#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdf h LYS 971 N 0.00 0.41 -0.85 -1.09 3.64 -2.04 -2.77 116.57 113.87 1wdf h LYS 971 Ca 0.00 -0.70 0.03 0.00 -1.27 0.00 0.00 60.65 58.72 1wdf h LYS 971 Cb 0.00 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1wdf h LYS 971 CO 0.00 1.33 0.55 0.00 -2.27 0.00 0.00 179.45 179.06 1wdf h MET 972 N -0.01 1.03 0.75 1.90 -0.00 -2.04 1.56 114.93 118.13 1wdf h MET 972 Ca -0.29 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.70 59.31 1wdf h MET 972 Cb 2.01 -0.23 0.01 0.00 -0.00 0.00 0.00 31.60 33.39 1wdf h MET 972 CO 0.19 0.68 -0.36 0.97 -0.00 0.00 0.00 176.91 178.39 1wdf h ILE 973 N 1.07 0.00 -0.68 -0.10 2.10 -1.99 0.43 117.51 118.34 1wdf h ILE 973 Ca 0.34 -0.20 0.14 0.00 1.08 0.00 0.00 64.86 66.22 1wdf h ILE 973 Cb 0.01 0.00 -0.10 0.00 -1.09 0.00 0.00 36.82 35.64 1wdf h ILE 973 CO -0.12 0.00 0.18 0.00 -1.08 0.00 0.00 178.15 177.14 1wdf h ALA 974 N -1.34 0.87 -0.50 0.18 0.00 -1.22 0.82 119.26 118.07 1wdf h ALA 974 Ca -0.10 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wdf h ALA 974 Cb 0.77 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1wdf h ALA 974 CO 0.17 -0.30 0.09 0.77 0.00 0.00 0.00 179.25 179.98 1wdf h SER 975 N 0.30 0.79 -0.67 0.00 0.02 0.23 -0.06 113.55 114.17 1wdf h SER 975 Ca 0.37 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1wdf h SER 975 Cb 0.59 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1wdf h SER 975 CO -0.44 0.85 0.20 0.00 -1.14 0.00 0.00 176.83 176.29 1wdf h ALA 976 N 0.98 0.87 0.19 3.77 0.00 0.12 0.38 119.26 125.57 1wdf h ALA 976 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wdf h ALA 976 Cb 0.38 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wdf h ALA 976 CO 0.01 0.55 -0.12 0.35 0.00 0.00 0.00 179.25 180.05 1wdf h PHE 977 N 0.97 -0.31 -0.64 0.00 3.57 0.98 0.49 116.94 122.00 1wdf h PHE 977 Ca 0.21 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.86 1wdf h PHE 977 Cb 0.31 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1wdf h PHE 977 CO 0.02 -0.17 0.44 -0.91 -2.23 0.00 0.00 178.31 175.46 1wdf h ASN 978 N -0.29 0.22 -0.23 0.41 2.35 -1.03 0.36 115.58 117.37 1wdf h ASN 978 Ca -0.03 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1wdf h ASN 978 Cb 0.23 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1wdf h ASN 978 CO 0.03 0.12 -0.13 -1.13 -1.65 0.00 0.00 177.43 174.67 1wdf h ASN 979 N 0.24 0.61 0.48 5.81 -0.73 -0.68 -2.59 115.58 118.72 1wdf h ASN 979 Ca 0.31 -0.17 -0.18 0.00 1.87 0.00 0.00 56.30 58.13 1wdf h ASN 979 Cb 0.89 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1wdf h ASN 979 CO -0.06 0.77 -0.78 0.00 -0.37 0.00 0.00 177.43 176.99 1wdf h ALA 980 N 1.29 0.63 -0.41 1.57 0.00 0.20 -3.07 119.26 119.47 1wdf h ALA 980 Ca 0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1wdf h ALA 980 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wdf h ALA 980 CO 0.03 0.84 0.00 -0.07 0.00 0.00 0.00 179.25 180.06 1wdf h LEU 981 N 0.14 0.71 0.01 0.00 3.38 -0.97 -0.31 115.31 118.28 1wdf h LEU 981 Ca -0.03 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1wdf h LEU 981 Cb 1.36 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1wdf h LEU 981 CO 0.12 0.84 -0.22 1.23 