#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 0.23 -1.71 3.04 0.00 -1.26 -4.96 120.51 115.84 1ktm n ALA 916 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1ktm n ALA 916 Cb 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1ktm n ALA 916 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ktm s ASN 917 N -1.71 4.25 -0.19 0.00 2.47 -1.26 -4.86 114.94 113.64 1ktm s ASN 917 Ca 0.10 -0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.23 1ktm s ASN 917 Cb -0.01 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.28 1ktm s ASN 917 CO 0.07 -3.56 -0.09 -0.76 -3.72 0.00 0.00 177.10 169.04 1ktm s LEU 918 N 13.44 2.18 0.00 3.21 1.43 -1.26 -5.12 118.68 132.56 1ktm s LEU 918 Ca 0.86 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ktm s LEU 918 Cb -0.11 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1ktm s LEU 918 CO 0.05 -0.16 0.00 0.47 0.23 0.00 0.00 176.35 176.95 1ktm n ASP 919 N 4.72 -0.44 -0.79 2.29 9.92 -1.26 -4.80 116.55 126.19 1ktm n ASP 919 Ca -0.14 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.15 1ktm n ASP 919 Cb 0.47 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.09 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 -0.44 2.09 0.00 -1.24 3.00 -1.26 -3.95 116.66 114.86 1ktm n ARG 920 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 57.85 56.73 1ktm n ARG 920 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 30.94 1ktm n ARG 920 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ktm n SER 921 N 0.28 0.00 0.25 0.55 7.64 -1.26 -2.36 113.62 118.72 1ktm n SER 921 Ca 0.10 0.26 0.15 0.00 1.01 0.00 0.00 58.87 60.39 1ktm n SER 921 Cb 0.44 -0.31 0.80 0.00 -1.01 0.00 0.00 64.21 64.13 1ktm n SER 921 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ktm h ASN 922 N 0.00 0.00 0.15 6.43 -0.73 -1.92 -2.19 115.58 117.33 1ktm h ASN 922 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1ktm h ASN 922 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1ktm h ASN 922 CO 0.00 0.00 -0.07 0.44 -0.37 0.00 0.00 177.43 177.43 1ktm h ASP 923 N 0.00 -0.18 -1.73 1.15 3.32 -1.70 -0.47 116.42 116.81 1ktm h ASP 923 Ca 0.00 0.01 0.52 0.00 0.02 0.00 0.00 57.03 57.57 1ktm h ASP 923 Cb 0.17 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 1ktm h ASP 923 CO 0.00 0.15 1.22 0.50 -1.72 0.00 0.00 179.24 179.39 1ktm h LYS 924 N -0.76 0.01 0.08 3.56 3.11 -1.01 1.61 116.57 123.18 1ktm h LYS 924 Ca -0.02 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1ktm h LYS 924 Cb 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1ktm h LYS 924 CO 0.03 0.01 -0.04 0.28 -2.81 0.00 0.00 179.45 176.92 1ktm h VAL 925 N 0.01 0.00 -0.49 2.00 2.07 -1.51 -2.54 116.25 115.79 1ktm h VAL 925 Ca 0.87 -0.80 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1ktm h VAL 925 Cb 3.33 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1ktm h VAL 925 CO -0.11 0.00 0.40 1.88 0.02 0.00 0.00 177.57 179.75 1ktm h TYR 926 N -0.91 0.00 0.25 1.57 -1.99 0.13 -2.16 116.97 113.86 1ktm h TYR 926 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1ktm h TYR 926 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1ktm h TYR 926 CO 0.00 0.00 -0.12 0.93 -0.00 0.00 0.00 178.16 178.97 1ktm h GLU 927 N 0.00 -0.32 -1.31 4.88 4.39 0.20 -2.73 114.58 119.68 1ktm h GLU 927 Ca 0.23 0.02 0.45 0.00 0.34 0.00 0.00 59.36 60.41 1ktm h GLU 927 Cb 1.03 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.61 1ktm h GLU 927 CO -0.00 -0.22 0.83 -0.97 -1.16 0.00 0.00 179.01 177.49 1ktm h ASN 928 N -0.60 0.23 0.46 1.42 -0.73 -1.02 0.45 115.58 115.79 1ktm h ASN 928 Ca -0.03 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1ktm h ASN 928 Cb 0.26 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1ktm h ASN 928 CO 0.06 -0.25 -0.22 0.58 -0.37 0.00 0.00 177.43 177.23 1ktm h VAL 929 N 0.04 0.00 0.45 2.57 2.07 -1.38 -1.77 116.25 118.23 1ktm h VAL 929 Ca 0.85 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.36 1ktm h VAL 929 Cb 2.66 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1ktm h VAL 929 CO -0.48 0.00 -0.34 0.71 0.02 0.00 0.00 177.57 177.48 1ktm h THR 930 N -0.62 0.00 -0.65 2.57 1.35 -0.12 0.11 112.91 115.55 1ktm h THR 930 Ca -0.06 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.90 1ktm h THR 930 Cb 0.47 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.79 1ktm h THR 930 CO 0.10 0.00 -0.26 0.61 -0.25 0.00 0.00 175.52 175.73 1ktm n GLY 931 N -1.40 -1.35 0.08 5.82 0.00 0.12 0.36 105.19 108.81 1ktm n GLY 931 Ca -0.09 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.54 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 0.12 -1.63 0.99 8.10 -1.09 -2.36 115.31 119.44 1ktm h LEU 932 Ca 0.23 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1ktm h LEU 932 Cb 0.39 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.56 1ktm h LEU 932 CO -0.65 0.30 0.24 0.58 -4.11 0.00 0.00 178.44 