#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm s ALA 916 N 0.00 3.05 0.07 -5.12 0.00 -1.26 -5.03 121.76 113.46 1ktm s ALA 916 Ca 0.00 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 1ktm s ALA 916 Cb 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1ktm s ALA 916 CO 0.00 -0.11 0.67 -0.80 0.00 0.00 0.00 175.76 175.52 1ktm s ASN 917 N -2.71 7.15 -0.34 0.00 -0.87 -1.26 -5.04 114.94 111.87 1ktm s ASN 917 Ca 0.60 1.37 0.03 0.00 -1.57 0.00 0.00 52.86 53.29 1ktm s ASN 917 Cb -0.10 -2.42 0.10 0.00 -0.02 0.00 0.00 41.25 38.82 1ktm s ASN 917 CO 0.24 0.16 0.08 -0.76 -2.57 0.00 0.00 177.10 174.25 1ktm s LEU 918 N -0.66 3.96 0.00 0.60 1.02 -1.26 -5.11 118.68 117.24 1ktm s LEU 918 Ca 0.33 -2.06 0.00 0.00 0.02 0.00 0.00 54.13 52.42 1ktm s LEU 918 Cb -0.20 -1.39 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1ktm s LEU 918 CO 0.21 -0.38 0.00 -0.67 0.02 0.00 0.00 176.35 175.53 1ktm n ASP 919 N 4.35 -0.77 -0.96 2.29 2.03 -1.26 -4.88 116.55 117.36 1ktm n ASP 919 Ca 0.02 -0.42 0.03 0.00 0.52 0.00 0.00 54.79 54.95 1ktm n ASP 919 Cb 0.41 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.97 1ktm n ASP 919 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ktm n ARG 920 N -1.18 2.40 -0.04 -0.67 1.85 -1.26 -4.01 116.66 113.76 1ktm n ARG 920 Ca 0.00 -1.26 -0.01 0.00 -1.00 0.00 0.00 57.85 55.58 1ktm n ARG 920 Cb 0.00 -1.68 -0.00 0.00 -1.05 0.00 0.00 32.46 29.73 1ktm n ARG 920 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1ktm h SER 921 N 1.70 0.00 0.43 2.89 0.02 -1.98 -3.23 113.55 113.38 1ktm h SER 921 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ktm h SER 921 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1ktm h SER 921 CO 0.16 0.39 0.00 -0.46 -1.14 0.00 0.00 176.83 175.78 1ktm n ASN 922 N -3.94 0.00 0.07 3.07 6.94 -1.26 -1.98 115.26 118.17 1ktm n ASN 922 Ca -0.01 0.31 -0.13 0.00 -0.02 0.00 0.00 54.58 54.73 1ktm n ASN 922 Cb 0.04 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.01 1ktm n ASN 922 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1ktm h ASP 923 N 0.00 0.48 0.14 0.53 3.58 -1.70 -1.26 116.42 118.19 1ktm h ASP 923 Ca 0.00 -0.40 -0.19 0.00 0.42 0.00 0.00 57.03 56.86 1ktm h ASP 923 Cb 0.22 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.14 1ktm h ASP 923 CO 0.00 1.21 -0.82 0.50 -2.88 0.00 0.00 179.24 177.25 1ktm h LYS 924 N 0.19 0.32 -0.11 0.28 3.11 -1.41 -2.03 116.57 116.92 1ktm h LYS 924 Ca -0.08 -0.52 0.01 0.00 -2.81 0.00 0.00 60.65 57.25 1ktm h LYS 924 Cb 1.61 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 33.02 1ktm h LYS 924 CO 0.16 1.24 0.02 0.28 -2.81 0.00 0.00 179.45 178.34 1ktm h VAL 925 N -0.33 0.94 0.00 2.00 2.07 -1.56 0.24 116.25 119.61 1ktm h VAL 925 Ca -0.14 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1ktm h VAL 925 Cb 1.64 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1ktm h VAL 925 CO 0.16 0.01 -0.26 1.88 0.02 0.00 0.00 177.57 179.38 1ktm h TYR 926 N 0.06 0.00 0.11 1.57 -1.99 -1.33 -1.66 116.97 113.74 1ktm h TYR 926 Ca 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1ktm h TYR 926 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1ktm h TYR 926 CO -0.12 0.26 -0.05 0.93 -0.00 0.00 0.00 178.16 179.18 1ktm h GLU 927 N 0.00 -0.15 -0.17 4.88 4.39 -0.51 -1.84 114.58 121.18 1ktm h GLU 927 Ca -0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1ktm h GLU 927 Cb 0.47 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1ktm h GLU 927 CO 0.03 0.29 -0.08 -0.91 -1.16 0.00 0.00 179.01 177.18 1ktm h ASN 928 N -0.65 -0.26 -0.15 1.42 -0.26 -0.42 0.86 115.58 116.13 1ktm h ASN 928 Ca -0.02 0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.84 1ktm h ASN 928 Cb 0.50 0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 37.85 1ktm h ASN 928 CO 0.03 -0.10 -0.36 0.58 -1.06 0.00 0.00 177.43 176.52 1ktm h VAL 929 N -0.06 0.23 0.43 2.81 2.07 -1.34 0.18 116.25 120.57 1ktm h VAL 929 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1ktm h VAL 929 Cb 0.20 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ktm h VAL 929 CO -0.21 0.00 -0.21 0.71 0.02 0.00 0.00 177.57 177.88 1ktm h THR 930 N -0.42 0.00 -0.81 2.57 1.35 -0.78 0.09 112.91 114.91 1ktm h THR 930 Ca 0.09 -0.01 0.13 0.00 -0.55 0.00 0.00 66.41 66.08 1ktm h THR 930 Cb 0.58 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.86 1ktm h THR 930 CO -0.38 0.00 -0.30 0.61 -0.25 0.00 0.00 175.52 175.20 1ktm n GLY 931 N -1.24 -1.63 0.16 5.82 0.00 0.29 0.22 105.19 108.81 1ktm n GLY 931 Ca -0.07 0.90 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 1ktm n GLY 931 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ktm h LEU 932 N 0.00 -0.30 0.44 0.99 8.10 -0.58 -2.02 115.31 121.95 1ktm h LEU 932 Ca 0.30 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.30 1ktm h LEU 932 Cb 0.50 0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.81 1ktm h LEU 932 CO -0.81 -0.18 -0.36 0.58 -4.11 0.00 0.00 178.44 173.56 1ktm h VAL 933 N -0.27 0.27 -1.26 