#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm n ALA 916 N 0.00 1.41 -2.21 3.17 0.00 -1.26 -4.91 120.51 116.71 1ktm n ALA 916 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1ktm n ALA 916 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 1ktm n ALA 916 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ktm s ASN 917 N 7.71 7.23 -1.35 0.00 4.22 -1.26 -4.96 114.94 126.53 1ktm s ASN 917 Ca 1.05 1.46 -0.16 0.00 -2.14 0.00 0.00 52.86 53.06 1ktm s ASN 917 Cb -0.61 -2.45 0.03 0.00 1.28 0.00 0.00 41.25 39.50 1ktm s ASN 917 CO 0.43 0.16 2.06 0.18 -2.04 0.00 0.00 177.10 177.89 1ktm n LEU 918 N 2.08 5.96 -0.05 3.54 4.32 -1.26 -4.50 117.00 127.10 1ktm n LEU 918 Ca -0.06 -3.93 -0.05 0.00 -0.02 0.00 0.00 56.01 51.95 1ktm n LEU 918 Cb 0.50 -1.64 -0.02 0.00 -1.62 0.00 0.00 43.42 40.64 1ktm n LEU 918 CO 0.45 0.61 -0.36 -0.67 -1.22 0.00 0.00 177.39 176.20 1ktm n ASP 919 N 7.14 1.05 -4.42 -1.43 -0.08 -1.26 -4.74 116.55 112.81 1ktm n ASP 919 Ca 0.51 0.18 -0.44 0.00 -1.51 0.00 0.00 54.79 53.54 1ktm n ASP 919 Cb 0.41 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1ktm n ASP 919 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ktm n ARG 920 N -3.56 3.34 -0.73 -0.67 1.74 -1.26 -4.87 116.66 110.65 1ktm n ARG 920 Ca -0.07 -3.68 -0.21 0.00 -0.77 0.00 0.00 57.85 53.12 1ktm n ARG 920 Cb 0.28 -3.13 -0.02 0.00 -1.02 0.00 0.00 32.46 28.56 1ktm n ARG 920 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ktm n SER 921 N 6.06 4.82 0.27 0.55 7.64 -1.26 -4.40 113.62 127.29 1ktm n SER 921 Ca 0.40 -2.30 0.16 0.00 1.01 0.00 0.00 58.87 58.14 1ktm n SER 921 Cb 0.43 -1.08 0.68 0.00 -1.01 0.00 0.00 64.21 63.23 1ktm n SER 921 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ktm h ASN 922 N 6.11 0.00 0.66 6.43 -1.07 -1.98 -2.03 115.58 123.70 1ktm h ASN 922 Ca 0.47 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.66 1ktm h ASN 922 Cb 0.22 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 1ktm h ASN 922 CO 1.35 0.05 -0.81 0.44 0.07 0.00 0.00 177.43 178.53 1ktm h ASP 923 N 0.00 0.14 -0.05 6.14 3.32 -1.98 -1.63 116.42 122.37 1ktm h ASP 923 Ca -0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1ktm h ASP 923 Cb 0.51 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1ktm h ASP 923 CO 0.01 0.89 -0.01 0.50 -1.72 0.00 0.00 179.24 178.90 1ktm h LYS 924 N 0.06 0.09 -0.80 3.56 3.64 -1.73 0.87 116.57 122.26 1ktm h LYS 924 Ca -0.02 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ktm h LYS 924 Cb 1.41 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 1ktm h LYS 924 CO 0.12 0.41 0.36 0.28 -2.27 0.00 0.00 179.45 178.35 1ktm h VAL 925 N -0.24 1.26 0.00 2.00 2.07 -1.53 -1.63 116.25 118.17 1ktm h VAL 925 Ca 0.01 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1ktm h VAL 925 Cb 0.38 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ktm h VAL 925 CO 0.00 0.31 -0.37 1.88 0.02 0.00 0.00 177.57 179.42 1ktm h TYR 926 N 1.14 0.00 0.17 1.57 -1.99 -1.16 -2.97 116.97 113.73 1ktm h TYR 926 Ca 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.99 1ktm h TYR 926 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1ktm h TYR 926 CO 0.02 0.37 -0.08 0.93 -0.00 0.00 0.00 178.16 179.39 1ktm h GLU 927 N 0.00 -0.22 -0.65 4.88 4.39 0.17 -2.61 114.58 120.54 1ktm h GLU 927 Ca -0.00 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.81 1ktm h GLU 927 Cb 0.98 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.56 1ktm h GLU 927 CO 0.05 -0.15 -0.42 -0.91 -1.16 0.00 0.00 179.01 176.42 1ktm h ASN 928 N -0.34 -1.47 -0.95 1.42 4.21 -1.44 1.62 115.58 118.62 1ktm h ASN 928 Ca -0.02 0.25 0.09 0.00 1.21 0.00 0.00 56.30 57.83 1ktm h ASN 928 Cb 0.18 0.69 -0.12 0.00 -1.12 0.00 0.00 38.32 37.94 1ktm h ASN 928 CO 0.04 -0.32 -0.58 0.58 -1.29 0.00 0.00 177.43 175.86 1ktm h VAL 929 N -0.18 0.00 0.36 2.81 2.07 -1.61 1.04 116.25 120.74 1ktm h VAL 929 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1ktm h VAL 929 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ktm h VAL 929 CO -0.73 0.00 -0.17 0.71 0.02 0.00 0.00 177.57 177.39 1ktm h THR 930 N -0.03 0.00 -0.77 2.57 1.35 -0.52 0.17 112.91 115.68 1ktm h THR 930 Ca 0.16 -0.19 0.24 0.00 -0.55 0.00 0.00 66.41 66.07 1ktm h THR 930 Cb 0.43 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.71 1ktm h THR 930 CO -0.92 0.00 0.10 0.61 -0.25 0.00 0.00 175.52 175.07 1ktm n GLY 931 N -0.23 -0.95 0.08 5.82 0.00 0.53 0.20 105.19 110.64 1ktm n GLY 931 Ca -0.06 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.06 -0.32 0.99 8.10 0.11 -2.47 115.31 121.67 1ktm h LEU 932 Ca 0.51 -0.56 0.07 0.00 0.11 0.00 0.00 57.88 58.00 1ktm h LEU 932 Cb 1.13 0.01 -0.07 0.00 -0.44 0.00 0.00 40.66 41.30 1ktm h LEU 932 CO -0.70 0.57 -0.13 0.58 -4.11 0.00 0.00 178.44 174.65 1ktm h VAL 933 N -0.72 0.57 -0.77 0.15 2.07 0.41 1.31 116.25 119.27 1ktm h VAL 933 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1ktm