#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 -4.28 -1.33 3.17 0.00 -1.26 -4.45 120.51 112.36 1ktm n ALA 916 Ca 0.00 -0.61 -0.54 0.00 0.00 0.00 0.00 53.44 52.29 1ktm n ALA 916 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 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 1.77 0.69 -3.19 0.00 3.02 -1.26 -4.79 115.26 111.49 1ktm n ASN 917 Ca 0.02 0.53 -0.33 0.00 -0.03 0.00 0.00 54.58 54.77 1ktm n ASN 917 Cb 0.54 -0.92 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1ktm n ASN 917 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ktm n LEU 918 N 8.45 5.65 0.00 3.41 0.00 -1.26 -4.45 117.00 128.79 1ktm n LEU 918 Ca 0.57 -5.55 -0.14 0.00 0.00 0.00 0.00 56.01 50.90 1ktm n LEU 918 Cb -0.01 -0.80 0.13 0.00 0.00 0.00 0.00 43.42 42.75 1ktm n LEU 918 CO 0.89 2.23 0.16 0.47 0.00 0.00 0.00 177.39 181.14 1ktm n ASP 919 N -0.19 -2.86 -1.82 1.96 9.92 -1.26 -4.80 116.55 117.50 1ktm n ASP 919 Ca 0.38 -0.40 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 1ktm n ASP 919 Cb 0.35 -0.50 0.04 0.00 -0.64 0.00 0.00 41.12 40.36 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 -3.14 1.70 0.10 -1.24 1.74 -1.26 -4.09 116.66 110.46 1ktm n ARG 920 Ca 0.06 -1.39 0.12 0.00 -0.77 0.00 0.00 57.85 55.88 1ktm n ARG 920 Cb 0.27 -1.54 0.18 0.00 -1.02 0.00 0.00 32.46 30.35 1ktm n ARG 920 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ktm h SER 921 N 1.33 0.00 -0.29 0.55 0.87 -1.91 -3.14 113.55 110.96 1ktm h SER 921 Ca 0.26 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1ktm h SER 921 Cb 1.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1ktm h SER 921 CO 0.66 0.06 0.09 -1.13 -0.53 0.00 0.00 176.83 175.98 1ktm h ASN 922 N 0.00 0.09 0.12 6.23 -1.24 -1.93 0.47 115.58 119.31 1ktm h ASN 922 Ca 0.00 0.03 -0.29 0.00 0.71 0.00 0.00 56.30 56.75 1ktm h ASN 922 Cb 0.82 0.03 0.03 0.00 0.73 0.00 0.00 38.32 39.93 1ktm h ASN 922 CO 0.00 0.09 -1.21 0.44 -1.29 0.00 0.00 177.43 175.46 1ktm h ASP 923 N 0.21 0.88 0.00 1.15 5.19 -1.92 -2.70 116.42 119.24 1ktm h ASP 923 Ca 0.13 -0.79 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 1ktm h ASP 923 Cb 0.11 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1ktm h ASP 923 CO -0.14 1.59 0.00 1.17 -3.12 0.00 0.00 179.24 178.74 1ktm n LYS 924 N -3.80 0.00 -0.25 3.56 4.81 -1.00 0.17 118.16 121.66 1ktm n LYS 924 Ca -0.13 0.54 -0.03 0.00 -0.87 0.00 0.00 58.31 57.82 1ktm n LYS 924 Cb 0.97 -1.42 0.03 0.00 0.02 0.00 0.00 35.03 34.63 1ktm n LYS 924 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ktm h VAL 925 N 0.00 0.14 -0.35 3.15 2.07 -0.23 1.47 116.25 122.50 1ktm h VAL 925 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1ktm h VAL 925 Cb 0.00 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 1ktm h VAL 925 CO 0.00 0.00 -0.08 1.88 0.02 0.00 0.00 177.57 179.39 1ktm h TYR 926 N -0.10 -0.18 0.51 1.57 -1.99 -1.30 0.70 116.97 116.18 1ktm h TYR 926 Ca 0.28 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 61.02 1ktm h TYR 926 Cb 0.56 0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.43 1ktm h TYR 926 CO -0.68 -0.15 -0.24 0.93 -0.00 0.00 0.00 178.16 178.02 1ktm h GLU 927 N 0.00 -0.66 -0.94 4.88 3.07 0.50 -2.54 114.58 118.89 1ktm h GLU 927 Ca 0.17 0.04 0.38 0.00 -0.50 0.00 0.00 59.36 59.45 1ktm h GLU 927 Cb 0.26 0.15 -0.17 0.00 -0.84 0.00 0.00 28.75 28.14 1ktm h GLU 927 CO -0.36 -0.44 0.46 0.09 -1.40 0.00 0.00 179.01 177.36 1ktm n ASN 928 N -4.37 0.28 0.17 1.42 4.13 0.47 0.07 115.26 117.43 1ktm n ASN 928 Ca -0.08 1.57 -0.07 0.00 1.68 0.00 0.00 54.58 57.67 1ktm n ASN 928 Cb 0.27 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.73 1ktm n ASN 928 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1ktm h VAL 929 N 0.00 0.00 -0.62 2.41 2.07 -0.71 0.13 116.25 119.52 1ktm h VAL 929 Ca 0.77 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.40 1ktm h VAL 929 Cb 2.02 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.67 1ktm h VAL 929 CO -0.74 0.00 -0.37 0.71 0.02 0.00 0.00 177.57 177.19 1ktm h THR 930 N -0.46 0.13 -0.72 2.57 1.35 0.07 0.92 112.91 116.77 1ktm h THR 930 Ca -0.04 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.99 1ktm h THR 930 Cb 0.36 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 66.87 1ktm h THR 930 CO 0.05 0.00 0.49 1.23 -0.25 0.00 0.00 175.52 177.05 1ktm h GLY 931 N -0.17 0.46 0.18 5.82 0.00 -0.79 2.38 103.07 110.94 1ktm h GLY 931 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ktm h GLY 931 CO -0.71 0.03 -0.09 -2.00 0.00 0.00 0.00 176.54 173.78 1ktm h LEU 932 N 0.26 -0.20 0.01 3.11 5.85 0.34 -2.86 115.31 121.81 1ktm h LEU 932 Ca 0.35 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.10 1ktm h LEU 932 Cb 1.02 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1ktm h LEU 932 CO -0.08 0.09 -0.12 -0.37 -0.34 0.00 0.00 178.44 177.62 1ktm h VAL 933 N -0.72 0.70 -0.94 1.05 -1.51 0.27 0.44 116.25 115.55 