0.15 2.07 0.29 0.15 116.25 117.66 1ktm h VAL 933 Ca -0.00 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.98 1ktm h VAL 933 Cb 0.25 0.27 -0.15 0.00 -1.52 0.00 0.00 31.29 30.14 1ktm h VAL 933 CO -0.02 0.00 0.78 0.11 0.02 0.00 0.00 177.57 178.45 1ktm h LYS 934 N -0.79 0.01 0.00 1.57 1.57 0.28 1.17 116.57 120.37 1ktm h LYS 934 Ca -0.04 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ktm h LYS 934 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ktm h LYS 934 CO -0.01 0.00 -0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1ktm h ALA 935 N 1.73 -0.00 -0.73 3.86 0.00 -0.44 -1.38 119.26 122.30 1ktm h ALA 935 Ca 0.87 -0.39 0.27 0.00 0.00 0.00 0.00 54.91 55.67 1ktm h ALA 935 Cb 2.65 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 20.30 1ktm h ALA 935 CO -0.57 -0.11 0.28 1.55 0.00 0.00 0.00 179.25 180.40 1ktm n VAL 936 N -4.72 -0.31 -0.02 0.00 3.14 0.40 0.14 118.33 116.96 1ktm n VAL 936 Ca -0.09 1.52 -0.01 0.00 -2.96 0.00 0.00 64.34 62.80 1ktm n VAL 936 Cb 0.38 -2.39 -0.00 0.00 -1.06 0.00 0.00 33.84 30.77 1ktm n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1ktm h ILE 937 N 0.00 0.00 -0.74 1.55 2.04 -1.42 -3.30 117.51 115.64 1ktm h ILE 937 Ca 0.57 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 66.26 1ktm h ILE 937 Cb 1.42 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.37 1ktm h ILE 937 CO -0.60 0.00 -0.26 1.21 0.00 0.00 0.00 178.15 178.50 1ktm n GLU 938 N -2.86 -0.15 -0.11 2.37 4.07 -0.25 0.38 120.64 124.09 1ktm n GLU 938 Ca -0.01 1.14 -0.12 0.00 -0.06 0.00 0.00 57.16 58.10 1ktm n GLU 938 Cb 0.03 -1.69 -0.09 0.00 -0.06 0.00 0.00 31.44 29.64 1ktm n GLU 938 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1ktm h MET 939 N 0.00 -0.36 -1.21 5.31 4.05 0.10 0.36 114.93 123.18 1ktm h MET 939 Ca 0.28 0.02 0.42 0.00 -0.28 0.00 0.00 59.70 60.14 1ktm h MET 939 Cb 0.46 0.08 -0.14 0.00 -0.80 0.00 0.00 31.60 31.20 1ktm h MET 939 CO -0.74 -0.24 0.74 0.77 0.23 0.00 0.00 176.91 177.68 1ktm h SER 940 N -0.37 0.30 0.41 1.39 0.02 -0.16 1.72 113.55 116.85 1ktm h SER 940 Ca 0.06 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1ktm h SER 940 Cb 0.54 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1ktm h SER 940 CO -0.51 -0.24 -0.20 -1.28 -1.14 0.00 0.00 176.83 173.46 1ktm h SER 941 N 0.09 -0.47 -0.38 3.07 0.87 0.09 -2.73 113.55 114.09 1ktm h SER 941 Ca 0.82 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 61.18 1ktm h SER 941 Cb 2.40 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 64.41 1ktm h SER 941 CO -0.53 -0.16 0.14 2.29 -0.53 0.00 0.00 176.83 178.04 1ktm n LYS 942 N -5.24 2.44 -0.10 2.24 2.85 0.19 -3.99 118.16 116.55 1ktm n LYS 942 Ca -0.11 -1.57 -0.17 0.00 -1.05 0.00 0.00 58.31 55.41 1ktm n LYS 942 Cb 0.28 -1.77 -0.07 0.00 -0.65 0.00 0.00 35.03 32.82 1ktm n LYS 942 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1ktm n ILE 943 N 0.05 1.50 -0.24 0.58 0.00 0.53 -2.37 119.36 119.40 1ktm n ILE 943 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 62.75 62.95 1ktm n ILE 943 Cb 0.88 -2.15 0.08 0.00 0.00 0.00 0.00 39.64 38.46 1ktm n ILE 943 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ktm h GLN 944 N -1.00 0.00 -0.01 9.51 4.15 -1.68 -1.85 115.11 124.22 1ktm h GLN 944 Ca -0.28 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 1ktm h GLN 944 Cb 1.11 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1ktm h GLN 944 CO -0.17 0.00 -0.21 -1.00 -1.93 0.00 0.00 178.83 175.52 1ktm h PRO 945 N 0.00 0.16 -5.12 -2.39 0.13 -1.78 -3.46 132.00 119.54 1ktm h PRO 945 Ca 0.34 -0.16 -0.62 0.00 -0.87 0.00 0.00 66.00 64.69 1ktm h PRO 945 Cb 0.52 0.04 0.07 0.00 0.13 0.00 0.00 31.00 31.76 1ktm h PRO 945 CO -0.72 0.87 -0.21 0.00 -0.23 0.00 0.00 178.00 177.71 1ktm n ALA 946 N -2.51 -2.89 -1.52 -0.56 0.00 -0.70 -4.91 120.51 107.42 1ktm n ALA 946 Ca -0.09 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1ktm n ALA 946 Cb 0.47 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.69 1ktm n ALA 946 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ktm s PRO 947 N -0.44 -0.22 0.49 0.00 0.04 -1.26 -4.85 135.00 128.77 1ktm s PRO 947 Ca 0.66 -0.22 0.28 0.00 0.04 0.00 0.00 61.00 61.76 1ktm s PRO 947 Cb -0.94 -1.73 0.87 0.00 0.04 0.00 0.00 34.50 32.74 1ktm s PRO 947 CO 0.48 -3.02 1.80 -1.00 0.04 0.00 0.00 177.00 175.30 1ktm h PRO 948 N -2.08 0.00 0.00 0.56 0.13 -1.91 -1.50 132.00 127.20 1ktm h PRO 948 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 1ktm h PRO 948 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ktm h PRO 948 CO 0.37 0.00 -1.05 1.05 -0.23 0.00 0.00 178.00 178.14 1ktm h GLU 949 N 0.00 0.00 -0.00 0.86 4.11 -1.95 -3.12 114.58 114.48 1ktm h GLU 949 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ktm h GLU 949 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ktm h GLU 949 CO 0.00 0.75 -0.53 -1.91 0.07 0.00 0.00 179.01 177.40 1ktm n GLU 950 N -3.23 0.33 -0.06 1.06 4.07 -1.12 -4.18 120.64 117.51 1ktm n GLU 950 Ca -0.03 -0.22 -0.17 0.00 -0.06 0.00 0.00 57.16 56.67 1ktm n GLU 950 Cb 0.91 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.67 1ktm n GLU 950 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1ktm h TYR 951 N 0.54 0.08 -0.73 4.31 5.03 -1.29 -1.24 116.97 123.67 1ktm h TYR 951 Ca 0.00 -0.06 0.16 0.00 2.58 0.00 0.00 58.73 61.42 1ktm h TYR 951 Cb 0.53 -0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.68 1ktm h TYR 951 CO 0.00 1.21 0.03 0.28 -1.32 0.00 0.00 178.16 178.36 1ktm h VAL 952 N -0.90 0.39 0.15 1.81 2.07 -1.71 -2.10 116.25 115.97 1ktm h VAL 952 Ca -0.14 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1ktm h VAL 952 Cb 1.20 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ktm h VAL 952 CO -0.05 0.02 -0.07 1.55 0.02 0.00 0.00 177.57 179.04 1ktm h PRO 953 N 0.13 -0.19 -0.40 1.57 0.13 -1.73 -2.98 132.00 128.52 1ktm h PRO 953 Ca 0.40 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.58 1ktm h PRO 953 Cb 0.69 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1ktm h PRO 953 CO -0.62 0.18 -0.24 -1.33 -0.23 0.00 0.00 178.00 175.76 1ktm n MET 954 N -4.89 -0.18 0.14 0.86 2.81 -0.47 0.19 117.12 115.57 1ktm n MET 954 Ca -0.06 0.65 -0.14 0.00 -1.81 0.00 0.00 57.70 56.34 1ktm n MET 954 Cb 0.23 -0.96 -0.08 0.00 -0.71 0.00 0.00 33.22 31.70 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ktm h VAL 955 N 0.00 0.82 -1.43 2.03 2.07 -1.53 -1.51 116.25 116.69 1ktm h VAL 955 Ca 0.06 -0.10 0.42 0.00 0.82 0.00 0.00 66.70 67.91 1ktm h VAL 955 Cb 0.16 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1ktm h VAL 955 CO -0.38 0.02 1.00 0.11 0.02 0.00 0.00 177.57 178.34 1ktm h LYS 956 N -0.32 0.07 0.10 1.57 1.57 0.22 0.76 116.57 120.53 1ktm h LYS 956 Ca -0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ktm h LYS 956 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ktm h LYS 956 CO 0.05 0.04 -0.05 1.49 -0.57 0.00 0.00 179.45 180.41 1ktm h GLU 957 N 0.07 -0.13 -0.96 3.15 4.22 0.10 -2.27 114.58 118.76 1ktm h GLU 957 Ca 0.74 0.01 0.21 0.00 0.08 0.00 0.00 59.36 60.40 1ktm h GLU 957 Cb 2.69 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 31.89 1ktm h GLU 957 CO -0.15 0.16 0.62 -0.24 -2.18 0.00 0.00 179.01 177.22 1ktm h VAL 958 N -0.42 0.66 -0.47 0.32 3.04 0.69 0.25 116.25 120.31 1ktm h VAL 958 Ca -0.01 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.45 1ktm h VAL 958 Cb 0.35 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 1ktm h VAL 958 CO 0.02 0.09 0.09 1.23 -1.01 0.00 0.00 177.57 177.99 1ktm h GLY 959 N 0.49 0.84 1.15 3.17 0.00 -1.06 0.23 103.07 107.89 1ktm h GLY 959 Ca 0.52 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1ktm h GLY 959 CO -0.24 0.51 0.45 -2.00 0.00 0.00 0.00 176.54 175.26 1ktm h LEU 960 N 0.65 1.00 -0.25 3.11 6.46 -0.01 0.41 115.31 126.67 1ktm h LEU 960 Ca 0.15 -0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.71 1ktm h LEU 960 Cb 0.37 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1ktm h LEU 960 CO 0.01 0.80 -0.31 0.00 -0.62 0.00 0.00 178.44 178.31 1ktm h ALA 961 N 1.37 0.38 -0.38 1.25 0.00 -0.82 -2.46 119.26 118.60 1ktm h ALA 961 Ca 0.29 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ktm h ALA 961 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ktm h ALA 961 CO -0.05 0.41 0.07 1.25 0.00 0.00 0.00 179.25 180.93 1ktm h LEU 962 N 0.38 0.52 0.73 0.00 6.46 0.07 -2.22 115.31 121.25 1ktm h LEU 962 Ca 0.03 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1ktm h LEU 962 Cb 0.89 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1ktm h LEU 962 CO 0.07 0.54 -0.35 -0.09 -0.62 0.00 0.00 178.44 178.00 1ktm h ARG 963 N 0.55 -0.95 -0.60 1.25 9.65 -0.01 -2.24 114.38 122.03 1ktm h ARG 963 Ca 0.13 0.06 0.17 0.00 -1.10 0.00 0.00 59.98 59.24 1ktm h ARG 963 Cb 0.25 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1ktm h ARG 963 CO 0.00 -0.62 0.45 1.15 2.80 0.00 0.00 179.97 183.75 1ktm h THR 964 N -1.03 0.64 0.20 0.20 2.02 -1.26 -0.47 112.91 113.21 1ktm h THR 964 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ktm h THR 964 Cb 0.76 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1ktm h THR 964 CO 0.17 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.81 1ktm h LEU 965 N 0.00 -0.47 -0.57 2.58 4.07 -0.80 0.40 115.31 120.53 1ktm h LEU 965 Ca 0.28 0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.40 1ktm h LEU 965 Cb 1.18 0.16 -0.11 0.00 1.08 0.00 0.00 40.66 42.98 1ktm h LEU 965 CO -0.00 -0.27 -0.13 -0.07 -1.08 0.00 0.00 178.44 176.89 1ktm h LEU 966 N -0.40 -0.50 0.90 1.67 4.07 -0.83 1.51 115.31 121.73 1ktm h LEU 966 Ca -0.00 0.17 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 1ktm h LEU 966 Cb 0.37 0.34 0.01 0.00 1.08 0.00 0.00 40.66 42.46 1ktm h LEU 966 CO -0.03 -0.18 -0.45 0.00 -1.08 0.00 0.00 178.44 176.71 1ktm h ALA 967 N 1.56 -1.23 -0.96 1.53 0.00 -1.30 -0.14 119.26 118.73 1ktm h ALA 967 Ca 0.27 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1ktm h ALA 967 Cb 0.42 