h VAL 933 Cb 0.62 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1ktm h VAL 933 CO 0.01 0.00 0.36 0.11 0.02 0.00 0.00 177.57 178.07 1ktm h LYS 934 N -0.08 0.53 -0.03 1.57 1.57 0.23 -1.15 116.57 119.21 1ktm h LYS 934 Ca 0.16 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1ktm h LYS 934 Cb 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ktm h LYS 934 CO -0.37 0.35 -0.01 0.00 -0.57 0.00 0.00 179.45 178.85 1ktm h ALA 935 N 1.51 0.05 -0.94 3.86 0.00 -0.43 0.22 119.26 123.53 1ktm h ALA 935 Ca 0.41 -0.22 0.35 0.00 0.00 0.00 0.00 54.91 55.45 1ktm h ALA 935 Cb 0.55 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.16 1ktm h ALA 935 CO -0.35 -0.23 0.35 0.28 0.00 0.00 0.00 179.25 179.30 1ktm n VAL 936 N -4.84 -0.40 -0.03 0.00 0.31 0.43 0.86 118.33 114.66 1ktm n VAL 936 Ca -0.08 1.96 -0.01 0.00 -0.01 0.00 0.00 64.34 66.21 1ktm n VAL 936 Cb 0.23 -3.08 -0.00 0.00 -0.91 0.00 0.00 33.84 30.08 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 -0.77 2.52 5.03 -1.21 -3.35 117.51 119.72 1ktm h ILE 937 Ca 0.72 -0.58 0.30 0.00 -0.12 0.00 0.00 64.86 65.19 1ktm h ILE 937 Cb 1.81 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 35.49 1ktm h ILE 937 CO -0.78 0.00 0.45 -0.62 -0.68 0.00 0.00 178.15 176.52 1ktm n GLU 938 N -3.61 -0.04 0.02 2.37 4.71 0.77 0.05 120.64 124.92 1ktm n GLU 938 Ca -0.02 0.92 -0.02 0.00 -0.01 0.00 0.00 57.16 58.03 1ktm n GLU 938 Cb 0.06 -1.70 -0.01 0.00 -1.01 0.00 0.00 31.44 28.78 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 -0.09 -1.77 3.49 4.05 0.33 -0.41 114.93 120.53 1ktm h MET 939 Ca 0.59 0.01 0.52 0.00 -0.28 0.00 0.00 59.70 60.54 1ktm h MET 939 Cb 1.67 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 32.41 1ktm h MET 939 CO -0.46 -0.06 1.26 0.77 0.23 0.00 0.00 176.91 178.65 1ktm h SER 940 N -0.09 0.03 -0.24 1.39 0.02 -0.52 2.25 113.55 116.38 1ktm h SER 940 Ca -0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1ktm h SER 940 Cb 0.09 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ktm h SER 940 CO -0.02 -0.02 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.31 1ktm h SER 941 N 0.01 0.46 -0.49 3.07 0.87 -0.87 -2.99 113.55 113.61 1ktm h SER 941 Ca 0.87 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.97 1ktm h SER 941 Cb 3.40 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 65.18 1ktm h SER 941 CO -0.06 0.71 0.08 2.29 -0.53 0.00 0.00 176.83 179.33 1ktm n LYS 942 N -4.57 3.46 -0.11 2.24 2.85 0.62 -4.44 118.16 118.21 1ktm n LYS 942 Ca -0.04 -3.03 -0.20 0.00 -1.05 0.00 0.00 58.31 53.99 1ktm n LYS 942 Cb 0.29 -2.05 -0.09 0.00 -0.65 0.00 0.00 35.03 32.53 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 1.51 -0.38 0.58 0.00 0.58 -2.56 119.36 118.83 1ktm n ILE 943 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 62.75 62.99 1ktm n ILE 943 Cb 1.13 -2.09 0.04 0.00 0.00 0.00 0.00 39.64 38.72 1ktm n ILE 943 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ktm n GLN 944 N -4.42 -0.24 0.01 9.51 6.02 -1.22 -1.71 117.38 125.33 1ktm n GLN 944 Ca -0.32 1.53 -0.10 0.00 -0.01 0.00 0.00 57.00 58.10 1ktm n GLN 944 Cb 0.65 -2.27 -0.08 0.00 1.02 0.00 0.00 30.24 29.55 1ktm n GLN 944 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ktm h PRO 945 N 0.00 -0.13 -3.74 -1.09 0.13 -1.84 -3.46 132.00 121.87 1ktm h PRO 945 Ca 0.34 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.98 1ktm h PRO 945 Cb 0.59 0.03 0.03 0.00 0.13 0.00 0.00 31.00 31.78 1ktm h PRO 945 CO -0.99 0.38 0.10 0.00 -0.23 0.00 0.00 178.00 177.27 1ktm n ALA 946 N -2.58 -2.20 -1.52 -0.56 0.00 -0.69 -4.89 120.51 108.07 1ktm n ALA 946 Ca -0.07 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1ktm n ALA 946 Cb 0.28 -1.11 0.21 0.00 0.00 0.00 0.00 19.45 18.82 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 0.31 -0.16 0.46 0.00 0.04 -1.26 -4.81 135.00 129.58 1ktm s PRO 947 Ca 0.58 -0.20 0.28 0.00 0.04 0.00 0.00 61.00 61.70 1ktm s PRO 947 Cb -0.82 -1.73 0.87 0.00 0.04 0.00 0.00 34.50 32.86 1ktm s PRO 947 CO 0.38 -2.98 1.79 -1.00 0.04 0.00 0.00 177.00 175.23 1ktm h PRO 948 N -2.05 0.00 0.00 0.56 0.13 -1.90 -0.15 132.00 128.59 1ktm h PRO 948 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ktm h PRO 948 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ktm h PRO 948 CO 0.38 0.00 -0.41 0.93 -0.23 0.00 0.00 178.00 178.67 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 4.39 -1.95 -3.08 114.58 114.79 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 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1ktm h GLU 949 CO 0.00 0.00 -0.17 -1.91 -1.16 0.00 0.00 179.01 175.77 1ktm n GLU 950 N -2.40 1.76 -0.04 2.33 4.07 -1.03 -4.51 120.64 120.83 1ktm n GLU 950 Ca 0.03 -0.72 -0.16 0.00 -0.06 0.00 0.00 57.16 56.26 1ktm n GLU 950 Cb 0.47 -1.12 -0.14 0.00 -0.06 0.00 0.00 31.44 30.59 1ktm n GLU 950 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1ktm