#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdf h GLN 970 N 0.00 0.02 -0.56 3.52 1.08 -2.03 0.17 115.11 117.30 1wdf h GLN 970 Ca 0.00 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 1wdf h GLN 970 Cb 0.00 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.33 1wdf h GLN 970 CO 0.00 0.01 0.01 0.87 -0.95 0.00 0.00 178.83 178.77 1wdf h LYS 971 N 0.02 0.12 0.41 1.46 6.56 -1.97 0.59 116.57 123.76 1wdf h LYS 971 Ca 0.21 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 1wdf h LYS 971 Cb 0.33 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1wdf h LYS 971 CO -0.44 0.08 -0.35 1.98 -2.06 0.00 0.00 179.45 178.65 1wdf h MET 972 N 0.12 -0.75 -0.62 3.15 1.85 -1.18 0.99 114.93 118.49 1wdf h MET 972 Ca 0.29 0.05 0.06 0.00 -0.61 0.00 0.00 59.70 59.49 1wdf h MET 972 Cb 0.45 0.17 -0.06 0.00 0.43 0.00 0.00 31.60 32.60 1wdf h MET 972 CO -0.47 -0.50 0.32 0.82 -0.40 0.00 0.00 176.91 176.68 1wdf h ILE 973 N -0.77 0.93 -0.43 1.77 2.04 -0.35 0.44 117.51 121.13 1wdf h ILE 973 Ca -0.04 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1wdf h ILE 973 Cb 0.68 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1wdf h ILE 973 CO -0.03 0.11 -0.14 0.00 0.00 0.00 0.00 178.15 178.09 1wdf h ALA 974 N 1.34 0.60 -0.42 1.87 0.00 0.46 0.20 119.26 123.32 1wdf h ALA 974 Ca 0.28 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wdf h ALA 974 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wdf h ALA 974 CO -0.20 0.52 0.01 1.03 0.00 0.00 0.00 179.25 180.61 1wdf h SER 975 N 0.69 0.72 -0.52 0.00 0.87 0.15 0.35 113.55 115.81 1wdf h SER 975 Ca 0.11 -0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1wdf h SER 975 Cb 0.69 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1wdf h SER 975 CO 0.05 0.84 0.31 0.00 -0.53 0.00 0.00 176.83 177.51 1wdf h ALA 976 N 0.90 0.66 0.43 6.23 0.00 0.08 0.43 119.26 127.99 1wdf h ALA 976 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wdf h ALA 976 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wdf h ALA 976 CO 0.02 0.03 -0.21 0.35 0.00 0.00 0.00 179.25 179.44 1wdf h PHE 977 N 0.63 -0.54 -0.77 0.00 3.57 -0.31 -1.96 116.94 117.57 1wdf h PHE 977 Ca 0.20 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1wdf h PHE 977 Cb 0.00 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1wdf h PHE 977 CO -0.06 -0.27 0.50 -0.91 -2.23 0.00 0.00 178.31 175.35 1wdf h ASN 978 N -0.71 0.68 -0.14 0.41 2.35 -0.83 -1.05 115.58 116.28 1wdf h ASN 978 Ca -0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wdf h ASN 978 Cb 0.51 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1wdf h ASN 978 CO 0.10 0.43 0.08 -1.13 -1.65 0.00 0.00 177.43 175.26 1wdf h ASN 979 N 0.77 0.18 0.10 5.81 -0.73 -0.66 -2.55 115.58 118.49 1wdf h ASN 979 Ca 0.34 -0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.36 1wdf h ASN 979 Cb 0.33 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1wdf h ASN 979 CO -0.12 0.18 -0.29 0.00 -0.37 0.00 0.00 177.43 176.83 1wdf h ALA 980 N 1.00 1.20 -0.38 1.57 0.00 -0.57 -2.81 119.26 119.27 1wdf h ALA 980 Ca 0.05 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1wdf h ALA 980 Cb 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1wdf h ALA 980 CO -0.01 0.52 0.03 -0.07 0.00 0.00 0.00 179.25 