0.09 0.00 0.00 178.44 180.50 1wdf h GLY 982 N 0.55 -0.33 0.29 0.83 0.00 -1.49 -0.05 103.07 102.88 1wdf h GLY 982 Ca 0.12 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.82 1wdf h GLY 982 CO 0.02 -0.19 0.28 0.00 0.00 0.00 0.00 176.54 176.65 1wdf h ALA 983 N 0.51 0.95 0.02 3.60 0.00 -1.42 -1.82 119.26 121.09 1wdf h ALA 983 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wdf h ALA 983 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wdf h ALA 983 CO -0.19 -0.17 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 1wdf h ILE 984 N 0.46 1.05 -0.41 0.00 2.04 -0.26 -1.89 117.51 118.49 1wdf h ILE 984 Ca 0.37 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1wdf h ILE 984 Cb 0.49 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1wdf h ILE 984 CO -0.35 0.05 0.27 1.56 0.00 0.00 0.00 178.15 179.68 1wdf h GLN 985 N -0.10 0.40 -0.12 2.37 4.20 -0.55 -0.23 115.11 121.07 1wdf h GLN 985 Ca -0.00 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1wdf h GLN 985 Cb 0.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wdf h GLN 985 CO 0.00 0.26 -0.64 -0.44 -0.67 0.00 0.00 178.83 177.35 1wdf h ASP 986 N 0.41 0.51 -0.09 1.46 3.32 -1.08 0.26 116.42 121.21 1wdf h ASP 986 Ca 0.17 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1wdf h ASP 986 Cb 0.16 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1wdf h ASP 986 CO -0.04 1.02 0.04 1.23 -1.72 0.00 0.00 179.24 179.77 1wdf h GLY 987 N 1.20 0.14 2.00 2.75 0.00 -0.28 0.06 103.07 108.95 1wdf h GLY 987 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1wdf h GLY 987 CO 0.11 0.07 -0.38 0.74 0.00 0.00 0.00 176.54 177.08 1wdf h PHE 988 N 0.02 0.00 -0.22 5.60 0.05 -1.14 -1.66 116.94 119.60 1wdf h PHE 988 Ca 0.03 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 1wdf h PHE 988 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 1wdf h PHE 988 CO -0.03 0.38 -0.08 0.22 -0.18 0.00 0.00 178.31 178.63 1wdf h ASP 989 N 0.00 0.44 -0.16 2.17 1.82 -0.49 -0.68 116.42 119.52 1wdf h ASP 989 Ca -0.00 -0.39 -0.07 0.00 -0.39 0.00 0.00 57.03 56.18 1wdf h ASP 989 Cb 0.76 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 1wdf h ASP 989 CO 0.05 0.73 -0.11 0.00 -1.61 0.00 0.00 179.24 178.30 1wdf h ALA 990 N 0.73 1.24 0.20 -0.78 0.00 -0.86 -1.84 119.26 117.95 1wdf h ALA 990 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1wdf h ALA 990 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wdf h ALA 990 CO 0.03 0.50 -0.10 1.15 0.00 0.00 0.00 179.25 180.83 1wdf h THR 991 N 0.48 0.88 -0.54 0.00 2.02 -1.10 0.26 112.91 114.91 1wdf h THR 991 Ca 0.09 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1wdf h THR 991 Cb 0.48 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1wdf h THR 991 CO 0.03 0.10 0.36 -1.13 0.37 0.00 0.00 175.52 175.25 1wdf h ASN 992 N -0.51 0.45 0.41 4.18 -0.73 -0.98 0.23 115.58 118.64 1wdf h ASN 992 Ca -0.03 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1wdf h ASN 992 Cb 0.38 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1wdf h ASN 992 CO 0.05 0.30 -0.20 -1.28 -0.37 0.00 0.00 177.43 175.93 1wdf h SER 993 N 0.52 -0.47 -0.56 1.15 0.87 -1.08 -0.97 113.55 113.02 1wdf h SER 993 Ca 0.23 -0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.79 