n TYR 951 N -0.08 0.82 -0.17 4.31 9.36 -0.10 -2.84 117.16 128.45 1ktm n TYR 951 Ca 0.05 0.21 -0.02 0.00 3.32 0.00 0.00 57.90 61.47 1ktm n TYR 951 Cb 0.23 -1.12 0.08 0.00 -0.63 0.00 0.00 39.34 37.89 1ktm n TYR 951 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ktm h VAL 952 N 0.03 0.71 0.01 2.97 2.07 -1.77 -2.51 116.25 117.76 1ktm h VAL 952 Ca -0.43 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1ktm h VAL 952 Cb 2.03 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ktm h VAL 952 CO 0.05 0.05 -0.00 1.55 0.02 0.00 0.00 177.57 179.23 1ktm h PRO 953 N 0.25 -0.01 0.00 1.57 0.13 -1.81 -2.95 132.00 129.18 1ktm h PRO 953 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1ktm h PRO 953 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1ktm h PRO 953 CO -0.34 0.73 0.00 -1.33 -0.23 0.00 0.00 178.00 176.83 1ktm n MET 954 N -4.73 0.00 0.04 0.86 2.81 -1.06 -0.01 117.12 115.03 1ktm n MET 954 Ca -0.09 0.64 -0.11 0.00 -1.81 0.00 0.00 57.70 56.33 1ktm n MET 954 Cb 0.36 -0.99 -0.04 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.43 -1.69 2.03 2.07 -1.62 0.14 116.25 117.61 1ktm h VAL 955 Ca 0.00 0.00 0.52 0.00 0.82 0.00 0.00 66.70 68.04 1ktm h VAL 955 Cb 0.00 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 1ktm h VAL 955 CO 0.00 0.00 1.18 0.29 0.02 0.00 0.00 177.57 179.06 1ktm n LYS 956 N -5.37 -0.01 0.18 1.57 4.76 0.41 0.11 118.16 119.80 1ktm n LYS 956 Ca -0.04 1.09 -0.10 0.00 -2.87 0.00 0.00 58.31 56.39 1ktm n LYS 956 Cb 0.28 -2.37 -0.06 0.00 -1.84 0.00 0.00 35.03 31.04 1ktm n LYS 956 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1ktm h GLU 957 N 0.00 -0.50 -0.93 1.97 4.22 0.24 -2.76 114.58 116.83 1ktm h GLU 957 Ca 0.88 0.03 0.24 0.00 0.08 0.00 0.00 59.36 60.60 1ktm h GLU 957 Cb 3.30 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 32.53 1ktm h GLU 957 CO -0.16 -0.24 0.43 -0.24 -2.18 0.00 0.00 179.01 176.62 1ktm h VAL 958 N -1.06 0.43 -0.72 0.32 3.04 0.97 0.56 116.25 119.78 1ktm h VAL 958 Ca -0.05 -0.13 0.05 0.00 -1.01 0.00 0.00 66.70 65.55 1ktm h VAL 958 Cb 0.49 0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.73 1ktm h VAL 958 CO 0.09 0.07 0.43 1.23 -1.01 0.00 0.00 177.57 178.38 1ktm h GLY 959 N 0.38 1.06 1.00 3.17 0.00 -1.04 -1.79 103.07 105.85 1ktm h GLY 959 Ca 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ktm h GLY 959 CO -0.55 0.23 0.30 -2.00 0.00 0.00 0.00 176.54 174.52 1ktm h LEU 960 N 0.82 0.53 -0.10 3.11 6.46 0.39 -1.66 115.31 124.86 1ktm h LEU 960 Ca 0.31 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.08 1ktm h LEU 960 Cb 0.11 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 1ktm h LEU 960 CO -0.15 0.39 -0.43 0.00 -0.62 0.00 0.00 178.44 177.64 1ktm h ALA 961 N 1.16 -0.63 -0.50 1.25 0.00 -0.45 0.25 119.26 120.34 1ktm h ALA 961 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1ktm h ALA 961 Cb -0.06 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1ktm h ALA 961 CO -0.04 -0.95 -0.14 -0.07 0.00 0.00 0.00 179.25 178.06 1ktm h LEU 962 N -0.52 -0.50 -0.19 0.00 3.38 -1.11 1.09 115.31 117.46 1ktm h LEU 962 Ca 0.07 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1ktm h LEU 962 Cb 0.64 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1ktm h LEU 962 CO -0.38 -0.18 -0.54 -0.09 0.09 0.00 0.00 178.44 177.35 1ktm h ARG 963 N -0.02 -0.52 -0.82 1.13 9.65 -0.21 1.14 114.38 124.74 1ktm h ARG 963 Ca 0.24 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1ktm h ARG 963 Cb 0.38 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1ktm h ARG 963 CO -0.52 -0.35 0.44 1.15 2.80 0.00 0.00 179.97 183.48 1ktm h THR 964 N -0.54 1.24 -0.61 0.20 2.02 -0.03 -1.54 112.91 113.66 1ktm h THR 964 Ca 0.05 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1ktm h THR 964 Cb 0.66 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ktm h THR 964 CO -0.47 0.27 0.35 0.25 0.37 0.00 0.00 175.52 176.30 1ktm h LEU 965 N 1.15 0.73 0.20 2.58 6.46 0.28 -0.47 115.31 126.24 1ktm h LEU 965 Ca 0.29 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1ktm h LEU 965 Cb 0.04 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 1ktm h LEU 965 CO -0.04 0.57 -0.24 0.25 -0.62 0.00 0.00 178.44 178.36 1ktm h LEU 966 N 0.83 -0.65 -0.74 2.25 6.46 0.23 0.02 115.31 123.72 1ktm h LEU 966 Ca 0.22 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.07 1ktm h LEU 966 Cb -0.01 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1ktm h LEU 966 CO -0.04 -0.34 0.47 0.00 -0.62 0.00 0.00 178.44 177.91 1ktm h ALA 967 N 0.21 0.96 -0.73 1.25 0.00 -1.23 -1.73 119.26 118.00 1ktm h ALA 967 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1ktm h ALA 967 Cb 0.47 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1ktm h ALA 967 CO -0.08 0.26 0.31 1.15 0.00 0.00 0.00 179.25 180.89 1ktm h THR 968 N 0.92 0.72 -0.58 0.00 2.02 -0.39 0.23 112.91 115.83 1ktm h THR 968 Ca 