179.73 1wdf h LEU 981 N 0.27 -0.09 -0.23 0.00 3.38 -0.91 -0.34 115.31 117.40 1wdf h LEU 981 Ca 0.04 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1wdf h LEU 981 Cb 0.66 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1wdf h LEU 981 CO 0.05 -0.01 -0.25 1.23 0.09 0.00 0.00 178.44 179.55 1wdf h GLY 982 N 0.14 -0.19 0.50 0.83 0.00 -1.20 -1.80 103.07 101.34 1wdf h GLY 982 Ca 0.19 0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.92 1wdf h GLY 982 CO -0.28 -0.20 0.39 0.00 0.00 0.00 0.00 176.54 176.44 1wdf h ALA 983 N 0.75 1.03 0.58 3.60 0.00 -1.29 -1.26 119.26 122.67 1wdf h ALA 983 Ca 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1wdf h ALA 983 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wdf h ALA 983 CO -0.38 -0.00 -0.29 0.82 0.00 0.00 0.00 179.25 179.39 1wdf h ILE 984 N 0.65 0.40 -0.62 0.00 2.04 -0.45 0.58 117.51 120.11 1wdf h ILE 984 Ca 0.36 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.32 1wdf h ILE 984 Cb 0.36 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 1wdf h ILE 984 CO -0.26 0.00 0.23 1.56 0.00 0.00 0.00 178.15 179.69 1wdf h GLN 985 N -0.80 0.40 -0.96 2.37 4.20 -1.11 0.56 115.11 119.77 1wdf h GLN 985 Ca -0.08 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1wdf h GLN 985 Cb 0.62 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 1wdf h GLN 985 CO 0.12 0.27 0.62 -0.44 -0.67 0.00 0.00 178.83 178.72 1wdf h ASP 986 N 0.41 0.99 -0.18 1.46 5.19 -1.04 0.34 116.42 123.59 1wdf h ASP 986 Ca 0.32 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 1wdf h ASP 986 Cb 0.40 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1wdf h ASP 986 CO -0.32 0.65 0.06 1.23 -3.12 0.00 0.00 179.24 177.75 1wdf h GLY 987 N 1.14 0.30 2.00 2.75 0.00 0.21 -0.75 103.07 108.72 1wdf h GLY 987 Ca 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1wdf h GLY 987 CO -0.16 0.16 -0.24 0.74 0.00 0.00 0.00 176.54 177.04 1wdf h PHE 988 N 0.13 0.00 -0.05 5.60 0.05 0.59 -1.91 116.94 121.35 1wdf h PHE 988 Ca 0.06 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 1wdf h PHE 988 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.15 1wdf h PHE 988 CO -0.01 0.24 -0.16 -0.44 -0.18 0.00 0.00 178.31 177.76 1wdf h ASP 989 N 0.00 0.22 -0.34 2.17 3.32 -0.07 -2.43 116.42 119.30 1wdf h ASP 989 Ca -0.00 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.48 1wdf h ASP 989 Cb 0.59 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1wdf h ASP 989 CO 0.03 0.81 0.23 0.00 -1.72 0.00 0.00 179.24 178.60 1wdf h ALA 990 N 0.41 2.06 -0.15 3.45 0.00 -0.88 0.72 119.26 124.88 1wdf h ALA 990 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1wdf h ALA 990 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wdf h ALA 990 CO 0.03 -0.12 -0.49 1.15 0.00 0.00 0.00 179.25 179.82 1wdf h THR 991 N 0.21 1.34 -0.45 0.00 2.02 -1.32 -1.60 112.91 113.11 1wdf h THR 991 Ca 0.15 -1.