1wdf h SER 993 Cb 0.25 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.23 1wdf h SER 993 CO -0.06 -0.10 -0.04 0.00 -0.53 0.00 0.00 176.83 176.10 1wdf h ALA 994 N -0.50 0.49 -0.67 6.23 0.00 -0.00 0.18 119.26 125.00 1wdf h ALA 994 Ca -0.06 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1wdf h ALA 994 Cb 0.56 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1wdf h ALA 994 CO 0.09 -0.41 0.24 -0.07 0.00 0.00 0.00 179.25 179.11 1wdf h LEU 995 N 0.08 0.21 -0.86 0.00 3.38 -0.47 0.33 115.31 117.97 1wdf h LEU 995 Ca 0.28 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1wdf h LEU 995 Cb 0.45 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1wdf h LEU 995 CO -0.51 0.10 0.14 1.23 0.09 0.00 0.00 178.44 179.49 1wdf h GLY 996 N 0.40 1.06 1.93 0.83 0.00 0.59 -1.43 103.07 106.45 1wdf h GLY 996 Ca 0.35 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1wdf h GLY 996 CO -0.36 0.60 -0.53 1.70 0.00 0.00 0.00 176.54 177.95 1wdf h LYS 997 N 0.93 0.07 -0.02 4.80 3.64 0.84 -2.95 116.57 123.89 1wdf h LYS 997 Ca 0.20 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 1wdf h LYS 997 Cb 0.35 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1wdf h LYS 997 CO 0.00 0.58 -0.85 0.82 -2.27 0.00 0.00 179.45 177.74 1wdf h ILE 998 N 0.06 1.33 -0.66 2.00 2.04 -0.08 -2.79 117.51 119.41 1wdf h ILE 998 Ca -0.00 -2.14 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 1wdf h ILE 998 Cb 0.95 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 1wdf h ILE 998 CO 0.07 0.65 0.32 -0.61 0.00 0.00 0.00 178.15 178.58 1wdf h GLN 999 N 0.23 0.95 0.60 2.37 4.15 -1.28 -1.18 115.11 120.96 1wdf h GLN 999 Ca -0.10 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1wdf h GLN 999 Cb 1.52 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 1wdf h GLN 999 CO 0.17 0.75 -0.35 1.03 -1.93 0.00 0.00 178.83 178.50 1wdf h SER 1000N 0.91 -0.86 0.46 -0.69 0.87 -1.55 -0.18 113.55 112.51 1wdf h SER 1000Ca 0.23 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1wdf h SER 1000Cb 0.12 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1wdf h SER 1000CO -0.03 -0.56 -0.22 0.58 -0.53 0.00 0.00 176.83 176.07 1wdf h VAL 1001N -0.89 0.52 -0.95 2.23 2.07 -1.48 0.19 116.25 117.94 1wdf h VAL 1001Ca -0.08 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.37 1wdf h VAL 1001Cb 0.71 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 1wdf h VAL 1001CO 0.09 0.04 0.56 0.58 0.02 0.00 0.00 177.57 178.86 1wdf h VAL 1002N -0.76 0.81 -0.11 2.57 2.07 -1.26 0.59 116.25 120.17 1wdf h VAL 1002Ca -0.06 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1wdf h VAL 1002Cb 0.54 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1wdf h VAL 1002CO 0.10 0.15 -0.31 0.78 0.02 0.00 0.00 177.57 178.31 1wdf h ASN 1003N 0.82 0.46 -0.54 0.57 2.35 -0.91 -1.41 115.58 116.92 1wdf h ASN 1003Ca 0.50 -0.60 0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1wdf h ASN 1003Cb 0.63 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.79 1wdf h ASN 1003CO -0.32 0.98 0.09 0.00 -1.65 0.00 0.00 177.43 176.53 1wdf h ALA 1004N 0.49 0.61 -0.13 -0.83 0.00 0.32 0.19 119.26 119.90 1wdf h ALA 1004Ca -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1wdf