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1ktm h ALA 967 CO -0.57 -1.19 0.61 1.79 0.00 0.00 0.00 179.25 179.88 1ktm h THR 968 N -1.23 0.71 -0.57 0.00 1.35 0.75 0.23 112.91 114.15 1ktm h THR 968 Ca -0.12 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1ktm h THR 968 Cb 0.95 0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.38 1ktm h THR 968 CO 0.19 0.11 0.28 0.58 -0.25 0.00 0.00 175.52 176.43 1ktm h VAL 969 N 0.61 1.21 -1.02 6.82 2.07 0.26 -1.67 116.25 124.53 1ktm h VAL 969 Ca 0.52 -0.58 0.25 0.00 0.82 0.00 0.00 66.70 67.71 1ktm h VAL 969 Cb 1.01 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 1ktm h VAL 969 CO -0.27 0.23 0.63 -0.78 0.02 0.00 0.00 177.57 177.40 1ktm h ASP 970 N 0.78 0.59 1.32 0.57 3.58 0.13 1.85 116.42 125.25 1ktm h ASP 970 Ca 0.20 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.68 1ktm h ASP 970 Cb 0.11 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1ktm h ASP 970 CO -0.03 0.12 -0.36 -0.33 -2.88 0.00 0.00 179.24 175.76 1ktm h GLU 971 N 0.52 0.00 0.00 0.28 5.08 -1.12 -3.10 114.58 116.25 1ktm h GLU 971 Ca 0.61 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.78 1ktm h GLU 971 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1ktm h GLU 971 CO -0.38 0.36 -1.16 1.03 -1.00 0.00 0.00 179.01 177.86 1ktm h SER 972 N 0.00 0.00 -0.85 1.42 0.87 0.27 -3.24 113.55 112.02 1ktm h SER 972 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1ktm h SER 972 Cb 1.12 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.93 1ktm h SER 972 CO 0.05 0.77 -0.30 0.25 -0.53 0.00 0.00 176.83 177.07 1ktm h LEU 973 N 0.00 -1.08 -0.32 2.23 6.46 0.22 0.41 115.31 123.23 1ktm h LEU 973 Ca -0.11 0.27 -0.20 0.00 -0.12 0.00 0.00 57.88 57.72 1ktm h LEU 973 Cb 1.69 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 42.22 1ktm h LEU 973 CO 0.08 -0.29 -0.83 1.55 -0.62 0.00 0.00 178.44 178.32 1ktm h PRO 974 N -0.04 0.30 -1.25 5.25 0.13 -1.72 -3.12 132.00 131.55 1ktm h PRO 974 Ca 0.35 -0.29 0.36 0.00 -0.87 0.00 0.00 66.00 65.55 1ktm h PRO 974 Cb 0.61 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 1ktm h PRO 974 CO -0.88 0.98 0.87 0.28 -0.23 0.00 0.00 178.00 179.02 1ktm h VAL 975 N 0.18 0.35 -2.82 1.56 2.07 -0.26 -3.38 116.25 113.96 1ktm h VAL 975 Ca -0.05 -0.04 -0.60 0.00 0.82 0.00 0.00 66.70 66.84 1ktm h VAL 975 Cb 1.44 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 1ktm h VAL 975 CO 0.14 0.02 -0.64 -0.76 0.02 0.00 0.00 177.57 176.35 1ktm s LEU 976 N -8.80 3.41 0.00 2.57 2.01 -0.62 -4.92 118.68 112.34 1ktm s LEU 976 Ca -0.06 -0.35 -0.11 0.00 0.01 0.00 0.00 54.13 53.62 1ktm s LEU 976 Cb 0.25 -2.05 0.15 0.00 0.01 0.00 0.00 46.19 44.55 1ktm s LEU 976 CO 0.82 0.08 0.71 -0.81 1.01 0.00 0.00 176.35 178.16 1ktm n PRO 977 N -0.19 -1.50 -0.44 1.29 -0.04 -1.26 -4.89 135.00 127.98 1ktm n PRO 977 Ca -0.09 -1.11 -0.25 0.00 -0.04 0.00 0.00 63.50 62.00 1ktm n PRO 977 Cb 0.55 -0.88 0.22 0.00 -0.04 0.00 0.00 33.50 33.35 1ktm n PRO 977 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ktm n ALA 978 N -3.79 -2.98 -2.29 0.55 0.00 -1.26 -3.70 120.51 107.04 1ktm n ALA 978 Ca -0.12 -1.41 -0.16 0.00 0.00 0.00 0.00 53.44 51.75 1ktm n ALA 978 Cb 0.34 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1ktm n ALA 978 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ktm n SER 979 N -3.29 -4.75 0.03 0.00 7.64 -1.26 -4.87 113.62 107.12 1ktm n SER 979 Ca 0.07 -0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1ktm n SER 979 Cb 0.49 -3.87 -0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1ktm n SER 979 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ktm n THR 980 N -3.98 1.17 -0.26 0.44 -2.24 -1.24 -4.58 114.28 103.58 1ktm n THR 980 Ca -0.19 0.33 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1ktm n THR 980 Cb 0.64 -1.68 0.05 0.00 -2.10 0.00 0.00 70.33 67.24 1ktm n THR 980 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1ktm h HIS 981 N -0.13 -0.75 0.00 4.78 2.07 -1.89 2.45 115.15 121.67 1ktm h HIS 981 Ca -0.01 0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 1ktm h HIS 981 Cb 0.23 0.44 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1ktm h HIS 981 CO -0.05 -0.37 0.00 -2.13 -3.07 0.00 0.00 177.93 172.31 1ktm n ARG 982 N -5.47 0.00 -0.21 5.12 3.00 -1.26 0.28 116.66 118.12 1ktm n ARG 982 Ca 0.08 0.57 -0.00 0.00 -0.00 0.00 0.00 57.85 58.50 1ktm n ARG 982 Cb 0.38 -1.23 0.11 0.00 0.00 0.00 0.00 32.46 31.71 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ktm h GLU 983 N 0.00 0.48 -0.38 -0.14 5.08 -1.69 0.24 114.58 118.18 1ktm h GLU 983 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1ktm h GLU 983 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1ktm h GLU 983 CO 0.00 0.32 0.27 0.82 -1.00 0.00 0.00 179.01 179.42 1ktm h ILE 984 N 0.50 0.85 -0.36 3.13 2.04 0.46 0.00 117.51 124.14 1ktm h ILE 984 Ca 0.31 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 1ktm h ILE 984 Cb 0.33 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1ktm h