#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 0.45 -1.64 3.04 0.00 -1.26 -5.05 120.51 116.05 1ktm n ALA 916 Ca 0.00 -0.89 -0.45 0.00 0.00 0.00 0.00 53.44 52.10 1ktm n ALA 916 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1ktm n ALA 916 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ktm n ASN 917 N -2.42 2.18 -3.06 0.00 4.13 -1.26 -4.92 115.26 109.91 1ktm n ASN 917 Ca 0.04 1.17 -0.25 0.00 1.68 0.00 0.00 54.58 57.22 1ktm n ASN 917 Cb 0.25 -1.38 -0.04 0.00 -1.54 0.00 0.00 39.78 37.07 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 1.49 3.49 0.00 3.41 4.77 -1.26 -5.08 117.00 123.82 1ktm n LEU 918 Ca 0.09 -5.48 -0.22 0.00 -0.03 0.00 0.00 56.01 50.38 1ktm n LEU 918 Cb 0.32 -0.27 0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1ktm n LEU 918 CO 0.62 2.30 0.64 -0.67 -1.33 0.00 0.00 177.39 178.94 1ktm n ASP 919 N 0.07 0.11 -1.73 -1.43 2.03 -1.26 -4.93 116.55 109.41 1ktm n ASP 919 Ca 0.29 -1.37 -0.13 0.00 0.52 0.00 0.00 54.79 54.09 1ktm n ASP 919 Cb 0.45 -0.74 0.05 0.00 -0.72 0.00 0.00 41.12 40.16 1ktm n ASP 919 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ktm n ARG 920 N -3.06 1.66 -0.09 -0.67 1.85 -1.26 -4.14 116.66 110.96 1ktm n ARG 920 Ca 0.12 -1.40 -0.20 0.00 -1.00 0.00 0.00 57.85 55.37 1ktm n ARG 920 Cb 0.43 -1.55 -0.12 0.00 -1.05 0.00 0.00 32.46 30.17 1ktm n ARG 920 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ktm h SER 921 N 1.02 0.03 0.11 2.89 4.64 -1.98 -2.40 113.55 117.85 1ktm h SER 921 Ca 0.28 -0.66 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1ktm h SER 921 Cb 1.30 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ktm h SER 921 CO 0.62 1.38 -0.05 0.78 -0.87 0.00 0.00 176.83 178.69 1ktm h ASN 922 N -0.95 0.00 0.04 4.97 4.21 -1.94 -1.55 115.58 120.36 1ktm h ASN 922 Ca -0.26 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.19 1ktm h ASN 922 Cb 1.26 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.47 1ktm h ASN 922 CO -0.14 0.05 -0.27 -0.78 -1.29 0.00 0.00 177.43 175.00 1ktm h ASP 923 N 0.00 0.14 -0.05 5.81 3.58 -1.82 -2.78 116.42 121.30 1ktm h ASP 923 Ca -0.00 -0.98 0.02 0.00 0.42 0.00 0.00 57.03 56.49 1ktm h ASP 923 Cb 0.11 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 1ktm h ASP 923 CO 0.01 1.13 -0.48 0.11 -2.88 0.00 0.00 179.24 177.13 1ktm h LYS 924 N -0.81 -0.54 0.04 0.28 1.79 -0.86 1.52 116.57 117.99 1ktm h LYS 924 Ca -0.05 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1ktm h LYS 924 Cb 1.20 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1ktm h LYS 924 CO 0.04 -0.36 -0.19 0.28 -1.08 0.00 0.00 179.45 178.14 1ktm h VAL 925 N -0.56 0.00 -1.20 0.50 2.07 -1.45 0.89 116.25 116.49 1ktm h VAL 925 Ca 0.02 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.88 1ktm h VAL 925 Cb 0.62 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1ktm h VAL 925 CO -0.35 0.00 0.82 1.88 0.02 0.00 0.00 177.57 179.95 1ktm h TYR 926 N -0.27 0.27 0.21 1.57 -1.99 -1.22 0.32 116.97 115.86 1ktm h TYR 926 Ca -0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1ktm h TYR 926 Cb 0.27 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1ktm h TYR 926 CO -0.36 -0.00 -0.10 1.49 -0.00 0.00 0.00 178.16 179.18 1ktm h GLU 927 N 0.14 -0.27 -0.70 4.88 4.22 0.41 -2.33 114.58 120.93 1ktm h GLU 927 Ca 0.62 0.02 0.15 0.00 0.08 0.00 0.00 59.36 60.23 1ktm h GLU 927 Cb 2.14 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 31.32 1ktm h GLU 927 CO -0.15 -0.18 -0.10 -0.97 -2.18 0.00 0.00 179.01 175.44 1ktm h ASN 928 N -0.59 -0.51 -0.17 1.04 -0.73 0.16 1.63 115.58 116.42 1ktm h ASN 928 Ca -0.03 0.20 0.05 0.00 1.87 0.00 0.00 56.30 58.39 1ktm h ASN 928 Cb 0.21 0.38 -0.07 0.00 0.27 0.00 0.00 38.32 39.12 1ktm h ASN 928 CO 0.05 -0.20 -0.38 0.58 -0.37 0.00 0.00 177.43 177.11 1ktm h VAL 929 N 0.04 0.19 0.34 2.57 2.07 -0.50 0.19 116.25 121.16 1ktm h VAL 929 Ca 0.36 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 1ktm h VAL 929 Cb 0.58 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ktm h VAL 929 CO -0.68 0.00 -0.16 0.71 0.02 0.00 0.00 177.57 177.46 1ktm h THR 930 N -0.43 0.00 -0.69 2.57 1.35 -0.23 -0.54 112.91 114.95 1ktm h THR 930 Ca 0.09 -0.15 0.11 0.00 -0.55 0.00 0.00 66.41 65.91 1ktm h THR 930 Cb 0.59 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.90 1ktm h THR 930 CO -0.40 0.00 -0.25 0.61 -0.25 0.00 0.00 175.52 175.23 1ktm n GLY 931 N -0.32 -1.36 0.10 5.82 0.00 0.53 0.22 105.19 110.18 1ktm n GLY 931 Ca -0.06 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 0.46 0.99 8.10 -0.66 -1.77 115.31 122.31 1ktm h LEU 932 Ca 0.26 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 58.09 1ktm h LEU 932 Cb 0.43 0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1ktm h LEU 932 CO -0.69 0.07 -0.41 0.58 -4.11 0.00 0.00 178.44 173.89 1ktm h VAL 933 N -0.31 0.00 -1.10 0.15 