174.81 1ktm h VAL 933 N -0.07 1.10 -0.95 0.15 2.07 0.49 0.18 116.25 119.22 1ktm h VAL 933 Ca 0.03 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1ktm h VAL 933 Cb 0.23 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1ktm h VAL 933 CO -0.00 0.10 0.62 0.11 0.02 0.00 0.00 177.57 178.42 1ktm h LYS 934 N 0.50 1.11 0.16 1.57 1.79 0.69 -2.00 116.57 120.40 1ktm h LYS 934 Ca 0.13 -0.07 -0.29 0.00 -2.18 0.00 0.00 60.65 58.25 1ktm h LYS 934 Cb -0.05 -0.25 0.03 0.00 -1.58 0.00 0.00 32.23 30.38 1ktm h LYS 934 CO -0.03 0.74 -1.23 0.00 -1.08 0.00 0.00 179.45 177.85 1ktm h ALA 935 N 1.47 -0.07 -0.96 3.86 0.00 -0.73 -1.97 119.26 120.85 1ktm h ALA 935 Ca 0.40 -0.78 0.29 0.00 0.00 0.00 0.00 54.91 54.82 1ktm h ALA 935 Cb 0.10 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 1ktm h ALA 935 CO -0.14 0.62 0.13 0.28 0.00 0.00 0.00 179.25 180.14 1ktm n VAL 936 N -3.84 -0.40 -0.03 0.00 0.31 0.48 0.18 118.33 115.03 1ktm n VAL 936 Ca -0.15 2.08 -0.01 0.00 -0.01 0.00 0.00 64.34 66.25 1ktm n VAL 936 Cb 0.99 -3.10 -0.00 0.00 -0.91 0.00 0.00 33.84 30.81 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 -0.75 2.52 5.03 -1.54 -3.36 117.51 119.41 1ktm h ILE 937 Ca 0.63 -0.47 0.29 0.00 -0.12 0.00 0.00 64.86 65.19 1ktm h ILE 937 Cb 1.41 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 35.06 1ktm h ILE 937 CO -0.87 0.00 0.31 1.21 -0.68 0.00 0.00 178.15 178.13 1ktm n GLU 938 N -3.34 -0.05 -0.01 2.37 4.07 -0.74 -0.30 120.64 122.64 1ktm n GLU 938 Ca -0.02 1.05 -0.01 0.00 -0.06 0.00 0.00 57.16 58.12 1ktm n GLU 938 Cb 0.06 -1.83 -0.01 0.00 -0.06 0.00 0.00 31.44 29.60 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 -0.04 -1.50 5.31 4.05 0.17 0.28 114.93 123.20 1ktm h MET 939 Ca 0.59 0.00 0.44 0.00 -0.28 0.00 0.00 59.70 60.46 1ktm h MET 939 Cb 1.51 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.24 1ktm h MET 939 CO -0.60 -0.03 1.06 1.03 0.23 0.00 0.00 176.91 178.60 1ktm h SER 940 N -0.04 0.06 -0.46 1.39 0.87 -0.81 1.84 113.55 116.40 1ktm h SER 940 Ca 0.01 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1ktm h SER 940 Cb 0.06 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1ktm h SER 940 CO -0.05 -0.02 0.09 -1.28 -0.53 0.00 0.00 176.83 175.04 1ktm h SER 941 N 0.04 0.72 -0.36 6.23 0.87 -0.28 -2.93 113.55 117.84 1ktm h SER 941 Ca 0.75 -0.25 -0.16 0.00 -1.23 0.00 0.00 61.79 60.89 1ktm h SER 941 Cb 2.84 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 64.52 1ktm h SER 941 CO -0.08 0.79 -0.02 2.29 -0.53 0.00 0.00 176.83 179.27 1ktm n LYS 942 N -4.47 2.07 -0.12 2.24 2.85 0.50 -4.55 118.16 116.69 1ktm n LYS 942 Ca 0.01 -3.10 -0.25 0.00 -1.05 0.00 0.00 58.31 53.92 1ktm n LYS 942 Cb 0.24 -1.84 -0.10 0.00 -0.65 0.00 0.00 35.03 32.67 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 -1.01 1.53 -0.20 0.58 0.00 0.51 -2.51 119.36 118.26 1ktm n ILE 943 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 62.75 62.87 1ktm n ILE 943 Cb 1.04 -1.99 0.04 0.00 0.00 0.00 0.00 39.64 38.73 1ktm n ILE 943 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ktm h GLN 944 N -1.00 -0.08 -0.01 9.51 4.20 -1.80 -2.36 115.11 123.58 1ktm h GLN 944 Ca -0.49 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1ktm h GLN 944 Cb 1.42 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1ktm h GLN 944 CO -0.30 -0.05 -0.11 -1.00 -0.67 0.00 0.00 178.83 176.70 1ktm h PRO 945 N -0.08 0.08 -4.74 1.46 0.13 -1.85 -3.46 132.00 123.55 1ktm h PRO 945 Ca 0.27 -0.08 -0.65 0.00 -0.87 0.00 0.00 66.00 64.67 1ktm h PRO 945 Cb 0.51 0.02 0.03 0.00 0.13 0.00 0.00 31.00 31.69 1ktm h PRO 945 CO -0.66 0.81 0.21 0.00 -0.23 0.00 0.00 178.00 178.13 1ktm n ALA 946 N -2.50 -2.38 -1.51 -0.56 0.00 -0.89 -4.90 120.51 107.77 1ktm n ALA 946 Ca -0.09 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 1ktm n ALA 946 Cb 0.42 -1.43 0.21 0.00 0.00 0.00 0.00 19.45 18.65 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 0.76 -0.22 0.32 0.00 0.04 -1.26 -4.80 135.00 129.84 1ktm s PRO 947 Ca 0.75 -0.22 0.26 0.00 0.04 0.00 0.00 61.00 61.84 1ktm s PRO 947 Cb -1.06 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 32.64 1ktm s PRO 947 CO 0.51 -3.02 1.77 -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 -1.94 0.17 132.00 128.84 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 0.37 0.00 -0.73 0.93 -0.23 0.00 0.00 178.00 178.34 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 5.08 -2.00 -3.14 114.58 115.37 1ktm h GLU 949 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ktm h GLU 949 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ktm h GLU 949 CO 0.00 0.00 -0.18 -1.91 -1.00 0.00 0.00 179.01 175.92 1ktm n GLU 950 N -2.41 1.69 -0.06 2.33 4.07 -1.02 -4.52 120.64 120.72 1ktm n GLU 950 Ca 0.02 -0.77 -0.22 0.00 -0.06 0.00 0.00 57.16 56.14 1ktm n GLU 950 Cb 0.49 -1.14 -0.13 0.00 -0.06 0.00 0.00 31.44 30.60 