#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 3.72 -0.60 3.04 0.00 -1.26 -4.97 121.76 121.70 1ktm s ALA 916 Ca 0.00 -2.94 -0.24 0.00 0.00 0.00 0.00 51.96 48.78 1ktm s ALA 916 Cb 0.00 -3.13 -0.21 0.00 0.00 0.00 0.00 23.12 19.79 1ktm s ALA 916 CO 0.00 -2.09 1.85 0.09 0.00 0.00 0.00 175.76 175.61 1ktm n ASN 917 N 4.40 2.17 -2.80 0.00 4.13 -1.26 -4.52 115.26 117.38 1ktm n ASN 917 Ca 0.01 -2.64 -0.24 0.00 1.68 0.00 0.00 54.58 53.40 1ktm n ASN 917 Cb 0.42 -0.97 -0.02 0.00 -1.54 0.00 0.00 39.78 37.67 1ktm n ASN 917 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ktm n LEU 918 N 7.81 3.71 0.00 3.41 4.32 -1.26 -4.96 117.00 130.03 1ktm n LEU 918 Ca 0.49 -5.23 -0.01 0.00 -0.02 0.00 0.00 56.01 51.23 1ktm n LEU 918 Cb 0.41 -0.24 0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1ktm n LEU 918 CO 1.08 2.23 0.02 0.47 -1.22 0.00 0.00 177.39 179.96 1ktm n ASP 919 N -0.23 -1.82 -0.22 -1.43 9.92 -1.26 -4.80 116.55 116.71 1ktm n ASP 919 Ca 0.30 -0.17 0.04 0.00 -0.53 0.00 0.00 54.79 54.43 1ktm n ASP 919 Cb 0.56 -0.05 0.15 0.00 -0.64 0.00 0.00 41.12 41.15 1ktm n ASP 919 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ktm n ARG 920 N -2.04 1.28 -0.04 -1.24 1.74 -1.26 -3.18 116.66 111.92 1ktm n ARG 920 Ca 0.01 -0.43 -0.02 0.00 -0.77 0.00 0.00 57.85 56.64 1ktm n ARG 920 Cb 0.03 -1.15 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1ktm n ARG 920 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1ktm h SER 921 N 0.73 0.00 0.43 0.55 0.02 -1.98 -3.32 113.55 109.97 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 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ktm h SER 921 CO 0.00 0.42 0.00 -0.46 -1.14 0.00 0.00 176.83 175.65 1ktm n ASN 922 N -3.71 0.00 0.12 3.07 6.94 -1.25 -1.88 115.26 118.55 1ktm n ASN 922 Ca -0.03 0.23 -0.01 0.00 -0.02 0.00 0.00 54.58 54.74 1ktm n ASN 922 Cb 0.12 -0.37 0.07 0.00 -2.36 0.00 0.00 39.78 37.23 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 0.00 0.03 0.53 3.58 -1.70 -1.50 116.42 117.36 1ktm h ASP 923 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1ktm h ASP 923 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1ktm h ASP 923 CO 0.00 0.69 -0.70 0.50 -2.88 0.00 0.00 179.24 176.85 1ktm h LYS 924 N 0.00 0.06 -0.54 0.28 3.64 -1.47 -2.53 116.57 116.00 1ktm h LYS 924 Ca -0.01 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1ktm h LYS 924 Cb 1.35 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 1ktm h LYS 924 CO 0.09 1.05 0.26 0.28 -2.27 0.00 0.00 179.45 178.85 1ktm h VAL 925 N -0.85 0.91 -0.26 2.00 2.07 -1.60 0.27 116.25 118.78 1ktm h VAL 925 Ca -0.18 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1ktm h VAL 925 Cb 1.26 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ktm h VAL 925 CO -0.05 0.09 -0.22 1.88 0.02 0.00 0.00 177.57 179.29 1ktm h TYR 926 N 0.49 0.54 0.21 1.57 -1.99 -1.41 -1.82 116.97 114.56 1ktm h TYR 926 Ca 0.25 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 1ktm h TYR 926 Cb 0.20 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1ktm h TYR 926 CO -0.12 0.68 -0.10 0.93 -0.00 0.00 0.00 178.16 179.55 1ktm h GLU 927 N 0.44 -0.27 -0.98 4.88 4.39 -0.73 -1.75 114.58 120.56 1ktm h GLU 927 Ca 0.07 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.08 1ktm h GLU 927 Cb 0.62 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 29.19 1ktm h GLU 927 CO 0.04 -0.18 0.50 -0.91 -1.16 0.00 0.00 179.01 177.30 1ktm h ASN 928 N -0.40 0.42 0.39 1.42 4.21 -0.60 0.36 115.58 121.38 1ktm h ASN 928 Ca -0.03 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1ktm h ASN 928 Cb 0.22 0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 1ktm h ASN 928 CO 0.05 -0.12 -0.34 0.58 -1.29 0.00 0.00 177.43 176.31 1ktm h VAL 929 N 0.32 0.00 0.24 2.81 2.07 -1.30 -0.89 116.25 119.50 1ktm h VAL 929 Ca 0.69 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.20 1ktm h VAL 929 Cb 1.52 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1ktm h VAL 929 CO -0.61 0.00 -0.24 0.71 0.02 0.00 0.00 177.57 177.45 1ktm h THR 930 N -0.72 0.00 -1.04 2.57 1.35 0.04 -1.69 112.91 113.42 1ktm h THR 930 Ca -0.05 0.00 0.37 0.00 -0.55 0.00 0.00 66.41 66.18 1ktm h THR 930 Cb 0.61 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.91 1ktm h THR 930 CO -0.01 0.00 0.65 0.61 -0.25 0.00 0.00 175.52 176.52 1ktm n GLY 931 N -1.27 -0.65 0.00 5.82 0.00 0.11 0.17 105.19 109.36 1ktm n GLY 931 Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1ktm n GLY 931 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ktm n LEU 932 N -4.39 0.27 -0.32 0.99 0.00 -0.34 -2.17 117.00 111.04 1ktm n LEU 932 Ca 0.32 0.68 0.34 0.00 0.00 0.00 0.00 56.01 57.34 1ktm n LEU 932 Cb 1.20 -0.40 0.73 0.00 0.00 0.00 0.00 43.42 44.96 1ktm n LEU 932 CO 0.12 -0.40 1.31 -0.37 0.00 0.00 0.00 177.39 178.05 1ktm h VAL 933 N 0.00 0.42 -0.80 1.96 -1.51 0.03 1.42 116.25 117.77 1ktm h VAL 933 