2.07 0.32 0.28 116.25 117.66 1ktm h VAL 933 Ca -0.01 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.91 1ktm h VAL 933 Cb 0.26 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.87 1ktm h VAL 933 CO 0.02 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.36 1ktm h LYS 934 N -0.85 0.08 0.11 1.57 1.57 0.26 0.99 116.57 120.31 1ktm h LYS 934 Ca -0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ktm h LYS 934 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ktm h LYS 934 CO -0.03 0.05 -0.05 0.00 -0.57 0.00 0.00 179.45 178.85 1ktm h ALA 935 N 1.85 -0.15 -1.05 3.86 0.00 -0.28 0.25 119.26 123.73 1ktm h ALA 935 Ca 0.82 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.95 1ktm h ALA 935 Cb 2.25 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 19.93 1ktm h ALA 935 CO -0.64 -0.37 0.60 0.28 0.00 0.00 0.00 179.25 179.12 1ktm n VAL 936 N -4.97 -0.37 -0.02 0.00 0.31 0.34 0.14 118.33 113.76 1ktm n VAL 936 Ca -0.09 1.90 -0.01 0.00 -0.01 0.00 0.00 64.34 66.14 1ktm n VAL 936 Cb 0.24 -3.10 -0.00 0.00 -0.91 0.00 0.00 33.84 30.06 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 -0.80 2.52 1.08 -1.19 -3.31 117.51 115.81 1ktm h ILE 937 Ca 0.83 -0.36 0.25 0.00 -0.39 0.00 0.00 64.86 65.19 1ktm h ILE 937 Cb 2.30 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 35.91 1ktm h ILE 937 CO -0.67 0.00 0.11 1.21 -0.69 0.00 0.00 178.15 178.11 1ktm n GLU 938 N -3.04 -0.06 0.10 2.37 4.07 0.85 0.67 120.64 125.60 1ktm n GLU 938 Ca -0.01 1.18 -0.16 0.00 -0.06 0.00 0.00 57.16 58.10 1ktm n GLU 938 Cb 0.04 -1.92 -0.09 0.00 -0.06 0.00 0.00 31.44 29.41 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 -0.69 -1.16 5.31 4.05 0.10 0.44 114.93 122.98 1ktm h MET 939 Ca 0.53 0.05 0.35 0.00 -0.28 0.00 0.00 59.70 60.34 1ktm h MET 939 Cb 1.18 0.16 -0.11 0.00 -0.80 0.00 0.00 31.60 32.03 1ktm h MET 939 CO -0.72 -0.46 0.74 0.66 0.23 0.00 0.00 176.91 177.36 1ktm h SER 940 N -0.72 0.35 -0.03 1.39 4.64 0.15 3.32 113.55 122.65 1ktm h SER 940 Ca 0.00 0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1ktm h SER 940 Cb 0.74 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1ktm h SER 940 CO -0.31 -0.06 -0.14 -1.28 -0.87 0.00 0.00 176.83 174.18 1ktm h SER 941 N 0.24 0.33 -0.05 4.97 0.87 -0.56 -2.63 113.55 116.72 1ktm h SER 941 Ca 0.71 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 61.17 1ktm h SER 941 Cb 2.01 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.87 1ktm h SER 941 CO -0.38 0.50 -0.20 2.29 -0.53 0.00 0.00 176.83 178.52 1ktm n LYS 942 N -4.23 1.58 -0.11 2.24 2.85 0.70 -4.64 118.16 116.55 1ktm n LYS 942 Ca -0.00 -2.93 -0.25 0.00 -1.05 0.00 0.00 58.31 54.08 1ktm n LYS 942 Cb 0.30 -1.60 -0.11 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.22 1.55 -0.19 0.58 0.00 0.94 -2.57 119.36 118.46 1ktm n ILE 943 Ca 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 62.75 62.64 1ktm n ILE 943 Cb 0.71 -1.91 0.02 0.00 0.00 0.00 0.00 39.64 38.47 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 -0.84 -0.12 0.00 9.51 4.15 -1.80 -2.57 115.11 123.45 1ktm h GLN 944 Ca -0.52 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 1ktm h GLN 944 Cb 1.54 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1ktm h GLN 944 CO -0.27 -0.08 -0.00 -1.00 -1.93 0.00 0.00 178.83 175.55 1ktm h PRO 945 N -0.12 -0.00 -4.31 -2.39 0.13 -1.86 -3.46 132.00 119.98 1ktm h PRO 945 Ca 0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.80 1ktm h PRO 945 Cb 0.51 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.68 1ktm h PRO 945 CO -0.63 0.74 0.08 0.00 -0.23 0.00 0.00 178.00 177.95 1ktm n ALA 946 N -2.48 -2.63 -1.52 -0.56 0.00 -0.97 -4.89 120.51 107.45 1ktm n ALA 946 Ca -0.09 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1ktm n ALA 946 Cb 0.36 -1.27 0.20 0.00 0.00 0.00 0.00 19.45 18.74 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 0.17 -0.06 0.35 0.00 0.04 -1.26 -4.76 135.00 129.47 1ktm s PRO 947 Ca 0.66 -0.16 0.27 0.00 0.04 0.00 0.00 61.00 61.80 1ktm s PRO 947 Cb -0.92 -1.74 0.88 0.00 0.04 0.00 0.00 34.50 32.76 1ktm s PRO 947 CO 0.42 -2.92 1.77 -1.00 0.04 0.00 0.00 177.00 175.31 1ktm h PRO 948 N -2.01 0.00 0.00 0.56 0.13 -1.92 0.26 132.00 129.02 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 0.40 0.00 -0.57 0.39 -0.23 0.00 0.00 178.00 177.99 1ktm n GLU 949 N -2.63 0.26 -0.00 0.86 -0.58 -1.26 -2.87 120.64 114.42 1ktm n GLU 949 Ca 0.03 0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.89 1ktm n GLU 949 Cb 0.37 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1ktm n GLU 949 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ktm n GLU 950 N -2.05 4.47 -0.02 3.49 4.07 -1.00 -4.57 120.64 125.02 1ktm n GLU 950 Ca 0.04 -0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.99 1ktm n GLU 950 Cb 0.43 -0.84 -0.14 0.00 -0.06 0.00 0.00 