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 -0.03 0.76 -0.21 4.31 9.36 0.02 -2.66 117.16 128.72 1ktm n TYR 951 Ca 0.05 0.20 0.01 0.00 3.32 0.00 0.00 57.90 61.48 1ktm n TYR 951 Cb 0.25 -1.09 0.12 0.00 -0.63 0.00 0.00 39.34 37.98 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 -0.25 0.64 -0.01 2.97 2.07 -1.78 -2.18 116.25 117.70 1ktm h VAL 952 Ca -0.48 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1ktm h VAL 952 Cb 1.83 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1ktm h VAL 952 CO -0.07 0.05 -0.19 1.55 0.02 0.00 0.00 177.57 178.94 1ktm h PRO 953 N 0.28 0.15 -0.85 1.57 0.13 -1.79 -3.08 132.00 128.40 1ktm h PRO 953 Ca 0.33 -0.14 0.29 0.00 -0.87 0.00 0.00 66.00 65.61 1ktm h PRO 953 Cb 0.49 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 31.50 1ktm h PRO 953 CO -0.40 0.86 0.23 -0.12 -0.23 0.00 0.00 178.00 178.33 1ktm n MET 954 N -4.57 -0.06 0.12 0.86 0.00 -0.92 0.50 117.12 113.05 1ktm n MET 954 Ca -0.09 1.23 -0.10 0.00 -0.00 0.00 0.00 57.70 58.73 1ktm n MET 954 Cb 0.46 -2.07 -0.06 0.00 0.00 0.00 0.00 33.22 31.54 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ktm h VAL 955 N 0.00 0.50 -0.99 1.12 2.07 -1.47 -2.89 116.25 114.60 1ktm h VAL 955 Ca 0.62 -0.84 0.35 0.00 0.82 0.00 0.00 66.70 67.64 1ktm h VAL 955 Cb 1.47 0.82 -0.18 0.00 -1.52 0.00 0.00 31.29 31.88 1ktm h VAL 955 CO -0.73 0.12 0.28 0.29 0.02 0.00 0.00 177.57 177.55 1ktm n LYS 956 N -5.04 -0.07 0.43 1.57 4.01 0.18 0.51 118.16 119.75 1ktm n LYS 956 Ca -0.08 1.42 -0.19 0.00 -0.51 0.00 0.00 58.31 58.95 1ktm n LYS 956 Cb 0.25 -2.40 -0.09 0.00 -0.51 0.00 0.00 35.03 32.27 1ktm n LYS 956 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1ktm h GLU 957 N 0.00 -1.06 -0.31 1.97 3.07 -0.70 -2.19 114.58 115.35 1ktm h GLU 957 Ca 0.72 0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.72 1ktm h GLU 957 Cb 1.74 0.24 -0.08 0.00 -0.84 0.00 0.00 28.75 29.81 1ktm h GLU 957 CO -0.84 -0.71 -0.42 0.28 -1.40 0.00 0.00 179.01 175.92 1ktm h VAL 958 N -1.10 0.13 -1.09 3.13 2.07 0.28 0.30 116.25 119.97 1ktm h VAL 958 Ca -0.11 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.76 1ktm h VAL 958 Cb 0.85 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1ktm h VAL 958 CO 0.17 0.00 0.65 1.23 0.02 0.00 0.00 177.57 179.64 1ktm h GLY 959 N -0.38 1.78 1.23 2.17 0.00 -0.80 1.71 103.07 108.79 1ktm h GLY 959 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1ktm h GLY 959 CO -0.51 -0.45 0.11 -2.00 0.00 0.00 0.00 176.54 173.68 1ktm h LEU 960 N 0.24 0.90 -0.49 3.11 6.46 0.23 -0.71 115.31 125.05 1ktm h LEU 960 Ca 0.75 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 58.27 1ktm h LEU 960 Cb 1.94 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.61 1ktm h LEU 960 CO -0.53 0.90 0.10 0.00 -0.62 0.00 0.00 178.44 178.29 1ktm h ALA 961 N 1.21 0.65 -0.35 1.25 0.00 0.32 0.36 119.26 122.70 1ktm h ALA 961 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ktm h ALA 961 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ktm h ALA 961 CO 0.01 0.35 0.23 -0.07 0.00 0.00 0.00 179.25 179.77 1ktm h LEU 962 N 0.68 0.41 0.33 0.00 -0.00 -0.65 0.11 115.31 116.18 1ktm h LEU 962 Ca 0.15 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1ktm h LEU 962 Cb 0.35 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1ktm h LEU 962 CO 0.00 0.30 -0.17 -0.09 -0.00 0.00 0.00 178.44 178.48 1ktm h ARG 963 N 0.48 -0.44 -0.73 1.13 9.65 -0.87 -2.06 114.38 121.53 1ktm h ARG 963 Ca 0.13 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.16 1ktm h ARG 963 Cb -0.05 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 1ktm h ARG 963 CO -0.03 -0.30 0.48 1.15 2.80 0.00 0.00 179.97 184.08 1ktm h THR 964 N -0.46 0.87 -0.84 0.20 2.02 -0.70 0.72 112.91 114.72 1ktm h THR 964 Ca -0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1ktm h THR 964 Cb 0.36 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1ktm h THR 964 CO 0.06 0.10 0.54 0.25 0.37 0.00 0.00 175.52 176.84 1ktm h LEU 965 N 0.52 0.98 -0.69 2.58 6.46 -0.12 -1.60 115.31 123.44 1ktm h LEU 965 Ca 0.35 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.14 1ktm h LEU 965 Cb 0.63 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1ktm h LEU 965 CO -0.12 0.73 0.37 0.25 -0.62 0.00 0.00 178.44 179.05 1ktm h LEU 966 N 1.14 0.53 0.36 2.25 6.46 -0.24 -0.52 115.31 125.29 1ktm h LEU 966 Ca 0.30 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.09 1ktm h LEU 966 Cb -0.10 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1ktm h LEU 966 CO -0.06 0.33 -0.19 0.00 -0.62 0.00 0.00 178.44 177.89 1ktm h ALA 967 N 1.38 -1.10 -0.99 1.25 0.00 -1.08 -2.20 119.26 116.51 1ktm h ALA 967 Ca 0.32 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.45 1ktm h ALA 967 Cb 0.25 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 967 CO -0.21 -1.07 0.24 1.79 0.00 0.00 0.00 179.25 180.00 1ktm h THR 968 N -0.51 0.03 -0.43 0.00 1.35 -1.12 1.31 112.91 113.55 1ktm h THR 968 Ca -0.05 -0.01 0.08 0.00 -0.55 0.00 0.00 66.41 65.88 1ktm h THR 968 Cb 0.40 0.01 -0.07 0.00 -1.73 0.00 0.00 68.15 66.76 1ktm h THR 968 CO 0.07 0.00 0.03 0.58 -0.25 0.00 0.00 175.52 175.95 1ktm h VAL 969 N 0.02 0.71 -1.04 6.82 2.07 -0.76 0.24 116.25 124.30 1ktm h VAL 969 Ca 0.70 -0.05 0.27 0.00 0.82 0.00 0.00 66.70 68.44 1ktm h VAL 969 Cb 1.63 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 1ktm h VAL 969 CO -0.85 0.03 0.66 -0.78 0.02 0.00 0.00 177.57 176.65 1ktm h ASP 970 N 0.14 0.48 1.49 0.57 3.58 0.23 1.84 116.42 124.76 1ktm h ASP 970 Ca 0.21 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.67 1ktm h ASP 970 Cb 0.29 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1ktm h ASP 970 CO -0.32 0.08 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.36 1ktm h GLU 971 N 0.42 0.00 0.00 0.28 5.08 -0.37 -3.08 114.58 116.91 1ktm h GLU 971 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1ktm h GLU 971 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1ktm h GLU 971 CO -0.34 0.43 -0.54 1.03 -1.00 0.00 0.00 179.01 178.59 1ktm h SER 972 N 0.00 0.00 -0.05 1.42 0.87 0.45 -3.20 113.55 113.04 1ktm h SER 972 Ca -0.00 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1ktm h SER 972 Cb 1.28 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.20 1ktm h SER 972 CO 0.06 0.04 -0.24 0.25 -0.53 0.00 0.00 176.83 176.41 1ktm h LEU 973 N 0.00 -0.72 -0.34 2.23 6.46 0.18 -2.25 115.31 120.86 1ktm h LEU 973 Ca 0.00 0.11 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 1ktm h LEU 973 Cb 0.87 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1ktm h LEU 973 CO 0.00 -0.30 -0.82 1.55 -0.62 0.00 0.00 178.44 178.25 1ktm h PRO 974 N -0.35 0.28 -0.77 5.25 0.13 -1.72 -3.06 132.00 131.77 1ktm h PRO 974 Ca 0.08 -0.27 0.22 0.00 -0.87 0.00 0.00 66.00 65.16 1ktm h PRO 974 Cb 0.46 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 1ktm h PRO 974 CO -0.25 0.96 0.72 0.28 -0.23 0.00 0.00 178.00 179.48 1ktm h VAL 975 N 0.17 0.31 -2.69 1.56 2.07 -1.42 -3.39 116.25 112.87 1ktm h VAL 975 Ca -0.04 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.90 1ktm h VAL 975 Cb 1.42 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 1ktm h VAL 975 CO 0.13 0.00 -0.60 -0.76 0.02 0.00 0.00 177.57 176.37 1ktm s LEU 976 N -7.53 3.62 1.12 2.57 2.01 -0.91 -5.00 118.68 114.57 1ktm s LEU 976 Ca -0.04 -0.25 -0.19 0.00 0.01 0.00 0.00 54.13 53.66 1ktm s LEU 976 Cb 0.17 -2.23 0.27 0.00 0.01 0.00 0.00 46.19 44.41 1ktm s LEU 976 CO 0.61 0.06 1.24 -2.16 1.01 0.00 0.00 176.35 177.11 1ktm s PRO 977 N -3.14 -0.60 -0.49 1.29 0.04 -1.26 -4.92 135.00 125.92 1ktm s PRO 977 Ca 0.30 -0.37 -0.29 0.00 0.04 0.00 0.00 61.00 60.69 1ktm s PRO 977 Cb -0.09 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1ktm s PRO 977 CO 0.22 -3.25 1.29 0.00 0.04 0.00 0.00 177.00 175.30 1ktm s ALA 978 N -3.50 3.03 0.00 8.56 0.00 -1.26 -3.94 121.76 124.65 1ktm s ALA 978 Ca 0.74 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1ktm s ALA 978 Cb -0.05 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1ktm s ALA 978 CO 0.55 -2.49 0.00 0.45 0.00 0.00 0.00 175.76 174.26 1ktm n SER 979 N 8.59 0.00 -2.85 0.00 2.88 -1.26 -5.00 113.62 115.99 1ktm n SER 979 Ca 0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.34 1ktm n SER 979 Cb 0.49 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 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 3.37 0.00 2.46 5.66 -1.25 -4.85 114.28 119.66 1ktm n THR 980 Ca 0.00 -5.00 0.00 0.00 -3.05 0.00 0.00 64.05 56.00 1ktm n THR 980 Cb 0.00 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.46 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 -0.40 0.00 -0.26 1.09 8.25 -1.26 -3.60 115.22 119.04 1ktm n HIS 981 Ca 0.43 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.84 1ktm n HIS 981 Cb 0.43 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.12 -0.99 -0.41 2.43 -1.98 0.33 114.38 113.63 1ktm h ARG 982 Ca 0.00 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.42 1ktm h ARG 982 Cb 0.00 0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 29.39 1ktm h ARG 982 CO 0.00 -0.08 -0.11 0.93 -1.51 0.00 0.00 179.97 179.20 1ktm h GLU 983 N -0.13 0.00 -0.42 0.20 5.08 -1.89 1.66 114.58 119.09 1ktm h GLU 983 Ca 0.25 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1ktm h GLU 983 Cb 0.56 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ktm h GLU 983 CO -0.77 0.00 0.14 0.82 -1.00 0.00 0.00 179.01 178.20 1ktm h ILE 984 N 0.00 1.21 -0.72 3.13 2.04 -0.47 0.24 117.51 122.94 1ktm h ILE 984 Ca 0.54 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1ktm h ILE 984 Cb 0.99 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1ktm h ILE 984 CO -0.98 0.25 0.32 -0.08 0.00 0.00 0.00 178.15 177.66 1ktm h GLU 985 N 0.53 1.05 0.00 2.37 4.22 0.29 -1.35 114.58 