0.29 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 67.39 1ktm h THR 968 Cb 0.01 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 1ktm h THR 968 CO -0.11 0.09 0.24 0.58 0.37 0.00 0.00 175.52 176.69 1ktm h VAL 969 N 0.49 0.83 -0.83 3.16 2.07 -0.09 0.21 116.25 122.09 1ktm h VAL 969 Ca 0.38 -0.15 0.19 0.00 0.82 0.00 0.00 66.70 67.95 1ktm h VAL 969 Cb 0.53 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 1ktm h VAL 969 CO -0.35 0.08 0.28 -0.78 0.02 0.00 0.00 177.57 176.82 1ktm h ASP 970 N 0.45 0.16 1.16 0.57 3.58 -0.71 1.88 116.42 123.50 1ktm h ASP 970 Ca 0.28 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.86 1ktm h ASP 970 Cb 0.30 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1ktm h ASP 970 CO -0.26 -0.03 -0.13 -0.33 -2.88 0.00 0.00 179.24 175.60 1ktm h GLU 971 N 0.33 0.00 0.00 0.28 5.08 -0.77 -2.80 114.58 116.70 1ktm h GLU 971 Ca 0.50 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1ktm h GLU 971 Cb 0.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1ktm h GLU 971 CO -0.54 0.13 -1.19 1.03 -1.00 0.00 0.00 179.01 177.45 1ktm h SER 972 N 0.00 0.00 -0.90 1.42 0.87 0.35 -3.26 113.55 112.03 1ktm h SER 972 Ca -0.00 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.73 1ktm h SER 972 Cb 0.75 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.54 1ktm h SER 972 CO 0.02 0.76 -0.28 0.25 -0.53 0.00 0.00 176.83 177.05 1ktm h LEU 973 N 0.00 -1.03 -0.19 2.23 6.46 0.25 0.41 115.31 123.44 1ktm h LEU 973 Ca -0.12 0.28 -0.22 0.00 -0.12 0.00 0.00 57.88 57.69 1ktm h LEU 973 Cb 1.69 0.62 0.01 0.00 -0.73 0.00 0.00 40.66 42.24 1ktm h LEU 973 CO 0.08 -0.30 -0.89 1.55 -0.62 0.00 0.00 178.44 178.26 1ktm h PRO 974 N -0.02 0.51 -1.21 5.25 0.13 -1.71 -3.12 132.00 131.83 1ktm h PRO 974 Ca 0.39 -0.50 0.35 0.00 -0.87 0.00 0.00 66.00 65.37 1ktm h PRO 974 Cb 0.64 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 31.82 1ktm h PRO 974 CO -0.93 1.13 0.83 0.28 -0.23 0.00 0.00 178.00 179.09 1ktm h VAL 975 N 0.31 0.38 -3.54 1.56 2.07 -0.29 -3.38 116.25 113.37 1ktm h VAL 975 Ca -0.07 -0.05 -0.67 0.00 0.82 0.00 0.00 66.70 66.73 1ktm h VAL 975 Cb 1.51 0.22 -0.16 0.00 -1.52 0.00 0.00 31.29 31.35 1ktm h VAL 975 CO 0.16 0.03 -0.69 -0.76 0.02 0.00 0.00 177.57 176.33 1ktm s LEU 976 N -8.90 3.26 0.00 2.57 2.01 -0.28 -4.97 118.68 112.37 1ktm s LEU 976 Ca -0.07 -0.12 -0.01 0.00 0.01 0.00 0.00 54.13 53.95 1ktm s LEU 976 Cb 0.25 -1.88 0.01 0.00 0.01 0.00 0.00 46.19 44.58 1ktm s LEU 976 CO 0.81 0.28 0.04 -0.81 1.01 0.00 0.00 176.35 177.67 1ktm n PRO 977 N 1.46 -0.55 -0.10 1.29 -0.04 -1.26 -4.85 135.00 130.95 1ktm n PRO 977 Ca -0.15 -0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 1ktm n PRO 977 Cb 0.53 -0.04 0.11 0.00 -0.04 0.00 0.00 33.50 34.05 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 -3.04 -2.00 0.00 0.55 0.00 -1.26 -3.80 120.51 110.97 1ktm n ALA 978 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ktm n ALA 978 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1ktm n ALA 978 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ktm n SER 979 N -3.86 0.00 -2.19 0.00 2.88 -1.26 -4.61 113.62 104.58 1ktm n SER 979 Ca 0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.30 1ktm n SER 979 Cb 0.23 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1ktm n SER 979 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ktm n THR 980 N 0.00 2.98 0.00 2.46 5.66 -1.25 -4.71 114.28 119.42 1ktm n THR 980 Ca 0.00 -3.77 0.00 0.00 -3.05 0.00 0.00 64.05 57.23 1ktm n THR 980 Cb 0.00 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 1ktm n THR 980 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1ktm n HIS 981 N -0.77 0.00 0.13 1.09 8.25 -1.26 -3.72 115.22 118.94 1ktm n HIS 981 Ca 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.84 1ktm n HIS 981 Cb 0.81 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.86 1ktm n HIS 981 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ktm h ARG 982 N 0.00 -0.46 -0.99 -0.41 1.12 -1.99 -1.61 114.38 110.03 1ktm h ARG 982 Ca 0.00 0.03 0.34 0.00 -1.11 0.00 0.00 59.98 59.24 1ktm h ARG 982 Cb 0.00 0.11 -0.18 0.00 -0.01 0.00 0.00 29.97 29.89 1ktm h ARG 982 CO 0.00 -0.31 0.30 1.49 -3.11 0.00 0.00 179.97 178.35 1ktm h GLU 983 N -0.48 0.03 -0.32 0.20 4.81 -1.84 1.67 114.58 118.65 1ktm h GLU 983 Ca 0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ktm h GLU 983 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ktm h GLU 983 CO -0.12 0.02 0.02 0.82 -0.73 0.00 0.00 179.01 179.02 1ktm h ILE 984 N 0.03 1.25 -0.66 2.32 2.04 -1.40 0.31 117.51 121.39 1ktm h ILE 984 Ca 0.72 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ktm h ILE 984 Cb 1.73 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1ktm h ILE 984 CO -0.82 0.29 0.42 -0.08 0.00 0.00 0.00 178.15 177.96 1ktm h GLU 985 N 0.36 0.88 -0.00 2.37 4.22 0.29 -1.27 114.58 121.42 1ktm h GLU 985 Ca 0.09 -0.06 -0.23 0.00 0.08 0.00 0.00 59.36 59.24 1ktm h GLU 985 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ktm h GLU 985 CO 0.01 0.60 -0.94 0.52 -2.18 0.00 0.00 179.01 177.02 1ktm h MET 986 N 0.90 0.44 0.00 1.92 2.86 0.26 -2.88 114.93 118.44 1ktm h MET 986 Ca 0.24 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1ktm h MET 986 Cb -0.08 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ktm h MET 986 CO -0.05 1.12 -0.04 0.00 1.06 0.00 0.00 176.91 179.01 1ktm h ALA 987 N 0.71 1.07 0.09 6.32 0.00 0.32 -0.73 119.26 127.04 1ktm h ALA 987 Ca -0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1ktm h ALA 987 Cb 1.