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 1ktm h VAL 933 Cb 0.00 0.38 -0.04 0.00 -2.13 0.00 0.00 31.29 29.50 1ktm h VAL 933 CO 0.00 0.01 0.46 0.11 -1.23 0.00 0.00 177.57 176.91 1ktm h LYS 934 N 0.03 1.10 0.02 5.19 1.57 0.17 -2.57 116.57 122.07 1ktm h LYS 934 Ca 0.56 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1ktm h LYS 934 Cb 2.18 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1ktm h LYS 934 CO -0.04 0.79 -0.09 0.00 -0.57 0.00 0.00 179.45 179.54 1ktm h ALA 935 N 1.39 -0.01 -0.87 3.86 0.00 0.23 -1.94 119.26 121.93 1ktm h ALA 935 Ca 0.28 -0.52 0.36 0.00 0.00 0.00 0.00 54.91 55.04 1ktm h ALA 935 Cb -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 1ktm h ALA 935 CO -0.05 0.04 0.48 0.28 0.00 0.00 0.00 179.25 180.00 1ktm n VAL 936 N -4.56 -0.34 -0.01 0.00 0.31 0.32 0.96 118.33 115.01 1ktm n VAL 936 Ca -0.10 1.70 -0.00 0.00 -0.01 0.00 0.00 64.34 65.93 1ktm n VAL 936 Cb 0.51 -2.77 -0.00 0.00 -0.91 0.00 0.00 33.84 30.67 1ktm n VAL 936 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ktm h ILE 937 N 0.00 0.00 -0.63 2.52 2.04 -1.53 -3.33 117.51 116.59 1ktm h ILE 937 Ca 0.72 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 66.59 1ktm h ILE 937 Cb 1.94 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.90 1ktm h ILE 937 CO -0.63 0.00 -0.09 -0.62 0.00 0.00 0.00 178.15 176.81 1ktm n GLU 938 N -2.47 -0.05 -0.03 2.37 4.71 -0.49 0.27 120.64 124.95 1ktm n GLU 938 Ca -0.00 0.96 -0.05 0.00 -0.01 0.00 0.00 57.16 58.05 1ktm n GLU 938 Cb 0.02 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 28.94 1ktm n GLU 938 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1ktm h MET 939 N 0.00 -0.17 -1.16 3.49 1.85 0.43 0.16 114.93 119.53 1ktm h MET 939 Ca 0.33 0.01 0.42 0.00 -0.61 0.00 0.00 59.70 59.86 1ktm h MET 939 Cb 0.59 0.04 -0.14 0.00 0.43 0.00 0.00 31.60 32.52 1ktm h MET 939 CO -0.62 -0.12 0.72 0.43 -0.40 0.00 0.00 176.91 176.92 1ktm n SER 940 N -3.64 0.23 0.09 1.39 7.64 0.14 0.25 113.62 119.72 1ktm n SER 940 Ca -0.02 1.34 -0.13 0.00 1.01 0.00 0.00 58.87 61.07 1ktm n SER 940 Cb 0.13 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 1ktm n SER 940 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ktm h SER 941 N 0.00 -0.17 -0.74 6.43 0.87 -0.47 -2.77 113.55 116.70 1ktm h SER 941 Ca 0.80 -0.15 -0.25 0.00 -1.23 0.00 0.00 61.79 60.96 1ktm h SER 941 Cb 2.44 0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 64.30 1ktm h SER 941 CO -0.51 0.05 0.32 2.29 -0.53 0.00 0.00 176.83 178.45 1ktm n LYS 942 N -5.09 3.40 -0.12 2.24 2.85 0.54 -4.23 118.16 117.75 1ktm n LYS 942 Ca -0.09 -2.89 -0.25 0.00 -1.05 0.00 0.00 58.31 54.03 1ktm n LYS 942 Cb 0.17 -2.17 -0.11 0.00 -0.65 0.00 0.00 35.03 32.28 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 -0.25 1.54 -0.23 0.58 0.00 0.68 -2.52 119.36 119.16 1ktm n ILE 943 Ca 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 62.75 62.93 1ktm n ILE 943 Cb 1.38 -1.96 0.03 0.00 0.00 0.00 0.00 39.64 39.09 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 -0.95 -0.11 0.02 9.51 4.15 -1.73 -2.41 115.11 123.59 1ktm h GLN 944 Ca -0.50 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1ktm h GLN 944 Cb 1.46 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1ktm h GLN 944 CO -0.29 -0.07 -0.01 -1.00 -1.93 0.00 0.00 178.83 175.53 1ktm h PRO 945 N -0.11 -0.02 -4.13 -2.39 0.13 -1.82 -3.46 132.00 120.19 1ktm h PRO 945 Ca 0.27 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.81 1ktm h PRO 945 Cb 0.55 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.70 1ktm h PRO 945 CO -0.72 0.68 0.33 0.00 -0.23 0.00 0.00 178.00 178.06 1ktm n ALA 946 N -2.50 -1.50 -1.52 -0.56 0.00 -0.91 -4.89 120.51 108.63 1ktm n ALA 946 Ca -0.09 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1ktm n ALA 946 Cb 0.35 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.73 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 1.39 -0.26 0.26 0.00 0.04 -1.26 -4.74 135.00 130.43 1ktm s PRO 947 Ca 0.69 -0.24 0.25 0.00 0.04 0.00 0.00 61.00 61.74 1ktm s PRO 947 Cb -0.98 -1.72 0.90 0.00 0.04 0.00 0.00 34.50 32.73 1ktm s PRO 947 CO 0.51 -3.04 1.75 -1.00 0.04 0.00 0.00 177.00 175.26 1ktm h PRO 948 N -2.10 0.00 0.00 0.56 0.13 -1.90 0.41 132.00 129.10 1ktm h PRO 948 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 1ktm h PRO 948 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1ktm h PRO 948 CO 0.36 0.00 -1.35 0.93 -0.23 0.00 0.00 178.00 177.72 1ktm h GLU 949 N 0.00 0.00 0.00 0.86 4.39 -1.97 -2.99 114.58 114.87 1ktm h GLU 949 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ktm h GLU 949 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1ktm h GLU 949 CO 0.00 0.35 -1.17 -1.91 -1.16 0.00 0.00 179.01 175.13 1ktm n GLU 950 N -2.95 0.68 -0.02 2.33 4.07 -1.09 -4.31 120.64 119.35 1ktm n GLU 950 Ca -0.09 -0.05 -0.10 0.00 -0.06 0.00 0.00 57.16 56.86 1ktm n GLU 950 Cb 0.86 -1.42 -0.14 0.00 -0.06 0.00 0.00 31.44 30.68 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 0.00 0.06 -0.65 4.31 3.20 -0.31 -3.13 116.97 120.44 1ktm h TYR 951 Ca 0.00 -0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.96 1ktm h TYR 951 Cb 0.57 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.74 1ktm h TYR 951 CO 0.00 1.09 0.13 0.28 -1.64 0.00 0.00 178.16 178.02 1ktm h VAL 952 N 0.01 0.58 0.06 1.81 2.07 -1.71 -2.38 116.25 116.69 1ktm h VAL 952 Ca -0.29 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ktm h VAL 952 Cb 2.