N -3.46 0.81 -0.09 2.41 -7.23 -0.75 -4.97 120.40 107.12 3fay s VAL 1281Ca 0.46 -0.42 0.13 0.00 -1.81 0.00 0.00 61.98 60.33 3fay s VAL 1281Cb -0.21 -0.69 -0.19 0.00 0.56 0.00 0.00 36.38 35.84 3fay s VAL 1281CO 0.92 0.24 0.32 0.47 -0.31 0.00 0.00 175.10 176.73 3fay n ASP 1282N 2.96 1.85 0.00 4.85 8.00 -1.26 -4.69 116.55 128.26 3fay n ASP 1282Ca -0.15 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3fay n ASP 1282Cb 0.56 1.52 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 3fay n ASP 1282CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fay n GLU 1283N -1.87 2.47 0.00 -1.24 1.02 -1.26 -5.00 120.64 114.75 3fay n GLU 1283Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3fay n GLU 1283Cb 0.32 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 3fay n GLU 1283CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3fay n TYR 1284N 0.00 0.00 0.29 -0.32 9.36 -1.26 -4.79 117.16 120.43 3fay n TYR 1284Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 3fay n TYR 1284Cb 0.00 0.00 0.64 0.00 -0.63 0.00 0.00 39.34 39.35 3fay n TYR 1284CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 3fay h SER 1285N 0.04 0.00 -2.14 2.98 0.02 -1.99 -3.38 113.55 109.08 3fay h SER 1285Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3fay h SER 1285Cb 0.00 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.61 3fay h SER 1285CO 0.00 0.00 0.04 -1.81 -1.14 0.00 0.00 176.83 173.92 3fay s ASP 1286N -4.45 4.72 0.00 3.07 1.01 -1.26 -4.40 116.67 115.35 3fay s ASP 1286Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.97 3fay s ASP 1286Cb 0.09 -0.26 0.00 0.00 1.01 0.00 0.00 42.92 43.75 3fay s ASP 1286CO 0.34 -1.58 0.00 0.18 0.21 0.00 0.00 175.17 174.32 3fay n LEU 1287N -2.62 0.00 -3.45 1.23 4.77 -1.26 -4.79 117.00 110.88 3fay n LEU 1287Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 3fay n LEU 1287Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3fay n LEU 1287CO 0.43 0.00 2.11 1.33 -1.33 0.00 0.00 177.39 179.93 3fay n VAL 1288N 0.00 1.83 0.70 4.08 0.24 -1.26 -4.24 118.33 119.68 3fay n VAL 1288Ca 0.00 -1.39 0.07 0.00 -2.04 0.00 0.00 64.34 60.99 3fay n VAL 1288Cb 0.00 -2.21 -0.04 0.00 -1.47 0.00 0.00 33.84 30.13 3fay n VAL 1288CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3fay n THR 1289N 5.45 0.00 1.70 3.34 -2.24 -1.26 -4.30 114.28 116.97 3fay n THR 1289Ca 0.45 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.99 3fay n THR 1289Cb 0.30 1.11 0.09 0.00 -2.10 0.00 0.00 70.33 69.73 3fay n THR 1289CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fay n LEU 1290N -0.63 0.00 0.00 3.22 -0.00 -1.26 -4.93 117.00 113.39 3fay n LEU 1290Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 3fay n LEU 1290Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 3fay n LEU 1290CO 0.24 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.04 3fay n THR 1291N -0.56 0.00 -3.30 1.47 -1.04 -1.26 -4.22 114.28 105.37 3fay n THR 1291Ca 0.02 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.59 3fay n THR 1291Cb 0.01 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.46 3fay n THR 1291CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3fay s LYS 1292N 0.00 3.01 0.02 -2.82 2.20 -1.26 -5.03 119.74 115.86 3fay s LYS 1292Ca 0.00 -1.35 -0.30 0.00 -0.36 0.00 0.00 55.97 53.96 3fay s LYS 1292Cb 0.00 -4.18 -0.08 0.00 -1.51 0.00 0.00 37.83 32.06 3fay s LYS 1292CO 0.00 -1.19 1.85 -1.25 -0.36 0.00 0.00 175.35 174.40 3fay s PRO 1293N 1.91 4.16 -0.08 4.03 0.04 -1.26 -4.99 135.00 138.80 3fay s PRO 1293Ca 0.06 2.47 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3fay s PRO 1293Cb -0.25 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 3fay s PRO 1293CO 0.07 -0.90 -0.15 0.08 0.04 0.00 0.00 177.00 176.13 3fay s VAL 1294N 4.12 2.94 -0.24 -0.36 1.01 -1.26 -5.03 120.40 121.58 3fay s VAL 1294Ca 0.83 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 3fay s VAL 1294Cb -0.40 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3fay s VAL 1294CO 0.37 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.45 3fay s ILE 1295N -0.27 4.13 -0.46 2.22 1.09 -1.26 -4.97 121.20 121.68 3fay s ILE 1295Ca 0.02 -0.23 -0.23 0.00 -1.10 0.00 0.00 60.65 59.10 3fay s ILE 1295Cb -0.13 -2.92 0.03 0.00 -1.06 0.00 0.00 42.46 38.38 3fay s ILE 1295CO 0.03 0.36 0.80 -0.31 -0.10 0.00 0.00 174.94 175.72 3fay s TYR 1296N 1.52 2.98 -0.03 3.97 1.51 -1.26 -5.01 117.35 121.03 3fay s TYR 1296Ca 0.06 0.17 -0.06 0.00 -1.01 0.00 0.00 57.07 56.22 3fay s TYR 1296Cb -0.15 -3.71 0.01 0.00 -0.11 0.00 0.00 41.96 38.00 3fay s TYR 1296CO 0.02 -1.01 0.15 -1.50 -1.11 0.00 0.00 175.55 172.10 3fay s ILE 1297N 3.35 0.04 0.70 2.71 2.07 -1.26 -4.92 121.20 123.89 3fay s ILE 1297Ca 0.30 -0.31 -0.08 0.00 -1.41 0.00 0.00 60.65 59.16 3fay s ILE 1297Cb -0.12 -0.32 0.05 0.00 0.13 0.00 0.00 42.46 42.21 3fay s ILE 1297CO 0.23 -0.17 1.03 -0.94 -1.91 0.00 0.00 174.94 173.18 3fay s SER 1298N -0.57 4.94 0.23 4.50 1.04 -1.26 -4.90 113.70 117.68 3fay s SER 1298Ca -0.07 0.61 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 3fay s SER 1298Cb -0.04 -1.30 0.21 0.00 0.10 0.00 0.00 66.02 64.98 3fay s SER 1298CO 0.01 -1.55 1.76 0.40 0.98 0.00 0.00 173.24 174.84 3fay h ILE 1299N -0.62 1.25 -0.78 -1.02 1.08 -1.99 -0.86 117.51 114.58 3fay h ILE 1299Ca -0.45 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 3fay h ILE 1299Cb 1.30 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 3fay h ILE 1299CO 0.62 0.35 0.44 1.23 -0.69 0.00 0.00 178.15 180.10 3fay h GLY 1300N 1.07 1.15 1.62 5.37 0.00 -1.93 -1.55 103.07 108.79 3fay h GLY 1300Ca 0.22 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 3fay h GLY 1300CO -0.00 0.49 -0.55 0.83 0.00 0.00 0.00 176.54 177.30 3fay h GLU 1301N 1.07 0.40 -0.34 4.80 5.08 -1.85 -2.37 114.58 121.37 3fay h GLU 1301Ca 0.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3fay h GLU 1301Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3fay h GLU 1301CO -0.05 0.85 0.19 0.82 -1.00 0.00 0.00 179.01 179.82 3fay h ILE 1302N 0.31 1.13 -0.67 3.13 2.04 -0.72 -0.38 117.51 122.34 3fay h ILE 1302Ca 0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3fay h ILE 1302Cb 1.06 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3fay h ILE 1302CO 0.09 0.13 0.44 0.40 0.00 0.00 0.00 178.15 179.22 3fay h ILE 1303N 0.43 1.17 -0.00 -0.67 2.04 -1.19 0.32 117.51 119.61 3fay h ILE 1303Ca 0.12 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3fay h ILE 1303Cb 0.04 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3fay h ILE 1303CO -0.02 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.08 3fay h ASN 1304N 0.91 0.00 0.35 1.72 2.35 -1.12 -0.80 115.58 118.99 