ILE 984 CO -0.27 0.01 0.02 -0.08 0.00 0.00 0.00 178.15 177.83 1ktm h GLU 985 N 0.08 0.62 0.00 2.37 4.22 0.75 0.35 114.58 122.97 1ktm h GLU 985 Ca 0.18 -0.19 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 1ktm h GLU 985 Cb 0.61 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ktm h GLU 985 CO -0.01 0.72 -0.13 0.52 -2.18 0.00 0.00 179.01 177.92 1ktm h MET 986 N 0.44 0.00 0.06 1.92 2.86 -0.59 0.73 114.93 120.35 1ktm h MET 986 Ca 0.10 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.45 1ktm h MET 986 Cb 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1ktm h MET 986 CO 0.02 0.13 -1.56 0.00 1.06 0.00 0.00 176.91 176.55 1ktm h ALA 987 N 1.87 0.49 -0.10 6.32 0.00 -0.85 -2.80 119.26 124.19 1ktm h ALA 987 Ca -0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 54.91 53.61 1ktm h ALA 987 Cb 0.44 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ktm h ALA 987 CO 0.02 1.34 -0.18 1.96 0.00 0.00 0.00 179.25 182.39 1ktm h GLN 988 N 0.03 0.30 -0.57 0.00 1.08 0.24 -2.80 115.11 113.39 1ktm h GLN 988 Ca -0.24 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.71 1ktm h GLN 988 Cb 1.98 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 29.40 1ktm h GLN 988 CO 0.12 0.77 0.07 0.87 -0.95 0.00 0.00 178.83 179.71 1ktm h LYS 989 N -0.14 0.92 -0.06 1.46 1.57 -1.02 -2.78 116.57 116.53 1ktm h LYS 989 Ca 0.01 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1ktm h LYS 989 Cb 0.75 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1ktm h LYS 989 CO 0.04 0.87 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.39 1ktm h LEU 990 N 0.87 -1.00 0.01 2.94 3.38 -1.45 0.34 115.31 120.40 1ktm h LEU 990 Ca 0.18 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1ktm h LEU 990 Cb 0.41 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1ktm h LEU 990 CO 0.01 -0.38 -0.16 0.25 0.09 0.00 0.00 178.44 178.26 1ktm h LEU 991 N -0.45 -0.48 -0.89 1.67 7.12 -1.29 0.25 115.31 121.25 1ktm h LEU 991 Ca 0.07 0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.25 1ktm h LEU 991 Cb 0.56 0.18 -0.13 0.00 -0.53 0.00 0.00 40.66 40.74 1ktm h LEU 991 CO -0.31 -0.15 -0.47 -1.13 -0.13 0.00 0.00 178.44 176.25 1ktm h ASN 992 N -0.20 -1.71 0.00 1.25 -0.73 -1.25 1.35 115.58 114.29 1ktm h ASN 992 Ca 0.00 0.30 0.00 0.00 1.87 0.00 0.00 56.30 58.47 1ktm h ASN 992 Cb 0.21 0.81 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1ktm h ASN 992 CO -0.10 -0.28 0.00 -0.24 -0.37 0.00 0.00 177.43 176.44 1ktm n SER 993 N -5.38 0.00 -0.25 1.15 2.88 0.12 0.55 113.62 112.70 1ktm n SER 993 Ca 0.05 0.99 0.04 0.00 -1.33 0.00 0.00 58.87 58.62 1ktm n SER 993 Cb 0.34 -0.49 0.15 0.00 -0.75 0.00 0.00 64.21 63.46 1ktm n SER 993 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ktm h ASP 994 N 0.00 -0.30 -0.08 -3.46 3.32 0.54 -0.72 116.42 115.71 1ktm h ASP 994 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.25 1ktm h ASP 994 Cb 0.00 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1ktm h ASP 994 CO 0.00 -0.15 -0.42 -0.07 -1.72 0.00 0.00 179.24 176.88 1ktm h LEU 995 N 0.12 -1.31 -0.88 1.55 -0.00 0.29 0.43 115.31 115.51 1ktm h LEU 995 Ca 0.40 0.15 0.15 0.00 -0.00 0.00 0.00 57.88 58.58 1ktm h LEU 995 Cb 0.69 0.51 -0.15 0.00 -0.00 0.00 0.00 40.66 41.71 1ktm h LEU 995 CO -0.62 -0.38 -0.29 0.00 -0.00 0.00 0.00 178.44 177.15 1ktm n ALA 996 N -2.89 0.04 -0.06 1.53 0.00 0.19 0.19 120.51 119.51 1ktm n ALA 996 Ca -0.05 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.21 1ktm n ALA 996 Cb 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 1ktm n ALA 996 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ktm h GLU 997 N 0.00 0.30 -0.93 0.00 4.57 -0.65 0.24 114.58 118.11 1ktm h GLU 997 Ca 0.36 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1ktm h GLU 997 Cb 0.58 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1ktm h GLU 997 CO -0.89 0.24 0.61 1.25 -1.18 0.00 0.00 179.01 179.04 1ktm h LEU 998 N 0.27 1.02 0.00 1.64 5.85 0.60 0.30 115.31 125.00 1ktm h LEU 998 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ktm h LEU 998 Cb 0.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1ktm h LEU 998 CO -0.02 0.71 0.00 -0.38 -0.34 0.00 0.00 178.44 178.42 1ktm n ILE 999 N -4.48 0.00 -0.43 4.05 2.08 0.51 -1.19 119.36 119.91 1ktm n ILE 999 Ca 0.12 1.16 0.35 0.00 0.56 0.00 0.00 62.75 64.94 1ktm n ILE 999 Cb 0.07 -2.12 0.63 0.00 -0.75 0.00 0.00 39.64 37.47 1ktm n ILE 999 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1ktm h ASN 1000N 0.00 0.27 0.44 4.38 -0.73 -0.52 0.92 115.58 120.33 1ktm h ASN 1000Ca 0.00 0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1ktm h ASN 1000Cb 0.00 0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1ktm h ASN 1000CO 0.00 -0.18 -0.21 0.11 -0.37 0.00 0.00 177.43 176.78 1ktm h LYS 1001N 0.11 -0.57 -0.00 6.67 1.57 -0.27 -1.18 116.57 122.89 1ktm h LYS 1001Ca 0.81 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.63 1ktm h LYS 1001Cb 2.46 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 