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.38 1ktm h ALA 987 CO 0.17 0.04 -0.60 1.96 0.00 0.00 0.00 179.25 180.81 1ktm h GLN 988 N 0.00 0.24 -0.72 0.00 1.08 -1.11 -2.67 115.11 111.93 1ktm h GLN 988 Ca -0.00 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.76 1ktm h GLN 988 Cb 0.31 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1ktm h GLN 988 CO 0.00 1.17 0.26 -0.22 -0.95 0.00 0.00 178.83 179.09 1ktm h LYS 989 N -0.48 1.10 -0.27 1.46 3.11 -1.24 -1.67 116.57 118.58 1ktm h LYS 989 Ca -0.10 -0.21 -0.00 0.00 -2.81 0.00 0.00 60.65 57.52 1ktm h LYS 989 Cb 1.45 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 1ktm h LYS 989 CO 0.11 0.91 0.16 1.25 -2.81 0.00 0.00 179.45 179.08 1ktm h LEU 990 N 1.06 0.33 -0.04 5.20 6.46 -1.23 0.25 115.31 127.33 1ktm h LEU 990 Ca 0.24 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1ktm h LEU 990 Cb 0.25 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1ktm h LEU 990 CO -0.01 0.30 -0.21 0.25 -0.62 0.00 0.00 178.44 178.14 1ktm h LEU 991 N 0.33 -0.64 0.57 2.25 5.85 -1.09 0.35 115.31 122.94 1ktm h LEU 991 Ca 0.10 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ktm h LEU 991 Cb 0.04 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ktm h LEU 991 CO -0.02 -0.27 -0.42 -1.13 -0.34 0.00 0.00 178.44 176.26 1ktm h ASN 992 N -0.31 -1.09 -0.74 1.25 -0.73 -1.04 1.01 115.58 113.93 1ktm h ASN 992 Ca 0.07 0.07 0.09 0.00 1.87 0.00 0.00 56.30 58.41 1ktm h ASN 992 Cb 0.42 0.33 -0.11 0.00 0.27 0.00 0.00 38.32 39.23 1ktm h ASN 992 CO -0.23 -0.60 -0.50 -1.28 -0.37 0.00 0.00 177.43 174.45 1ktm h SER 993 N -0.95 -1.77 0.03 1.15 0.87 -0.28 1.72 113.55 114.33 1ktm h SER 993 Ca -0.08 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1ktm h SER 993 Cb 0.78 0.80 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1ktm h SER 993 CO 0.03 -0.31 -0.04 0.44 -0.53 0.00 0.00 176.83 176.43 1ktm h ASP 994 N -0.16 0.01 0.51 6.23 3.32 -0.11 -1.96 116.42 124.27 1ktm h ASP 994 Ca 0.18 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ktm h ASP 994 Cb 0.53 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ktm h ASP 994 CO -0.79 0.06 -0.24 0.25 -1.72 0.00 0.00 179.24 176.79 1ktm h LEU 995 N 0.02 -0.58 -0.79 1.55 5.85 1.03 -2.56 115.31 119.82 1ktm h LEU 995 Ca 0.00 -0.05 0.18 0.00 0.84 0.00 0.00 57.88 58.85 1ktm h LEU 995 Cb 0.08 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 41.12 1ktm h LEU 995 CO 0.01 -0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.92 1ktm h ALA 996 N -0.88 0.83 -0.83 1.25 0.00 0.18 1.29 119.26 121.10 1ktm h ALA 996 Ca -0.07 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1ktm h ALA 996 Cb 0.60 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1ktm h ALA 996 CO 0.11 -0.44 0.54 1.49 0.00 0.00 0.00 179.25 180.96 1ktm h GLU 997 N 0.09 0.62 -0.09 0.00 4.57 -1.33 0.01 114.58 118.46 1ktm h GLU 997 Ca 0.44 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1ktm h GLU 997 Cb 0.78 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ktm h GLU 997 CO -0.70 0.41 -0.20 1.25 -1.18 0.00 0.00 179.01 178.59 1ktm h LEU 998 N 0.64 0.33 -0.51 1.64 6.46 0.19 -2.32 115.31 121.74 1ktm h LEU 998 Ca 0.40 -0.57 0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1ktm h LEU 998 Cb 0.66 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.41 1ktm h LEU 998 CO -0.17 0.84 -0.02 0.40 -0.62 0.00 0.00 178.44 178.87 1ktm h ILE 999 N -0.17 0.57 0.28 4.05 1.08 0.75 -1.16 117.51 122.92 1ktm h ILE 999 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1ktm h ILE 999 Cb 0.79 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1ktm h ILE 999 CO 0.04 0.02 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.12 1ktm h ASN 1000N 0.09 -0.72 -1.26 1.72 -1.24 -1.05 0.33 115.58 113.45 1ktm h ASN 1000Ca 0.26 0.06 0.42 0.00 0.71 0.00 0.00 56.30 57.75 1ktm h ASN 1000Cb 0.40 0.25 -0.13 0.00 0.73 0.00 0.00 38.32 39.56 1ktm h ASN 1000CO -0.45 -0.39 0.80 0.11 -1.29 0.00 0.00 177.43 176.21 1ktm h LYS 1001N -0.58 0.11 0.10 6.67 1.79 -0.67 0.77 116.57 124.76 1ktm h LYS 1001Ca -0.01 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1ktm h LYS 1001Cb 0.53 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1ktm h LYS 1001CO -0.05 