3fay h ASN 1304Ca 0.25 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3fay h ASN 1304Cb -0.10 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3fay h ASN 1304CO -0.05 0.17 -0.25 0.74 -1.65 0.00 0.00 177.43 176.39 3fay h THR 1305N -0.17 0.48 -0.75 2.81 2.02 -0.75 -1.88 112.91 114.67 3fay h THR 1305Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 3fay h THR 1305Cb 0.17 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 3fay h THR 1305CO -0.00 0.00 0.35 -0.74 0.37 0.00 0.00 175.52 175.50 3fay h HIS 1306N -0.59 0.61 -0.43 3.16 -0.00 -0.36 -1.34 115.15 116.20 3fay h HIS 1306Ca -0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 3fay h HIS 1306Cb 0.50 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 3fay h HIS 1306CO -0.12 0.16 0.23 1.15 -0.00 0.00 0.00 177.93 179.36 3fay h THR 1307N 0.55 1.16 -0.23 6.26 2.02 -0.86 -2.18 112.91 119.63 3fay h THR 1307Ca 0.39 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3fay h THR 1307Cb 0.50 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3fay h THR 1307CO -0.33 0.17 0.10 -0.07 0.37 0.00 0.00 175.52 175.76 3fay h LEU 1308N 0.56 0.31 -1.30 2.58 3.38 -0.58 -1.51 115.31 118.75 3fay h LEU 1308Ca 0.15 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3fay h LEU 1308Cb 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3fay h LEU 1308CO -0.02 0.36 0.50 -0.07 0.09 0.00 0.00 178.44 179.30 3fay h LEU 1309N 0.23 0.77 -0.64 1.67 3.38 -1.18 -1.58 115.31 117.96 3fay h LEU 1309Ca 0.08 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3fay h LEU 1309Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3fay h LEU 1309CO -0.01 0.52 -0.64 -0.07 0.09 0.00 0.00 178.44 178.33 3fay h LEU 1310N 0.89 0.18 -0.62 1.67 3.38 -1.09 -0.23 115.31 119.49 3fay h LEU 1310Ca 0.31 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3fay h LEU 1310Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fay h LEU 1310CO -0.10 0.77 -0.40 0.44 0.09 0.00 0.00 178.44 179.24 3fay h ASP 1311N 0.11 0.00 0.00 -0.43 3.32 -0.33 -3.25 116.42 115.85 3fay h ASP 1311Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3fay h ASP 1311Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3fay h ASP 1311CO 0.09 0.40 -0.29 1.41 -1.72 0.00 0.00 179.24 179.14 3fay n HIS 1312N -3.39 0.00 -0.19 4.55 8.25 -0.84 -4.86 115.22 118.74 3fay n HIS 1312Ca 0.01 -1.07 -0.00 0.00 -0.26 0.00 0.00 57.72 56.40 3fay n HIS 1312Cb 0.58 -0.18 0.09 0.00 1.12 0.00 0.00 29.99 31.60 3fay n HIS 1312CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3fay h GLN 1313N 0.43 0.14 0.00 -0.41 4.15 -1.07 -0.04 115.11 118.31 3fay h GLN 1313Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3fay h GLN 1313Cb 1.09 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3fay h GLN 1313CO 0.01 0.09 0.00 -0.44 -1.93 0.00 0.00 178.83 176.56 3fay h ASP 1314N 0.14 0.00 0.72 -0.69 3.32 -1.86 -1.83 116.42 116.22 3fay h ASP 1314Ca 0.30 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.09 3fay h ASP 1314Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3fay h ASP 1314CO -0.47 0.00 -1.30 0.00 -1.72 0.00 0.00 179.24 175.75 3fay h ALA 1315N 2.06 0.39 0.00 3.45 0.00 -1.55 -3.02 119.26 120.59 3fay h ALA 1315Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 54.91 53.83 3fay h ALA 1315Cb 0.74 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3fay