34.90 1ktm h LYS 1001CO -0.44 -0.37 0.13 0.00 -0.57 0.00 0.00 179.45 178.19 1ktm h MET 1002N -0.60 0.00 0.00 3.15 -0.00 0.23 0.54 114.93 118.26 1ktm h MET 1002Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.47 1ktm h MET 1002Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.03 1ktm h MET 1002CO 0.10 0.00 -0.82 0.87 -0.00 0.00 0.00 176.91 177.06 1ktm h LYS 1003N 0.00 0.00 0.00 -0.10 1.57 -0.07 -2.86 116.57 115.10 1ktm h LYS 1003Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1ktm h LYS 1003Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1ktm h LYS 1003CO -0.00 0.82 -1.16 -0.07 -0.57 0.00 0.00 179.45 178.47 1ktm h LEU 1004N 0.00 0.00 -1.57 2.94 3.38 0.41 -3.36 115.31 117.12 1ktm h LEU 1004Ca -0.01 -0.49 0.33 0.00 0.09 0.00 0.00 57.88 57.80 1ktm h LEU 1004Cb 1.50 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.16 1ktm h LEU 1004CO 0.11 1.42 0.78 0.00 0.09 0.00 0.00 178.44 180.83 1ktm h ALA 1005N -0.51 2.62 -0.66 1.53 0.00 -0.33 2.16 119.26 124.06 1ktm h ALA 1005Ca -0.31 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1ktm h ALA 1005Cb 1.23 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1ktm h ALA 1005CO -0.19 -1.06 0.43 0.37 0.00 0.00 0.00 179.25 178.81 1ktm h GLN 1006N 0.21 0.65 0.00 0.00 4.15 -1.64 -0.88 115.11 117.60 1ktm h GLN 1006Ca 0.64 -0.04 -0.28 0.00 0.77 0.00 0.00 58.65 59.74 1ktm h GLN 1006Cb 1.98 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 29.47 1ktm h GLN 1006CO -0.23 0.43 -2.25 0.94 -1.93 0.00 0.00 178.83 175.79 1ktm n GLN 1007N -4.48 0.78 -0.44 1.69 7.27 0.46 -4.27 117.38 118.40 1ktm n GLN 1007Ca 0.09 -0.05 -0.05 0.00 0.07 0.00 0.00 57.00 57.06 1ktm n GLN 1007Cb 0.23 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.48 1ktm n GLN 1007CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ktm n TYR 1008N -2.61 1.07 -0.05 3.69 4.01 0.62 -3.78 117.16 120.11 1ktm n TYR 1008Ca -0.26 -0.77 -0.09 0.00 -0.16 0.00 0.00 57.90 56.62 1ktm n TYR 1008Cb 1.00 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.57 1ktm n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ktm n VAL 1009N -0.01 0.50 -0.30 -0.72 3.14 -0.37 -2.86 118.33 117.71 1ktm n VAL 1009Ca 0.19 -0.13 -0.05 0.00 -2.96 0.00 0.00 64.34 61.39 1ktm n VAL 1009Cb 0.84 -1.53 0.07 0.00 -1.06 0.00 0.00 33.84 32.17 1ktm n VAL 1009CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ktm h MET 1010N -0.29 1.15 0.05 1.45 -0.00 -1.79 -3.10 114.93 112.40 1ktm h MET 1010Ca -0.23 -0.14 0.01 0.00 -0.00 0.00 0.00 59.70 59.35 1ktm h MET 1010Cb 1.21 -0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 32.55 1ktm h MET 1010CO -0.13 0.85 -0.43 0.00 -0.00 0.00 0.00 176.91 177.21 1ktm h THR 1011N 1.14 0.00 0.00 -0.10 1.03 -1.84 -3.47 112.91 109.68 1ktm h THR 1011Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.69 1ktm h THR 1011Cb 0.04 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.12 1ktm h THR 1011CO -0.04 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.27 1ktm n SER 1012N -4.85 0.00 -2.46 0.00 7.64 -1.17 -5.01 113.62 107.77 1ktm n SER 1012Ca -0.06 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.62 1ktm n SER 1012Cb 0.32 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.41 1ktm n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ktm n LEU 1013N 0.00 5.91 0.00 -3.43 4.77 -1.25 -4.42 117.00 118.58 1ktm n LEU 1013Ca 0.00 -3.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 1ktm n LEU 1013Cb 0.00 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 1ktm n LEU 1013CO 0.00 1.62 0.00 1.67 -1.33 0.00 0.00 177.39 179.35 1ktm n GLN 1014N 2.93 0.00 -0.10 3.23 7.27 -1.13 -2.92 117.38 126.65 1ktm n GLN 1014Ca 0.51 0.16 0.26 0.00 0.07 0.00 0.00 57.00 57.99 1ktm n GLN 1014Cb 0.63 -0.59 0.57 0.00 2.41 0.00 0.00 30.24 33.26 1ktm n GLN 1014CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1ktm h GLN 1015N 0.00 0.00 0.40 3.69 3.07 -1.90 0.38 115.11 120.75 1ktm h GLN 1015Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1ktm h GLN 1015Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ktm h GLN 1015CO 0.00 0.00 -0.19 1.49 0.09 0.00 0.00 178.83 180.22 1ktm h GLU 1016N 0.00 -0.52 0.00 0.06 4.81 -1.86 -2.56 114.58 114.51 1ktm h GLU 1016Ca 0.38 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1ktm h GLU 1016Cb 2.21 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.70 1ktm h GLU 1016CO -0.00 -0.25 -0.14 1.88 -0.73 0.00 0.00 179.01 179.77 1ktm h TYR 1017N -1.06 0.00 -0.21 0.92 -1.99 -0.38 -1.66 116.97 112.59 1ktm h TYR 1017Ca -0.05 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 1ktm h TYR 1017Cb 0.50 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1ktm h TYR 1017CO 0.02 0.14 -0.28 0.87 -0.00 0.00 0.00 178.16 178.91 1ktm h LYS 1018N 0.00 0.42 -0.06 4.88 6.56 -0.45 -2.36 116.57 125.56 1ktm h LYS 1018Ca -0.00 -0.16 -0.15 0.00 -1.06 0.00 0.00 60.65 59.28 1ktm h LYS 1018Cb 0.36 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 