31.44 30.83 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 -1.20 1.02 -0.19 4.31 9.36 0.87 -2.93 117.16 128.40 1ktm n TYR 951 Ca 0.01 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1ktm n TYR 951 Cb 0.11 -1.16 0.09 0.00 -0.63 0.00 0.00 39.34 37.75 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 0.56 0.12 2.97 2.07 -1.76 -2.34 116.25 117.90 1ktm h VAL 952 Ca -0.36 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ktm h VAL 952 Cb 2.03 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1ktm h VAL 952 CO 0.07 0.03 -0.06 1.55 0.02 0.00 0.00 177.57 179.19 1ktm h PRO 953 N 0.16 -0.16 -0.42 1.57 0.13 -1.83 -2.85 132.00 128.60 1ktm h PRO 953 Ca 0.30 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.48 1ktm h PRO 953 Cb 0.48 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 1ktm h PRO 953 CO -0.46 0.29 -0.25 -1.33 -0.23 0.00 0.00 178.00 176.01 1ktm n MET 954 N -4.86 -0.19 0.18 0.86 2.81 -1.06 0.15 117.12 115.01 1ktm n MET 954 Ca -0.07 0.70 -0.14 0.00 -1.81 0.00 0.00 57.70 56.37 1ktm n MET 954 Cb 0.26 -1.02 -0.08 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.72 -1.02 2.03 2.07 -1.56 -2.46 116.25 116.02 1ktm h VAL 955 Ca 0.07 -0.29 0.35 0.00 0.82 0.00 0.00 66.70 67.64 1ktm h VAL 955 Cb 0.17 0.88 -0.15 0.00 -1.52 0.00 0.00 31.29 30.67 1ktm h VAL 955 CO -0.40 0.06 0.58 0.50 0.02 0.00 0.00 177.57 178.34 1ktm h LYS 956 N -0.58 0.24 -0.15 1.57 3.64 0.11 0.85 116.57 122.25 1ktm h LYS 956 Ca -0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ktm h LYS 956 Cb 0.42 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ktm h LYS 956 CO 0.07 0.16 0.06 0.93 -2.27 0.00 0.00 179.45 178.40 1ktm h GLU 957 N 0.25 0.13 -0.68 1.90 3.07 0.18 -2.10 114.58 117.33 1ktm h GLU 957 Ca 0.76 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.75 1ktm h GLU 957 Cb 1.84 -0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 29.62 1ktm h GLU 957 CO -0.62 0.09 0.16 0.28 -1.40 0.00 0.00 179.01 177.51 1ktm h VAL 958 N 0.13 0.56 -0.77 3.13 2.07 0.93 0.17 116.25 122.48 1ktm h VAL 958 Ca 0.06 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1ktm h VAL 958 Cb 0.03 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 1ktm h VAL 958 CO -0.06 0.05 0.44 1.23 0.02 0.00 0.00 177.57 179.26 1ktm h GLY 959 N 0.27 1.16 0.99 2.17 0.00 -0.79 -0.67 103.07 106.19 1ktm h GLY 959 Ca 0.37 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1ktm h GLY 959 CO -0.47 0.17 0.65 -2.00 0.00 0.00 0.00 176.54 174.89 1ktm h LEU 960 N 0.79 1.12 -0.77 3.11 6.46 -0.11 -1.44 115.31 124.47 1ktm h LEU 960 Ca 0.35 -0.03 0.12 0.00 -0.12 0.00 0.00 57.88 58.21 1ktm h LEU 960 Cb 0.25 -0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 1ktm h LEU 960 CO -0.21 0.80 0.37 0.00 -0.62 0.00 0.00 178.44 178.79 1ktm h ALA 961 N 1.37 1.11 0.29 1.25 0.00 0.12 -1.52 119.26 121.87 1ktm h ALA 961 Ca 0.37 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ktm h ALA 961 Cb -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ktm h ALA 961 CO -0.09 -0.09 -0.38 -0.07 0.00 0.00 0.00 179.25 178.62 1ktm h LEU 962 N 0.58 -1.08 -0.97 0.00 3.38 -0.92 0.99 115.31 117.29 1ktm h LEU 962 Ca 0.41 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.73 1ktm h LEU 962 Cb 0.53 0.38 -0.18 0.00 0.09 0.00 0.00 40.66 41.48 1ktm h LEU 962 CO -0.33 -0.51 -0.00 0.03 0.09 0.00 0.00 178.44 177.72 1ktm h ARG 963 N -0.73 0.02 0.00 1.13 3.08 -1.07 0.68 114.38 117.50 1ktm h ARG 963 Ca -0.01 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ktm h ARG 963 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1ktm h ARG 963 CO -0.12 0.01 -0.00 1.15 -1.07 0.00 0.00 179.97 179.94 1ktm h THR 964 N 0.02 1.53 -1.01 2.04 2.02 -0.90 -2.98 112.91 113.63 1ktm h THR 964 Ca 0.57 -1.56 0.27 0.00 0.77 0.00 0.00 66.41 66.47 1ktm h THR 964 Cb 1.13 2.59 -0.13 0.00 -1.74 0.00 0.00 68.15 69.99 1ktm h THR 964 CO -0.91 0.40 0.59 0.25 0.37 0.00 0.00 175.52 176.22 1ktm h LEU 965 N -0.66 0.62 0.77 2.58 6.46 0.41 0.49 115.31 125.98 1ktm h LEU 965 Ca -0.00 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1ktm h LEU 965 Cb 0.66 0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1ktm h LEU 965 CO 0.00 0.02 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.40 1ktm h LEU 966 N 0.49 -0.88 -0.12 2.25 4.07 0.22 0.21 115.31 121.56 1ktm h LEU 966 Ca 0.68 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.71 1ktm h LEU 966 Cb 1.39 0.23 -0.06 0.00 1.08 0.00 0.00 40.66 43.29 1ktm h LEU 966 CO -0.52 -0.62 -0.41 0.00 -1.08 0.00 0.00 178.44 175.81 1ktm h ALA 967 N -1.51 -0.59 -0.74 1.53 0.00 -0.92 0.43 119.26 117.46 1ktm h ALA 967 Ca -0.11 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1ktm h ALA 967 Cb 0.79 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1ktm h ALA 967 CO 0.17 -0.92 0.05 1.79 0.00 0.00 0.00 179.25 180.34 