121.69 1ktm h GLU 985 Ca 0.14 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1ktm h GLU 985 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ktm h GLU 985 CO -0.01 0.83 -0.21 0.52 -2.18 0.00 0.00 179.01 177.97 1ktm h MET 986 N 1.04 0.00 0.00 1.92 2.86 0.22 -2.28 114.93 118.69 1ktm h MET 986 Ca 0.25 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1ktm h MET 986 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ktm h MET 986 CO -0.03 0.21 -0.08 0.00 1.06 0.00 0.00 176.91 178.07 1ktm h ALA 987 N 1.79 0.95 -0.00 6.32 0.00 0.11 -2.83 119.26 125.59 1ktm h ALA 987 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ktm h ALA 987 Cb 0.73 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ktm h ALA 987 CO 0.03 0.10 -0.33 1.96 0.00 0.00 0.00 179.25 181.01 1ktm h GLN 988 N 0.00 0.22 -0.69 0.00 1.08 -0.76 -2.86 115.11 112.10 1ktm h GLN 988 Ca -0.00 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 1ktm h GLN 988 Cb 1.04 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.51 1ktm h GLN 988 CO 0.01 0.96 0.28 -0.22 -0.95 0.00 0.00 178.83 178.91 1ktm h LYS 989 N -0.42 1.02 -0.85 1.46 3.11 -1.56 -1.68 116.57 117.64 1ktm h LYS 989 Ca -0.04 -0.17 0.05 0.00 -2.81 0.00 0.00 60.65 57.68 1ktm h LYS 989 Cb 1.08 -0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.08 1ktm h LYS 989 CO 0.06 0.83 0.54 1.25 -2.81 0.00 0.00 179.45 179.32 1ktm h LEU 990 N 1.00 0.88 0.36 5.20 6.46 -1.54 1.40 115.31 129.06 1ktm h LEU 990 Ca 0.23 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1ktm h LEU 990 Cb 0.19 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1ktm h LEU 990 CO -0.02 0.59 -0.17 0.25 -0.62 0.00 0.00 178.44 178.46 1ktm h LEU 991 N 1.02 -0.41 -1.33 2.25 6.46 -1.12 -1.86 115.31 120.33 1ktm h LEU 991 Ca 0.35 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1ktm h LEU 991 Cb 0.08 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1ktm h LEU 991 CO -0.14 -0.19 0.24 -1.13 -0.62 0.00 0.00 178.44 176.60 1ktm h ASN 992 N -0.61 0.63 0.10 1.25 -0.73 -0.83 -1.65 115.58 113.73 1ktm h ASN 992 Ca -0.05 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 1ktm h ASN 992 Cb 0.44 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1ktm h ASN 992 CO 0.08 0.54 -0.16 -1.28 -0.37 0.00 0.00 177.43 176.23 1ktm h SER 993 N 0.70 -0.47 -0.87 1.15 0.87 0.23 0.13 113.55 115.28 1ktm h SER 993 Ca 0.18 0.04 0.19 0.00 -1.23 0.00 0.00 61.79 60.97 1ktm h SER 993 Cb 0.08 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1ktm h SER 993 CO -0.02 -0.19 0.58 0.44 -0.53 0.00 0.00 176.83 177.10 1ktm h ASP 994 N -0.28 0.42 0.40 6.23 5.19 -1.24 -1.50 116.42 125.65 1ktm h ASP 994 Ca -0.01 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1ktm h ASP 994 Cb 0.26 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1ktm h ASP 994 CO -0.06 0.18 -0.41 -0.07 -3.12 0.00 0.00 179.24 175.77 1ktm h LEU 995 N 0.43 -1.11 -0.92 1.55 -0.00 -0.27 0.37 115.31 115.36 1ktm h LEU 995 Ca 0.45 0.09 0.16 0.00 -0.00 0.00 0.00 57.88 58.57 1ktm h LEU 995 Cb 1.07 0.37 -0.16 0.00 -0.00 0.00 0.00 40.66 41.94 1ktm h LEU 995 CO -0.17 -0.53 -0.34 0.00 -0.00 0.00 0.00 178.44 177.39 1ktm h ALA 996 N -1.08 0.24 -0.54 1.53 0.00 0.27 2.20 119.26 121.88 1ktm h ALA 996 Ca -0.05 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ktm h ALA 996 Cb 0.70 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1ktm h ALA 996 CO -0.05 -0.57 0.36 1.49 0.00 0.00 0.00 179.25 180.47 1ktm h GLU 997 N -0.03 0.67 -0.11 0.00 4.57 -1.15 0.40 114.58 118.93 1ktm h GLU 997 Ca 0.36 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 1ktm h GLU 997 Cb 0.61 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1ktm h GLU 997 CO -0.94 0.44 -0.11 1.25 -1.18 0.00 0.00 179.01 178.47 1ktm h LEU 998 N 0.69 0.29 0.46 1.64 6.46 0.73 -1.89 115.31 123.68 1ktm h LEU 998 Ca 0.21 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1ktm h LEU 998 Cb -0.01 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1ktm h LEU 998 CO -0.05 0.72 -0.22 0.40 -0.62 0.00 0.00 178.44 178.67 1ktm h ILE 999 N -0.13 0.55 -0.48 4.05 1.08 0.20 0.23 117.51 123.02 1ktm h ILE 999 Ca 0.02 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.57 1ktm h ILE 999 Cb 0.63 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1ktm h ILE 999 CO 0.03 0.01 0.47 -1.13 -0.69 0.00 0.00 178.15 176.84 1ktm h ASN 1000N -0.65 0.00 0.09 1.72 -1.24 -0.26 0.23 115.58 115.47 1ktm h ASN 1000Ca -0.06 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1ktm h ASN 1000Cb 0.49 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 1ktm h ASN 1000CO 0.10 0.00 -0.04 0.11 -1.29 0.00 0.00 177.43 176.31 1ktm h LYS 1001N 0.00 -0.11 -0.30 6.67 6.56 -0.37 -2.97 116.57 126.05 1ktm h LYS 1001Ca 0.23 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.92 1ktm h LYS 1001Cb 1.17 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1ktm h