1ktm h LYS 1018CO 0.02 0.67 -0.63 0.87 -2.06 0.00 0.00 179.45 178.31 1ktm h LYS 1019N 0.37 0.24 0.08 3.15 1.79 -0.88 -2.70 116.57 118.62 1ktm h LYS 1019Ca 0.05 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1ktm h LYS 1019Cb 0.69 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1ktm h LYS 1019CO 0.05 0.79 -0.06 1.96 -1.08 0.00 0.00 179.45 181.11 1ktm h GLN 1020N 0.17 -0.13 -0.79 3.15 1.08 -1.13 0.37 115.11 117.83 1ktm h GLN 1020Ca -0.01 0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.41 1ktm h GLN 1020Cb 1.14 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 1ktm h GLN 1020CO 0.10 -0.09 0.56 0.00 -0.95 0.00 0.00 178.83 178.45 1ktm h MET 1021N -0.14 0.10 0.84 1.46 -0.00 -1.61 -1.31 114.93 114.28 1ktm h MET 1021Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.64 1ktm h MET 1021Cb 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 31.70 1ktm h MET 1021CO 0.00 0.06 -0.41 1.25 -0.00 0.00 0.00 176.91 177.82 1ktm h LEU 1022N 0.10 -0.96 -1.00 -0.10 7.12 -1.09 -0.09 115.31 119.30 1ktm h LEU 1022Ca 0.39 0.03 0.24 0.00 0.13 0.00 0.00 57.88 58.66 1ktm h LEU 1022Cb 1.38 0.25 -0.19 0.00 -0.53 0.00 0.00 40.66 41.57 1ktm h LEU 1022CO -0.04 -0.65 -0.10 0.41 -0.13 0.00 0.00 178.44 177.92 1ktm n THR 1023N -5.56 -0.42 -0.02 1.05 -1.04 0.08 0.12 114.28 108.48 1ktm n THR 1023Ca -0.15 2.23 -0.11 0.00 -2.04 0.00 0.00 64.05 63.98 1ktm n THR 1023Cb 0.45 -3.18 -0.06 0.00 -1.82 0.00 0.00 70.33 65.72 1ktm n THR 1023CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ktm h ALA 1024N 1.99 0.14 -0.67 2.41 0.00 -1.37 -1.62 119.26 120.14 1ktm h ALA 1024Ca 0.55 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.55 1ktm h ALA 1024Cb 1.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1ktm h ALA 1024CO -0.98 -0.26 0.66 0.00 0.00 0.00 0.00 179.25 178.67 1ktm h ALA 1025N 0.87 2.47 0.52 0.00 0.00 0.28 1.77 119.26 125.18 1ktm h ALA 1025Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ktm h ALA 1025Cb 0.19 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ktm h ALA 1025CO -0.00 -1.01 -0.25 1.25 0.00 0.00 0.00 179.25 179.24 1ktm h HIS 1026N 0.00 -0.65 -0.36 0.00 2.76 0.04 0.32 115.15 117.26 1ktm h HIS 1026Ca 0.32 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 1ktm h HIS 1026Cb 1.64 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.79 1ktm h HIS 1026CO 0.00 -0.40 -0.14 0.00 -1.30 0.00 0.00 177.93 176.09 1ktm h ALA 1027N -1.17 1.09 0.81 5.26 0.00 -0.77 -2.98 119.26 121.50 1ktm h ALA 1027Ca -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1ktm h ALA 1027Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ktm h ALA 1027CO 0.12 0.56 -0.43 -0.07 0.00 0.00 0.00 179.25 179.43 1ktm h LEU 1028N 0.58 -1.04 -0.98 0.00 -0.00 0.25 1.17 115.31 115.29 1ktm h LEU 1028Ca 0.10 0.04 0.33 0.00 -0.00 0.00 0.00 57.88 58.35 1ktm h LEU 1028Cb 0.58 0.28 -0.18 0.00 -0.00 0.00 0.00 40.66 41.34 1ktm h LEU 1028CO 0.04 -0.69 0.24 0.00 -0.00 0.00 0.00 178.44 178.02 1ktm n ALA 1029N -2.61 0.72 -0.03 1.53 0.00 0.10 0.12 120.51 120.34 1ktm n ALA 1029Ca -0.14 1.03 -0.14 0.00 0.00 0.00 0.00 53.44 54.20 1ktm n ALA 1029Cb 0.46 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 1ktm n ALA 1029CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ktm h VAL 1030N 0.00 1.48 -0.85 0.00 2.07 -1.28 -2.97 116.25 114.71 1ktm h VAL 1030Ca 0.70 -1.59 0.19 0.00 0.82 0.00 0.00 66.70 66.81 1ktm h VAL 1030Cb 1.65 2.47 -0.16 0.00 -1.52 0.00 0.00 31.29 33.73 1ktm h VAL 1030CO -0.85 0.43 -0.11 -0.78 0.02 0.00 0.00 177.57 176.28 1ktm h ASP 1031N -0.47 -0.61 -0.49 0.57 3.58 0.94 1.19 116.42 121.13 1ktm h ASP 1031Ca -0.01 0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.72 1ktm h ASP 1031Cb 0.76 0.47 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 1ktm h ASP 1031CO 0.02 -0.27 0.26 0.00 -2.88 0.00 0.00 179.24 176.37 1ktm h ALA 1032N 1.83 0.62 -0.67 -0.78 0.00 -0.62 -0.43 119.26 119.21 1ktm h ALA 1032Ca 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1ktm h ALA 1032Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ktm h ALA 1032CO -0.83 -0.08 0.27 -0.22 0.00 0.00 0.00 179.25 178.39 1ktm h LYS 1033N 0.51 0.99 -0.69 0.00 1.63 0.10 -1.58 116.57 117.53 1ktm h LYS 1033Ca 0.21 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1ktm h LYS 1033Cb 0.09 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 1ktm h LYS 1033CO -0.13 0.81 0.46 -0.97 -3.45 0.00 0.00 179.45 176.16 1ktm h ASN 1034N 0.97 0.77 0.43 4.20 -1.24 0.23 0.60 115.58 121.53 1ktm h ASN 1034Ca 0.23 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 1ktm h ASN 1034Cb 0.19 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1ktm h ASN 1034CO -0.02 0.55 -0.42 0.25 -1.29 0.00 0.00 177.43 176.50 1ktm h LEU 1035N 0.90 -1.15 -0.87 0.34 6.46 -0.10 -0.77 115.31 120.12 1ktm h LEU 1035Ca 0.26 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1ktm h LEU 1035Cb -0.05 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1ktm h LEU 1035CO -0.06 -0.56 