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1ktm h VAL 952 CO 0.08 0.05 -0.03 1.55 0.02 0.00 0.00 177.57 179.24 1ktm h PRO 953 N 0.25 -0.08 -0.33 1.57 0.13 -1.80 -3.09 132.00 128.66 1ktm h PRO 953 Ca 0.35 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.52 1ktm h PRO 953 Cb 0.56 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1ktm h PRO 953 CO -0.45 0.52 -0.19 -1.33 -0.23 0.00 0.00 178.00 176.31 1ktm n MET 954 N -4.79 -0.14 0.02 0.86 2.81 -0.98 0.13 117.12 115.02 1ktm n MET 954 Ca -0.08 0.74 -0.10 0.00 -1.81 0.00 0.00 57.70 56.45 1ktm n MET 954 Cb 0.31 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 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 0.71 -1.12 2.03 2.07 -1.58 0.03 116.25 118.39 1ktm h VAL 955 Ca 0.05 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.88 1ktm h VAL 955 Cb 0.13 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 1ktm h VAL 955 CO -0.31 0.00 0.74 0.11 0.02 0.00 0.00 177.57 178.13 1ktm h LYS 956 N -0.16 0.26 -0.86 1.57 1.79 0.11 1.05 116.57 120.33 1ktm h LYS 956 Ca 0.06 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1ktm h LYS 956 Cb 0.24 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1ktm h LYS 956 CO -0.16 0.17 0.47 1.49 -1.08 0.00 0.00 179.45 180.35 1ktm h GLU 957 N 0.27 1.20 -0.84 3.15 4.22 0.27 -1.96 114.58 120.89 1ktm h GLU 957 Ca 0.62 -0.14 0.07 0.00 0.08 0.00 0.00 59.36 59.99 1ktm h GLU 957 Cb 1.83 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 30.78 1ktm h GLU 957 CO -0.26 0.88 0.52 -0.24 -2.18 0.00 0.00 179.01 177.73 1ktm h VAL 958 N 1.21 1.02 -0.96 0.32 3.04 0.14 -0.45 116.25 120.57 1ktm h VAL 958 Ca 0.30 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 1ktm h VAL 958 Cb 0.03 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 29.26 1ktm h VAL 958 CO -0.05 0.17 0.62 1.23 -1.01 0.00 0.00 177.57 178.53 1ktm h GLY 959 N 0.93 1.41 1.04 3.17 0.00 -1.11 1.89 103.07 110.40 1ktm h GLY 959 Ca 0.37 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1ktm h GLY 959 CO -0.18 0.36 -0.08 -2.00 0.00 0.00 0.00 176.54 174.64 1ktm h LEU 960 N 1.15 0.92 -0.14 3.11 6.46 -0.91 1.29 115.31 127.18 1ktm h LEU 960 Ca 0.40 -0.34 -0.18 0.00 -0.12 0.00 0.00 57.88 57.64 1ktm h LEU 960 Cb 0.11 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1ktm h LEU 960 CO -0.14 1.05 -0.61 0.00 -0.62 0.00 0.00 178.44 178.12 1ktm h ALA 961 N 0.91 0.27 -0.47 1.25 0.00 -0.10 -1.07 119.26 120.04 1ktm h ALA 961 Ca 0.13 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1ktm h ALA 961 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ktm h ALA 961 CO 0.04 0.53 -0.21 1.25 0.00 0.00 0.00 179.25 180.85 1ktm h LEU 962 N 0.34 1.00 0.11 0.00 7.12 0.30 -1.80 115.31 122.39 1ktm h LEU 962 Ca -0.04 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 1ktm h LEU 962 Cb 1.24 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1ktm h LEU 962 CO 0.13 1.16 -0.05 -0.09 -0.13 0.00 0.00 178.44 179.46 1ktm h ARG 963 N 0.84 -0.14 -0.07 1.25 9.65 0.17 -2.26 114.38 123.82 1ktm h ARG 963 Ca 0.11 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1ktm h ARG 963 Cb 0.79 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1ktm h ARG 963 CO 0.07 0.02 0.06 1.15 2.80 0.00 0.00 179.97 184.07 1ktm h THR 964 N -0.28 0.76 0.42 0.20 2.02 -1.14 -2.32 112.91 112.57 1ktm h THR 964 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ktm h THR 964 Cb 0.23 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1ktm h THR 964 CO 0.02 0.00 -0.37 0.25 0.37 0.00 0.00 175.52 175.79 1ktm h LEU 965 N 0.00 -0.99 -0.59 2.58 6.46 -0.71 0.79 115.31 122.85 1ktm h LEU 965 Ca 0.03 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1ktm h LEU 965 Cb 0.15 0.32 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 1ktm h LEU 965 CO -0.00 -0.53 -0.26 -0.07 -0.62 0.00 0.00 178.44 176.96 1ktm h LEU 966 N -0.80 -0.92 0.43 2.25 4.07 -1.30 1.30 115.31 120.34 1ktm h LEU 966 Ca -0.04 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1ktm h LEU 966 Cb 0.70 0.50 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1ktm h LEU 966 CO -0.03 -0.27 -0.27 0.00 -1.08 0.00 0.00 178.44 176.79 1ktm h ALA 967 N 1.23 -0.66 -0.91 1.53 0.00 -1.39 -0.70 119.26 118.36 1ktm h ALA 967 Ca 0.26 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1ktm h ALA 967 Cb 