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1wdf h THR 991 Cb 0.34 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1wdf h THR 991 CO -0.03 0.54 0.23 0.78 0.37 0.00 0.00 175.52 177.41 1wdf h ASN 992 N 0.24 0.58 -0.13 4.18 -0.26 -0.74 0.20 115.58 119.66 1wdf h ASN 992 Ca -0.02 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.62 1wdf h ASN 992 Cb 1.12 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.21 1wdf h ASN 992 CO 0.10 0.53 0.02 -1.28 -1.06 0.00 0.00 177.43 175.75 1wdf h SER 993 N 0.59 0.01 -0.24 5.81 0.87 -0.92 -0.78 113.55 118.89 1wdf h SER 993 Ca 0.16 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1wdf h SER 993 Cb 0.10 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1wdf h SER 993 CO -0.02 0.02 -0.20 0.00 -0.53 0.00 0.00 176.83 176.11 1wdf h ALA 994 N 1.09 -0.05 -0.07 6.23 0.00 -0.72 -1.05 119.26 124.69 1wdf h ALA 994 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wdf h ALA 994 Cb 0.05 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wdf h ALA 994 CO -0.08 -0.61 0.05 -0.07 0.00 0.00 0.00 179.25 178.54 1wdf h LEU 995 N -0.19 0.03 -0.40 0.00 3.38 -0.26 -1.64 115.31 116.23 1wdf h LEU 995 Ca 0.14 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1wdf h LEU 995 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wdf h LEU 995 CO -0.36 0.02 -0.47 1.23 0.09 0.00 0.00 178.44 178.95 1wdf h GLY 996 N 0.04 0.91 1.15 0.83 0.00 0.13 -2.69 103.07 103.43 1wdf h GLY 996 Ca 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.27 1wdf h GLY 996 CO -0.00 0.90 0.01 0.50 0.00 0.00 0.00 176.54 177.95 1wdf h LYS 997 N 0.66 1.02 -0.70 4.80 1.57 -0.62 -2.42 116.57 120.88 1wdf h LYS 997 Ca 0.03 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1wdf h LYS 997 Cb 1.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1wdf h LYS 997 CO 0.11 0.99 0.29 0.82 -0.57 0.00 0.00 179.45 181.08 1wdf h ILE 998 N 0.93 1.24 -0.40 1.86 2.04 -1.38 0.81 117.51 122.62 1wdf h ILE 998 Ca 0.17 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 1wdf h ILE 998 Cb 0.52 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1wdf h ILE 998 CO 0.03 0.30 -0.14 -0.61 0.00 0.00 0.00 178.15 177.73 1wdf h GLN 999 N 0.99 0.74 -0.04 2.37 4.15 -1.38 0.91 115.11 122.86 1wdf h GLN 999 Ca 0.23 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1wdf h GLN 999 Cb 0.20 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1wdf h GLN 999 CO -0.02 0.84 -0.02 1.03 -1.93 0.00 0.00 178.83 178.73 1wdf h SER 1000N 0.66 0.09 -0.00 -0.69 0.87 -1.04 -2.47 113.55 110.98 1wdf h SER 1000Ca 0.11 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1wdf h SER 1000Cb 0.62 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1wdf h SER 1000CO 0.04 0.50 -0.00 0.58 -0.53 0.00 0.00 176.83 177.42 1wdf h VAL 1001N -0.33 1.42 -0.71 2.23 2.07 -0.76 -2.53 116.25 117.64 1wdf h VAL 1001Ca 0.01 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1wdf h VAL 1001Cb 0.47 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1wdf h VAL 1001CO 0.01 0.32 0.46 0.58 0.02 0.00 0.00 177.57 178.96 1wdf h VAL 1002N -0.53 1.19 -0.29 2.57 2.07 -0.94 -1.61 116.25 118.71 1wdf h VAL 1002Ca 0.00 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1wdf h VAL 1002Cb 0.53 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1wdf h VAL 1002CO 0.00 0.18 -0.07 0.78 0.02 0.00 0.00 177.57 178.48 1wdf h ASN 1003N 0.96 0.57 -0.86 0.57 2.35 -1.53 -0.13 115.58 117.52 1wdf h ASN 1003Ca 0.26 -0.36 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1wdf h ASN 1003Cb -0.09 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.07 1wdf h ASN 1003CO -0.05 0.81 0.56 0.00 -1.65 0.00 0.00 177.43 177.09 1wdf h ALA 1004N 0.79 1.56 0.00 -0.83 0.00 -1.33 0.36 119.26 119.81 1wdf h ALA 1004Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1wdf h ALA 1004Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wdf h ALA 1004CO 0.03 0.31 -0.61 -0.91 0.00 0.00 0.00 179.25 178.07 1wdf h ASN 1005N 0.96 0.00 -0.06 0.00 4.21 -0.99 -1.86 115.58 117.84 1wdf h ASN 1005Ca 0.37 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.78 1wdf h ASN 1005Cb 0.21 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1wdf h ASN 1005CO -0.13 0.61 -0.35 0.00 -1.29 0.00 0.00 177.43 176.27 1wdf h ALA 1006N 1.39 0.12 -0.40 -0.83 0.00 0.21 -2.58 119.26 117.17 1wdf h ALA 1006Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1wdf h ALA 1006Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1wdf h ALA 1006CO 0.08 0.20 0.19 1.49 0.00 0.00 0.00 179.25 181.21 1wdf h GLU 1007N -0.17 0.56 -0.20 0.00 4.57 -0.26 0.13 114.58 119.20 1wdf h GLU 1007Ca -0.03 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 57.89 1wdf h GLU 1007Cb 1.02 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1wdf h GLU 1007CO 0.07 0.44 -0.66 0.00 -1.18 0.00 0.00 179.01 177.68 1wdf h ALA 1008N 1.65 0.44 -0.68 2.92 0.00 -1.36 -2.03 119.26 120.21 1wdf h ALA 1008Ca 0.14 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1wdf h ALA 1008Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1wdf h ALA 1008CO -0.02 0.69 0.22 1.25 0.00 0.00 0.00 179.25 181.39 1wdf h LEU 1009N 0.56 0.98 -0.91 0.00 5.85 -0.89 -0.45 115.31 120.44 1wdf h LEU 1009Ca -0.02 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1wdf h LEU 1009Cb 1.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1wdf h LEU 1009CO 0.14 0.93 0.16 -1.13 -0.34 0.00 0.00 178.44 178.19 1wdf h ASN 1010N 0.99 0.90 0.37 1.25 -0.73 -0.69 -1.07 115.58 116.59 1wdf h ASN 1010Ca 0.22 -0.17 -0.13 0.00 1.87 0.00 0.00 56.30 58.09 1wdf h ASN 1010Cb 0.29 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1wdf h ASN 1010CO -0.01 0.86 -0.54 0.78 -0.37 0.00 0.00 177.43 178.15 1wdf h ASN 1011N 0.92 0.20 -0.55 1.15 2.35 -1.05 -2.35 115.58 116.25 1wdf h ASN 1011Ca 0.20 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1wdf h ASN 1011Cb 0.31 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1wdf h ASN 1011CO -0.00 0.71 0.12 0.25 -1.65 0.00 0.00 177.43 176.86 1wdf h LEU 1012N 0.14 0.84 -0.78 1.61 5.85 -0.50 -1.82 115.31 120.66 1wdf h LEU 1012Ca 0.00 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1wdf h LEU 1012Cb 1.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1wdf h LEU 1012CO 0.08 0.87 0.49 -0.07 -0.34 0.00 0.00 178.44 179.47 1wdf h LEU 1013N 0.78 0.80 -0.61 2.25 3.38 -0.85 0.14 115.31 121.20 1wdf h LEU 1013Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1wdf h LEU 1013Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wdf h LEU 1013CO 0.00 0.55 -0.50 0.78 0.09 0.00 0.00 178.44 179.36 1wdf h ASN 1014N 0.95 0.54 -0.22 -0.43 2.35 -1.26 -2.62 115.58 114.89 1wdf h ASN 1014Ca 0.32 -0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1wdf h ASN 1014Cb 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1wdf h ASN 1014CO -0.12 0.95 -0.52 1.56 -1.65 0.00 0.00 177.43 177.65 1wdf h