h ALA 1004Cb 0.94 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wdf h ALA 1004CO 0.07 -0.32 -0.31 -0.91 0.00 0.00 0.00 179.25 177.77 1wdf h ASN 1005N 0.22 0.26 -0.69 0.00 2.35 -0.91 -2.17 115.58 114.64 1wdf h ASN 1005Ca 0.28 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1wdf h ASN 1005Cb 0.40 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1wdf h ASN 1005CO -0.38 0.56 0.18 0.00 -1.65 0.00 0.00 177.43 176.15 1wdf h ALA 1006N 1.46 1.01 -0.42 -0.83 0.00 0.13 -0.96 119.26 119.64 1wdf h ALA 1006Ca 0.03 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1wdf h ALA 1006Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wdf h ALA 1006CO 0.05 0.65 -0.27 0.93 0.00 0.00 0.00 179.25 180.61 1wdf h GLU 1007N 1.05 0.90 -0.74 0.00 5.08 -0.88 0.14 114.58 120.12 1wdf h GLU 1007Ca 0.22 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1wdf h GLU 1007Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1wdf h GLU 1007CO -0.00 1.05 0.37 0.00 -1.00 0.00 0.00 179.01 179.43 1wdf h ALA 1008N 0.93 1.26 -0.08 3.43 0.00 -1.12 0.22 119.26 123.89 1wdf h ALA 1008Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wdf h ALA 1008Cb 0.83 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wdf h ALA 1008CO 0.07 0.58 -0.13 1.25 0.00 0.00 0.00 179.25 181.02 1wdf h LEU 1009N 1.05 0.25 -0.45 0.00 5.85 -0.82 -2.25 115.31 118.95 1wdf h LEU 1009Ca 0.26 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1wdf h LEU 1009Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1wdf h LEU 1009CO -0.04 0.75 0.13 -1.13 -0.34 0.00 0.00 178.44 177.81 1wdf h ASN 1010N -0.23 0.66 0.22 1.25 -0.00 -0.71 -1.70 115.58 115.07 1wdf h ASN 1010Ca 0.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 56.30 56.08 1wdf h ASN 1010Cb 0.70 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.84 1wdf h ASN 1010CO 0.03 0.70 -0.07 0.78 -0.00 0.00 0.00 177.43 178.87 1wdf h ASN 1011N 0.59 0.00 0.66 1.15 2.35 -0.62 -0.79 115.58 118.92 1wdf h ASN 1011Ca 0.14 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.70 1wdf h ASN 1011Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1wdf h ASN 1011CO -0.00 0.07 -0.87 0.25 -1.65 0.00 0.00 177.43 175.22 1wdf h LEU 1012N 0.00 0.18 -0.35 1.61 5.85 -0.70 -2.74 115.31 119.16 1wdf h LEU 1012Ca -0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1wdf h LEU 1012Cb 0.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1wdf h LEU 1012CO 0.01 0.97 0.12 -0.07 -0.34 0.00 0.00 178.44 179.12 1wdf h LEU 1013N 0.07 0.50 -0.52 2.25 3.38 -0.38 -2.21 115.31 118.41 1wdf h LEU 1013Ca -0.04 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1wdf h LEU 1013Cb 1.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1wdf h LEU 1013CO 0.13 0.56 -0.01 0.78 0.09 0.00 0.00 178.44 180.00 1wdf h ASN 1014N 0.42 0.91 0.65 -0.43 2.35 -1.51 0.07 115.58 118.04 1wdf h ASN 1014Ca 0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1wdf h ASN 1014Cb 0.24 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1wdf h ASN 1014CO -0.01 1.00 0.00 1.56 -1.65 0.00 0.00 177.43 178.33 1wdf h GLN 1015N 0.80 0.00 0.06 0.81 4.20 -1.40 -2.62 115.11 116.96 1wdf h GLN 1015Ca 0.15 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.51 