0.07 -0.63 1.98 -1.08 0.00 0.00 179.45 179.74 1ktm h MET 1002N 0.11 0.26 -0.49 3.15 4.05 -0.14 0.46 114.93 122.32 1ktm h MET 1002Ca 0.80 -0.41 0.14 0.00 -0.28 0.00 0.00 59.70 59.96 1ktm h MET 1002Cb 2.43 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 33.36 1ktm h MET 1002CO -0.45 1.17 0.41 0.87 0.23 0.00 0.00 176.91 179.15 1ktm h LYS 1003N -0.45 0.00 0.00 0.39 1.79 0.42 0.34 116.57 119.06 1ktm h LYS 1003Ca -0.11 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.15 1ktm h LYS 1003Cb 1.47 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 1ktm h LYS 1003CO 0.12 0.00 -1.18 -0.07 -1.08 0.00 0.00 179.45 177.24 1ktm h LEU 1004N 0.00 0.00 -1.90 2.94 3.38 -0.57 -3.35 115.31 115.81 1ktm h LEU 1004Ca 0.23 -0.50 0.21 0.00 0.09 0.00 0.00 57.88 57.91 1ktm h LEU 1004Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1ktm h LEU 1004CO -0.00 1.44 0.63 0.00 0.09 0.00 0.00 178.44 180.60 1ktm h ALA 1005N -0.50 2.56 -0.35 1.53 0.00 0.06 1.33 119.26 123.89 1ktm h ALA 1005Ca -0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1ktm h ALA 1005Cb 1.25 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1ktm h ALA 1005CO -0.19 -1.00 0.10 0.37 0.00 0.00 0.00 179.25 178.52 1ktm h GLN 1006N 0.00 0.51 0.00 0.00 -0.00 -0.50 -1.64 115.11 113.48 1ktm h GLN 1006Ca 0.34 -0.07 -0.21 0.00 -0.00 0.00 0.00 58.65 58.71 1ktm h GLN 1006Cb 1.60 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 28.95 1ktm h GLN 1006CO -0.00 0.46 -2.12 0.94 0.00 0.00 0.00 178.83 178.10 1ktm n GLN 1007N -4.36 0.85 -0.45 1.69 7.27 0.33 -4.28 117.38 118.44 1ktm n GLN 1007Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 57.00 56.99 1ktm n GLN 1007Cb 0.17 -1.47 0.14 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.49 1.08 -0.07 3.69 4.01 0.37 -3.77 117.16 119.98 1ktm n TYR 1008Ca -0.20 -0.61 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 1ktm n TYR 1008Cb 0.88 -0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.08 0.77 0.39 -0.72 3.14 -0.63 -3.42 118.33 117.94 1ktm n VAL 1009Ca 0.17 -0.24 0.10 0.00 -2.96 0.00 0.00 64.34 61.42 1ktm n VAL 1009Cb 0.80 -1.38 0.43 0.00 -1.06 0.00 0.00 33.84 32.63 1ktm n VAL 1009CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1ktm n MET 1010N -3.31 0.13 0.00 1.45 0.00 -1.25 -3.88 117.12 110.26 1ktm n MET 1010Ca -0.26 0.40 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1ktm n MET 1010Cb 0.72 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 32.17 1ktm n MET 1010CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ktm n THR 1011N -2.01 0.00 0.00 3.17 -1.04 -1.26 -5.03 114.28 108.12 1ktm n THR 1011Ca 0.02 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1ktm n THR 1011Cb 0.19 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1ktm n THR 1011CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ktm n SER 1012N -0.32 0.00 -2.31 8.00 2.88 -1.25 -4.98 113.62 115.63 1ktm n SER 1012Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1ktm n SER 1012Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1ktm n SER 1012CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ktm n LEU 1013N -0.41 5.88 0.02 2.46 -0.00 -1.26 -4.39 117.00 119.29 1ktm n LEU 1013Ca 0.00 -3.37 -0.02 0.00 -0.00 0.00 0.00 56.01 52.62 1ktm n LEU 1013Cb 0.00 -1.41 -0.01 0.00 -0.00 0.00 0.00 43.42 42.00 1ktm n LEU 1013CO 0.00 1.71 0.06 -0.61 -0.00 0.00 0.00 177.39 178.56 1ktm h GLN 1014N 3.55 -0.15 -0.49 1.47 -0.00 -1.80 -3.11 115.11 114.58 1ktm h GLN 1014Ca 0.34 0.01 0.14 0.00 -0.00 0.00 0.00 58.65 59.14 1ktm h GLN 1014Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 1ktm h GLN 1014CO 0.59 -0.10 0.71 -0.56 0.00 0.00 0.00 178.83 179.47 1ktm h GLN 1015N -1.02 0.00 0.44 1.69 3.07 -1.90 0.85 115.11 118.23 1ktm h GLN 1015Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1ktm h GLN 1015Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1ktm h GLN 1015CO 0.03 0.00 -0.21 1.49 0.09 0.00 0.00 178.83 180.22 1ktm h GLU 1016N 0.00 -0.57 0.00 0.06 4.81 -1.88 -2.51 114.58 114.48 1ktm h GLU 1016Ca 0.23 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ktm h GLU 1016Cb 1.66 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1ktm h GLU 1016CO -0.00 -0.38 0.00 0.66 -0.73 0.00 0.00 179.01 178.56 1ktm n TYR 1017N -4.89 0.71 -0.00 0.92 4.02 0.01 -1.69 117.16 116.24 1ktm n TYR 1017Ca -0.07 0.34 -0.17 0.00 -0.01 0.00 0.00 57.90 57.99 1ktm n TYR 1017Cb 0.23 -1.04 -0.11 0.00 -0.02 0.00 0.00 39.34 38.40 1ktm n TYR 1017CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ktm h LYS 1018N 0.00 0.34 0.00 -0.72 1.63 -0.87 -2.88 116.57 114.07 1ktm h LYS 1018Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1ktm h LYS 1018Cb 0.12 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ktm h LYS 1018CO 0.00 1.06 0.00 1.63 -3.45 0.00 0.00 179.45 178.69 1ktm n LYS 1019N -4.30 0.19 0.05 1.90 4.01 -0.68 -2.71 118.16 116.62 