1ktm h VAL 933 Ca -0.02 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.72 1ktm h VAL 933 Cb 0.18 0.70 -0.16 0.00 -2.13 0.00 0.00 31.29 29.88 1ktm h VAL 933 CO 0.04 0.00 0.23 0.11 -1.23 0.00 0.00 177.57 176.72 1ktm h LYS 934 N -0.21 0.11 0.01 5.19 1.79 0.39 0.33 116.57 124.19 1ktm h LYS 934 Ca 0.04 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1ktm h LYS 934 Cb 0.26 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1ktm h LYS 934 CO -0.12 0.07 -0.01 0.00 -1.08 0.00 0.00 179.45 178.32 1ktm h ALA 935 N 1.88 -0.02 -0.78 3.86 0.00 -1.02 -0.64 119.26 122.54 1ktm h ALA 935 Ca 0.62 -0.32 0.30 0.00 0.00 0.00 0.00 54.91 55.51 1ktm h ALA 935 Cb 1.35 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1ktm h ALA 935 CO -0.76 -0.18 0.32 0.28 0.00 0.00 0.00 179.25 178.91 1ktm n VAL 936 N -4.78 -0.33 -0.01 0.00 0.31 0.15 0.74 118.33 114.40 1ktm n VAL 936 Ca -0.09 1.63 -0.00 0.00 -0.01 0.00 0.00 64.34 65.86 1ktm n VAL 936 Cb 0.32 -2.57 -0.00 0.00 -0.91 0.00 0.00 33.84 30.68 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 -0.52 2.52 2.04 -1.19 -3.35 117.51 117.01 1ktm h ILE 937 Ca 0.62 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 66.40 1ktm h ILE 937 Cb 1.56 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.54 1ktm h ILE 937 CO -0.64 0.00 -0.04 1.21 0.00 0.00 0.00 178.15 178.68 1ktm n GLU 938 N -2.66 -0.04 0.00 2.37 4.07 -0.25 0.05 120.64 124.17 1ktm n GLU 938 Ca -0.01 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 1ktm n GLU 938 Cb 0.03 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1ktm n GLU 938 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1ktm n MET 939 N -4.71 0.00 -0.52 5.31 1.56 0.23 -0.42 117.12 118.56 1ktm n MET 939 Ca 0.11 0.78 0.43 0.00 -0.27 0.00 0.00 57.70 58.75 1ktm n MET 939 Cb 0.35 -1.46 0.70 0.00 2.15 0.00 0.00 33.22 34.96 1ktm n MET 939 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1ktm n SER 940 N -2.50 0.16 0.07 6.12 7.64 0.11 0.21 113.62 125.43 1ktm n SER 940 Ca 0.00 1.28 -0.13 0.00 1.01 0.00 0.00 58.87 61.03 1ktm n SER 940 Cb 0.00 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 1ktm n SER 940 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ktm h SER 941 N 0.00 -0.10 -0.66 6.43 0.87 -0.35 -2.85 113.55 116.89 1ktm h SER 941 Ca 0.88 -0.09 -0.31 0.00 -1.23 0.00 0.00 61.79 61.04 1ktm h SER 941 Cb 3.01 0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 64.81 1ktm h SER 941 CO -0.36 0.03 0.27 2.29 -0.53 0.00 0.00 176.83 178.53 1ktm n LYS 942 N -5.09 2.40 -0.11 2.24 2.85 0.51 -4.44 118.16 116.51 1ktm n LYS 942 Ca -0.08 -3.08 -0.23 0.00 -1.05 0.00 0.00 58.31 53.87 1ktm n LYS 942 Cb 0.12 -2.03 -0.10 0.00 -0.65 0.00 0.00 35.03 32.37 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 -0.93 1.52 -0.22 0.58 0.00 0.57 -2.47 119.36 118.42 1ktm n ILE 943 Ca 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 62.75 63.04 1ktm n ILE 943 Cb 1.34 -2.02 0.05 0.00 0.00 0.00 0.00 39.64 39.01 1ktm n ILE 943 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ktm h GLN 944 N -1.00 -0.06 -0.01 9.51 4.15 -1.77 -2.19 115.11 123.74 1ktm h GLN 944 Ca -0.44 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1ktm h GLN 944 Cb 1.35 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1ktm h GLN 944 CO -0.27 -0.04 -0.15 -1.00 -1.93 0.00 0.00 178.83 175.45 1ktm h PRO 945 N -0.06 0.11 -4.90 -2.39 0.13 -1.84 -3.46 132.00 119.60 1ktm h PRO 945 Ca 0.29 -0.11 -0.66 0.00 -0.87 0.00 0.00 66.00 64.65 1ktm h PRO 945 Cb 0.52 0.03 0.03 0.00 0.13 0.00 0.00 31.00 31.71 1ktm h PRO 945 CO -0.69 0.84 0.15 0.00 -0.23 0.00 0.00 178.00 178.07 1ktm n ALA 946 N -2.50 -2.68 -1.52 -0.56 0.00 -0.83 -4.90 120.51 107.53 1ktm n ALA 946 Ca -0.09 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 1ktm n ALA 946 Cb 0.44 -1.46 0.20 0.00 0.00 0.00 0.00 19.45 18.62 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 0.50 -0.02 0.20 0.00 0.04 -1.26 -4.77 135.00 129.68 1ktm s PRO 947 Ca 0.77 -0.14 0.24 0.00 0.04 0.00 0.00 61.00 61.91 1ktm s PRO 947 Cb -1.07 -1.74 0.90 0.00 0.04 0.00 0.00 34.50 32.63 1ktm s PRO 947 CO 0.51 -2.90 1.74 -0.35 0.04 0.00 0.00 177.00 176.04 1ktm n PRO 948 N -4.17 0.19 0.10 0.56 -0.04 -1.26 -0.22 135.00 130.16 1ktm n PRO 948 Ca 0.13 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1ktm n PRO 948 Cb 0.59 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1ktm n PRO 948 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ktm n GLU 949 N -2.14 0.61 0.00 0.54 2.13 -1.26 -3.04 120.64 117.48 1ktm n GLU 949 Ca 0.04 0.11 0.06 0.00 0.66 0.00 0.00 57.16 58.04 1ktm n GLU 949 Cb 0.32 -1.82 -0.07 0.00 0.27 0.00 0.00 31.44 30.14 1ktm n GLU 949 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ktm n GLU 950 N -2.67 2.65 -0.01 5.31 4.07 -1.03 -4.51 120.64 124.44 1ktm n GLU 950 Ca -0.01 -0.05 -0.21 0.00 -0.06 0.00 0.00 57.16 56.83 1ktm n GLU 950 Cb 0.56 -1.12 -0.14 0.00 -0.06 0.00 0.00 31.44 30.69 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 -1.23 1.18 -0.27 4.31 9.36 0.69 -2.75 117.16 128.46 1ktm n TYR 951 Ca 0.03 0.28 0.02 0.00 3.32 0.00 0.00 57.90 61.55 1ktm n TYR 951 Cb 0.21 -1.15 0.10 0.00 -0.63 0.00 0.00 39.34 37.87 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 -0.07 0.24 0.09 2.97 2.07 -1.77 -1.74 116.25 118.04 1ktm h VAL 952 Ca -0.42 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ktm h VAL 952 Cb 1.94 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1ktm h VAL 952 CO 0.04 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.14 1ktm h PRO 953 N 0.01 -0.12 -0.50 1.57 0.13 -1.81 -3.03 132.00 128.24 1ktm h PRO 953 Ca 0.38 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.62 1ktm h PRO 953 Cb 0.59 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.66 1ktm h PRO 953 CO -0.78 0.39 -0.13 -0.12 -0.23 0.00 0.00 178.00 177.12 1ktm n MET 954 N -4.83 -0.05 0.13 0.86 1.56 -0.79 0.18 117.12 114.17 1ktm n MET 954 Ca -0.07 0.79 -0.12 0.00 -0.27 0.00 0.00 57.70 58.02 1ktm n MET 954 Cb 0.28 -1.17 -0.08 0.00 2.15 0.00 0.00 33.22 34.40 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ktm h VAL 955 N 0.00 0.71 -1.83 1.12 2.07 -1.44 -2.83 116.25 114.05 1ktm h VAL 955 Ca 0.23 -0.76 0.55 0.00 0.82 0.00 0.00 66.70 67.55 1ktm h VAL 955 Cb 0.36 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 1ktm h VAL 955 CO -0.52 0.14 1.29 0.29 0.02 0.00 0.00 177.57 178.79 1ktm n LYS 956 N -5.07 -0.01 0.18 1.57 4.76 0.48 0.98 118.16 121.05 1ktm n LYS 956 Ca -0.09 1.13 -0.11 0.00 -2.87 0.00 0.00 58.31 56.37 1ktm n LYS 956 Cb 0.26 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 30.90 1ktm n LYS 956 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1ktm h GLU 957 N 0.00 -0.49 -0.77 1.97 3.07 -0.53 -2.67 114.58 115.15 1ktm h GLU 957 Ca 0.93 0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.98 1ktm h GLU 957 Cb 3.54 0.11 -0.11 0.00 -0.84 0.00 0.00 28.75 31.46 1ktm h GLU 957 CO -0.13 -0.21 0.27 -0.24 -1.40 0.00 0.00 179.01 177.30 1ktm h VAL 958 N -1.03 0.57 -0.85 3.13 3.04 0.77 0.45 116.25 122.32 1ktm h VAL 958 Ca -0.05 -0.13 0.10 0.00 -1.01 0.00 0.00 66.70 65.62 1ktm h VAL 958 Cb 0.51 0.17 -0.06 0.00 -2.01 0.00 0.00 31.29 29.89 1ktm h VAL 958 CO 0.09 0.07 0.55 1.23 -1.01 0.00 0.00 177.57 178.50 1ktm h GLY 959 N 0.37 1.18 0.65 3.17 0.00 -0.94 -1.25 103.07 106.24 1ktm h GLY 959 Ca 0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ktm h GLY 959 CO -0.47 0.17 -0.04 -2.00 0.00 0.00 0.00 176.54 174.21 1ktm h LEU 960 N 0.79 -0.08 -0.35 3.11 6.46 0.19 -1.47 115.31 123.95 1ktm h LEU 960 Ca 0.40 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1ktm h LEU 960 Cb 0.48 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.35 1ktm h LEU 960 CO -0.17 0.27 -0.42 0.00 -0.62 0.00 0.00 178.44 177.50 1ktm h ALA 961 N 0.44 -0.45 -0.43 1.25 0.00 -0.35 0.81 119.26 120.51 1ktm h ALA 961 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ktm h ALA 961 Cb 0.39 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1ktm h ALA 961 CO 0.02 -0.87 -0.04 -0.07 0.00 0.00 0.00 179.25 178.28 1ktm h LEU 962 N -0.36 -0.27 0.33 0.00 3.38 -1.25 0.95 115.31 118.09 1ktm h LEU 962 Ca 0.13 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ktm h LEU 962 Cb 0.59 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1ktm h LEU 962 CO -0.54 -0.09 -0.39 -0.09 0.09 0.00 0.00 178.44 177.42 1ktm h ARG 963 N 0.06 -0.73 -0.45 1.13 9.65 0.20 -0.21 114.38 124.04 1ktm h ARG 963 Ca 0.21 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.19 1ktm h ARG 963 Cb 0.32 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 1ktm h ARG 963 CO -0.39 -0.48 0.18 1.15 2.80 0.00 0.00 179.97 183.22 1ktm h THR 964 N -0.75 0.89 -0.54 0.20 2.02 0.12 -1.88 112.91 112.96 1ktm h THR 964 Ca -0.02 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.15 1ktm h THR 964 Cb 0.70 0.49 -0.10 0.00 -1.74 0.00 0.00 68.15 67.50 1ktm h THR 964 CO -0.10 0.07 -0.10 0.25 0.37 0.00 0.00 175.52 176.01 1ktm h LEU 965 N 0.36 -0.43 -0.62 2.58 5.85 0.14 0.10 115.31 123.29 1ktm h LEU 965 Ca 0.21 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1ktm h LEU 965 Cb 0.18 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1ktm h LEU 965 CO -0.19 -0.16 -0.49 0.25 -0.34 0.00 0.00 178.44 177.51 1ktm h LEU 966 N 0.03 -1.70 0.02 2.25 6.46 -0.20 0.69 115.31 122.86 1ktm h LEU 966 Ca 0.27 0.26 0.02 0.00 -0.12 0.00 0.00 57.88 58.31 1ktm h LEU 966 Cb 0.41 0.75 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 1ktm h LEU 966 CO -0.53 -0.34 -0.18 0.00 -0.62 0.00 0.00 178.44 176.77 1ktm h ALA 967 N 0.46 -0.24 -0.73 1.25 0.00 -1.02 -1.79 119.26 117.19 1ktm h ALA 967 Ca 0.16 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.23 1ktm h ALA 967 Cb 0.55 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1ktm h ALA 967 CO -0.72 -0.68 0.03 1.15 0.00 0.00 0.00 179.25 179.03 1ktm h THR 968 N -0.31 0.39 -0.90 0.00 2.02 0.14 0.77 112.91 115.02 1ktm h THR 968 Ca 0.05 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1ktm h THR 968 Cb 0.37 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 1ktm h THR 968 CO -0.16 0.02 0.58 0.58 0.37 0.00 0.00 175.52 176.91 1ktm h VAL 969 N 0.13 0.96 -0.76 3.16 2.07 0.11 -0.30 116.25 121.61 1ktm h VAL 969 Ca 0.40 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 67.79 1ktm h VAL 969 Cb 0.70 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.36 1ktm h VAL 969 CO -0.62 0.16 0.18 -0.78 0.02 0.00 0.00 177.57 176.53 1ktm h ASP 970 N 0.88 0.00 0.78 0.57 3.58 0.13 1.62 116.42 123.98 1ktm h ASP 970 Ca 0.42 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 58.00 1ktm h ASP 970 Cb 0.43 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1ktm h ASP 970 CO -0.18 -0.06 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.67 1ktm h GLU 971 N 0.26 0.00 0.00 0.28 5.08 -0.90 -2.30 114.58 117.00 1ktm h GLU 971 Ca 0.44 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.63 1ktm h GLU 971 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1ktm h GLU 971 CO -0.54 0.12 -1.12 0.77 -1.00 0.00 0.00 179.01 177.24 1ktm h SER 972 N 0.00 0.00 -0.94 1.42 0.02 0.21 -3.29 113.55 110.97 1ktm h SER 972 Ca -0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.12 1ktm h SER 972 Cb 0.55 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.91 1ktm h SER 972 CO 0.02 0.66 -0.28 0.25 -1.14 0.00 0.00 176.83 176.33 1ktm h LEU 973 N 0.00 -1.04 -0.22 5.07 6.46 0.20 0.53 115.31 126.31 1ktm h LEU 973 Ca -0.11 0.29 -0.22 0.00 -0.12 0.00 0.00 57.88 57.72 1ktm h LEU 973 Cb 1.60 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 42.16 1ktm h LEU 973 CO 0.07 -0.31 -0.88 1.55 -0.62 0.00 0.00 178.44 178.26 1ktm h PRO 974 N -0.01 0.49 -1.13 5.25 0.13 -1.70 -3.12 132.00 131.91 1ktm h PRO 974 Ca 0.41 -0.47 0.31 0.00 -0.87 0.00 0.00 66.00 65.39 1ktm h PRO 974 Cb 0.66 0.12 -0.08 0.00 0.13 0.00 0.00 31.00 31.83 1ktm h PRO 974 CO -0.96 1.11 0.76 0.28 -0.23 0.00 0.00 178.00 178.96 1ktm h VAL 975 N 0.30 0.44 -2.18 1.56 2.07 -0.09 -3.40 116.25 114.96 1ktm h VAL 975 Ca -0.07 -0.07 -0.54 0.00 0.82 0.00 0.00 66.70 66.85 1ktm h VAL 975 Cb 1.50 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1ktm h VAL 975 CO 0.16 0.04 -0.59 -0.76 0.02 0.00 0.00 177.57 176.43 1ktm s LEU 976 N -9.09 3.43 0.74 2.57 2.01 -0.17 -4.96 118.68 113.21 1ktm s LEU 976 Ca -0.07 -0.51 -0.11 0.00 0.01 0.00 0.00 54.13 53.45 1ktm s LEU 976 Cb 0.25 -1.95 0.04 0.00 0.01 0.00 0.00 46.19 44.53 1ktm s LEU 976 CO 0.80 -0.03 1.08 -2.16 1.01 0.00 0.00 176.35 177.05 1ktm s PRO 977 N -3.75 2.55 0.55 1.29 0.04 -1.26 -4.80 135.00 129.61 1ktm s PRO 977 Ca 0.32 0.81 0.46 0.00 0.04 0.00 0.00 61.00 62.63 1ktm s PRO 977 Cb -0.07 -1.96 1.57 0.00 0.04 0.00 0.00 34.50 34.09 1ktm s PRO 977 CO 0.22 -1.34 1.48 0.00 0.04 0.00 0.00 177.00 177.40 1ktm n ALA 978 N -3.27 1.72 0.14 8.56 0.00 -1.26 0.21 120.51 126.62 1ktm n ALA 978 Ca 0.07 0.59 0.17 0.00 0.00 0.00 0.00 53.44 54.27 1ktm n ALA 978 Cb 0.55 -1.03 0.57 0.00 0.00 0.00 0.00 19.45 19.53 1ktm n ALA 978 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ktm h SER 979 N 0.00 0.00 -0.94 0.00 0.02 -1.94 1.69 113.55 112.38 1ktm h SER 979 Ca 0.85 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 61.30 1ktm h SER 979 Cb 3.57 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 65.82 1ktm h SER 979 CO -0.01 0.00 0.64 0.35 -1.14 0.00 0.00 176.83 176.67 1ktm n THR 980 N -3.15 3.12 0.00 -2.27 -2.24 0.57 -4.38 114.28 105.92 1ktm n THR 980 Ca 0.07 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1ktm n THR 980 Cb 0.81 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1ktm n THR 980 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ktm n HIS 981 N -1.03 0.00 -0.34 4.78 8.25 0.58 -3.77 115.22 123.68 1ktm n HIS 981 Ca 0.57 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 58.11 1ktm n HIS 981 Cb 1.53 0.00 0.28 0.00 1.12 0.00 0.00 29.99 32.92 1ktm n HIS 981 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ktm h ARG 982 N 0.00 0.88 -0.80 -0.41 -0.00 -1.84 0.14 114.38 112.35 1ktm h ARG 982 Ca 0.00 -0.05 0.10 0.00 -0.50 0.00 0.00 59.98 59.52 1ktm h ARG 982 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 29.97 29.70 1ktm h ARG 982 CO 0.00 0.59 0.44 0.93 0.00 0.00 0.00 179.97 181.93 1ktm h GLU 983 N 0.91 0.71 -0.07 0.04 5.08 -1.83 0.70 114.58 120.12 1ktm h GLU 983 Ca 0.50 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.61 1ktm h GLU 983 Cb 0.58 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ktm h GLU 983 CO -0.26 0.47 -0.80 0.82 -1.00 0.00 0.00 179.01 178.24 1ktm h ILE 984 N 0.74 1.37 -0.29 3.13 2.04 -1.07 -2.77 117.51 120.65 1ktm h ILE 984 Ca 0.39 -2.20 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 1ktm h ILE 984 Cb 0.38 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1ktm h ILE 984 CO -0.26 0.66 -0.10 -0.33 0.00 0.00 0.00 178.15 178.13 1ktm h GLU 985 N 0.31 0.48 -0.37 2.37 4.39 0.80 0.31 114.58 122.87 1ktm h GLU 985 Ca -0.05 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 1ktm h GLU 985 Cb 1.