0.52 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1ktm h ALA 967 CO -0.66 -0.89 0.59 0.00 0.00 0.00 0.00 179.25 178.30 1ktm h THR 968 N -0.66 0.73 -0.70 0.00 1.03 0.23 0.29 112.91 113.82 1ktm h THR 968 Ca -0.05 -0.18 -0.07 0.00 -0.01 0.00 0.00 66.41 66.10 1ktm h THR 968 Cb 0.55 0.15 -0.03 0.00 -1.07 0.00 0.00 68.15 67.74 1ktm h THR 968 CO 0.05 0.10 0.18 0.58 -0.01 0.00 0.00 175.52 176.42 1ktm h VAL 969 N 0.54 1.26 -1.00 0.00 2.07 0.24 -2.23 116.25 117.13 1ktm h VAL 969 Ca 0.48 -0.95 0.20 0.00 0.82 0.00 0.00 66.70 67.25 1ktm h VAL 969 Cb 1.00 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 1ktm h VAL 969 CO -0.21 0.37 0.61 -0.78 0.02 0.00 0.00 177.57 177.58 1ktm h ASP 970 N 1.05 0.74 0.81 0.57 1.82 0.11 1.40 116.42 122.92 1ktm h ASP 970 Ca 0.22 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 1ktm h ASP 970 Cb 0.36 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1ktm h ASP 970 CO 0.00 0.23 -0.15 -0.33 -1.61 0.00 0.00 179.24 177.38 1ktm h GLU 971 N 0.71 0.00 0.05 0.28 5.08 -1.20 -2.62 114.58 116.87 1ktm h GLU 971 Ca 0.59 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.69 1ktm h GLU 971 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1ktm h GLU 971 CO -0.39 0.15 -1.36 1.03 -1.00 0.00 0.00 179.01 177.43 1ktm h SER 972 N 0.00 0.16 -0.83 1.42 0.87 0.18 -3.24 113.55 112.12 1ktm h SER 972 Ca -0.00 -0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.48 1ktm h SER 972 Cb 0.59 -0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 62.36 1ktm h SER 972 CO 0.02 1.18 -0.30 -0.11 -0.53 0.00 0.00 176.83 177.10 1ktm n LEU 973 N -3.33 -0.48 0.02 2.23 0.00 0.11 0.91 117.00 116.46 1ktm n LEU 973 Ca -0.10 1.44 -0.19 0.00 0.00 0.00 0.00 56.01 57.16 1ktm n LEU 973 Cb 1.01 -0.36 -0.09 0.00 0.00 0.00 0.00 43.42 43.98 1ktm n LEU 973 CO 0.48 -1.32 0.15 1.55 0.00 0.00 0.00 177.39 178.26 1ktm h PRO 974 N 0.00 0.73 -0.90 1.96 0.13 -1.70 -3.14 132.00 129.09 1ktm h PRO 974 Ca 0.31 -0.71 0.21 0.00 -0.87 0.00 0.00 66.00 64.94 1ktm h PRO 974 Cb 0.52 0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1ktm h PRO 974 CO -0.83 1.30 0.60 0.28 -0.23 0.00 0.00 178.00 179.11 1ktm h VAL 975 N 0.44 0.67 -2.28 1.56 2.07 0.40 -3.40 116.25 115.71 1ktm h VAL 975 Ca -0.10 -0.13 -0.53 0.00 0.82 0.00 0.00 66.70 66.76 1ktm h VAL 975 Cb 1.58 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1ktm h VAL 975 CO 0.19 0.07 -0.58 -0.76 0.02 0.00 0.00 177.57 176.51 1ktm s LEU 976 N -9.38 3.57 1.04 2.57 2.01 0.26 -4.90 118.68 113.85 1ktm s LEU 976 Ca -0.08 -0.39 -0.16 0.00 0.01 0.00 0.00 54.13 53.51 1ktm s LEU 976 Cb 0.23 -2.11 0.22 0.00 0.01 0.00 0.00 46.19 44.53 1ktm s LEU 976 CO 0.78 -0.01 1.20 -2.16 1.01 0.00 0.00 176.35 177.17 1ktm s PRO 977 N -3.68 0.07 0.20 1.29 0.04 -1.26 -4.78 135.00 126.89 1ktm s PRO 977 Ca 0.32 -0.11 0.16 0.00 0.04 0.00 0.00 61.00 61.41 1ktm s PRO 977 Cb -0.08 -1.75 0.81 0.00 0.04 0.00 0.00 34.50 33.52 1ktm s PRO 977 CO 0.23 -2.84 1.50 0.00 0.04 0.00 0.00 177.00 175.92 1ktm n ALA 978 N -4.14 1.23 0.31 8.56 0.00 -1.26 -1.42 120.51 123.80 1ktm n ALA 978 Ca 0.12 0.10 0.21 0.00 0.00 0.00 0.00 53.44 53.87 1ktm n ALA 978 Cb 0.59 -1.25 1.10 0.00 0.00 0.00 0.00 19.45 19.89 1ktm n ALA 978 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ktm h SER 979 N 0.00 0.00 -0.97 0.00 4.64 -1.94 -0.62 113.55 114.66 1ktm h SER 979 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ktm h SER 979 Cb 0.11 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.86 1ktm h SER 979 CO 0.00 0.00 0.37 0.35 -0.87 0.00 0.00 176.83 176.68 1ktm n THR 980 N -2.92 3.30 0.00 2.95 -2.24 -0.50 -4.64 114.28 110.23 1ktm n THR 980 Ca -0.03 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.37 1ktm n THR 980 Cb 0.07 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1ktm n THR 980 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ktm n HIS 981 N -0.84 0.00 -0.24 4.78 8.25 -0.24 -3.66 115.22 123.27 1ktm n HIS 981 Ca 0.57 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 58.04 1ktm n HIS 981 Cb 0.73 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.98 1ktm n HIS 981 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ktm h ARG 982 N 0.00 0.52 -0.67 -0.41 3.08 -1.87 -0.01 114.38 115.02 1ktm h ARG 982 Ca 0.00 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.16 1ktm h ARG 982 Cb 0.00 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 29.83 1ktm h ARG 982 CO 0.00 0.35 0.14 0.93 -1.07 0.00 0.00 179.97 180.32 1ktm h GLU 983 N 0.54 0.25 -0.26 0.04 5.08 -1.82 0.55 114.58 118.96 1ktm h GLU 983 Ca 0.35 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1ktm h GLU 983 Cb 0.