1wdf h GLN 1015Cb 0.54 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1wdf h GLN 1015CO 0.03 0.00 -2.01 1.28 -0.67 0.00 0.00 178.83 177.46 1wdf n LEU 1016N -2.37 1.93 0.26 1.46 4.77 -0.79 -3.27 117.00 118.98 1wdf n LEU 1016Ca 0.01 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1wdf n LEU 1016Cb 0.21 -0.56 0.69 0.00 -2.33 0.00 0.00 43.42 41.42 1wdf n LEU 1016CO 0.19 0.70 0.98 0.28 -1.33 0.00 0.00 177.39 178.21 1wdf h SER 1017N 0.03 0.00 0.07 -1.43 0.02 -0.65 -1.27 113.55 110.32 1wdf h SER 1017Ca -0.41 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 1wdf h SER 1017Cb 2.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.58 1wdf h SER 1017CO 0.06 0.11 -0.41 0.78 -1.14 0.00 0.00 176.83 176.23 1wdf h ASN 1018N 0.00 0.23 0.94 3.07 2.35 -1.61 -3.27 115.58 117.29 1wdf h ASN 1018Ca -0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 56.30 54.77 1wdf h ASN 1018Cb 0.25 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1wdf h ASN 1018CO 0.01 1.20 0.00 0.54 -1.65 0.00 0.00 177.43 177.53 1wdf n ARG 1019N -4.37 0.06 -0.05 0.81 1.74 -1.10 0.35 116.66 114.10 1wdf n ARG 1019Ca -0.12 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 1wdf n ARG 1019Cb 0.65 -1.58 0.26 0.00 -1.02 0.00 0.00 32.46 30.77 1wdf n ARG 1019CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1wdf n PHE 1020N -1.69 0.14 -0.01 -1.55 0.99 -0.50 -3.63 117.46 111.22 1wdf n PHE 1020Ca 0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1wdf n PHE 1020Cb 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.75 1wdf n PHE 1020CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1wdf n GLY 1021N 1.32 -0.18 0.00 1.37 0.00 -0.67 -4.34 105.19 102.68 1wdf n GLY 1021Ca 0.17 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1wdf n GLY 1021CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdf n ALA 1022N -1.88 2.24 -1.22 4.61 0.00 0.16 -5.09 120.51 119.34 1wdf n ALA 1022Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wdf n ALA 1022Cb 0.35 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1wdf n ALA 1022CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wdf n ILE 1023N -1.08 0.00 -2.87 0.00 5.41 -1.24 -5.04 119.36 114.53 1wdf n ILE 1023Ca 0.14 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.48 1wdf n ILE 1023Cb 0.10 -0.49 -0.04 0.00 -0.71 0.00 0.00 39.64 38.50 1wdf n ILE 1023CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wdf s ASP 1216N 0.60 6.91 0.00 4.38 -1.08 -1.26 -4.94 116.67 121.28 1wdf s ASP 1216Ca 0.00 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.16 1wdf s ASP 1216Cb 0.00 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1wdf s ASP 1216CO 0.00 -0.47 0.76 0.18 0.52 0.00 0.00 175.17 176.15 1wdf n LEU 1217N 5.68 0.47 -4.70 -1.34 4.77 -1.26 -4.82 117.00 115.80 1wdf n LEU 1217Ca 0.06 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1wdf n LEU 1217Cb 0.48 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1wdf n LEU 1217CO 0.48 0.12 0.67 -0.55 -1.33 0.00 0.00 177.39 176.78 1wdf s SER 1218N -0.53 7.22 0.90 -1.43 0.15 -1.26 -4.73 113.70 114.02 1wdf s SER 1218Ca 0.00 1.49 -0.14 0.00 0.70 0.00 0.00 55.95 58.00 1wdf s SER 1218Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wdf s