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 1ktm h GLU 985 CO 0.14 0.58 -0.18 0.52 -1.16 0.00 0.00 179.01 178.92 1ktm h MET 986 N 0.45 0.78 -0.01 2.33 2.86 0.43 -0.37 114.93 121.40 1ktm h MET 986 Ca 0.09 -0.34 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 1ktm h MET 986 Cb 0.45 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1ktm h MET 986 CO 0.02 0.96 -0.73 0.00 1.06 0.00 0.00 176.91 178.22 1ktm h ALA 987 N 0.80 0.76 0.33 6.32 0.00 -1.20 -2.78 119.26 123.49 1ktm h ALA 987 Ca 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1ktm h ALA 987 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ktm h ALA 987 CO 0.05 0.88 -0.16 1.96 0.00 0.00 0.00 179.25 181.99 1ktm h GLN 988 N 0.04 -0.43 -0.84 0.00 4.20 -0.22 -0.23 115.11 117.65 1ktm h GLN 988 Ca -0.01 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.88 1ktm h GLN 988 Cb 1.29 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.11 1ktm h GLN 988 CO 0.10 -0.11 0.55 0.87 -0.67 0.00 0.00 178.83 179.56 1ktm h LYS 989 N -0.76 0.52 0.49 1.46 1.57 -1.11 0.29 116.57 119.03 1ktm h LYS 989 Ca -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1ktm h LYS 989 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ktm h LYS 989 CO 0.07 0.35 -0.23 1.25 -0.57 0.00 0.00 179.45 180.32 1ktm h LEU 990 N 0.54 -0.56 -0.65 2.94 6.46 -1.28 0.75 115.31 123.51 1ktm h LEU 990 Ca 0.42 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.33 1ktm h LEU 990 Cb 0.83 0.14 -0.12 0.00 -0.73 0.00 0.00 40.66 40.79 1ktm h LEU 990 CO -0.17 -0.31 -0.13 0.25 -0.62 0.00 0.00 178.44 177.47 1ktm h LEU 991 N -0.83 -0.54 -0.01 2.25 6.46 -0.44 0.32 115.31 122.52 1ktm h LEU 991 Ca -0.07 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1ktm h LEU 991 Cb 0.50 0.38 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1ktm h LEU 991 CO 0.11 -0.20 0.00 -1.13 -0.62 0.00 0.00 178.44 176.61 1ktm h ASN 992 N 0.02 0.01 -0.01 1.25 -1.24 -0.42 0.51 115.58 115.70 1ktm h ASN 992 Ca 0.32 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.33 1ktm h ASN 992 Cb 0.50 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1ktm h ASN 992 CO -0.65 0.02 -0.32 0.28 -1.29 0.00 0.00 177.43 175.47 1ktm h SER 993 N 0.00 -0.99 -0.65 1.15 0.02 0.32 0.18 113.55 113.59 1ktm h SER 993 Ca 0.00 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1ktm h SER 993 Cb 0.01 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1ktm h SER 993 CO -0.00 -0.31 0.43 0.44 -1.14 0.00 0.00 176.83 176.26 1ktm h ASP 994 N -0.39 0.43 0.33 3.07 5.19 -0.45 -1.77 116.42 122.84 1ktm h ASP 994 Ca 0.01 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ktm h ASP 994 Cb 0.42 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1ktm h ASP 994 CO -0.22 0.26 -0.45 0.25 -3.12 0.00 0.00 179.24 175.97 1ktm h LEU 995 N 0.48 -1.25 -0.06 1.55 5.85 0.21 0.53 115.31 122.61 1ktm h LEU 995 Ca 0.30 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.18 1ktm h LEU 995 Cb 0.54 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1ktm h LEU 995 CO -0.09 -0.57 -0.34 0.00 -0.34 0.00 0.00 178.44 177.10 1ktm h ALA 996 N -0.49 -0.47 -0.92 1.25 0.00 0.10 0.31 119.26 119.03 1ktm h ALA 996 Ca -0.02 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1ktm h ALA 996 Cb 0.76 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1ktm h ALA 996 CO -0.13 -0.84 0.61 1.49 0.00 0.00 0.00 179.25 180.37 1ktm h GLU 997 N -0.46 0.43 0.00 0.00 4.57 -1.02 0.20 114.58 118.30 1ktm h GLU 997 Ca 0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1ktm h GLU 997 Cb 0.57 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ktm h GLU 997 CO -0.32 0.28 -0.00 1.25 -1.18 0.00 0.00 179.01 179.04 1ktm h LEU 998 N 0.44 -0.00 -0.67 1.64 7.12 0.27 0.27 115.31 124.38 1ktm h LEU 998 Ca 0.49 -0.39 0.08 0.00 0.13 0.00 0.00 57.88 58.19 1ktm h LEU 998 Cb 1.17 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.23 1ktm h LEU 998 CO -0.20 0.39 0.33 0.40 -0.13 0.00 0.00 178.44 179.23 1ktm h ILE 999 N -0.40 0.87 0.21 4.05 1.08 0.16 -2.03 117.51 121.45 1ktm h ILE 999 Ca -0.00 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1ktm h ILE 999 Cb 0.40 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1ktm h ILE 999 CO 0.00 0.11 -0.10 -1.13 -0.69 0.00 0.00 178.15 176.34 1ktm h ASN 1000N 0.58 -0.23 -1.30 1.72 -0.73 -0.61 -2.17 115.58 112.83 1ktm h ASN 1000Ca 0.32 -0.16 0.46 0.00 1.87 0.00 0.00 56.30 58.79 1ktm h ASN 1000Cb 0.31 0.06 -0.14 0.00 0.27 0.00 0.00 38.32 38.83 1ktm h ASN 1000CO -0.25 0.03 0.82 1.17 -0.37 0.00 0.00 177.43 178.83 1ktm n LYS 1001N -5.11 -0.04 -0.04 6.67 3.00 0.93 0.14 118.16 123.71 1ktm n LYS 1001Ca -0.09 1.23 -0.14 0.00 -0.00 0.00 0.00 58.31 59.31 1ktm n LYS 1001Cb 0.21 -2.40 -0.11 0.00 0.00 0.00 0.00 35.03 32.73 1ktm n LYS 1001CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1ktm h MET 1002N 0.00 0.01 -0.22 1.64 4.05 -0.97 0.13 114.93 119.58 1ktm h MET 1002Ca 0.85 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 60.32 1ktm h MET 1002Cb 2.69 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.49 1ktm h MET 1002CO -0.48 0.75 0.38 0.87 0.23 0.00 0.00 176.91 178.66 1ktm h LYS 1003N -0.72 0.00 0.02 0.39 1.57 0.19 0.60 116.57 118.62 1ktm h LYS 1003Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1ktm h LYS 1003Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1ktm h LYS 1003CO 0.00 0.00 -1.51 1.28 -0.57 0.00 0.00 179.45 178.65 1ktm n LEU 1004N -3.36 2.02 0.13 2.94 4.77 0.36 -3.57 117.00 120.29 1ktm n LEU 1004Ca 0.03 0.37 0.09 0.00 -0.03 0.00 0.00 56.01 56.47 1ktm n LEU 1004Cb 0.49 -0.98 0.49 0.00 -2.33 0.00 0.00 43.42 41.09 1ktm n LEU 1004CO 0.21 0.41 0.78 0.00 -1.33 0.00 0.00 177.39 177.47 1ktm n ALA 1005N -3.41 1.12 0.02 -1.18 0.00 0.46 0.89 120.51 118.41 1ktm n ALA 1005Ca -0.34 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1ktm n ALA 1005Cb 0.77 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1ktm n ALA 1005CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ktm h GLN 1006N 0.00 0.01 -0.02 0.00 5.75 0.01 -2.32 115.11 118.55 1ktm h GLN 1006Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1ktm h GLN 1006Cb 0.05 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1ktm h GLN 1006CO 0.00 0.74 -0.38 0.94 -2.65 0.00 0.00 178.83 177.48 1ktm n GLN 1007N -3.20 1.46 -0.01 1.69 7.27 0.48 -4.23 117.38 120.83 1ktm n GLN 1007Ca -0.10 -1.01 0.07 0.00 0.07 0.00 0.00 57.00 56.04 1ktm n GLN 1007Cb 1.00 -1.40 -0.13 0.00 2.41 0.00 0.00 30.24 32.13 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 0.06 0.00 -0.34 3.69 4.01 0.26 -4.41 117.16 120.43 1ktm n TYR 1008Ca 0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.83 1ktm n TYR 1008Cb 0.43 -0.41 0.17 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.00 1.17 -1.79 -0.72 3.04 -1.59 -1.43 116.25 114.94 1ktm h VAL 1009Ca -0.04 -0.41 0.52 0.00 -1.01 0.00 0.00 66.70 65.76 1ktm h VAL 1009Cb 0.85 -0.14 -0.07 0.00 -2.01 0.00 0.00 31.29 29.92 1ktm h VAL 1009CO 0.00 0.22 1.36 0.00 -1.01 0.00 0.00 177.57 178.14 1ktm h MET 1010N 1.20 0.00 0.00 4.17 -0.00 -1.80 -3.38 114.93 115.12 1ktm h MET 1010Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.07 1ktm h MET 1010Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ktm h MET 1010CO -0.11 0.00 0.00 -2.37 -0.00 0.00 0.00 176.91 174.43 1ktm n THR 1011N -3.84 0.00 -0.01 -0.10 5.66 -0.54 -5.06 114.28 110.40 1ktm n THR 1011Ca 0.40 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.43 1ktm n THR 1011Cb 1.90 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 70.62 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 3.29 -0.21 1.09 7.64 -1.26 -4.53 113.62 119.65 1ktm n SER 1012Ca 0.00 0.00 0.30 0.00 1.01 0.00 0.00 58.87 60.18 1ktm n SER 1012Cb 0.00 1.21 0.59 0.00 -1.01 0.00 0.00 64.21 65.01 1ktm n SER 1012CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ktm h LEU 1013N 0.00 0.00 0.00 -3.43 7.12 -1.89 -2.13 115.31 114.98 1ktm h LEU 1013Ca -0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1ktm h LEU 1013Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1ktm h LEU 1013CO 0.00 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.98 1ktm n GLN 1014N -3.53 0.00 -0.36 1.25 7.27 -1.25 0.17 117.38 120.94 1ktm n GLN 1014Ca 0.22 0.81 0.32 0.00 0.07 0.00 0.00 57.00 58.42 1ktm n GLN 1014Cb 1.33 -1.25 0.56 0.00 2.41 0.00 0.00 30.24 33.30 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 -2.60 -0.04 0.21 3.69 10.64 -0.80 0.20 117.38 128.68 1ktm n GLN 1015Ca 0.00 1.15 -0.09 0.00 -1.83 0.00 0.00 57.00 56.23 1ktm n GLN 1015Cb 0.00 -2.17 -0.04 0.00 -0.86 0.00 0.00 30.24 27.16 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 -0.56 0.00 2.61 4.81 0.15 -2.82 114.58 118.77 1ktm h GLU 1016Ca 0.76 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 60.03 1ktm h GLU 1016Cb 2.27 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.78 1ktm h GLU 1016CO -0.53 -0.38 0.00 1.88 -0.73 0.00 0.00 179.01 179.26 1ktm h TYR 1017N -0.98 0.00 -0.33 0.92 0.05 0.33 -1.08 116.97 115.88 1ktm h TYR 1017Ca -0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 1ktm h TYR 1017Cb 0.