1ktm n LYS 1019Ca -0.10 0.32 -0.02 0.00 -0.51 0.00 0.00 58.31 57.99 1ktm n LYS 1019Cb 0.63 -1.80 -0.01 0.00 -0.51 0.00 0.00 35.03 33.34 1ktm n LYS 1019CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1ktm h GLN 1020N 0.00 -0.15 -0.83 1.97 1.08 -1.31 -2.83 115.11 113.03 1ktm h GLN 1020Ca 0.00 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.41 1ktm h GLN 1020Cb 0.48 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1ktm h GLN 1020CO 0.00 -0.10 0.57 0.00 -0.95 0.00 0.00 178.83 178.34 1ktm h MET 1021N -0.38 0.29 0.52 1.46 -0.00 -1.57 -1.09 114.93 114.15 1ktm h MET 1021Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 1ktm h MET 1021Cb 0.12 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 1ktm h MET 1021CO 0.03 0.19 -0.32 1.25 -0.00 0.00 0.00 176.91 178.05 1ktm h LEU 1022N 0.29 -0.82 -0.86 -0.10 7.12 -1.59 0.52 115.31 119.88 1ktm h LEU 1022Ca 0.42 0.05 0.20 0.00 0.13 0.00 0.00 57.88 58.68 1ktm h LEU 1022Cb 1.19 0.24 -0.16 0.00 -0.53 0.00 0.00 40.66 41.40 1ktm h LEU 1022CO -0.12 -0.51 -0.09 0.74 -0.13 0.00 0.00 178.44 178.33 1ktm h THR 1023N -0.80 0.17 -0.29 1.05 2.02 -0.93 0.61 112.91 114.74 1ktm h THR 1023Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ktm h THR 1023Cb 0.66 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1ktm h THR 1023CO 0.06 0.01 0.14 0.00 0.37 0.00 0.00 175.52 176.10 1ktm h ALA 1024N 1.84 0.37 -0.55 6.16 0.00 -1.30 -1.09 119.26 124.70 1ktm h ALA 1024Ca 0.46 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.44 1ktm h ALA 1024Cb 0.80 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ktm h ALA 1024CO -0.83 -0.07 0.49 0.00 0.00 0.00 0.00 179.25 178.84 1ktm h ALA 1025N 1.00 2.36 0.44 0.00 0.00 0.24 1.93 119.26 125.24 1ktm h ALA 1025Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ktm h ALA 1025Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ktm h ALA 1025CO -0.01 -0.78 -0.21 1.25 0.00 0.00 0.00 179.25 179.50 1ktm h HIS 1026N 0.00 -0.55 -0.17 0.00 2.76 0.38 0.24 115.15 117.81 1ktm h HIS 1026Ca 0.26 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.27 1ktm h HIS 1026Cb 1.25 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 1ktm h HIS 1026CO 0.00 -0.23 -0.50 0.00 -1.30 0.00 0.00 177.93 175.90 1ktm h ALA 1027N -0.67 0.81 0.62 5.26 0.00 -0.85 -2.92 119.26 121.51 1ktm h ALA 1027Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1ktm h ALA 1027Cb 0.57 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ktm h ALA 1027CO 0.10 0.67 -0.30 -0.07 0.00 0.00 0.00 179.25 179.66 1ktm h LEU 1028N 0.36 -0.70 -1.00 0.00 -0.00 0.30 1.29 115.31 115.56 1ktm h LEU 1028Ca 0.02 0.02 0.38 0.00 -0.00 0.00 0.00 57.88 58.30 1ktm h LEU 1028Cb 1.01 0.18 -0.17 0.00 -0.00 0.00 0.00 40.66 41.69 1ktm h LEU 1028CO 0.09 -0.49 0.51 0.00 -0.00 0.00 0.00 178.44 178.55 1ktm h ALA 1029N -1.58 2.02 -0.00 1.53 0.00 -0.56 0.82 119.26 121.49 1ktm h ALA 1029Ca -0.08 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ktm h ALA 1029Cb 0.64 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ktm h ALA 1029CO 0.14 -0.81 -0.01 0.28 0.00 0.00 0.00 179.25 178.85 1ktm h VAL 1030N 0.10 1.53 -0.98 0.00 2.07 -1.26 -2.90 116.25 114.80 1ktm h VAL 1030Ca 0.79 -1.56 0.15 0.00 0.82 0.00 0.00 66.70 66.90 1ktm h VAL 1030Cb 1.98 2.58 -0.16 0.00 -1.52 0.00 0.00 31.29 34.18 1ktm h VAL 1030CO -0.73 0.41 -0.40 -0.78 0.02 0.00 0.00 177.57 176.09 1ktm h ASP 1031N -0.65 -1.46 -0.72 0.57 1.82 0.85 1.56 116.42 118.39 1ktm h ASP 1031Ca -0.00 0.31 0.06 0.00 -0.39 0.00 0.00 57.03 57.01 1ktm h ASP 1031Cb 0.67 0.76 -0.06 0.00 0.68 0.00 0.00 39.33 41.38 1ktm h ASP 1031CO 0.00 -0.29 0.42 0.00 -1.61 0.00 0.00 179.24 177.76 1ktm h ALA 1032N 1.33 0.98 -0.98 -0.78 0.00 -1.14 -0.12 119.26 118.55 1ktm h ALA 1032Ca 0.34 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1ktm h ALA 1032Cb 0.59 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1ktm h ALA 1032CO -0.98 0.11 0.62 -0.22 0.00 0.00 0.00 179.25 178.78 1ktm h LYS 1033N 0.76 1.01 -0.53 0.00 1.63 0.22 -0.37 116.57 119.30 1ktm h LYS 1033Ca 0.32 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 60.11 1ktm h LYS 1033Cb 0.19 -0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 1ktm h LYS 1033CO -0.18 0.67 0.27 -0.97 -3.45 0.00 0.00 179.45 175.79 1ktm h ASN 1034N 1.04 0.38 -0.54 4.20 -0.73 0.15 1.10 115.58 121.18 1ktm h ASN 1034Ca 0.46 0.03 0.09 0.00 1.87 0.00 0.00 56.30 58.76 1ktm h ASN 1034Cb 0.34 -0.04 -0.11 0.00 0.27 0.00 0.00 38.32 38.79 1ktm h ASN 1034CO -0.23 0.26 -0.35 0.25 -0.37 0.00 0.00 177.43 176.99 1ktm h LEU 1035N 0.52 -1.21 -0.26 0.34 6.46 -0.59 0.11 115.31 120.68 1ktm h LEU 1035Ca 0.24 0.22 -0.14 0.00 -0.12 0.00 0.00 57.88 58.08 1ktm h LEU 1035Cb 0.15 0.58 -0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1ktm h LEU 1035CO -0.17 -0.32 -0.40 0.25 -0.62 0.00 0.00 178.44 177.18 1ktm h LEU 1036N -0.20 0.80 -0.90 2.25 5.85 -1.22 -3.01 115.31 118.88 1ktm h LEU 1036Ca 0.21 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.50 1ktm h LEU 1036Cb 0.55 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 1ktm h LEU 1036CO -0.65 1.16 -0.57 -0.78 -0.34 0.00 0.00 178.44 177.26 1ktm h ASP 1037N 0.46 -2.06 -0.97 1.25 1.82 0.32 1.70 116.42 118.94 1ktm h ASP 1037Ca 0.02 0.31 0.10 0.00 -0.39 0.00 0.00 57.03 57.08 1ktm h ASP 1037Cb 0.99 0.91 -0.08 0.00 0.68 0.00 0.00 39.33 41.84 1ktm h ASP 1037CO 0.09 -0.26 0.60 1.62 -1.61 0.00 0.00 179.24 179.68 1ktm h VAL 1038N -0.07 0.95 -0.45 2.25 3.04 -0.90 -0.20 116.25 120.87 1ktm h VAL 1038Ca 0.16 -0.34 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1ktm h VAL 1038Cb 0.45 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.58 1ktm h VAL 1038CO -0.88 0.18 0.25 0.40 -1.01 0.00 0.00 177.57 176.51 1ktm h ILE 1039N 1.00 1.16 -1.00 3.17 2.04 0.15 -1.73 117.51 122.29 1ktm h ILE 1039Ca 0.46 -0.40 0.18 0.00 1.00 0.00 0.00 64.86 66.11 1ktm h ILE 1039Cb 0.39 0.60 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 1ktm h ILE 1039CO -0.24 0.17 0.60 0.44 0.00 0.00 0.00 178.15 179.12 1ktm h ASP 1040N 0.60 0.78 0.87 1.72 3.32 0.38 1.28 116.42 125.36 1ktm h ASP 1040Ca 0.16 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1ktm h ASP 1040Cb 0.04 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ktm h ASP 1040CO -0.03 0.29 -0.14 1.56 -1.72 0.00 0.00 179.24 179.20 1ktm h GLN 1041N 0.77 0.00 0.17 3.56 4.20 -0.70 -2.81 115.11 120.30 1ktm h GLN 1041Ca 0.57 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.96 1ktm h GLN 1041Cb 0.86 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.65 1ktm h GLN 1041CO -0.38 0.14 -1.59 0.00 -0.67 0.00 0.00 178.83 176.33 1ktm h ALA 1042N 1.86 0.11 -0.70 3.87 0.00 0.19 -3.06 119.26 121.52 1ktm h ALA 1042Ca -0.00 -1.07 0.12 0.00 0.00 0.00 0.00 54.91 53.96 1ktm h ALA 1042Cb 0.61 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1ktm h ALA 1042CO 0.02 0.90 0.28 -0.09 0.00 0.00 0.00 179.25 180.35 1ktm h ARG 1043N -0.02 0.43 -0.19 0.00 2.43 0.80 -0.98 114.38 116.84 1ktm h ARG 1043Ca -0.32 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1ktm h ARG 1043Cb 2.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 1ktm h ARG 1043CO 0.16 0.28 0.01 1.37 -1.51 0.00 0.00 179.97 180.27 1ktm h LEU 1044N 0.44 0.33 -1.81 3.80 8.10 -1.63 -2.10 115.31 122.44 1ktm h LEU 1044Ca 0.37 -0.30 0.50 0.00 0.11 0.00 0.00 57.88 58.56 1ktm h LEU 1044Cb 0.52 -0.09 -0.07 0.00 -0.44 0.00 0.00 40.66 40.59 1ktm h LEU 1044CO -0.36 0.55 1.33 0.11 -4.11 0.00 0.00 178.44 175.96 1ktm h LYS 1045N 0.10 0.00 0.00 0.17 1.57 -1.07 0.69 116.57 118.02 1ktm h LYS 1045Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1ktm h LYS 1045Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1ktm h LYS 1045CO 0.01 0.00 -0.65 1.98 -0.57 0.00 0.00 179.45 180.22 1ktm h MET 1046N 0.00 0.00 -0.89 3.15 4.05 -1.13 -3.01 114.93 117.10 1ktm h MET 1046Ca 0.82 0.00 0.21 0.00 -0.28 0.00 0.00 59.70 60.45 1ktm h MET 1046Cb 3.47 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 34.15 1ktm h MET 1046CO -0.01 0.42 0.39 0.82 0.23 0.00 0.00 176.91 178.76 1ktm h ILE 1047N -1.00 0.50 0.12 1.77 2.04 0.17 0.47 117.51 121.58 1ktm h ILE 1047Ca -0.12 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ktm h ILE 1047Cb 0.75 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ktm h ILE 1047CO -0.07 0.08 -0.06 -1.28 0.00 0.00 0.00 178.15 176.82 1ktm h SER 1048N 0.42 -0.13 -2.63 1.72 0.87 0.01 -3.30 113.55 110.51 1ktm h SER 1048Ca 0.55 -0.20 -0.73 0.00 -1.23 0.00 0.00 61.79 60.18 1ktm h SER 1048Cb 1.01 0.03 -0.20 0.00 -0.44 0.00 0.00 62.40 62.81 1ktm h SER 1048CO -0.51 0.12 0.89 -1.10 -0.53 0.00 0.00 176.83 175.70 1ktm s GLN 1049N -5.21 3.85 0.00 2.24 -0.21 0.15 -4.40 119.66 116.07 1ktm s GLN 1049Ca -0.15 -2.32 0.00 0.00 0.02 0.00 0.00 55.36 52.92 1ktm s GLN 1049Cb 0.04 -4.87 0.00 0.00 1.00 0.00 0.00 33.01 29.18 1ktm s GLN 1049CO 0.64 -1.65 0.00 0.45 -2.12 0.00 0.00 175.29 172.61 1ktm n SER 1050N 5.46 0.00 -4.71 5.90 2.88 -1.19 -4.71 113.62 117.23 1ktm n SER 1050Ca 0.27 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.46 1ktm n SER 1050Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1ktm n SER 1050CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ktm s ARG 1051N 0.00 3.83 -1.06 -1.46 0.52 -1.24 -5.02 118.95 114.52 1ktm s ARG 1051Ca 0.00 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.71 1ktm s ARG 1051Cb 0.00 -3.22 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 1ktm s ARG 1051CO 0.00 0.43 1.74 -1.25 0.02 0.00 0.00 175.30 176.24 1ktm s PRO 1052N -0.04 3.14 0.00 3.54 0.04 -1.26 -4.77 135.00 135.65 1ktm s PRO 1052Ca 0.08 -1.01 0.25 0.00 0.04 0.00 0.00 61.00 60.35 1ktm s PRO 1052Cb -0.12 -5.28 0.32 0.00 0.04 0.00 0.00 34.50 29.46 1ktm s PRO 1052CO 0.01 -2.89 1.33 1.58 0.04 0.00 0.00 177.00 177.06