SER 1218CO 0.00 -0.32 0.31 0.18 1.20 0.00 0.00 173.24 174.61 1wdf n LEU 1219N 4.43 -0.59 -4.22 3.45 4.77 -1.26 -4.97 117.00 118.60 1wdf n LEU 1219Ca 0.06 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 1wdf n LEU 1219Cb 0.50 -1.16 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1wdf n LEU 1219CO 0.51 -3.77 0.06 -0.62 -1.33 0.00 0.00 177.39 172.24 1wdf s ASP 1220N -1.79 5.84 0.00 -1.43 2.15 -1.26 -4.94 116.67 115.24 1wdf s ASP 1220Ca 0.57 -2.10 0.27 0.00 0.43 0.00 0.00 52.55 51.72 1wdf s ASP 1220Cb -0.24 -2.04 1.55 0.00 -0.30 0.00 0.00 42.92 41.89 1wdf s ASP 1220CO 0.67 -0.66 1.95 0.49 -0.17 0.00 0.00 175.17 177.45 1wdf n PHE 1221N 4.67 0.00 0.26 -5.34 3.01 -1.26 -3.32 117.46 115.49 1wdf n PHE 1221Ca -0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.56 1wdf n PHE 1221Cb 0.41 -0.07 0.68 0.00 -0.01 0.00 0.00 39.48 40.49 1wdf n PHE 1221CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1wdf h GLU 1222N 0.00 0.00 0.00 -1.08 4.81 -2.03 -2.82 114.58 113.45 1wdf h GLU 1222Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wdf h GLU 1222Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1wdf h GLU 1222CO 0.00 0.11 -0.13 0.36 -0.73 0.00 0.00 179.01 178.62 1wdf n LYS 1223N -3.36 1.10 -1.07 1.92 2.85 -1.21 -4.73 118.16 113.67 1wdf n LYS 1223Ca -0.01 -1.83 -0.08 0.00 -1.05 0.00 0.00 58.31 55.34 1wdf n LYS 1223Cb 0.30 -1.08 0.15 0.00 -0.65 0.00 0.00 35.03 33.75 1wdf n LYS 1223CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1wdf n LEU 1224N -0.80 4.08 -4.56 -5.58 4.77 -1.07 -5.02 117.00 108.82 1wdf n LEU 1224Ca 0.08 -4.09 -0.43 0.00 -0.03 0.00 0.00 56.01 51.54 1wdf n LEU 1224Cb 0.59 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1wdf n LEU 1224CO 0.01 1.53 0.72 0.54 -1.33 0.00 0.00 177.39 178.85 1wdf s ASN 1225N -2.98 6.48 0.06 -1.43 4.22 -1.25 -4.95 114.94 115.08 1wdf s ASN 1225Ca 0.45 0.05 -0.24 0.00 -2.14 0.00 0.00 52.86 50.98 1wdf s ASN 1225Cb 0.40 -2.44 -0.06 0.00 1.28 0.00 0.00 41.25 40.44 1wdf s ASN 1225CO -0.02 -1.04 0.74 -0.69 -2.04 0.00 0.00 177.10 174.06 1wdf s VAL 1226N 3.68 4.69 0.01 3.54 1.01 -1.26 -5.07 120.40 127.00 1wdf s VAL 1226Ca 0.35 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1wdf s VAL 1226Cb -0.11 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1wdf s VAL 1226CO 0.25 0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 174.74 1wdf s THR 1227N -0.29 3.21 0.10 3.92 2.01 -1.26 -5.11 115.64 118.23 1wdf s THR 1227Ca 0.37 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1wdf s THR 1227Cb -0.21 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1wdf s THR 1227CO 0.23 0.41 0.03 -0.76 -0.69 0.00 0.00 174.62 173.83 1wdf s LEU 1228N -1.30 3.55 -0.09 4.42 1.43 -1.26 -4.90 118.68 120.53 1wdf s LEU 1228Ca 0.15 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1wdf s LEU 1228Cb -0.11 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1wdf s LEU 1228CO 0.05 0.16 0.06 -0.22 0.23 0.00 0.00 176.35 176.63 1wdf s LEU 1229N -2.43 3.89 -0.21 1.79 2.96 -1.26 -5.09 118.68 118.33 1wdf s LEU 1229Ca 0.27 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1wdf s LEU 1229Cb -0.12 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.70 1wdf s LEU 1229CO 