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1ktm h TYR 1017CO 0.02 0.00 -0.14 -0.22 -1.05 0.00 0.00 178.16 176.78 1ktm h LYS 1018N 0.00 0.68 -0.61 4.88 1.63 0.23 -2.58 116.57 120.79 1ktm h LYS 1018Ca 0.00 -0.29 -0.05 0.00 -0.85 0.00 0.00 60.65 59.46 1ktm h LYS 1018Cb 0.03 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1ktm h LYS 1018CO 0.00 0.88 0.17 0.87 -3.45 0.00 0.00 179.45 177.92 1ktm h LYS 1019N 0.45 0.94 -0.42 1.90 6.56 -0.94 -2.60 116.57 122.47 1ktm h LYS 1019Ca 0.08 -0.19 0.05 0.00 -1.06 0.00 0.00 60.65 59.53 1ktm h LYS 1019Cb 0.66 -0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.13 1ktm h LYS 1019CO 0.04 0.82 0.13 1.96 -2.06 0.00 0.00 179.45 180.35 1ktm h GLN 1020N 0.90 0.28 -0.44 3.15 1.08 -1.28 -2.03 115.11 116.78 1ktm h GLN 1020Ca 0.20 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 1ktm h GLN 1020Cb 0.29 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1ktm h GLN 1020CO -0.01 0.19 0.08 1.98 -0.95 0.00 0.00 178.83 180.12 1ktm h MET 1021N 0.29 0.21 -0.62 1.46 4.05 -1.08 -1.28 114.93 117.96 1ktm h MET 1021Ca 0.19 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.73 1ktm h MET 1021Cb 0.20 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 30.86 1ktm h MET 1021CO -0.21 0.14 0.10 1.25 0.23 0.00 0.00 176.91 178.42 1ktm h LEU 1022N 0.21 -0.07 -0.56 3.39 7.12 -1.19 0.76 115.31 124.97 1ktm h LEU 1022Ca 0.21 0.13 0.11 0.00 0.13 0.00 0.00 57.88 58.46 1ktm h LEU 1022Cb 0.27 0.19 -0.11 0.00 -0.53 0.00 0.00 40.66 40.48 1ktm h LEU 1022CO -0.29 -0.03 -0.24 0.74 -0.13 0.00 0.00 178.44 178.49 1ktm h THR 1023N 0.22 0.29 -0.68 1.05 2.02 -0.75 0.28 112.91 115.34 1ktm h THR 1023Ca 0.33 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.48 1ktm h THR 1023Cb 0.51 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1ktm h THR 1023CO -0.45 0.00 0.32 0.00 0.37 0.00 0.00 175.52 175.77 1ktm h ALA 1024N 1.27 0.88 -0.40 6.16 0.00 -0.89 -0.94 119.26 125.34 1ktm h ALA 1024Ca 0.25 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1ktm h ALA 1024Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ktm h ALA 1024CO -0.63 0.45 0.28 0.00 0.00 0.00 0.00 179.25 179.36 1ktm h ALA 1025N 1.15 2.36 0.19 0.00 0.00 0.16 1.61 119.26 124.72 1ktm h ALA 1025Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ktm h ALA 1025Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ktm h ALA 1025CO -0.03 -0.47 -0.09 1.25 0.00 0.00 0.00 179.25 179.91 1ktm h HIS 1026N 0.01 -0.24 -0.35 0.00 6.17 0.72 -2.18 115.15 119.28 1ktm h HIS 1026Ca 0.19 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.21 1ktm h HIS 1026Cb 0.73 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.72 1ktm h HIS 1026CO -0.00 0.17 0.01 0.00 0.71 0.00 0.00 177.93 178.82 1ktm h ALA 1027N -0.35 1.36 0.28 5.26 0.00 -0.60 -2.93 119.26 122.27 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 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ktm h ALA 1027CO 0.04 0.45 -0.20 -0.07 0.00 0.00 0.00 179.25 179.47 1ktm h LEU 1028N 0.53 -0.51 -0.93 0.00 3.38 0.23 1.57 115.31 119.58 1ktm h LEU 1028Ca 0.11 0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.42 1ktm h LEU 1028Cb 0.33 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.06 1ktm h LEU 1028CO 0.01 -0.29 0.18 0.00 0.09 0.00 0.00 178.44 178.43 1ktm n ALA 1029N -2.39 0.63 0.14 1.53 0.00 -0.82 0.61 120.51 120.22 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 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 0.56 -0.92 0.00 2.07 -1.23 -1.21 116.25 115.53 1ktm h VAL 1030Ca 0.64 -0.76 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1ktm h VAL 1030Cb 1.47 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 31.98 1ktm h VAL 1030CO -0.82 0.12 -0.46 0.44 0.02 0.00 0.00 177.57 176.88 1ktm h ASP 1031N -0.91 -1.66 -0.70 0.57 5.19 0.79 1.85 116.42 121.56 1ktm h ASP 1031Ca -0.04 0.30 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1ktm h ASP 1031Cb 0.52 0.80 -0.04 0.00 0.18 0.00 0.00 39.33 40.79 1ktm h ASP 1031CO 0.07 -0.28 0.46 0.00 -3.12 0.00 0.00 179.24 176.37 1ktm h ALA 1032N 0.98 1.52 0.30 3.45 0.00 -0.45 -2.50 119.26 122.57 1ktm h ALA 1032Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ktm h ALA 1032Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ktm h ALA 1032CO -0.92 0.43 -0.15 -0.22 0.00 0.00 0.00 179.25 178.40 1ktm h LYS 1033N 0.92 -0.39 -1.76 0.00 3.64 0.37 -2.32 116.57 117.03 1ktm h LYS 1033Ca 0.26 0.03 0.52 0.00 -1.27 0.00 0.00 60.65 60.19 1ktm h LYS 1033Cb -0.08 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 1ktm h LYS 1033CO -0.06 -0.26 1.25 0.09 -2.27 0.00 0.00 179.45 178.20 1ktm n ASN 1034N -3.17 0.03 0.01 4.20 3.02 0.28 0.24 115.26 119.87 1ktm n ASN 1034Ca -0.05 0.98 -0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1ktm n ASN 1034Cb 0.16 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1ktm n ASN 1034CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ktm h LEU 1035N 0.00 -0.03 -0.16 3.41 7.12 -0.96 -1.34 115.31 123.35 1ktm h LEU 1035Ca 0.87 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.77 1ktm h LEU 1035Cb 3.40 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 43.53 1ktm h LEU 1035CO -0.08 -0.02 -0.33 0.25 -0.13 0.00 0.00 178.44 178.13 1ktm h LEU 1036N -0.03 