1ktm h THR 968 N -0.49 0.39 -0.97 0.00 1.35 -0.07 0.62 112.91 113.73 1ktm h THR 968 Ca 0.07 -0.05 0.06 0.00 -0.55 0.00 0.00 66.41 65.95 1ktm h THR 968 Cb 0.62 0.24 -0.07 0.00 -1.73 0.00 0.00 68.15 67.21 1ktm h THR 968 CO -0.39 0.03 0.62 0.58 -0.25 0.00 0.00 175.52 176.11 1ktm h VAL 969 N 0.14 1.08 -1.00 6.82 2.07 0.11 0.27 116.25 125.73 1ktm h VAL 969 Ca 0.41 -0.39 0.23 0.00 0.82 0.00 0.00 66.70 67.77 1ktm h VAL 969 Cb 0.73 -0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 1ktm h VAL 969 CO -0.62 0.21 0.63 -0.78 0.02 0.00 0.00 177.57 177.03 1ktm h ASP 970 N 1.13 0.59 1.29 0.57 3.58 0.23 1.57 116.42 125.38 1ktm h ASP 970 Ca 0.42 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.90 1ktm h ASP 970 Cb 0.16 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1ktm h ASP 970 CO -0.17 0.16 -0.29 -0.33 -2.88 0.00 0.00 179.24 175.73 1ktm h GLU 971 N 0.55 0.00 0.00 0.28 5.08 -0.63 -3.04 114.58 116.81 1ktm h GLU 971 Ca 0.58 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.74 1ktm h GLU 971 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1ktm h GLU 971 CO -0.34 0.29 -1.19 1.03 -1.00 0.00 0.00 179.01 177.80 1ktm h SER 972 N 0.00 0.00 -0.86 1.42 0.87 0.22 -3.24 113.55 111.97 1ktm h SER 972 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1ktm h SER 972 Cb 1.01 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.81 1ktm h SER 972 CO 0.04 0.80 -0.30 0.25 -0.53 0.00 0.00 176.83 177.09 1ktm h LEU 973 N 0.00 -1.10 -0.30 2.23 6.46 0.13 0.40 115.31 123.14 1ktm h LEU 973 Ca -0.12 0.27 -0.20 0.00 -0.12 0.00 0.00 57.88 57.71 1ktm h LEU 973 Cb 1.72 0.62 -0.00 0.00 -0.73 0.00 0.00 40.66 42.26 1ktm h LEU 973 CO 0.08 -0.29 -0.84 1.55 -0.62 0.00 0.00 178.44 178.32 1ktm h PRO 974 N -0.04 0.34 -1.28 5.25 0.13 -1.71 -3.10 132.00 131.60 1ktm h PRO 974 Ca 0.36 -0.33 0.37 0.00 -0.87 0.00 0.00 66.00 65.52 1ktm h PRO 974 Cb 0.61 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.77 1ktm h PRO 974 CO -0.89 1.01 0.92 0.28 -0.23 0.00 0.00 178.00 179.09 1ktm h VAL 975 N 0.21 0.36 -2.44 1.56 2.07 -0.27 -3.39 116.25 114.36 1ktm h VAL 975 Ca -0.05 -0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.90 1ktm h VAL 975 Cb 1.45 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 1ktm h VAL 975 CO 0.14 0.00 -0.62 -0.76 0.02 0.00 0.00 177.57 176.35 1ktm s LEU 976 N -8.33 3.37 0.90 2.57 2.01 -0.57 -4.89 118.68 113.75 1ktm s LEU 976 Ca -0.05 -0.47 -0.12 0.00 0.01 0.00 0.00 54.13 53.50 1ktm s LEU 976 Cb 0.24 -1.94 0.13 0.00 0.01 0.00 0.00 46.19 44.62 1ktm s LEU 976 CO 0.82 0.02 1.13 -2.16 1.01 0.00 0.00 176.35 177.18 1ktm s PRO 977 N -3.45 1.22 -0.76 1.29 0.04 -1.26 -4.86 135.00 127.21 1ktm s PRO 977 Ca 0.30 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.60 1ktm s PRO 977 Cb -0.08 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1ktm s PRO 977 CO 0.21 -2.15 2.34 0.00 0.04 0.00 0.00 177.00 177.44 1ktm n ALA 978 N -3.74 5.04 0.00 8.56 0.00 -1.26 -3.28 120.51 125.84 1ktm n ALA 978 Ca 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1ktm n ALA 978 Cb 0.59 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 3.69 4.17 -0.35 0.00 2.88 -1.26 -4.72 113.62 118.04 1ktm n SER 979 Ca 0.45 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.05 1ktm n SER 979 Cb 0.27 0.40 0.14 0.00 -0.75 0.00 0.00 64.21 64.27 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 -1.80 1.67 0.00 2.46 5.66 -1.20 -4.83 114.28 116.23 1ktm n THR 980 Ca 0.00 -1.71 0.00 0.00 -3.05 0.00 0.00 64.05 59.29 1ktm n THR 980 Cb 0.42 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.71 0.00 -0.29 1.09 8.25 -1.26 0.21 115.22 122.50 1ktm n HIS 981 Ca 0.13 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.74 1ktm n HIS 981 Cb 0.59 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.99 1ktm n HIS 981 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1ktm n ARG 982 N 0.00 -0.07 -0.04 -0.41 1.85 -1.26 0.14 116.66 116.87 1ktm n ARG 982 Ca 0.00 1.27 -0.09 0.00 -1.00 0.00 0.00 57.85 58.03 1ktm n ARG 982 Cb 0.00 -2.05 -0.03 0.00 -1.05 0.00 0.00 32.46 29.33 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ktm h GLU 983 N 0.00 -0.29 -0.67 2.89 5.08 -1.85 0.82 114.58 120.56 1ktm h GLU 983 Ca 0.56 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1ktm h GLU 983 Cb 1.22 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1ktm h GLU 983 CO -0.78 -0.19 0.45 0.82 -1.00 0.00 0.00 179.01 178.30 1ktm h ILE 984 N -0.30 1.15 -0.52 3.13 2.04 1.12 0.57 117.51 124.70 1ktm h ILE 984 Ca 0.13 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1ktm h ILE 984 Cb 0.50 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ktm h ILE 984 CO -0.39 0.16 0.06 -0.08 0.00 0.00 0.00 178.15 177.90 1ktm h GLU 985 N 0.89 0.87 0.00 2.37 4.22 0.94 -1.12 114.58 122.74 1ktm h GLU 985 Ca 0.25 -0.25 -0.11 