0.19 0.38 0.01 -0.62 -1.32 0.00 0.00 176.35 175.00 1wdf s ASP 1230N -0.99 3.27 -0.12 3.68 -1.08 -1.26 -4.96 116.67 115.21 1wdf s ASP 1230Ca 0.15 -0.98 0.15 0.00 -0.52 0.00 0.00 52.55 51.34 1wdf s ASP 1230Cb -0.12 -0.79 0.48 0.00 -1.46 0.00 0.00 42.92 41.03 1wdf s ASP 1230CO 0.04 -0.29 1.39 0.18 0.52 0.00 0.00 175.17 177.00 1wdf n LEU 1231N 4.92 3.68 -0.22 -1.34 4.32 -1.26 -4.67 117.00 122.43 1wdf n LEU 1231Ca -0.09 -2.64 -0.06 0.00 -0.02 0.00 0.00 56.01 53.19 1wdf n LEU 1231Cb 0.46 -0.45 0.04 0.00 -1.62 0.00 0.00 43.42 41.85 1wdf n LEU 1231CO 0.14 0.70 1.13 0.71 -1.22 0.00 0.00 177.39 178.86 1wdf h THR 1232N 2.08 1.15 -0.60 -5.08 1.35 -1.98 0.10 112.91 109.93 1wdf h THR 1232Ca 0.00 -0.29 0.04 0.00 -0.55 0.00 0.00 66.41 65.62 1wdf h THR 1232Cb 1.23 0.25 -0.05 0.00 -1.73 0.00 0.00 68.15 67.85 1wdf h THR 1232CO 0.16 0.15 0.34 0.22 -0.25 0.00 0.00 175.52 176.14 1wdf h TYR 1233N 0.83 0.62 0.48 4.73 3.20 -2.00 -0.76 116.97 124.07 1wdf h TYR 1233Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1wdf h TYR 1233Cb -0.09 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1wdf h TYR 1233CO -0.03 0.32 -0.23 0.93 -1.64 0.00 0.00 178.16 177.51 1wdf h GLU 1234N 0.64 -0.62 -0.56 1.82 3.07 -1.74 -2.64 114.58 114.55 1wdf h GLU 1234Ca 0.26 0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.31 1wdf h GLU 1234Cb 0.12 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1wdf h GLU 1234CO -0.15 -0.31 0.40 0.52 -1.40 0.00 0.00 179.01 178.07 1wdf h MET 1235N -0.97 0.10 -0.15 2.33 2.86 -0.73 -1.08 114.93 117.29 1wdf h MET 1235Ca -0.07 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1wdf h MET 1235Cb 0.59 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.24 1wdf h MET 1235CO 0.11 0.07 -0.68 -0.91 1.06 0.00 0.00 176.91 176.55 1wdf h ASN 1236N 0.10 0.86 -0.50 1.22 2.35 -1.12 -2.47 115.58 116.03 1wdf h ASN 1236Ca 0.27 -0.62 -0.03 0.00 -0.55 0.00 0.00 56.30 55.36 1wdf h ASN 1236Cb 0.92 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1wdf h ASN 1236CO -0.03 1.34 0.21 -0.09 -1.65 0.00 0.00 177.43 177.21 1wdf h ARG 1237N 0.43 0.79 -0.20 0.81 2.43 -0.86 -1.15 114.38 116.63 1wdf h ARG 1237Ca -0.04 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.86 1wdf h ARG 1237Cb 1.31 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1wdf h ARG 1237CO 0.14 0.65 -0.48 0.82 -1.51 0.00 0.00 179.97 179.60 1wdf h ILE 1238N 0.78 1.31 -0.02 1.20 2.04 -1.29 -1.72 117.51 119.82 1wdf h ILE 1238Ca 0.19 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 1wdf h ILE 1238Cb 0.17 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1wdf h ILE 1238CO -0.02 0.53 -0.37 1.56 0.00 0.00 0.00 178.15 179.84 1wdf h GLN 1239N 0.42 0.03 -0.17 2.37 4.20 -0.84 -0.91 115.11 120.22 1wdf h GLN 1239Ca 0.02 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1wdf h GLN 1239Cb 0.99 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1wdf h GLN 1239CO 0.09 0.40 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.90 1wdf h ASP 1240N 0.03 0.57 -0.04 1.46 5.19 -0.94 -1.99 116.42 120.70 1wdf h ASP 1240Ca 0.00 -0.55 0.01 0.00 -0.62 0.00 0.00 57.03 55.88 1wdf h ASP 1240Cb 0.68 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1wdf h ASP 1240CO 0.05 