0.57 -0.99 2.25 6.46 -0.19 -2.85 115.31 120.53 1ktm h LEU 1036Ca -0.00 -0.56 0.35 0.00 -0.12 0.00 0.00 57.88 57.55 1ktm h LEU 1036Cb 0.02 -0.16 -0.17 0.00 -0.73 0.00 0.00 40.66 39.62 1ktm h LEU 1036CO 0.00 1.02 0.44 -0.78 -0.62 0.00 0.00 178.44 178.50 1ktm h ASP 1037N 0.14 0.21 -0.23 1.25 1.82 0.29 1.96 116.42 121.86 1ktm h ASP 1037Ca 0.00 0.24 -0.18 0.00 -0.39 0.00 0.00 57.03 56.70 1ktm h ASP 1037Cb 0.93 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1ktm h ASP 1037CO 0.07 -0.33 -0.57 0.58 -1.61 0.00 0.00 179.24 177.39 1ktm h VAL 1038N 0.10 1.29 0.31 2.25 2.07 -1.14 -2.95 116.25 118.18 1ktm h VAL 1038Ca 0.75 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1ktm h VAL 1038Cb 1.84 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1ktm h VAL 1038CO -0.74 0.57 -0.37 0.40 0.02 0.00 0.00 177.57 177.45 1ktm h ILE 1039N 0.54 0.25 -0.85 4.57 2.04 0.31 1.44 117.51 125.81 1ktm h ILE 1039Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 1ktm h ILE 1039Cb 1.19 0.25 -0.14 0.00 -0.74 0.00 0.00 36.82 37.38 1ktm h ILE 1039CO 0.12 0.00 0.23 -0.78 0.00 0.00 0.00 178.15 177.72 1ktm h ASP 1040N -0.72 0.01 1.17 1.72 3.58 -0.46 1.78 116.42 123.51 1ktm h ASP 1040Ca -0.01 0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1ktm h ASP 1040Cb 0.67 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1ktm h ASP 1040CO -0.10 -0.13 -0.38 1.56 -2.88 0.00 0.00 179.24 177.32 1ktm h GLN 1041N 0.23 0.00 0.03 0.28 4.20 -1.10 -3.06 115.11 115.69 1ktm h GLN 1041Ca 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.23 1ktm h GLN 1041Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1ktm h GLN 1041CO -0.63 0.38 -0.02 0.00 -0.67 0.00 0.00 178.83 177.89 1ktm h ALA 1042N 1.62 -0.04 -0.24 3.87 0.00 1.29 -2.61 119.26 123.15 1ktm h ALA 1042Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ktm h ALA 1042Cb 1.06 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1ktm h ALA 1042CO 0.05 -0.14 -0.55 -0.09 0.00 0.00 0.00 179.25 178.52 1ktm h ARG 1043N -0.81 -0.49 -0.77 0.00 2.43 0.19 0.36 114.38 115.29 1ktm h ARG 1043Ca -0.00 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1ktm h ARG 1043Cb 0.69 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1ktm h ARG 1043CO 0.01 -0.33 0.51 1.37 -1.51 0.00 0.00 179.97 180.02 1ktm h LEU 1044N -0.51 0.41 -1.89 3.80 8.10 -1.65 0.57 115.31 124.13 1ktm h LEU 1044Ca 0.05 0.02 0.06 0.00 0.11 0.00 0.00 57.88 58.12 1ktm h LEU 1044Cb 0.65 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1ktm h LEU 1044CO -0.50 0.21 0.43 0.50 -4.11 0.00 0.00 178.44 174.97 1ktm h LYS 1045N 0.43 0.00 0.09 0.17 3.64 0.12 0.46 116.57 121.48 1ktm h LYS 1045Ca 0.38 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.40 1ktm h LYS 1045Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1ktm h LYS 1045CO -0.13 0.00 -2.07 0.00 -2.27 0.00 0.00 179.45 174.99 1ktm n MET 1046N -3.23 0.73 -0.03 1.90 0.00 0.20 -3.42 117.12 113.28 1ktm n MET 1046Ca 0.03 0.24 -0.12 0.00 0.00 0.00 0.00 57.70 57.85 1ktm n MET 1046Cb 0.53 -1.68 -0.06 0.00 0.00 0.00 0.00 33.22 32.01 1ktm n MET 1046CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ktm h ILE 1047N 0.05 1.18 0.06 3.17 2.04 -0.29 -0.32 117.51 123.40 1ktm h ILE 1047Ca -0.44 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1ktm h ILE 1047Cb 2.01 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1ktm h ILE 1047CO 0.06 0.17 -0.04 0.28 0.00 0.00 0.00 178.15 178.61 1ktm h SER 1048N 0.00 -0.10 -0.51 1.72 0.02 -0.45 0.11 113.55 114.34 1ktm h SER 1048Ca 0.04 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1ktm h SER 1048Cb 0.23 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 1ktm h SER 1048CO -0.00 -0.06 -0.43 1.56 -1.14 0.00 0.00 176.83 176.76 1ktm h GLN 1049N -0.09 -0.15 -0.51 3.45 1.08 -1.62 -1.48 115.11 115.78 1ktm h GLN 1049Ca -0.01 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1ktm h GLN 1049Cb 0.08 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 1ktm h GLN 1049CO 0.01 -0.10 -0.43 1.03 -0.95 0.00 0.00 178.83 178.38 1ktm h SER 1050N -0.16 -1.52 -2.38 1.46 0.87 -1.06 -3.37 113.55 107.39 1ktm h SER 1050Ca 0.08 0.21 -0.53 0.00 -1.23 0.00 0.00 61.79 60.33 1ktm h SER 1050Cb 0.38 0.65 0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1ktm h SER 1050CO -0.56 -0.25 1.23 -0.13 -0.53 0.00 0.00 176.83 176.59 1ktm s ARG 1051N -4.95 4.14 0.54 2.24 1.81 0.37 -4.97 118.95 118.12 1ktm s ARG 1051Ca -0.10 2.59 -0.09 0.00 -1.72 0.00 0.00 55.73 56.40 1ktm s ARG 1051Cb 0.07 -4.15 0.13 0.00 -0.45 0.00 0.00 34.95 30.55 1ktm s ARG 1051CO 0.47 -0.95 0.59 -0.35 -0.68 0.00 0.00 175.30 174.37 1ktm n PRO 1052N 7.52 -1.33 0.00 3.54 -0.04 -1.26 -4.80 135.00 138.63 1ktm n PRO 1052Ca 0.20 -0.93 0.04 0.00 -0.04 0.00 0.00 63.50 62.77 1ktm n PRO 1052Cb 0.41 -0.73 0.24 0.00 -0.04 0.00 0.00 33.50 33.38 1ktm n PRO 1052CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18