0.00 0.08 0.00 0.00 59.36 59.34 1ktm h GLU 985 Cb -0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ktm h GLU 985 CO -0.06 0.87 -0.52 0.52 -2.18 0.00 0.00 179.01 177.64 1ktm h MET 986 N 0.75 0.00 0.00 1.92 2.86 0.15 -2.80 114.93 117.81 1ktm h MET 986 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1ktm h MET 986 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1ktm h MET 986 CO 0.01 0.52 -0.11 0.00 1.06 0.00 0.00 176.91 178.39 1ktm h ALA 987 N 1.48 0.96 0.02 6.32 0.00 0.44 -1.79 119.26 126.69 1ktm h ALA 987 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ktm h ALA 987 Cb 1.16 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ktm h ALA 987 CO 0.07 0.14 -0.25 1.96 0.00 0.00 0.00 179.25 181.17 1ktm h GLN 988 N 0.00 0.14 -0.20 0.00 4.20 -0.96 -2.99 115.11 115.30 1ktm h GLN 988 Ca -0.00 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1ktm h GLN 988 Cb 0.85 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1ktm h GLN 988 CO 0.01 0.97 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.72 1ktm h LYS 989 N -0.62 0.35 0.32 1.46 3.64 -1.51 -2.59 116.57 117.63 1ktm h LYS 989 Ca -0.04 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1ktm h LYS 989 Cb 1.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1ktm h LYS 989 CO 0.05 0.55 -0.23 1.25 -2.27 0.00 0.00 179.45 178.79 1ktm h LEU 990 N 0.32 -0.61 -0.79 5.20 6.46 -1.38 0.71 115.31 125.23 1ktm h LEU 990 Ca 0.06 0.04 0.18 0.00 -0.12 0.00 0.00 57.88 58.04 1ktm h LEU 990 Cb 0.54 0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 40.52 1ktm h LEU 990 CO 0.04 -0.34 -0.02 0.25 -0.62 0.00 0.00 178.44 177.75 1ktm h LEU 991 N -0.53 -0.42 0.51 2.25 5.85 -1.49 0.99 115.31 122.48 1ktm h LEU 991 Ca -0.04 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ktm h LEU 991 Cb 0.43 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1ktm h LEU 991 CO 0.02 -0.21 -0.40 -1.13 -0.34 0.00 0.00 178.44 176.37 1ktm h ASN 992 N 0.08 -1.07 -0.60 1.25 -1.24 -1.08 0.13 115.58 113.05 1ktm h ASN 992 Ca 0.43 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.58 1ktm h ASN 992 Cb 0.77 0.34 -0.07 0.00 0.73 0.00 0.00 38.32 40.09 1ktm h ASN 992 CO -0.72 -0.59 -0.36 -0.24 -1.29 0.00 0.00 177.43 174.24 1ktm n SER 993 N -5.52 -0.64 0.04 1.15 2.88 0.25 0.19 113.62 111.97 1ktm n SER 993 Ca -0.12 1.46 -0.13 0.00 -1.33 0.00 0.00 58.87 58.76 1ktm n SER 993 Cb 0.41 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.20 -0.53 -3.46 5.19 -1.10 -1.32 116.42 114.00 1ktm h ASP 994 Ca 0.10 0.15 0.10 0.00 -0.62 0.00 0.00 57.03 56.76 1ktm h ASP 994 Cb 0.25 0.48 -0.11 0.00 0.18 0.00 0.00 39.33 40.13 1ktm h ASP 994 CO -0.57 -0.43 -0.32 0.25 -3.12 0.00 0.00 179.24 175.05 1ktm h LEU 995 N -0.53 -1.10 -1.35 1.55 6.46 0.16 0.97 115.31 121.47 1ktm h LEU 995 Ca 0.06 0.21 0.31 0.00 -0.12 0.00 0.00 57.88 58.34 1ktm h LEU 995 Cb 0.62 0.54 -0.11 0.00 -0.73 0.00 0.00 40.66 40.99 1ktm h LEU 995 CO -0.33 -0.30 0.71 0.00 -0.62 0.00 0.00 178.44 177.89 1ktm h ALA 996 N 0.94 2.33 -0.01 1.25 0.00 0.30 1.85 119.26 125.92 1ktm h ALA 996 Ca 0.21 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1ktm h ALA 996 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ktm h ALA 996 CO -0.63 -0.80 -0.71 1.49 0.00 0.00 0.00 179.25 178.60 1ktm h GLU 997 N 0.32 0.08 -0.04 0.00 4.57 0.19 -2.94 114.58 116.75 1ktm h GLU 997 Ca 0.66 -0.07 -0.26 0.00 -1.18 0.00 0.00 59.36 58.51 1ktm h GLU 997 Cb 1.77 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 30.39 1ktm h GLU 997 CO -0.35 0.75 -0.97 1.25 -1.18 0.00 0.00 179.01 178.52 1ktm h LEU 998 N 0.05 0.93 -0.61 1.64 6.46 0.48 -2.60 115.31 121.66 1ktm h LEU 998 Ca -0.01 -0.71 0.09 0.00 -0.12 0.00 0.00 57.88 57.13 1ktm h LEU 998 Cb 1.25 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.83 1ktm h LEU 998 CO 0.10 1.51 0.25 0.40 -0.62 0.00 0.00 178.44 180.07 1ktm h ILE 999 N 0.44 0.79 0.52 4.05 1.08 0.55 -0.44 117.51 124.51 1ktm h ILE 999 Ca -0.11 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.18 1ktm h ILE 999 Cb 1.62 0.32 0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1ktm h ILE 999 CO 0.19 0.08 -0.25 -1.13 -0.69 0.00 0.00 178.15 176.35 1ktm h ASN 1000N 0.44 -0.59 -0.92 1.72 -1.24 -1.52 -1.11 115.58 112.36 1ktm h ASN 1000Ca 0.31 -0.02 0.24 0.00 0.71 0.00 0.00 56.30 57.54 1ktm h ASN 1000Cb 0.36 0.15 -0.16 0.00 0.73 0.00 0.00 38.32 39.40 1ktm h ASN 1000CO -0.29 -0.35 0.07 0.11 -1.29 0.00 0.00 177.43 175.68 1ktm h LYS 1001N -0.80 0.07 -0.48 6.67 1.79 -0.99 1.57 116.57 124.39 1ktm h LYS 1001Ca -0.07 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1ktm h LYS 1001Cb 0.58 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1ktm h LYS 1001CO 0.12 0.04 0.05 1.98 -1.08 0.00 0.00 179.45 180.56 1ktm h MET 1002N 0.07 0.77 0.00 3.15 4.05 -0.76 -0.02 114.93 122.18 1ktm h MET 1002Ca 