0.41 0.25 -0.62 0.00 0.00 178.44 177.86 1ktm h LEU 1036N -0.84 1.11 -0.88 2.25 5.85 -1.36 -2.14 115.31 119.29 1ktm h LEU 1036Ca -0.05 -0.13 0.24 0.00 0.84 0.00 0.00 57.88 58.77 1ktm h LEU 1036Cb 0.73 -0.29 -0.14 0.00 0.37 0.00 0.00 40.66 41.33 1ktm h LEU 1036CO -0.05 0.93 0.27 -0.78 -0.34 0.00 0.00 178.44 178.47 1ktm h ASP 1037N 1.21 0.07 0.28 1.25 3.58 0.67 2.03 116.42 125.51 1ktm h ASP 1037Ca 0.29 0.19 -0.09 0.00 0.42 0.00 0.00 57.03 57.84 1ktm h ASP 1037Cb 0.11 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1ktm h ASP 1037CO -0.04 -0.13 -0.39 0.58 -2.88 0.00 0.00 179.24 176.38 1ktm h VAL 1038N 0.24 1.29 -0.32 2.25 2.07 -0.49 -2.64 116.25 118.66 1ktm h VAL 1038Ca 0.56 -1.42 -0.18 0.00 0.82 0.00 0.00 66.70 66.48 1ktm h VAL 1038Cb 1.13 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1ktm h VAL 1038CO -0.63 0.42 -0.50 0.40 0.02 0.00 0.00 177.57 177.27 1ktm h ILE 1039N 0.13 1.27 -0.60 4.57 2.04 0.31 -1.96 117.51 123.27 1ktm h ILE 1039Ca 0.01 -1.68 0.09 0.00 1.00 0.00 0.00 64.86 64.28 1ktm h ILE 1039Cb 0.75 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1ktm h ILE 1039CO 0.06 0.55 0.21 -0.78 0.00 0.00 0.00 178.15 178.19 1ktm h ASP 1040N 0.70 0.20 0.97 1.72 3.58 0.10 0.61 116.42 124.30 1ktm h ASP 1040Ca 0.03 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1ktm h ASP 1040Cb 1.11 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 1ktm h ASP 1040CO 0.12 0.12 -0.16 0.06 -2.88 0.00 0.00 179.24 176.50 1ktm h GLN 1041N 0.39 0.00 -0.01 0.28 3.07 -1.41 -2.91 115.11 114.52 1ktm h GLN 1041Ca 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.97 1ktm h GLN 1041Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.94 1ktm h GLN 1041CO -0.31 0.16 -0.27 0.00 0.09 0.00 0.00 178.83 178.50 1ktm h ALA 1042N 1.84 0.05 0.02 0.06 0.00 0.43 -2.87 119.26 118.78 1ktm h ALA 1042Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ktm h ALA 1042Cb 0.69 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ktm h ALA 1042CO 0.02 0.11 -0.03 -0.09 0.00 0.00 0.00 179.25 179.26 1ktm h ARG 1043N -0.42 -0.05 -0.97 0.00 2.43 0.12 -2.18 114.38 113.30 1ktm h ARG 1043Ca -0.03 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.44 1ktm h ARG 1043Cb 1.00 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.39 1ktm h ARG 1043CO 0.05 -0.03 0.20 1.37 -1.51 0.00 0.00 179.97 180.05 1ktm h LEU 1044N -0.05 -0.19 -1.29 3.80 8.10 -1.67 1.51 115.31 125.52 1ktm h LEU 1044Ca -0.00 0.26 0.45 0.00 0.11 0.00 0.00 57.88 58.70 1ktm h LEU 1044Cb 0.05 0.39 -0.14 0.00 -0.44 0.00 0.00 40.66 40.52 1ktm h LEU 1044CO -0.01 -0.34 0.82 1.17 -4.11 0.00 0.00 178.44 175.98 1ktm n LYS 1045N -5.38 -0.04 -0.07 0.17 0.00 -0.83 0.15 118.16 112.17 1ktm n LYS 1045Ca 0.27 1.21 -0.12 0.00 0.00 0.00 0.00 58.31 59.67 1ktm n LYS 1045Cb 0.88 -2.37 -0.10 0.00 0.00 0.00 0.00 35.03 33.43 1ktm n LYS 1045CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1ktm h MET 1046N 0.00 0.00 -0.99 1.64 4.05 0.22 -3.33 114.93 116.52 1ktm h MET 1046Ca 0.84 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 60.40 1ktm h MET 1046Cb 2.68 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 33.38 1ktm h MET 1046CO -0.47 0.81 0.61 0.82 0.23 0.00 0.00 176.91 178.91 1ktm h ILE 1047N -1.00 0.84 -3.45 1.77 2.04 0.42 -3.34 117.51 114.80 1ktm h ILE 1047Ca -0.03 -0.31 -0.72 0.00 1.00 0.00 0.00 64.86 64.80 1ktm h ILE 1047Cb 0.84 -0.13 -0.24 0.00 -0.74 0.00 0.00 36.82 36.55 1ktm h ILE 1047CO -0.02 0.16 -0.43 -0.55 0.00 0.00 0.00 178.15 177.32 1ktm s SER 1048N -5.58 5.89 0.00 1.72 0.15 0.40 -4.48 113.70 111.79 1ktm s SER 1048Ca -0.12 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1ktm s SER 1048Cb 0.23 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1ktm s SER 1048CO 0.80 -0.52 0.00 1.67 1.20 0.00 0.00 173.24 176.40 1ktm n GLN 1049N 5.06 0.00 -2.63 5.44 7.27 -1.25 -4.59 117.38 126.68 1ktm n GLN 1049Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.91 1ktm n GLN 1049Cb 0.44 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.11 1ktm n GLN 1049CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1ktm n SER 1050N 0.00 -5.70 -4.55 1.69 7.64 -1.26 -5.03 113.62 106.41 1ktm n SER 1050Ca 0.00 -0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.32 1ktm n SER 1050Cb 0.00 -3.90 -0.11 0.00 -1.01 0.00 0.00 64.21 59.19 1ktm n SER 1050CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ktm s ARG 1051N -3.38 3.35 -0.82 1.43 3.52 -1.26 -5.05 118.95 116.73 1ktm s ARG 1051Ca 0.13 -0.51 -0.25 0.00 -0.13 0.00 0.00 55.73 54.97 1ktm s ARG 1051Cb -0.02 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1ktm s ARG 1051CO 0.52 0.42 1.63 -1.25 -0.81 0.00 0.00 175.30 175.80 1ktm s PRO 1052N -0.12 3.00 0.00 5.12 0.04 -1.26 -5.20 135.00 136.58 1ktm s PRO 1052Ca 0.02 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1ktm s PRO 1052Cb -0.13 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1ktm s PRO 1052CO 0.02 -2.61 0.48 1.58 0.04 0.00 0.00 177.00 176.51