LYS 1001CO -0.00 -0.07 0.56 0.00 -2.06 0.00 0.00 179.45 177.87 1ktm h MET 1002N -0.57 0.00 0.11 3.15 -0.00 0.16 0.60 114.93 118.39 1ktm h MET 1002Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1ktm h MET 1002Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 1ktm h MET 1002CO 0.02 0.00 -0.05 0.87 -0.00 0.00 0.00 176.91 177.75 1ktm h LYS 1003N 0.00 -0.14 -0.32 -0.10 1.57 -0.62 -2.92 116.57 114.03 1ktm h LYS 1003Ca 0.14 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1ktm h LYS 1003Cb 1.26 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1ktm h LYS 1003CO -0.00 0.32 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.77 1ktm h LEU 1004N -0.69 0.87 -0.91 2.94 3.38 -0.44 -3.02 115.31 117.45 1ktm h LEU 1004Ca -0.02 -0.48 0.26 0.00 0.09 0.00 0.00 57.88 57.73 1ktm h LEU 1004Cb 0.53 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 40.88 1ktm h LEU 1004CO 0.02 1.17 0.24 0.00 0.09 0.00 0.00 178.44 179.96 1ktm h ALA 1005N 0.72 1.34 -1.18 1.53 0.00 -0.02 1.63 119.26 123.27 1ktm h ALA 1005Ca 0.05 0.24 0.34 0.00 0.00 0.00 0.00 54.91 55.54 1ktm h ALA 1005Cb 0.94 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1ktm h ALA 1005CO 0.09 -0.52 0.81 1.96 0.00 0.00 0.00 179.25 181.58 1ktm h GLN 1006N 0.17 0.16 0.07 0.00 1.08 -1.37 0.20 115.11 115.41 1ktm h GLN 1006Ca 0.59 -0.01 -0.36 0.00 -1.45 0.00 0.00 58.65 57.42 1ktm h GLN 1006Cb 1.23 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 1ktm h GLN 1006CO -0.70 0.11 -2.08 0.94 -0.95 0.00 0.00 178.83 176.14 1ktm n GLN 1007N -4.42 0.71 -0.82 1.46 0.00 0.52 -4.21 117.38 110.62 1ktm n GLN 1007Ca 0.28 0.22 -0.13 0.00 -0.00 0.00 0.00 57.00 57.37 1ktm n GLN 1007Cb 1.16 -1.67 0.02 0.00 0.00 0.00 0.00 30.24 29.76 1ktm n GLN 1007CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ktm n TYR 1008N -3.30 1.17 0.00 3.69 4.01 0.83 -3.66 117.16 119.89 1ktm n TYR 1008Ca -0.32 -1.74 0.00 0.00 -0.16 0.00 0.00 57.90 55.68 1ktm n TYR 1008Cb 1.04 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.65 0.00 -0.85 -0.72 3.14 -0.24 0.34 118.33 120.66 1ktm n VAL 1009Ca 0.24 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.21 1ktm n VAL 1009Cb 0.56 -0.65 -0.10 0.00 -1.06 0.00 0.00 33.84 32.59 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 -2.40 0.45 0.00 1.45 0.00 -1.24 -2.21 117.12 113.17 1ktm n MET 1010Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 57.70 56.35 1ktm n MET 1010Cb 0.27 -2.82 0.00 0.00 0.00 0.00 0.00 33.22 30.67 1ktm n MET 1010CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ktm n THR 1011N 7.03 0.00 0.00 3.17 5.66 -1.26 -4.95 114.28 123.93 1ktm n THR 1011Ca 0.47 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 1ktm n THR 1011Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1ktm n THR 1011CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ktm n SER 1012N 0.00 0.00 -0.63 1.09 7.64 -0.94 -4.97 113.62 115.80 1ktm n SER 1012Ca 0.00 0.00 0.49 0.00 1.01 0.00 0.00 58.87 60.37 1ktm n SER 1012Cb 0.00 0.00 0.76 0.00 -1.01 0.00 0.00 64.21 63.96 1ktm n SER 1012CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ktm n LEU 1013N 0.00 0.00 -0.36 -3.43 -0.00 -1.26 -0.62 117.00 111.33 1ktm n LEU 1013Ca 0.00 0.96 -0.07 0.00 -0.00 0.00 0.00 56.01 56.89 1ktm n LEU 1013Cb 0.00 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 42.91 1ktm n LEU 1013CO 0.00 -0.96 0.44 1.67 -0.00 0.00 0.00 177.39 178.55 1ktm n GLN 1014N -3.81 -0.34 -0.27 1.96 7.27 0.15 0.19 117.38 122.54 1ktm n GLN 1014Ca 0.41 1.33 0.26 0.00 0.07 0.00 0.00 57.00 59.07 1ktm n GLN 1014Cb 1.95 -1.96 0.48 0.00 2.41 0.00 0.00 30.24 33.12 1ktm n GLN 1014CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ktm n GLN 1015N -5.14 -0.05 0.07 3.69 10.64 0.21 0.22 117.38 127.01 1ktm n GLN 1015Ca 0.04 1.17 -0.03 0.00 -1.83 0.00 0.00 57.00 56.35 1ktm n GLN 1015Cb 0.26 -2.08 -0.01 0.00 -0.86 0.00 0.00 30.24 27.55 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 -0.17 -0.22 2.61 4.81 0.19 -2.89 114.58 118.91 1ktm h GLU 1016Ca 0.70 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 60.00 1ktm h GLU 1016Cb 1.83 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 1ktm h GLU 1016CO -0.66 -0.11 0.30 1.88 -0.73 0.00 0.00 179.01 179.69 1ktm h TYR 1017N -0.24 0.00 0.07 0.92 -1.99 -0.47 -0.61 116.97 114.65 1ktm h TYR 1017Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ktm h TYR 1017Cb 0.13 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1ktm h TYR 1017CO 0.12 0.00 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.02 1ktm h LYS 1018N 0.00 -0.10 -0.71 4.88 1.63 0.27 0.66 116.57 123.20 1ktm h LYS 1018Ca 0.10 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1ktm h LYS 1018Cb 0.70 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.31 1ktm h LYS 1018CO -0.00 -0.07 0.47 0.87 -3.45 0.00 0.00 179.45 177.27 1ktm h LYS 1019N -0.11 0.80 0.48 1.90 6.56 -0.90 -1.68 116.57 123.64 1ktm h LYS 1019Ca -0.01 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 1ktm h LYS 1019Cb 0.08 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1ktm h LYS 1019CO 0.01 0.53 -0.23 1.96 -2.06 0.00 0.00 179.45 179.66 1ktm h GLN 1020N 0.83 -0.63 -0.94 3.15 1.08 -1.15 -2.19 115.11 115.26 1ktm h GLN 1020Ca 0.29 0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.71 1ktm h GLN 1020Cb 0.12 0.14 -0.11 0.00 -0.05 0.00 0.00 27.48 27.58 1ktm h GLN 1020CO -0.09 -0.37 0.53 0.52 -0.95 0.00 0.00 178.83 178.47 1ktm h MET 1021N -0.76 0.65 -0.62 1.46 2.86 -0.41 0.16 114.93 118.27 1ktm h MET 1021Ca -0.07 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1ktm h MET 1021Cb 0.55 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 1ktm h MET 1021CO 0.11 0.43 0.37 1.25 1.06 0.00 0.00 176.91 180.13 1ktm h LEU 1022N 0.67 0.60 -0.61 1.22 7.12 -1.08 0.15 115.31 123.38 1ktm h LEU 1022Ca 0.54 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.68 1ktm h LEU 1022Cb 0.85 -0.12 -0.11 0.00 -0.53 0.00 0.00 40.66 40.74 1ktm h LEU 1022CO -0.40 0.41 -0.13 0.74 -0.13 0.00 0.00 178.44 178.93 1ktm h THR 1023N 0.73 0.40 -0.39 1.05 2.02 -0.05 0.42 112.91 117.10 1ktm h THR 1023Ca 0.26 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.35 1ktm h THR 1023Cb 0.05 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1ktm h THR 1023CO -0.12 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.72 1ktm h ALA 1024N 1.61 0.53 -0.78 6.16 0.00 -1.20 -2.18 119.26 123.40 1ktm h ALA 1024Ca 0.30 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1ktm h ALA 1024Cb 0.46 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ktm h ALA 1024CO -0.62 0.36 0.52 0.00 0.00 0.00 0.00 179.25 179.52 1ktm h ALA 1025N 0.85 2.14 0.32 0.00 0.00 0.12 1.88 119.26 124.57 1ktm h ALA 1025Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ktm h ALA 1025Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ktm h ALA 1025CO 0.03 -0.36 -0.15 1.25 0.00 0.00 0.00 179.25 180.02 1ktm h HIS 1026N 0.41 -0.40 -0.41 0.00 2.76 0.20 -2.00 115.15 115.71 1ktm h HIS 1026Ca 0.39 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 1ktm h HIS 1026Cb 0.92 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 1ktm h HIS 1026CO -0.00 -0.06 0.15 0.00 -1.30 0.00 0.00 177.93 176.72 1ktm h ALA 1027N -0.48 1.49 0.24 5.26 0.00 -0.67 -2.92 119.26 122.19 1ktm h ALA 1027Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ktm h ALA 1027Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ktm h ALA 1027CO 0.07 0.39 -0.20 -0.07 0.00 0.00 0.00 179.25 179.44 1ktm h LEU 1028N 0.58 -0.53 -0.96 0.00 3.38 0.29 1.53 115.31 119.60 1ktm h LEU 1028Ca 0.14 0.04 0.39 0.00 0.09 0.00 0.00 57.88 58.54 1ktm h LEU 1028Cb 0.15 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 1ktm h LEU 1028CO -0.01 -0.28 0.48 0.00 0.09 0.00 0.00 178.44 178.72 1ktm n ALA 1029N -2.43 0.95 0.01 1.53 0.00 -0.76 0.13 120.51 119.94 1ktm n ALA 1029Ca -0.05 0.98 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 1ktm n ALA 1029Cb 0.19 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 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 1.21 -0.79 0.00 2.07 -1.15 -2.46 116.25 115.14 1ktm h VAL 1030Ca 0.80 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 67.06 1ktm h VAL 1030Cb 2.08 2.04 -0.11 0.00 -1.52 0.00 0.00 31.29 33.78 1ktm h VAL 1030CO -0.75 0.31 -0.54 0.44 0.02 0.00 0.00 177.57 177.05 1ktm h ASP 1031N -0.74 -1.93 -0.73 0.57 5.19 1.04 1.92 116.42 121.73 1ktm h ASP 1031Ca -0.01 0.29 0.10 0.00 -0.62 0.00 0.00 57.03 56.80 1ktm h ASP 1031Cb 0.59 0.85 -0.05 0.00 0.18 0.00 0.00 39.33 40.90 1ktm h ASP 1031CO 0.02 -0.30 0.48 0.00 -3.12 0.00 0.00 179.24 176.32 1ktm h ALA 1032N 0.46 1.88 0.62 3.45 0.00 -0.95 -1.78 119.26 122.93 1ktm h ALA 1032Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ktm h ALA 1032Cb 0.50 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ktm h ALA 1032CO -0.82 -0.04 -0.30 -0.22 0.00 0.00 0.00 179.25 177.88 1ktm h LYS 1033N 0.60 -0.80 -1.71 0.00 3.11 0.24 -2.80 116.57 115.22 1ktm h LYS 1033Ca 0.34 0.05 0.51 0.00 -2.81 0.00 0.00 60.65 58.75 1ktm h LYS 1033Cb 0.52 0.18 -0.09 0.00 -1.00 0.00 0.00 32.23 31.85 1ktm h LYS 1033CO -0.12 -0.53 1.20 -0.97 -2.81 0.00 0.00 179.45 176.22 1ktm h ASN 1034N -1.16 0.06 0.00 4.20 -1.24 0.28 1.29 115.58 119.02 1ktm h ASN 1034Ca -0.08 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1ktm h ASN 1034Cb 0.63 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.72 1ktm h ASN 1034CO 0.14 -0.05 0.00 -0.11 -1.29 0.00 0.00 177.43 176.12 1ktm n LEU 1035N -4.17 0.03 -0.37 0.34 0.00 -0.72 -2.11 117.00 110.00 1ktm n LEU 1035Ca 0.40 0.91 0.01 0.00 0.00 0.00 0.00 56.01 57.33 1ktm n LEU 1035Cb 1.77 -0.45 0.15 0.00 0.00 0.00 0.00 43.42 44.89 1ktm n LEU 1035CO 0.38 -0.45 1.28 0.25 0.00 0.00 0.00 177.39 178.85 1ktm h LEU 1036N 