0.55 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 1ktm h MET 1002Cb 1.11 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1ktm h MET 1002CO -0.81 0.74 -0.04 0.87 0.23 0.00 0.00 176.91 177.90 1ktm h LYS 1003N 0.73 0.00 0.06 0.39 1.57 0.35 -1.58 116.57 118.09 1ktm h LYS 1003Ca 0.15 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 1ktm h LYS 1003Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1ktm h LYS 1003CO 0.01 0.04 -1.21 -0.07 -0.57 0.00 0.00 179.45 177.65 1ktm h LEU 1004N 0.00 0.21 -1.53 2.94 3.38 0.23 -3.30 115.31 117.24 1ktm h LEU 1004Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1ktm h LEU 1004Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ktm h LEU 1004CO 0.01 1.51 0.02 0.00 0.09 0.00 0.00 178.44 180.06 1ktm h ALA 1005N -0.18 1.01 -0.05 1.53 0.00 -0.64 0.92 119.26 121.85 1ktm h ALA 1005Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1ktm h ALA 1005Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ktm h ALA 1005CO -0.04 -0.01 -0.62 0.37 0.00 0.00 0.00 179.25 178.96 1ktm h GLN 1006N 0.00 0.17 0.00 0.00 -0.00 -1.37 -2.23 115.11 111.68 1ktm h GLN 1006Ca 0.00 -0.12 -0.07 0.00 -0.00 0.00 0.00 58.65 58.46 1ktm h GLN 1006Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 1ktm h GLN 1006CO 0.00 0.73 -1.70 0.94 0.00 0.00 0.00 178.83 178.80 1ktm n GLN 1007N -3.85 0.89 -0.05 1.69 0.00 0.56 -4.35 117.38 112.28 1ktm n GLN 1007Ca -0.02 -0.09 0.10 0.00 -0.00 0.00 0.00 57.00 56.99 1ktm n GLN 1007Cb 0.62 -1.33 0.46 0.00 0.00 0.00 0.00 30.24 29.99 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 -2.13 0.12 0.14 3.69 4.01 0.29 -3.61 117.16 119.67 1ktm n TYR 1008Ca -0.08 -0.06 -0.25 0.00 -0.16 0.00 0.00 57.90 57.35 1ktm n TYR 1008Cb 0.53 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.40 1ktm n TYR 1008CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ktm h VAL 1009N 1.37 1.30 0.00 -0.72 3.04 -1.59 -1.30 116.25 118.35 1ktm h VAL 1009Ca 0.00 -2.68 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 1ktm h VAL 1009Cb 0.30 3.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.64 1ktm h VAL 1009CO 0.00 0.80 0.43 0.00 -1.01 0.00 0.00 177.57 177.79 1ktm h MET 1010N 0.10 0.00 0.00 4.17 -0.00 -1.84 -3.41 114.93 113.95 1ktm h MET 1010Ca -0.25 0.00 -0.45 0.00 -0.00 0.00 0.00 59.70 59.00 1ktm h MET 1010Cb 2.13 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 33.66 1ktm h MET 1010CO 0.27 0.00 -0.28 -2.37 -0.00 0.00 0.00 176.91 174.53 1ktm n THR 1011N -2.79 0.00 0.27 -0.10 5.66 -1.21 -5.01 114.28 111.11 1ktm n THR 1011Ca -0.02 -1.67 0.04 0.00 -3.05 0.00 0.00 64.05 59.36 1ktm n THR 1011Cb 0.46 0.10 0.19 0.00 -1.55 0.00 0.00 70.33 69.53 1ktm n THR 1011CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ktm n SER 1012N -1.55 2.96 0.08 1.09 2.88 -1.26 -3.80 113.62 114.02 1ktm n SER 1012Ca -0.09 -2.34 -0.13 0.00 -1.33 0.00 0.00 58.87 54.98 1ktm n SER 1012Cb 0.46 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 63.28 1ktm n SER 1012CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ktm h LEU 1013N 1.96 0.28 -0.26 2.46 7.12 -1.88 -3.37 115.31 121.62 1ktm h LEU 1013Ca 0.00 -0.31 0.02 0.00 0.13 0.00 0.00 57.88 57.72 1ktm h LEU 1013Cb 1.04 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 1ktm h LEU 1013CO 0.18 1.25 -0.15 0.00 -0.13 0.00 0.00 178.44 179.59 1ktm n GLN 1014N -3.45 -0.11 -0.28 1.25 10.64 -0.49 0.20 117.38 125.13 1ktm n GLN 1014Ca -0.07 0.96 0.25 0.00 -1.83 0.00 0.00 57.00 56.31 1ktm n GLN 1014Cb 1.00 -1.42 0.45 0.00 -0.86 0.00 0.00 30.24 29.41 1ktm n GLN 1014CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ktm n GLN 1015N -3.51 -0.03 0.09 2.61 10.64 -1.26 0.11 117.38 126.02 1ktm n GLN 1015Ca 0.01 0.94 -0.04 0.00 -1.83 0.00 0.00 57.00 56.08 1ktm n GLN 1015Cb 0.07 -1.76 -0.02 0.00 -0.86 0.00 0.00 30.24 27.67 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 -0.23 0.00 2.61 4.57 0.20 -2.84 114.58 118.90 1ktm h GLU 1016Ca 0.61 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 1ktm h GLU 1016Cb 1.79 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.43 1ktm h GLU 1016CO -0.44 -0.15 0.25 1.88 -1.18 0.00 0.00 179.01 179.36 1ktm h TYR 1017N -0.35 0.00 -0.07 0.92 0.05 0.41 0.20 116.97 118.13 1ktm h TYR 1017Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1ktm h TYR 1017Cb 0.18 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 1ktm h TYR 1017CO 0.10 0.00 -0.01 0.87 -1.05 0.00 0.00 178.16 178.07 1ktm h LYS 1018N 0.00 0.13 0.00 4.88 6.56 0.84 -1.49 116.57 127.49 1ktm h LYS 1018Ca 0.00 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1ktm h LYS 1018Cb 0.49 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1ktm h LYS 1018CO 0.00 0.42 -0.10 0.87 -2.06 0.00 0.00 179.45 178.58 1ktm h LYS 1019N -0.18 0.00 0.53 3.15 1.79 -0.72 -2.63 116.57 118.51 1ktm h LYS 