GLN 1015N 0.39 0.74 -0.60 0.81 4.20 -0.84 -3.07 115.11 116.75 1wdf h GLN 1015Ca 0.02 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1wdf h GLN 1015Cb 1.02 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 1wdf h GLN 1015CO 0.09 1.12 0.37 -0.07 -0.67 0.00 0.00 178.83 179.68 1wdf h LEU 1016N 0.47 0.70 -0.62 1.46 3.38 -0.68 0.23 115.31 120.24 1wdf h LEU 1016Ca -0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wdf h LEU 1016Cb 1.13 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1wdf h LEU 1016CO 0.11 0.54 0.37 0.77 0.09 0.00 0.00 178.44 180.32 1wdf h SER 1017N 0.81 0.60 -0.14 -0.43 4.64 -1.49 0.19 113.55 117.72 1wdf h SER 1017Ca 0.22 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1wdf h SER 1017Cb -0.05 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1wdf h SER 1017CO -0.04 0.41 -0.07 0.78 -0.87 0.00 0.00 176.83 177.04 1wdf h ASN 1018N 0.73 0.31 -0.41 4.97 2.35 -1.37 -3.15 115.58 119.00 1wdf h ASN 1018Ca 0.26 -0.41 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1wdf h ASN 1018Cb 0.06 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 1wdf h ASN 1018CO -0.12 0.65 -0.07 0.03 -1.65 0.00 0.00 177.43 176.27 1wdf h ARG 1019N -0.04 0.03 0.00 0.81 2.47 -0.10 0.92 114.38 118.48 1wdf h ARG 1019Ca 0.03 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1wdf h ARG 1019Cb 0.53 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1wdf h ARG 1019CO 0.02 0.02 0.00 1.19 0.56 0.00 0.00 179.97 181.76 1wdf n PHE 1020N -5.28 0.00 -1.64 3.04 0.99 0.64 -3.60 117.46 111.61 1wdf n PHE 1020Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.15 1wdf n PHE 1020Cb 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.66 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 -0.42 4.59 0.00 1.37 0.00 0.32 -4.78 105.19 106.26 1wdf n GLY 1021Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 1.74 0.00 -2.87 4.61 0.00 -1.24 -5.12 120.51 117.63 1wdf n ALA 1022Ca 0.58 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 1wdf n ALA 1022Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1wdf n ALA 1022CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wdf s ASP 1216N 0.00 6.39 -0.52 0.00 1.47 -1.26 -5.18 116.67 117.57 1wdf s ASP 1216Ca 0.00 0.37 0.02 0.00 1.18 0.00 0.00 52.55 54.12 1wdf s ASP 1216Cb 0.00 -2.01 0.59 0.00 -0.34 0.00 0.00 42.92 41.16 1wdf s ASP 1216CO 0.00 0.21 1.93 0.18 0.68 0.00 0.00 175.17 178.18 1wdf n LEU 1217N 0.68 6.96 -4.58 2.11 4.77 -1.26 -4.93 117.00 120.75 1wdf n LEU 1217Ca -0.08 -3.87 -0.43 0.00 -0.03 0.00 0.00 56.01 51.60 1wdf n LEU 1217Cb 0.52 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1wdf n LEU 1217CO 0.47 1.22 0.89 -0.55 -1.33 0.00 0.00 177.39 178.08 1wdf s SER 1218N -1.56 6.57 0.50 -1.43 0.15 -1.26 -4.90 113.70 111.77 1wdf s SER 1218Ca 0.59 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 57.34 1wdf s SER 1218Cb 0.49 -2.50 -0.09 0.00 -1.71 0.00 0.00 66.02 62.20 1wdf s SER 1218CO 0.06 -1.14 0.75 0.18 1.20 0.00 0.00 173.24 174.29 1wdf n LEU 1219N 7.48 1.67 -4.44 3.45 4.77 -1.26 -4.93 117.00 123.74 1wdf n LEU 1219Ca 0.09 0.87 -0.44 0.00 -0.03 0.00 0.00 56.01 56.51 1wdf n LEU 1219Cb 0.49 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1wdf n LEU 1219CO 0.68 -2.34 0.38 -0.62 -1.33 0.00 0.00 177.39 174.16 1wdf s ASP 1220N -1.01 6.22 0.00 -1.43 2.15 -1.26 -4.92 116.67 116.42 1wdf s ASP 1220Ca 0.67 -0.95 0.29 0.00 0.43 0.00 0.00 52.55 52.98 1wdf s ASP 1220Cb -0.51 -2.30 1.59 0.00 -0.30 0.00 0.00 42.92 41.40 1wdf s ASP 1220CO 0.54 -0.96 2.04 0.49 -0.17 0.00 0.00 175.17 177.11 1wdf n PHE 1221N 6.32 0.01 0.29 -5.34 3.01 -1.26 -3.40 117.46 117.09 1wdf n PHE 1221Ca -0.06 -0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.55 1wdf n PHE 1221Cb 0.45 0.00 0.59 0.00 -0.01 0.00 0.00 39.48 40.51 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 0.46 0.00 0.00 -1.08 4.57 -2.03 -3.19 114.58 113.31 1wdf h GLU 1222Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wdf h GLU 1222Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1wdf h GLU 1222CO 0.00 0.00 -0.02 0.36 -1.18 0.00 0.00 179.01 178.17 1wdf n LYS 1223N -2.99 1.98 -2.16 1.92 2.85 -1.22 -4.73 118.16 113.82 1wdf n LYS 1223Ca 0.01 -1.93 -0.28 0.00 -1.05 0.00 0.00 58.31 55.07 1wdf n LYS 1223Cb 0.33 -1.19 0.02 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.88 5.35 -4.69 -5.58 4.77 -1.21 -5.04 117.00 109.73 1wdf n LEU 1224Ca 0.07 -4.94 -0.42 0.00 -0.03 0.00 0.00 56.01 50.69 1wdf n LEU 1224Cb 0.45 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1wdf n LEU 1224CO 0.00 2.08 0.98 0.21 -1.33 0.00 0.00 177.39 179.33 1wdf s ASN 1225N -3.15 7.02 -0.21 -1.43 3.04 -1.26 -5.01 114.94 113.94 1wdf s ASN 1225Ca 0.51 1.84 -0.03 0.00 0.04 0.00 0.00 52.86 55.22 1wdf s ASN 1225Cb 0.42 -2.56 -0.00 0.00 -1.54 0.00 0.00 41.25 37.57 1wdf s ASN 1225CO -0.12 -0.61 -0.08 -0.69 -3.04 0.00 0.00 177.10 172.56 1wdf s VAL 1226N 2.31 3.07 0.11 -5.21 1.01 -1.26 -5.11 120.40 115.31 1wdf s VAL 1226Ca 0.57 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1wdf s VAL 1226Cb -0.25 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1wdf s VAL 1226CO 0.22 0.45 0.14 0.41 0.00 0.00 0.00 175.10 176.32 1wdf n THR 1227N 4.76 0.00 -3.04 3.92 -1.04 -1.26 -5.10 114.28 112.52 1wdf n THR 1227Ca -0.19 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1wdf n THR 1227Cb 0.51 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1wdf n THR 1227CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wdf n LEU 1228N 0.00 0.00 0.00 -4.42 4.77 -1.26 -4.87 117.00 111.22 1wdf n LEU 1228Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wdf n LEU 1228Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1wdf n LEU 1228CO 0.06 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.30 1wdf n LEU 1229N 0.00 0.00 -2.09 2.23 4.77 -1.26 -5.06 117.00 115.59 1wdf n LEU 1229Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wdf n LEU 1229Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wdf n LEU 1229CO 0.00 0.00 -0.36 0.47 -1.33 0.00 0.00 177.39 176.17 1wdf n ASP 1230N 0.00 -6.86 0.00 -1.43 8.00 -1.26 -5.02 116.55 109.98 1wdf n ASP 1230Ca 0.00 1.46 0.00 0.00 0.71 0.00 0.00 54.79 56.96 1wdf n ASP 1230Cb 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 1wdf n ASP 1230CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wdf n LEU 1231N 1.88 0.00 0.09 0.64 4.77 -1.26 -4.89 117.00 118.22 1wdf n LEU 1231Ca 0.00 -0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1wdf n LEU 