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ktm h GLU 983 CO -0.29 0.16 -0.30 0.82 -1.00 0.00 0.00 179.01 178.40 1ktm h ILE 984 N 0.25 1.28 -0.68 3.13 2.04 -1.24 -1.37 117.51 120.92 1ktm h ILE 984 Ca 0.37 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 1ktm h ILE 984 Cb 0.59 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1ktm h ILE 984 CO -0.47 0.44 0.25 -0.33 0.00 0.00 0.00 178.15 178.04 1ktm h GLU 985 N 0.46 1.04 -0.22 2.37 5.08 0.14 0.25 114.58 123.69 1ktm h GLU 985 Ca 0.06 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1ktm h GLU 985 Cb 0.76 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ktm h GLU 985 CO 0.06 0.88 -0.43 0.52 -1.00 0.00 0.00 179.01 179.03 1ktm h MET 986 N 0.98 0.55 0.00 2.33 2.86 0.15 0.71 114.93 122.51 1ktm h MET 986 Ca 0.22 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1ktm h MET 986 Cb 0.25 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1ktm h MET 986 CO -0.01 0.88 -0.60 0.00 1.06 0.00 0.00 176.91 178.24 1ktm h ALA 987 N 1.08 0.93 0.15 6.32 0.00 -0.88 -2.13 119.26 124.73 1ktm h ALA 987 Ca 0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 1ktm h ALA 987 Cb 0.94 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ktm h ALA 987 CO 0.08 0.75 -1.29 1.96 0.00 0.00 0.00 179.25 180.75 1ktm h GLN 988 N 0.00 0.32 0.00 0.00 1.08 -0.22 -3.02 115.11 113.27 1ktm h GLN 988 Ca -0.01 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.63 1ktm h GLN 988 Cb 1.12 0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1ktm h GLN 988 CO 0.08 1.26 -0.04 1.57 -0.95 0.00 0.00 178.83 180.75 1ktm h LYS 989 N -0.21 0.00 0.24 1.46 5.09 0.43 -1.19 116.57 122.39 1ktm h LYS 989 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.47 1ktm h LYS 989 Cb 1.83 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.16 1ktm h LYS 989 CO 0.13 0.04 -0.12 -0.07 -2.09 0.00 0.00 179.45 177.34 1ktm h LEU 990 N 0.00 -0.28 -0.62 7.07 3.38 -1.44 -1.41 115.31 122.00 1ktm h LEU 990 Ca -0.00 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1ktm h LEU 990 Cb 0.10 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1ktm h LEU 990 CO 0.00 0.23 -0.05 0.25 0.09 0.00 0.00 178.44 178.96 1ktm h LEU 991 N -1.00 -0.37 0.28 1.67 5.85 -1.32 0.16 115.31 120.57 1ktm h LEU 991 Ca -0.03 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ktm h LEU 991 Cb 0.43 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1ktm h LEU 991 CO 0.06 -0.15 -0.19 -1.13 -0.34 0.00 0.00 178.44 176.69 1ktm h ASN 992 N 0.08 -0.49 -0.92 1.25 -1.24 -1.30 1.37 115.58 114.32 1ktm h ASN 992 Ca 0.32 0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.48 1ktm h ASN 992 Cb 0.52 0.15 -0.14 0.00 0.73 0.00 0.00 38.32 39.58 1ktm h ASN 992 CO -0.57 -0.28 -0.42 -0.24 -1.29 0.00 0.00 177.43 174.63 1ktm n SER 993 N -3.44 -0.72 -0.26 1.15 2.88 -0.53 0.17 113.62 112.87 1ktm n SER 993 Ca -0.05 1.62 -0.06 0.00 -1.33 0.00 0.00 58.87 59.05 1ktm n SER 993 Cb 0.19 -0.32 0.05 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.91 -0.58 -3.46 3.32 -0.53 -2.44 116.42 113.63 1ktm h ASP 994 Ca 0.27 -0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.32 1ktm h ASP 994 Cb 0.50 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 39.70 1ktm h ASP 994 CO -0.90 0.76 -0.17 0.25 -1.72 0.00 0.00 179.24 177.46 1ktm h LEU 995 N 1.00 -0.62 -0.03 1.55 5.85 1.22 0.49 115.31 124.76 1ktm h LEU 995 Ca 0.25 0.18 0.03 0.00 0.84 0.00 0.00 57.88 59.18 1ktm h LEU 995 Cb 0.07 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1ktm h LEU 995 CO -0.04 -0.21 -0.16 0.00 -0.34 0.00 0.00 178.44 177.69 1ktm h ALA 996 N 1.51 -0.16 -0.28 1.25 0.00 -0.28 0.63 119.26 121.92 1ktm h ALA 996 Ca 0.28 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1ktm h ALA 996 Cb 0.45 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ktm h ALA 996 CO -0.61 -0.64 0.23 1.49 0.00 0.00 0.00 179.25 179.72 1ktm h GLU 997 N -0.25 0.00 0.01 0.00 4.57 -0.56 0.48 114.58 118.84 1ktm h GLU 997 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1ktm h GLU 997 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ktm h GLU 997 CO -0.18 0.00 -0.14 1.25 -1.18 0.00 0.00 179.01 178.76 1ktm h LEU 998 N 0.00 0.10 0.34 1.64 5.85 0.22 -0.54 115.31 122.92 1ktm h LEU 998 Ca 0.13 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 1ktm h LEU 998 Cb 0.59 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1ktm h LEU 998 CO -0.00 0.96 -0.19 0.40 -0.34 0.00 0.00 178.44 179.27 1ktm h ILE 999 N -0.74 0.60 0.09 4.05 1.08 0.13 -1.44 117.51 121.29 1ktm h ILE 999 Ca -0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1ktm h ILE 999 Cb 0.99 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1ktm h ILE 999 CO 0.03 0.00 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.24 1ktm h ASN 1000N -0.50 -0.33 -0.91 1.72 -0.73 -0.21 -1.71 115.58 112.91 1ktm h ASN 1000Ca -0.04 0.04 0.22 0.00 1.87 0.00 0.00 56.30 58.39 1ktm h ASN 1000Cb 0.40 0.12 -0.17 0.00 0.27 0.00 0.00 38.32 38.95 1ktm h ASN 1000CO 0.05 -0.18 -0.03 0.50 -0.37 0.00 0.00 177.43 177.40 1ktm h LYS 1001N -0.26 0.04 0.04 6.67 1.63 -0.89 0.46 116.57 124.27 1ktm h LYS 1001Ca 0.01 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ktm h LYS 1001Cb 0.