1019Ca 0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1ktm h LYS 1019Cb 0.37 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1ktm h LYS 1019CO 0.00 0.10 -0.25 1.96 -1.08 0.00 0.00 179.45 180.18 1ktm h GLN 1020N 0.00 -0.69 -0.33 3.15 1.08 -1.14 -2.66 115.11 114.52 1ktm h GLN 1020Ca -0.00 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 1ktm h GLN 1020Cb 0.25 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ktm h GLN 1020CO 0.01 -0.41 0.46 0.00 -0.95 0.00 0.00 178.83 177.94 1ktm h MET 1021N -1.13 0.00 -0.13 1.46 -0.00 -1.07 0.27 114.93 114.32 1ktm h MET 1021Ca -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.55 1ktm h MET 1021Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1ktm h MET 1021CO 0.12 0.00 -0.24 1.25 -0.00 0.00 0.00 176.91 178.04 1ktm h LEU 1022N 0.00 0.43 -0.78 -0.10 6.46 -1.32 0.17 115.31 120.18 1ktm h LEU 1022Ca 0.16 -0.55 0.17 0.00 -0.12 0.00 0.00 57.88 57.54 1ktm h LEU 1022Cb 1.07 -0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.77 1ktm h LEU 1022CO -0.00 0.90 0.25 0.74 -0.62 0.00 0.00 178.44 179.71 1ktm h THR 1023N -0.02 0.54 -0.00 1.05 2.02 -0.12 1.31 112.91 117.70 1ktm h THR 1023Ca 0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1ktm h THR 1023Cb 0.82 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ktm h THR 1023CO 0.05 0.06 -0.29 0.00 0.37 0.00 0.00 175.52 175.71 1ktm h ALA 1024N 1.61 0.04 -0.48 6.16 0.00 -1.48 -2.50 119.26 122.61 1ktm h ALA 1024Ca 0.44 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1ktm h ALA 1024Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ktm h ALA 1024CO -0.49 0.12 0.35 0.00 0.00 0.00 0.00 179.25 179.23 1ktm h ALA 1025N 0.27 2.45 0.25 0.00 0.00 0.54 1.74 119.26 124.51 1ktm h ALA 1025Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ktm h ALA 1025Cb 1.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ktm h ALA 1025CO 0.06 -0.60 -0.12 1.25 0.00 0.00 0.00 179.25 179.84 1ktm h HIS 1026N 0.00 -0.31 -0.41 0.00 2.76 0.17 -2.37 115.15 114.98 1ktm h HIS 1026Ca 0.23 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1ktm h HIS 1026Cb 0.92 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 1ktm h HIS 1026CO 0.00 0.04 0.06 0.00 -1.30 0.00 0.00 177.93 176.73 1ktm h ALA 1027N -0.53 1.33 0.22 5.26 0.00 -0.82 -3.00 119.26 121.71 1ktm h ALA 1027Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ktm h ALA 1027Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ktm h ALA 1027CO 0.06 0.47 -0.24 -0.07 0.00 0.00 0.00 179.25 179.47 1ktm h LEU 1028N 0.61 -0.66 -0.95 0.00 3.38 0.26 1.59 115.31 119.54 1ktm h LEU 1028Ca 0.13 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1ktm h LEU 1028Cb 0.30 0.22 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 1ktm h LEU 1028CO 0.00 -0.31 0.13 0.00 0.09 0.00 0.00 178.44 178.36 1ktm n ALA 1029N -2.53 0.59 0.08 1.53 0.00 -0.89 0.90 120.51 120.19 1ktm n ALA 1029Ca -0.05 1.01 -0.12 0.00 0.00 0.00 0.00 53.44 54.27 1ktm n ALA 1029Cb 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 0.94 -0.68 0.00 2.07 -1.20 -2.62 116.25 114.77 1ktm h VAL 1030Ca 0.62 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1ktm h VAL 1030Cb 1.39 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1ktm h VAL 1030CO -0.86 0.19 -0.45 0.44 0.02 0.00 0.00 177.57 176.92 1ktm h ASP 1031N -0.68 -1.62 -1.00 0.57 3.32 0.90 1.72 116.42 119.62 1ktm h ASP 1031Ca -0.02 0.24 0.24 0.00 0.02 0.00 0.00 57.03 57.51 1ktm h ASP 1031Cb 0.49 0.71 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1ktm h ASP 1031CO 0.04 -0.20 0.65 0.00 -1.72 0.00 0.00 179.24 178.00 1ktm h ALA 1032N 0.05 2.18 -0.31 3.45 0.00 -0.86 0.44 119.26 124.22 1ktm h ALA 1032Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ktm h ALA 1032Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 1032CO -0.67 -0.55 0.13 -0.22 0.00 0.00 0.00 179.25 177.94 1ktm h LYS 1033N 0.43 0.46 -1.01 0.00 1.63 0.27 -2.31 116.57 116.04 1ktm h LYS 1033Ca 0.56 -0.08 0.09 0.00 -0.85 0.00 0.00 60.65 60.37 1ktm h LYS 1033Cb 1.37 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 32.84 1ktm h LYS 1033CO -0.27 0.46 0.64 -0.97 -3.45 0.00 0.00 179.45 175.87 1ktm h ASN 1034N 0.35 0.99 -0.18 4.20 -0.73 0.43 1.59 115.58 122.23 1ktm h ASN 1034Ca 0.10 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.35 1ktm h ASN 1034Cb 0.17 -0.18 -0.07 0.00 0.27 0.00 0.00 38.32 38.52 1ktm h ASN 1034CO -0.01 0.58 -0.45 0.25 -0.37 0.00 0.00 177.43 177.42 1ktm h LEU 1035N 1.09 -1.44 -0.21 0.34 6.46 -0.68 0.35 115.31 121.22 1ktm h LEU 1035Ca 0.47 0.19 -0.21 0.00 -0.12 0.00 0.00 57.88 58.20 1ktm h LEU 1035Cb 0.33 0.59 0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1ktm h LEU 1035CO -0.22 -0.43 -0.75 0.25 -0.62 0.00 0.00 178.44 176.67 1ktm h LEU 1036N -0.49 0.89 -0.67 2.25 5.85 -1.22 -2.96 115.31 118.96 1ktm h