h ALA 1315CO 0.00 1.26 -0.82 -0.84 0.00 0.00 0.00 179.25 178.85 3fay h ILE 1316N 0.03 0.04 -2.22 0.00 3.07 -1.03 -3.40 117.51 113.99 3fay h ILE 1316Ca -0.14 -1.06 -0.58 0.00 1.55 0.00 0.00 64.86 64.63 3fay h ILE 1316Cb 1.90 1.64 -0.38 0.00 -0.27 0.00 0.00 36.82 39.71 3fay h ILE 1316CO 0.14 0.02 -1.03 0.00 -1.05 0.00 0.00 178.15 176.23 3fay n ALA 1317N -2.17 2.70 0.12 0.16 0.00 -0.69 -4.41 120.51 116.21 3fay n ALA 1317Ca 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 53.44 50.32 3fay n ALA 1317Cb 0.56 -0.77 0.57 0.00 0.00 0.00 0.00 19.45 19.81 3fay n ALA 1317CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fay h PRO 1318N 5.01 0.19 -6.30 0.00 0.13 -1.75 -3.42 132.00 125.86 3fay h PRO 1318Ca 0.19 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.76 3fay h PRO 1318Cb 0.90 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3fay h PRO 1318CO 0.40 0.12 0.79 -1.21 -0.23 0.00 0.00 178.00 177.88 3fay s GLU 1319N -5.21 4.31 0.54 0.86 2.02 -1.26 -4.91 118.70 115.04 3fay s GLU 1319Ca -0.06 1.78 0.23 0.00 0.02 0.00 0.00 54.97 56.94 3fay s GLU 1319Cb 0.18 -3.61 1.42 0.00 0.10 0.00 0.00 34.13 32.21 3fay s GLU 1319CO 0.70 -0.54 2.06 1.12 0.02 0.00 0.00 175.26 178.62 3fay h HIS 1320N 7.77 0.00 -0.61 1.61 2.07 -2.00 -1.10 115.15 122.88 3fay h HIS 1320Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3fay h HIS 1320Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3fay h HIS 1320CO 0.75 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.88 3fay n ASN 1321N -4.30 4.83 -4.72 3.10 6.94 -1.26 -4.95 115.26 114.90 3fay n ASN 1321Ca 0.04 -2.53 -0.42 0.00 -0.02 0.00 0.00 54.58 51.65 3fay n ASN 1321Cb 0.40 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 3fay n ASN 1321CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3fay s ASP 1322N -0.84 6.43 0.39 0.53 -1.08 -0.42 -4.88 116.67 116.80 3fay s ASP 1322Ca 0.50 2.81 0.17 0.00 -0.52 0.00 0.00 52.55 55.51 3fay s ASP 1322Cb 0.34 -2.60 1.06 0.00 -1.46 0.00 0.00 42.92 40.26 3fay s ASP 1322CO 0.22 -0.93 1.77 -0.65 0.52 0.00 0.00 175.17 176.11 3fay h PRO 1323N 6.55 0.42 -0.05 4.34 0.11 -1.93 -1.43 132.00 140.01 3fay h PRO 1323Ca -0.43 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3fay h PRO 1323Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fay h PRO 1323CO 0.93 0.28 0.05 0.97 -0.21 0.00 0.00 178.00 180.01 3fay h ILE 1324N 0.43 0.68 -0.88 4.15 2.10 -1.97 -2.50 117.51 119.53 3fay h ILE 1324Ca 0.59 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.52 3fay h ILE 1324Cb 1.42 0.96 -0.04 0.00 -1.09 0.00 0.00 36.82 38.07 3fay h ILE 1324CO -0.31 0.00 0.53 0.45 -1.08 0.00 0.00 178.15 177.75 3fay h HIS 1325N 0.00 1.15 -0.17 2.19 3.86 -1.62 -0.76 115.15 119.80 3fay h HIS 1325Ca 0.02 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3fay h HIS 1325Cb 0.12 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 3fay h HIS 1325CO 0.00 0.76 -0.12 1.49 0.86 0.00 0.00 177.93 180.93 3fay h GLU 1326N 1.21 0.38 -0.50 2.45 4.81 -1.62 -1.22 114.58 120.09 3fay h GLU 1326Ca 0.32 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3fay h GLU 1326Cb -0.06 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.25 3fay h GLU 1326CO -0.06 0.72 0.12 -0.07 -0.73 0.00 0.00 179.01 178.98 3fay h LEU 1327N 0.04 0.04 -0.85 1.64 3.38 -1.40 -0.22 