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1ktm h LYS 1001CO -0.05 0.03 -0.02 1.98 -3.45 0.00 0.00 179.45 177.93 1ktm h MET 1002N 0.04 -0.05 -0.79 1.90 4.05 -0.52 0.81 114.93 120.37 1ktm h MET 1002Ca 0.51 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 60.16 1ktm h MET 1002Cb 0.96 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1ktm h MET 1002CO -0.85 -0.02 0.63 0.87 0.23 0.00 0.00 176.91 177.77 1ktm h LYS 1003N -0.07 0.00 0.00 0.39 1.57 0.69 0.33 116.57 119.48 1ktm h LYS 1003Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1ktm h LYS 1003Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ktm h LYS 1003CO 0.01 0.00 -0.81 -0.07 -0.57 0.00 0.00 179.45 178.01 1ktm h LEU 1004N 0.00 0.00 -1.21 2.94 3.38 0.06 -3.35 115.31 117.14 1ktm h LEU 1004Ca 0.38 -0.58 0.29 0.00 0.09 0.00 0.00 57.88 58.05 1ktm h LEU 1004Cb 1.62 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 1ktm h LEU 1004CO -0.00 1.26 0.65 0.00 0.09 0.00 0.00 178.44 180.44 1ktm h ALA 1005N -0.42 2.11 -0.97 1.53 0.00 0.22 1.39 119.26 123.12 1ktm h ALA 1005Ca -0.21 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1ktm h ALA 1005Cb 1.11 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1ktm h ALA 1005CO -0.13 -0.59 0.62 1.96 0.00 0.00 0.00 179.25 181.11 1ktm h GLN 1006N 0.41 0.54 0.00 0.00 4.20 -0.55 0.15 115.11 119.85 1ktm h GLN 1006Ca 0.65 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 59.02 1ktm h GLN 1006Cb 1.56 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 29.16 1ktm h GLN 1006CO -0.41 0.36 -2.28 0.94 -0.67 0.00 0.00 178.83 176.76 1ktm n GLN 1007N -4.63 0.68 -0.66 1.46 7.27 0.31 -4.26 117.38 117.55 1ktm n GLN 1007Ca 0.22 -0.01 -0.13 0.00 0.07 0.00 0.00 57.00 57.15 1ktm n GLN 1007Cb 0.68 -1.54 0.09 0.00 2.41 0.00 0.00 30.24 31.88 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 -2.70 1.58 -0.02 3.69 4.01 0.39 -3.91 117.16 120.20 1ktm n TYR 1008Ca -0.28 -1.27 -0.03 0.00 -0.16 0.00 0.00 57.90 56.15 1ktm n TYR 1008Cb 1.07 -0.65 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.28 0.17 -0.31 -0.72 3.14 0.40 -1.68 118.33 119.05 1ktm n VAL 1009Ca 0.31 -0.04 0.34 0.00 -2.96 0.00 0.00 64.34 61.99 1ktm n VAL 1009Cb 1.05 -1.54 0.59 0.00 -1.06 0.00 0.00 33.84 32.88 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 -0.11 0.00 -6.20 1.45 -0.00 -1.78 -3.37 114.93 104.92 1ktm h MET 1010Ca -0.08 0.00 -0.48 0.00 -0.00 0.00 0.00 59.70 59.14 1ktm h MET 1010Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.64 1ktm h MET 1010CO -0.05 0.00 -0.36 -0.08 -0.00 0.00 0.00 176.91 176.42 1ktm s THR 1011N -4.60 2.68 0.66 -0.10 -1.32 -1.26 -4.97 115.64 106.72 1ktm s THR 1011Ca -0.04 -1.30 0.35 0.00 -1.21 0.00 0.00 61.69 59.49 1ktm s THR 1011Cb 0.18 -2.98 0.36 0.00 -1.51 0.00 0.00 72.50 68.55 1ktm s THR 1011CO 0.61 0.00 2.10 0.28 -2.21 0.00 0.00 174.62 175.40 1ktm h SER 1012N 0.97 0.00 -0.21 8.08 0.02 -1.91 0.23 113.55 120.73 1ktm h SER 1012Ca -0.41 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1ktm h SER 1012Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1ktm h SER 1012CO 0.56 0.00 0.49 0.25 -1.14 0.00 0.00 176.83 176.99 1ktm h LEU 1013N 0.00 0.00 0.00 5.07 7.12 -1.83 -2.90 115.31 122.77 1ktm h LEU 1013Ca 0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1ktm h LEU 1013Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1ktm h LEU 1013CO -0.00 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.98 1ktm n GLN 1014N -3.15 0.00 -0.63 1.25 0.00 0.07 0.78 117.38 115.69 1ktm n GLN 1014Ca 0.03 0.59 0.49 0.00 -0.00 0.00 0.00 57.00 58.11 1ktm n GLN 1014Cb 0.60 -1.14 0.75 0.00 0.00 0.00 0.00 30.24 30.45 1ktm n GLN 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ktm n GLN 1015N -1.49 0.00 0.28 3.69 10.64 -1.09 0.47 117.38 129.87 1ktm n GLN 1015Ca 0.00 1.07 -0.11 0.00 -1.83 0.00 0.00 57.00 56.12 1ktm n GLN 1015Cb 0.00 -2.50 -0.05 0.00 -0.86 0.00 0.00 30.24 26.83 1ktm n GLN 1015CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1ktm h GLU 1016N 0.00 -0.72 0.00 2.61 4.81 0.25 -2.57 114.58 118.96 1ktm h GLU 1016Ca 0.86 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 60.14 1ktm h GLU 1016Cb 3.63 0.16 0.00 0.00 0.63 0.00 0.00 28.75 33.17 1ktm h GLU 1016CO -0.01 -0.48 0.00 1.88 -0.73 0.00 0.00 179.01 179.67 1ktm h TYR 1017N -1.09 0.00 -0.26 0.92 -1.99 0.30 -1.96 116.97 112.89 1ktm h TYR 1017Ca -0.08 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.47 1ktm h TYR 1017Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1ktm h TYR 1017CO 0.02 0.00 -0.56 -0.22 -0.00 0.00 0.00 178.16 177.40 1ktm h LYS 1018N 0.00 0.83 -0.04 4.88 1.63 -0.23 -2.09 116.57 121.56 1ktm h LYS 1018Ca 0.00 -0.55 -0.12 0.00 -0.85 0.00 0.00 60.65 59.13 1ktm h LYS 1018Cb 0.23 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1ktm