LEU 1036Ca 0.07 -0.57 0.13 0.00 0.84 0.00 0.00 57.88 58.36 1ktm h LEU 1036Cb 0.64 -0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 1ktm h LEU 1036CO -0.44 1.36 -0.24 -0.78 -0.34 0.00 0.00 178.44 178.01 1ktm h ASP 1037N 0.52 -0.85 -0.29 1.25 3.58 0.31 1.19 116.42 122.13 1ktm h ASP 1037Ca -0.04 0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1ktm h ASP 1037Cb 1.36 0.50 -0.02 0.00 1.72 0.00 0.00 39.33 42.89 1ktm h ASP 1037CO 0.15 -0.26 0.06 1.62 -2.88 0.00 0.00 179.24 177.93 1ktm h VAL 1038N -0.06 1.19 0.01 2.25 3.04 -0.33 -2.48 116.25 119.87 1ktm h VAL 1038Ca 0.30 -0.69 -0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1ktm h VAL 1038Cb 0.53 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1ktm h VAL 1038CO -0.72 0.25 -0.00 0.40 -1.01 0.00 0.00 177.57 176.48 1ktm h ILE 1039N 0.55 1.11 -0.73 3.17 2.04 0.12 -1.68 117.51 122.10 1ktm h ILE 1039Ca 0.12 -0.37 0.16 0.00 1.00 0.00 0.00 64.86 65.77 1ktm h ILE 1039Cb 0.26 1.36 -0.11 0.00 -0.74 0.00 0.00 36.82 37.59 1ktm h ILE 1039CO 0.00 0.10 0.18 -0.78 0.00 0.00 0.00 178.15 177.64 1ktm h ASP 1040N -0.17 0.01 0.52 1.72 1.82 0.93 1.50 116.42 122.75 1ktm h ASP 1040Ca -0.00 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1ktm h ASP 1040Cb 0.17 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 1ktm h ASP 1040CO 0.00 -0.03 -0.04 0.06 -1.61 0.00 0.00 179.24 177.62 1ktm h GLN 1041N 0.27 0.00 0.00 0.28 -0.00 -1.11 -2.49 115.11 112.05 1ktm h GLN 1041Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 59.03 1ktm h GLN 1041Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.17 1ktm h GLN 1041CO -0.50 0.04 -0.27 0.00 -0.00 0.00 0.00 178.83 178.11 1ktm h ALA 1042N 1.96 0.03 -0.96 0.06 0.00 0.27 -2.67 119.26 117.94 1ktm h ALA 1042Ca -0.00 -0.37 0.30 0.00 0.00 0.00 0.00 54.91 54.85 1ktm h ALA 1042Cb 0.31 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 1ktm h ALA 1042CO 0.01 0.20 0.36 -0.09 0.00 0.00 0.00 179.25 179.72 1ktm h ARG 1043N -1.00 0.16 -0.15 0.00 2.43 0.48 1.56 114.38 117.86 1ktm h ARG 1043Ca -0.04 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1ktm h ARG 1043Cb 0.48 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ktm h ARG 1043CO -0.02 0.11 -0.63 1.37 -1.51 0.00 0.00 179.97 179.28 1ktm h LEU 1044N 0.16 0.64 -1.96 3.80 8.10 -1.58 -2.63 115.31 121.84 1ktm h LEU 1044Ca 0.67 -0.38 0.02 0.00 0.11 0.00 0.00 57.88 58.30 1ktm h LEU 1044Cb 1.52 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 41.56 1ktm h LEU 1044CO -0.71 1.11 0.36 0.50 -4.11 0.00 0.00 178.44 175.59 1ktm h LYS 1045N 0.41 0.00 0.14 0.17 3.11 0.26 0.36 116.57 121.02 1ktm h LYS 1045Ca -0.01 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.47 1ktm h LYS 1045Cb 1.20 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 1ktm h LYS 1045CO 0.12 0.00 -1.93 0.00 -2.81 0.00 0.00 179.45 174.83 1ktm h MET 1046N 0.00 0.29 0.47 1.90 -0.00 -1.00 -2.90 114.93 113.69 1ktm h MET 1046Ca 0.03 -0.50 -0.02 0.00 -0.00 0.00 0.00 59.70 59.20 1ktm h MET 1046Cb 0.75 0.19 0.00 0.00 -0.00 0.00 0.00 31.60 32.54 1ktm h MET 1046CO -0.00 1.22 -0.23 0.82 -0.00 0.00 0.00 176.91 178.73 1ktm h ILE 1047N 0.08 0.37 0.30 -0.10 2.04 -0.35 -3.35 117.51 116.50 1ktm h ILE 1047Ca -0.40 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1ktm h ILE 1047Cb 2.05 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1ktm h ILE 1047CO 0.11 0.06 -0.16 -1.28 0.00 0.00 0.00 178.15 176.89 1ktm h SER 1048N -0.99 -0.38 -1.10 1.72 0.87 -0.74 -3.35 113.55 109.58 1ktm h SER 1048Ca -0.06 0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.24 1ktm h SER 1048Cb 0.58 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ktm h SER 1048CO 0.11 -0.26 0.95 -1.58 -0.53 0.00 0.00 176.83 175.52 1ktm s GLN 1049N -3.95 1.92 0.05 2.24 2.00 -1.10 -4.19 119.66 116.63 1ktm s GLN 1049Ca -0.06 0.96 0.00 0.00 -2.00 0.00 0.00 55.36 54.26 1ktm s GLN 1049Cb 0.01 -4.67 0.00 0.00 0.80 0.00 0.00 33.01 29.15 1ktm s GLN 1049CO 0.19 -3.74 0.00 0.45 -0.50 0.00 0.00 175.29 171.69 1ktm n SER 1050N 16.88 -4.25 -4.16 6.67 2.88 -1.26 -4.63 113.62 125.76 1ktm n SER 1050Ca 0.40 0.47 -0.38 0.00 -1.33 0.00 0.00 58.87 58.04 1ktm n SER 1050Cb 0.50 -2.30 -0.11 0.00 -0.75 0.00 0.00 64.21 61.55 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 -2.10 2.18 0.12 -1.46 6.06 -1.26 -4.52 118.95 117.98 1ktm s ARG 1051Ca 0.00 -1.76 -0.08 0.00 -2.50 0.00 0.00 55.73 51.39 1ktm s ARG 1051Cb 0.00 -3.67 -0.11 0.00 0.06 0.00 0.00 34.95 31.23 1ktm s ARG 1051CO 0.00 -1.08 1.30 -1.00 -2.50 0.00 0.00 175.30 172.02 1ktm h PRO 1052N 8.18 0.55 0.00 5.12 0.13 -1.90 -3.53 132.00 140.55 1ktm h PRO 1052Ca -0.16 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1ktm h PRO 1052Cb 1.06 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ktm h PRO 1052CO 0.74 1.17 0.00 1.58 -0.23 0.00 0.00 178.00 181.25