115.31 117.94 3fay h LEU 1327Ca 0.03 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3fay h LEU 1327Cb 0.62 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3fay h LEU 1327CO 0.03 0.05 -0.34 -0.07 0.09 0.00 0.00 178.44 178.20 3fay h LEU 1328N 0.26 0.46 0.69 1.67 3.38 -1.13 -2.22 115.31 118.43 3fay h LEU 1328Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3fay h LEU 1328Cb 0.32 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fay h LEU 1328CO -0.31 0.77 -0.33 -0.78 0.09 0.00 0.00 178.44 177.88 3fay h ASP 1329N 0.38 -0.79 0.83 -0.43 3.58 0.07 -2.30 116.42 117.76 3fay h ASP 1329Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3fay h ASP 1329Cb 0.78 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 3fay h ASP 1329CO 0.06 -0.50 -0.01 0.44 -2.88 0.00 0.00 179.24 176.36 3fay h ASP 1330N -1.04 0.00 0.92 2.28 3.32 -1.15 -0.57 116.42 120.19 3fay h ASP 1330Ca -0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3fay h ASP 1330Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3fay h ASP 1330CO 0.16 0.01 -0.37 0.25 -1.72 0.00 0.00 179.24 177.57 3fay h LEU 1331N 0.00 0.00 0.00 1.55 5.85 -1.24 -3.47 115.31 117.99 3fay h LEU 1331Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fay h LEU 1331Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3fay h LEU 1331CO 0.00 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.08 3fay n GLY 1332N 0.32 3.04 3.76 3.75 0.00 -0.22 -4.85 105.19 110.99 3fay n GLY 1332Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3fay n GLY 1332CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fay s GLU 1333N 0.00 4.67 0.20 1.61 2.02 -1.26 -4.93 118.70 121.00 3fay s GLU 1333Ca 0.00 1.55 -0.32 0.00 0.02 0.00 0.00 54.97 56.22 3fay s GLU 1333Cb 0.00 -3.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 3fay s GLU 1333CO 0.00 0.31 1.69 0.08 0.02 0.00 0.00 175.26 177.36 3fay s VAL 1334N -1.31 2.17 0.80 2.63 1.01 -1.26 -4.94 120.40 119.50 3fay s VAL 1334Ca 0.46 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3fay s VAL 1334Cb -0.26 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 33.12 3fay s VAL 1334CO 0.32 0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.40 3fay s PRO 1335N 1.19 1.87 0.44 2.72 0.04 -1.26 -5.04 135.00 134.96 3fay s PRO 1335Ca 0.74 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 3fay s PRO 1335Cb -0.48 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3fay s PRO 1335CO 0.32 -1.97 0.71 0.99 0.04 0.00 0.00 177.00 177.08 3fay s THR 1336N -2.60 4.89 0.65 1.26 2.01 -1.26 -4.91 115.64 115.68 3fay s THR 1336Ca 0.66 -0.06 0.15 0.00 0.31 0.00 0.00 61.69 62.75 3fay s THR 1336Cb -0.21 -3.83 0.17 0.00 0.01 0.00 0.00 72.50 68.64 3fay s THR 1336CO 0.53 -0.72 1.41 0.40 -0.69 0.00 0.00 174.62 175.56 3fay h ILE 1337N 0.39 0.03 -1.72 1.82 5.03 -1.96 -3.00 117.51 118.09 3fay h ILE 1337Ca -0.48 0.00 -0.38 0.00 -0.12 0.00 0.00 64.86 63.88 3fay h ILE 1337Cb 1.21 0.27 -0.28 0.00 -3.03 0.00 0.00 36.82 35.00 3fay h ILE 1337CO 0.61 0.00 -0.75 -1.83 -0.68 0.00 0.00 178.15 175.51 3fay s GLU 1338N -4.12 0.97 0.00 2.37 4.04 -1.26 -4.93 118.70 115.77 3fay s GLU 1338Ca -0.02 -1.59 0.16 0.00 0.04 0.00 0.00 54.97 53.56 3fay s GLU 1338Cb 0.06 -0.76 0.13 0.00 0.02 0.00 0.00 34.13 33.57 3fay s GLU 1338CO 0.18 -1.36 1.01 0.43 -1.84 0.00 0.00 175.26 173.69