h LYS 1018CO 0.00 1.18 -0.51 0.87 -3.45 0.00 0.00 179.45 177.54 1ktm h LYS 1019N 0.59 0.10 0.38 1.90 1.79 -0.94 -2.63 116.57 117.75 1ktm h LYS 1019Ca 0.00 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ktm h LYS 1019Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1ktm h LYS 1019CO 0.12 0.59 -0.18 1.96 -1.08 0.00 0.00 179.45 180.86 1ktm h GLN 1020N 0.08 -0.49 -0.50 3.15 1.08 -1.33 0.35 115.11 117.44 1ktm h GLN 1020Ca -0.00 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.38 1ktm h GLN 1020Cb 0.93 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1ktm h GLN 1020CO 0.07 -0.33 0.57 0.00 -0.95 0.00 0.00 178.83 178.19 1ktm h MET 1021N -0.62 0.00 0.11 1.46 -0.00 -1.44 0.47 114.93 114.91 1ktm h MET 1021Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1ktm h MET 1021Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1ktm h MET 1021CO 0.09 0.00 -0.05 1.25 -0.00 0.00 0.00 176.91 178.19 1ktm h LEU 1022N 0.00 -0.12 -0.92 -0.10 6.46 -1.25 -0.58 115.31 118.80 1ktm h LEU 1022Ca 0.24 -0.44 0.28 0.00 -0.12 0.00 0.00 57.88 57.84 1ktm h LEU 1022Cb 1.37 0.03 -0.17 0.00 -0.73 0.00 0.00 40.66 41.17 1ktm h LEU 1022CO -0.00 0.50 0.13 0.41 -0.62 0.00 0.00 178.44 178.86 1ktm n THR 1023N -4.85 -0.38 0.03 1.05 -1.04 0.14 0.18 114.28 109.41 1ktm n THR 1023Ca -0.07 1.98 -0.04 0.00 -2.04 0.00 0.00 64.05 63.88 1ktm n THR 1023Cb 0.28 -2.96 -0.02 0.00 -1.82 0.00 0.00 70.33 65.80 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 1.83 -0.18 -0.82 2.41 0.00 -1.56 -2.66 119.26 118.28 1ktm h ALA 1024Ca 0.61 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.68 1ktm h ALA 1024Cb 1.36 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1ktm h ALA 1024CO -0.83 -0.18 0.94 0.00 0.00 0.00 0.00 179.25 179.19 1ktm h ALA 1025N -0.96 2.67 0.16 0.00 0.00 0.76 2.80 119.26 124.69 1ktm h ALA 1025Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ktm h ALA 1025Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ktm h ALA 1025CO 0.03 -1.36 -0.08 1.25 0.00 0.00 0.00 179.25 179.09 1ktm h HIS 1026N 0.00 -0.20 -0.72 0.00 2.76 0.19 -2.84 115.15 114.34 1ktm h HIS 1026Ca 0.39 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1ktm h HIS 1026Cb 2.26 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 31.26 1ktm h HIS 1026CO 0.00 -0.12 0.20 0.00 -1.30 0.00 0.00 177.93 176.70 1ktm h ALA 1027N -1.26 0.94 -0.05 5.26 0.00 -0.22 -3.02 119.26 120.91 1ktm h ALA 1027Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ktm h ALA 1027Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ktm h ALA 1027CO 0.04 0.65 -0.24 -0.07 0.00 0.00 0.00 179.25 179.63 1ktm h LEU 1028N 1.08 -0.76 -0.97 0.00 -0.00 0.46 1.58 115.31 116.69 1ktm h LEU 1028Ca 0.23 0.09 0.17 0.00 -0.00 0.00 0.00 57.88 58.37 1ktm h LEU 1028Cb 0.35 0.30 -0.17 0.00 -0.00 0.00 0.00 40.66 41.13 1ktm h LEU 1028CO -0.00 -0.22 -0.31 0.00 -0.00 0.00 0.00 178.44 177.91 1ktm n ALA 1029N -2.76 0.05 -0.19 1.53 0.00 -1.07 0.19 120.51 118.26 1ktm n ALA 1029Ca -0.03 1.02 -0.07 0.00 0.00 0.00 0.00 53.44 54.36 1ktm n ALA 1029Cb 0.17 -0.54 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 1.19 -0.41 0.00 2.07 -1.08 -2.27 116.25 115.75 1ktm h VAL 1030Ca 0.40 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1ktm h VAL 1030Cb 0.65 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1ktm h VAL 1030CO -0.99 0.21 0.08 0.44 0.02 0.00 0.00 177.57 177.33 1ktm h ASP 1031N 0.73 0.00 -0.03 0.57 3.32 1.35 0.49 116.42 122.85 1ktm h ASP 1031Ca 0.19 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1ktm h ASP 1031Cb 0.07 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ktm h ASP 1031CO -0.03 0.04 0.07 0.00 -1.72 0.00 0.00 179.24 177.60 1ktm h ALA 1032N 1.31 1.33 -0.05 3.45 0.00 0.88 -0.39 119.26 125.79 1ktm h ALA 1032Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ktm h ALA 1032Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ktm h ALA 1032CO -0.26 -0.09 -0.23 -0.22 0.00 0.00 0.00 179.25 178.45 1ktm h LYS 1033N 0.00 0.23 0.00 0.00 1.63 0.49 -2.94 116.57 115.98 1ktm h LYS 1033Ca 0.02 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1ktm h LYS 1033Cb 0.16 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1ktm h LYS 1033CO -0.00 0.84 -0.01 -2.95 -3.45 0.00 0.00 179.45 173.88 1ktm h ASN 1034N -0.32 0.00 0.54 4.20 7.08 -0.17 0.83 115.58 127.74 1ktm h ASN 1034Ca -0.02 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.18 1ktm h ASN 1034Cb 0.89 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.13 1ktm h ASN 1034CO 0.05 0.01 -0.26 0.25 -2.08 0.00 0.00 177.43 175.40 1ktm h LEU 1035N 0.00 -0.62 -0.46 6.14 6.46 -1.21 -1.69 115.31 123.93 1ktm h LEU 1035Ca -0.00 0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 1ktm h LEU 1035Cb 0.05 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1ktm h LEU 1035CO 0.00 -0.34 -0.30 0.25 -0.62 0.00 0.00 178.44 177.43 1ktm h LEU 1036N -0.94 0.99 -0.97 2.25 5.85 -1.38 -2.77 115.31 118.34 1ktm h LEU 1036Ca -0.07 -0.41 0.22 0.00 0.84 0.00 0.00 57.88 58.46 1ktm h LEU 1036Cb 0.56 -0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.19 1ktm h LEU 1036CO 0.12 1.21 0.54 -0.78 -0.34 0.00 0.00 178.44 179.19 1ktm h ASP 1037N 0.80 0.61 0.81 1.25 3.58 0.62 1.65 116.42 125.73 1ktm h ASP 1037Ca 0.08 0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 1ktm h ASP 1037Cb 0.88 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1ktm h ASP 1037CO 0.08 0.12 -0.41 1.62 -2.88 0.00 0.00 179.24 177.77 1ktm h VAL 1038N 0.58 0.97 0.08 2.25 3.04 -1.04 -2.11 116.25 120.02 1ktm h VAL 1038Ca 0.60 -1.