1231Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 1wdf n LEU 1231CO 0.00 0.35 0.77 0.74 -1.33 0.00 0.00 177.39 177.92 1wdf h THR 1232N 2.16 1.25 0.08 -5.08 2.02 -1.96 1.24 112.91 112.61 1wdf h THR 1232Ca 0.00 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.04 1wdf h THR 1232Cb 0.79 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1wdf h THR 1232CO 0.00 0.35 -0.10 0.22 0.37 0.00 0.00 175.52 176.36 1wdf h TYR 1233N 0.26 -0.26 -0.06 3.16 3.20 -1.99 0.47 116.97 121.76 1wdf h TYR 1233Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1wdf h TYR 1233Cb 0.59 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1wdf h TYR 1233CO 0.01 -0.16 0.02 0.93 -1.64 0.00 0.00 178.16 177.32 1wdf h GLU 1234N -0.21 0.04 -0.49 1.82 3.07 -1.75 -0.09 114.58 116.97 1wdf h GLU 1234Ca 0.01 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1wdf h GLU 1234Cb 0.22 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.02 1wdf h GLU 1234CO -0.05 0.03 -0.20 1.98 -1.40 0.00 0.00 179.01 179.37 1wdf h MET 1235N 0.05 -0.08 -0.29 2.33 4.05 0.21 -0.09 114.93 121.11 1wdf h MET 1235Ca 0.02 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1wdf h MET 1235Cb 0.01 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1wdf h MET 1235CO -0.03 -0.06 -0.29 -0.91 0.23 0.00 0.00 176.91 175.86 1wdf h ASN 1236N -0.09 0.61 -0.54 1.39 2.35 0.23 -1.22 115.58 118.31 1wdf h ASN 1236Ca 0.23 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1wdf h ASN 1236Cb 0.45 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1wdf h ASN 1236CO -0.55 0.87 0.29 -0.09 -1.65 0.00 0.00 177.43 176.30 1wdf h ARG 1237N 0.51 0.76 -0.14 0.81 9.65 0.23 -0.31 114.38 125.89 1wdf h ARG 1237Ca 0.06 -0.09 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 1wdf h ARG 1237Cb 0.77 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1wdf h ARG 1237CO 0.06 0.60 -0.45 0.82 2.80 0.00 0.00 179.97 183.80 1wdf h ILE 1238N 0.73 1.32 -0.55 1.20 2.04 -0.95 -2.51 117.51 118.80 1wdf h ILE 1238Ca 0.19 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1wdf h ILE 1238Cb 0.06 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1wdf h ILE 1238CO -0.03 0.49 0.15 -0.61 0.00 0.00 0.00 178.15 178.15 1wdf h GLN 1239N 0.28 0.83 0.19 2.37 5.75 -0.47 -2.13 115.11 121.94 1wdf h GLN 1239Ca 0.02 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1wdf h GLN 1239Cb 0.90 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1wdf h GLN 1239CO 0.07 0.74 -0.09 -0.44 -2.65 0.00 0.00 178.83 176.46 1wdf h ASP 1240N 0.81 -0.22 -0.93 -0.69 3.32 -0.81 -2.87 116.42 115.03 1wdf h ASP 1240Ca 0.18 -0.26 0.25 0.00 0.02 0.00 0.00 57.03 57.22 1wdf h ASP 1240Cb 0.27 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 39.74 1wdf h ASP 1240CO -0.00 0.18 0.40 0.00 -1.72 0.00 0.00 179.24 178.09 1wdf h ALA 1241N 0.02 1.55 -0.63 3.45 0.00 -1.29 1.02 119.26 123.38 1wdf h ALA 1241Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1wdf h ALA 1241Cb 0.47 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1wdf h ALA 1241CO 0.04 -0.44 0.29 0.82 0.00 0.00 0.00 179.25 179.96 1wdf h ILE 1242N 0.33 1.21 -0.02 0.00 2.04 -1.31 0.37 117.51 120.13 1wdf h ILE 1242Ca 0.61 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1wdf h ILE 1242Cb 1.26 