0.00 1.09 -0.92 -1.96 5.85 -0.69 -2.41 115.31 116.26 1ktm h LEU 1036Ca 0.00 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1ktm h LEU 1036Cb 0.00 -0.25 -0.14 0.00 0.37 0.00 0.00 40.66 40.64 1ktm h LEU 1036CO 0.00 0.74 -0.45 -0.78 -0.34 0.00 0.00 178.44 177.61 1ktm h ASP 1037N 1.26 -1.62 -0.85 1.25 3.58 0.15 1.96 116.42 122.15 1ktm h ASP 1037Ca 0.40 0.30 0.07 0.00 0.42 0.00 0.00 57.03 58.22 1ktm h ASP 1037Cb 0.01 0.79 -0.06 0.00 1.72 0.00 0.00 39.33 41.80 1ktm h ASP 1037CO -0.13 -0.28 0.56 0.58 -2.88 0.00 0.00 179.24 177.09 1ktm h VAL 1038N -0.04 1.05 -0.55 2.25 2.07 -0.91 -0.56 116.25 119.55 1ktm h VAL 1038Ca 0.27 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1ktm h VAL 1038Cb 0.54 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ktm h VAL 1038CO -0.92 0.17 0.17 0.40 0.02 0.00 0.00 177.57 177.41 1ktm h ILE 1039N 0.94 1.24 -1.02 4.57 2.04 0.27 -2.12 117.51 123.43 1ktm h ILE 1039Ca 0.37 -0.80 0.25 0.00 1.00 0.00 0.00 64.86 65.68 1ktm h ILE 1039Cb 0.23 0.72 -0.12 0.00 -0.74 0.00 0.00 36.82 36.91 1ktm h ILE 1039CO -0.14 0.30 0.62 -0.78 0.00 0.00 0.00 178.15 178.15 1ktm h ASP 1040N 0.77 0.61 1.01 1.72 3.58 0.27 1.86 116.42 126.24 1ktm h ASP 1040Ca 0.18 0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.66 1ktm h ASP 1040Cb 0.29 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1ktm h ASP 1040CO -0.01 0.10 -0.44 1.56 -2.88 0.00 0.00 179.24 177.58 1ktm h GLN 1041N 0.53 0.00 0.16 0.28 4.20 -1.16 -2.95 115.11 116.17 1ktm h GLN 1041Ca 0.63 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 59.10 1ktm h GLN 1041Cb 1.31 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.11 1ktm h GLN 1041CO -0.42 0.44 -1.09 0.00 -0.67 0.00 0.00 178.83 177.09 1ktm h ALA 1042N 1.56 -0.05 -0.56 3.87 0.00 0.25 -3.04 119.26 121.29 1ktm h ALA 1042Ca -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 54.20 1ktm h ALA 1042Cb 1.06 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1ktm h ALA 1042CO 0.06 0.54 0.06 -0.09 0.00 0.00 0.00 179.25 179.81 1ktm h ARG 1043N -0.25 0.17 -0.70 0.00 2.43 0.22 0.15 114.38 116.40 1ktm h ARG 1043Ca -0.20 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1ktm h ARG 1043Cb 1.78 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.26 1ktm h ARG 1043CO 0.16 0.11 0.30 1.37 -1.51 0.00 0.00 179.97 180.40 1ktm h LEU 1044N 0.18 0.93 -1.53 3.80 8.10 -1.63 -1.06 115.31 124.10 1ktm h LEU 1044Ca 0.29 -0.12 0.15 0.00 0.11 0.00 0.00 57.88 58.30 1ktm h LEU 1044Cb 0.44 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.40 1ktm h LEU 1044CO -0.43 0.81 0.71 0.11 -4.11 0.00 0.00 178.44 175.54 1ktm h LYS 1045N 1.00 0.00 0.00 0.17 6.56 -0.57 1.85 116.57 125.58 1ktm h LYS 1045Ca 0.24 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.57 1ktm h LYS 1045Cb 0.16 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 1ktm h LYS 1045CO -0.02 0.00 -1.41 1.98 -2.06 0.00 0.00 179.45 177.94 1ktm h MET 1046N 0.00 0.00 -0.79 3.15 4.05 -1.02 -3.36 114.93 116.96 1ktm h MET 1046Ca 0.24 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.79 1ktm h MET 1046Cb 1.67 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 32.33 1ktm h MET 1046CO -0.00 0.69 -0.34 0.82 0.23 0.00 0.00 176.91 178.31 1ktm h ILE 1047N 0.00 0.10 -3.12 1.77 1.08 0.29 -2.77 117.51 114.86 1ktm h ILE 1047Ca -0.17 0.00 -0.66 0.00 -0.39 0.00 0.00 64.86 63.64 1ktm h ILE 1047Cb 1.90 0.10 -0.39 0.00 -3.07 0.00 0.00 36.82 35.37 1ktm h ILE 1047CO 0.10 0.00 -0.31 -1.20 -0.69 0.00 0.00 178.15 176.05 1ktm n SER 1048N -5.46 3.74 -2.69 1.72 7.64 -1.22 -4.81 113.62 112.54 1ktm n SER 1048Ca 0.08 -3.20 -0.05 0.00 1.01 0.00 0.00 58.87 56.70 1ktm n SER 1048Cb 0.38 -0.90 0.09 0.00 -1.01 0.00 0.00 64.21 62.77 1ktm n SER 1048CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ktm n GLN 1049N 2.01 0.42 -2.11 1.43 0.00 -1.04 -4.99 117.38 113.10 1ktm n GLN 1049Ca 0.22 -1.11 0.00 0.00 -0.00 0.00 0.00 57.00 56.10 1ktm n GLN 1049Cb 0.36 -0.55 0.00 0.00 0.00 0.00 0.00 30.24 30.06 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ktm n SER 1050N 0.88 -9.01 -4.74 1.69 2.88 -1.26 -4.85 113.62 99.21 1ktm n SER 1050Ca 0.01 1.45 -0.41 0.00 -1.33 0.00 0.00 58.87 58.58 1ktm n SER 1050Cb 0.71 -5.06 -0.02 0.00 -0.75 0.00 0.00 64.21 59.09 1ktm n SER 1050CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ktm s ARG 1051N -0.66 4.27 0.51 -1.46 3.00 -1.26 -5.01 118.95 118.33 1ktm s ARG 1051Ca 0.00 2.29 -0.09 0.00 -1.00 0.00 0.00 55.73 56.94 1ktm s ARG 1051Cb 0.00 -3.12 0.12 0.00 0.00 0.00 0.00 34.95 31.95 1ktm s ARG 1051CO 0.00 -0.44 0.56 -0.35 0.00 0.00 0.00 175.30 175.07 1ktm n PRO 1052N 2.55 -1.29 0.00 5.12 -0.04 -1.26 -5.25 135.00 134.83 1ktm n PRO 1052Ca 0.08 -0.88 0.06 0.00 -0.04 0.00 0.00 63.50 62.72 1ktm n PRO 1052Cb 0.40 -0.69 0.05 0.00 -0.04 0.00 0.00 33.50 33.22 1ktm n PRO 1052CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07