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1ktm h VAL 1038Cb 1.09 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1ktm h VAL 1038CO -0.46 0.40 -0.04 0.40 -1.01 0.00 0.00 177.57 176.86 1ktm h ILE 1039N 0.00 1.17 -0.18 3.17 2.04 0.23 -0.48 117.51 123.46 1ktm h ILE 1039Ca -0.00 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.55 1ktm h ILE 1039Cb 0.92 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 1ktm h ILE 1039CO 0.05 0.31 -0.19 -0.78 0.00 0.00 0.00 178.15 177.55 1ktm h ASP 1040N -0.78 -0.58 0.26 1.72 1.82 0.22 0.59 116.42 119.67 1ktm h ASP 1040Ca -0.01 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1ktm h ASP 1040Cb 0.59 0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 1ktm h ASP 1040CO 0.02 -0.23 -0.11 1.56 -1.61 0.00 0.00 179.24 178.87 1ktm h GLN 1041N -0.21 0.00 0.29 0.28 4.20 -1.46 -2.86 115.11 115.35 1ktm h GLN 1041Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1ktm h GLN 1041Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ktm h GLN 1041CO -0.30 0.11 -0.14 0.00 -0.67 0.00 0.00 178.83 177.83 1ktm h ALA 1042N 1.89 -0.39 -0.62 3.87 0.00 0.11 -2.90 119.26 121.23 1ktm h ALA 1042Ca -0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ktm h ALA 1042Cb 0.27 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1ktm h ALA 1042CO 0.01 -0.41 -0.36 -2.13 0.00 0.00 0.00 179.25 176.36 1ktm n ARG 1043N -5.04 -0.27 -0.30 0.00 0.63 0.18 0.15 116.66 112.00 1ktm n ARG 1043Ca -0.07 1.25 0.13 0.00 -0.92 0.00 0.00 57.85 58.24 1ktm n ARG 1043Cb 0.23 -1.85 0.30 0.00 0.45 0.00 0.00 32.46 31.60 1ktm n ARG 1043CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ktm h LEU 1044N 0.00 0.27 -1.54 6.15 8.10 -1.64 0.91 115.31 127.55 1ktm h LEU 1044Ca 0.10 0.16 0.41 0.00 0.11 0.00 0.00 57.88 58.66 1ktm h LEU 1044Cb 0.25 0.16 -0.11 0.00 -0.44 0.00 0.00 40.66 40.52 1ktm h LEU 1044CO -0.58 -0.03 0.89 0.50 -4.11 0.00 0.00 178.44 175.10 1ktm h LYS 1045N 0.36 0.12 0.01 0.17 3.64 0.16 0.29 116.57 121.32 1ktm h LYS 1045Ca 0.56 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.83 1ktm h LYS 1045Cb 1.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1ktm h LYS 1045CO -0.55 0.08 -0.55 1.98 -2.27 0.00 0.00 179.45 178.13 1ktm h MET 1046N 0.12 0.03 -0.45 1.90 4.05 0.12 -3.37 114.93 117.32 1ktm h MET 1046Ca 0.76 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 60.20 1ktm h MET 1046Cb 2.49 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 33.22 1ktm h MET 1046CO -0.30 1.02 -0.47 0.82 0.23 0.00 0.00 176.91 178.22 1ktm h ILE 1047N -0.92 0.07 -0.28 1.77 5.03 0.17 -0.70 117.51 122.65 1ktm h ILE 1047Ca -0.14 0.00 -0.59 0.00 -0.12 0.00 0.00 64.86 64.00 1ktm h ILE 1047Cb 1.18 0.07 -0.03 0.00 -3.03 0.00 0.00 36.82 35.02 1ktm h ILE 1047CO -0.06 0.00 2.67 -0.24 -0.68 0.00 0.00 178.15 179.84 1ktm n SER 1048N -5.40 7.92 -1.23 1.72 2.88 0.41 -3.47 113.62 116.45 1ktm n SER 1048Ca -0.01 -2.70 -0.03 0.00 -1.33 0.00 0.00 58.87 54.80 1ktm n SER 1048Cb 0.35 -1.48 -0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1ktm n SER 1048CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ktm n GLN 1049N 2.89 0.25 -2.77 -1.46 6.02 -0.27 -4.92 117.38 117.12 1ktm n GLN 1049Ca 0.68 -0.62 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 1ktm n GLN 1049Cb 0.37 0.42 0.01 0.00 1.02 0.00 0.00 30.24 32.07 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ktm s SER 1050N -0.61 -1.11 -0.09 1.08 0.15 -1.23 -5.00 113.70 106.89 1ktm s SER 1050Ca 0.02 -1.25 -0.36 0.00 0.70 0.00 0.00 55.95 55.06 1ktm s SER 1050Cb 0.08 1.45 -0.13 0.00 -1.71 0.00 0.00 66.02 65.71 1ktm s SER 1050CO -0.02 -0.05 1.77 -1.14 1.20 0.00 0.00 173.24 175.00 1ktm n ARG 1051N 2.98 1.84 -1.55 5.44 0.63 -1.26 -4.94 116.66 119.80 1ktm n ARG 1051Ca 0.15 0.67 -0.29 0.00 -0.92 0.00 0.00 57.85 57.46 1ktm n ARG 1051Cb 0.59 -2.45 0.11 0.00 0.45 0.00 0.00 32.46 31.15 1ktm n ARG 1051CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ktm s PRO 1052N 3.26 1.65 0.00 -0.14 0.04 -1.26 -5.26 135.00 133.30 1ktm s PRO 1052Ca 0.92 0.48 0.26 0.00 0.04 0.00 0.00 61.00 62.70 1ktm s PRO 1052Cb -0.81 -1.88 0.65 0.00 0.04 0.00 0.00 34.50 32.51 1ktm s PRO 1052CO 0.53 -1.88 1.52 1.58 0.04 0.00 0.00 177.00 178.79