1.01 -0.05 0.00 -3.12 0.00 0.00 179.24 177.13 1wdf h ALA 1241N 0.57 -0.02 -0.78 3.45 0.00 -0.86 0.47 119.26 122.09 1wdf h ALA 1241Ca 0.01 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1wdf h ALA 1241Cb 0.91 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1wdf h ALA 1241CO 0.07 -0.53 0.42 0.82 0.00 0.00 0.00 179.25 180.03 1wdf h ILE 1242N -0.07 0.86 -0.32 0.00 2.04 -1.17 0.99 117.51 119.83 1wdf h ILE 1242Ca 0.03 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1wdf h ILE 1242Cb 0.12 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1wdf h ILE 1242CO -0.08 0.13 -0.09 0.11 0.00 0.00 0.00 178.15 178.22 1wdf h LYS 1243N 0.69 0.62 -0.56 2.37 1.57 -0.74 -2.96 116.57 117.56 1wdf h LYS 1243Ca 0.39 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1wdf h LYS 1243Cb 0.41 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1wdf h LYS 1243CO -0.27 0.81 0.33 -0.22 -0.57 0.00 0.00 179.45 179.52 1wdf h LYS 1244N 0.40 0.76 -0.33 3.15 3.64 0.72 -1.43 116.57 123.49 1wdf h LYS 1244Ca 0.08 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1wdf h LYS 1244Cb 0.58 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1wdf h LYS 1244CO 0.03 0.56 0.26 -0.07 -2.27 0.00 0.00 179.45 177.96 1wdf h LEU 1245N 0.75 0.00 -2.60 5.20 3.38 -0.78 0.36 115.31 121.62 1wdf h LEU 1245Ca 0.20 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1wdf h LEU 1245Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wdf h LEU 1245CO -0.04 0.00 0.03 -1.13 0.09 0.00 0.00 178.44 177.39 1wdf h ASN 1246N 0.00 0.00 0.00 -0.43 -0.73 -1.09 -2.51 115.58 110.82 1wdf h ASN 1246Ca 0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1wdf h ASN 1246Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1wdf h ASN 1246CO -0.00 0.00 0.00 -0.62 -0.37 0.00 0.00 177.43 176.44 1wdf n GLU 1247N -3.57 0.90 -3.60 6.67 1.02 0.13 -4.56 120.64 117.63 1wdf n GLU 1247Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 1wdf n GLU 1247Cb 0.11 -1.34 -0.13 0.00 -0.02 0.00 0.00 31.44 30.06 1wdf n GLU 1247CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wdf s SER 1248N -0.35 3.40 0.00 1.62 0.01 -0.95 -5.04 113.70 112.39 1wdf s SER 1248Ca 0.00 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.00 1wdf s SER 1248Cb 0.00 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1wdf s SER 1248CO 0.00 -0.31 0.00 -1.22 0.41 0.00 0.00 173.24 172.12 1wdf n TYR 1249N 3.99 0.00 0.00 2.43 4.02 -1.26 -4.80 117.16 121.55 1wdf n TYR 1249Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1wdf n TYR 1249Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1wdf n TYR 1249CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 1wdf n ILE 1250N 0.00 0.00 -1.15 -0.72 3.06 -1.26 -4.97 119.36 114.33 1wdf n ILE 1250Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1wdf n ILE 1250Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1wdf n ILE 1250CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1wdf n ASN 1251N 0.00 -2.86 -0.62 9.51 4.13 -1.26 -5.20 115.26 118.96 1wdf n ASN 1251Ca 0.00 0.21 0.13 0.00 1.68 0.00 0.00 54.58 56.61 1wdf n ASN 1251Cb 0.00 -1.48 0.40 0.00 -1.54 0.00 0.00 39.78 37.16 1wdf n ASN 1251CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72