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1wdf h ILE 1242CO -0.59 0.25 -0.08 0.11 0.00 0.00 0.00 178.15 177.84 1wdf h LYS 1243N 0.88 0.09 0.00 2.37 1.57 0.11 -2.71 116.57 118.89 1wdf h LYS 1243Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1wdf h LYS 1243Cb 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1wdf h LYS 1243CO -0.03 0.70 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.30 1wdf h LYS 1244N -0.49 0.00 -0.26 3.15 3.64 -0.45 0.43 116.57 122.59 1wdf h LYS 1244Ca -0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1wdf h LYS 1244Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1wdf h LYS 1244CO 0.02 0.03 -0.44 1.25 -2.27 0.00 0.00 179.45 178.04 1wdf h LEU 1245N 0.00 0.71 -1.55 5.20 5.85 -0.85 -2.72 115.31 121.96 1wdf h LEU 1245Ca -0.00 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1wdf h LEU 1245Cb 0.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1wdf h LEU 1245CO 0.00 1.05 -0.24 0.78 -0.34 0.00 0.00 178.44 179.70 1wdf h ASN 1246N 0.54 0.00 0.00 1.25 2.35 -0.59 -1.01 115.58 118.11 1wdf h ASN 1246Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1wdf h ASN 1246Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1wdf h ASN 1246CO 0.09 0.24 0.00 -0.62 -1.65 0.00 0.00 177.43 175.49 1wdf n GLU 1247N -4.14 0.88 0.00 0.81 1.02 -0.98 -3.27 120.64 114.96 1wdf n GLU 1247Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1wdf n GLU 1247Cb 0.30 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1wdf n GLU 1247CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wdf n SER 1248N -0.86 0.91 -4.74 1.62 7.64 -0.38 -5.00 113.62 112.80 1wdf n SER 1248Ca 0.15 -0.95 -0.42 0.00 1.01 0.00 0.00 58.87 58.66 1wdf n SER 1248Cb 0.07 0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1wdf n SER 1248CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1wdf n TYR 1249N -0.87 2.71 -3.45 1.43 4.02 -1.20 -4.95 117.16 114.85 1wdf n TYR 1249Ca 0.04 0.47 -0.38 0.00 -0.01 0.00 0.00 57.90 58.02 1wdf n TYR 1249Cb 0.22 -2.50 -0.06 0.00 -0.02 0.00 0.00 39.34 36.99 1wdf n TYR 1249CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wdf s ILE 1250N -0.98 5.13 -0.54 -0.72 1.01 -1.26 -5.03 121.20 118.80 1wdf s ILE 1250Ca 0.55 0.82 -0.28 0.00 0.00 0.00 0.00 60.65 61.75 1wdf s ILE 1250Cb -0.51 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1wdf s ILE 1250CO 0.62 0.47 1.13 0.21 0.00 0.00 0.00 174.94 177.36 1wdf s ASN 1251N -0.28 6.48 0.60 3.58 3.04 -1.26 -4.88 114.94 122.22 1wdf s ASN 1251Ca 0.23 0.14 0.35 0.00 0.04 0.00 0.00 52.86 53.63 1wdf s ASN 1251Cb -0.16 -2.53 1.93 0.00 -1.54 0.00 0.00 41.25 38.95 1wdf s ASN 1251CO 0.11 -1.36 2.23 -0.07 -3.04 0.00 0.00 177.10 174.96 1wdf h LEU 1252N 11.54 0.00 -1.02 3.21 3.38 -1.97 -1.07 115.31 129.39 1wdf h LEU 1252Ca -0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1wdf h LEU 1252Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1wdf h LEU 1252CO 1.15 0.03 -0.47 0.50 0.09 0.00 0.00 178.44 179.74 1wdf h LYS 1253N 0.00 0.00 0.00 1.13 3.11 -2.04 -3.48 116.57 115.28 1wdf h LYS 1253Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1wdf h LYS 1253Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1wdf h LYS 1253CO 0.00 0.47 0.00 0.39 -2.81 0.00 0.00 179.45 177.51