#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm s ALA 916 N 0.00 3.67 -0.91 3.04 0.00 -1.26 -5.04 121.76 121.26 1ktm s ALA 916 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 1ktm s ALA 916 Cb 0.00 -1.75 0.10 0.00 0.00 0.00 0.00 23.12 21.48 1ktm s ALA 916 CO 0.00 0.64 1.17 -0.80 0.00 0.00 0.00 175.76 176.77 1ktm s ASN 917 N -1.24 6.53 -0.25 0.00 -0.87 -1.26 -4.95 114.94 112.91 1ktm s ASN 917 Ca 0.18 -1.76 0.01 0.00 -1.57 0.00 0.00 52.86 49.72 1ktm s ASN 917 Cb -0.12 -2.44 0.07 0.00 -0.02 0.00 0.00 41.25 38.74 1ktm s ASN 917 CO 0.07 -1.22 -0.04 -0.76 -2.57 0.00 0.00 177.10 172.59 1ktm s LEU 918 N 3.38 2.86 0.00 0.60 1.02 -1.26 -5.12 118.68 120.16 1ktm s LEU 918 Ca 0.34 -1.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.12 1ktm s LEU 918 Cb -0.05 -1.24 0.05 0.00 0.02 0.00 0.00 46.19 44.97 1ktm s LEU 918 CO -0.07 -0.26 0.11 0.47 0.02 0.00 0.00 176.35 176.63 1ktm n ASP 919 N 4.62 -1.93 -1.78 2.29 9.92 -1.26 -4.78 116.55 123.62 1ktm n ASP 919 Ca -0.10 -0.12 -0.14 0.00 -0.53 0.00 0.00 54.79 53.91 1ktm n ASP 919 Cb 0.43 -0.15 0.04 0.00 -0.64 0.00 0.00 41.12 40.81 1ktm n ASP 919 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ktm n ARG 920 N -1.96 1.68 -0.05 -1.24 1.85 -1.26 -4.15 116.66 111.53 1ktm n ARG 920 Ca 0.02 -1.38 -0.20 0.00 -1.00 0.00 0.00 57.85 55.28 1ktm n ARG 920 Cb 0.08 -1.54 -0.13 0.00 -1.05 0.00 0.00 32.46 29.82 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 1.21 0.16 0.64 2.89 4.64 -1.99 -1.79 113.55 119.32 1ktm h SER 921 Ca 0.26 -0.75 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1ktm h SER 921 Cb 1.11 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1ktm h SER 921 CO 0.64 1.46 -0.31 -1.13 -0.87 0.00 0.00 176.83 176.61 1ktm h ASN 922 N -0.70 0.00 0.02 4.97 -1.24 -1.93 -2.81 115.58 113.89 1ktm h ASN 922 Ca -0.27 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.71 1ktm h ASN 922 Cb 1.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1ktm h ASN 922 CO -0.06 0.31 -0.15 -0.78 -1.29 0.00 0.00 177.43 175.47 1ktm h ASP 923 N 0.00 0.09 -0.67 1.15 3.58 -1.81 -2.46 116.42 116.29 1ktm h ASP 923 Ca -0.00 -0.98 0.11 0.00 0.42 0.00 0.00 57.03 56.57 1ktm h ASP 923 Cb 0.72 -0.03 -0.12 0.00 1.72 0.00 0.00 39.33 41.62 1ktm h ASP 923 CO 0.04 1.06 -0.39 0.50 -2.88 0.00 0.00 179.24 177.57 1ktm h LYS 924 N -0.87 -0.15 0.00 0.28 1.63 -1.22 1.33 116.57 117.57 1ktm h LYS 924 Ca -0.03 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1ktm h LYS 924 Cb 1.10 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1ktm h LYS 924 CO 0.03 -0.10 0.00 0.28 -3.45 0.00 0.00 179.45 176.21 1ktm n VAL 925 N -5.42 0.00 -0.41 2.00 0.31 -1.07 -1.35 118.33 112.39 1ktm n VAL 925 Ca 0.04 1.38 0.35 0.00 -0.01 0.00 0.00 64.34 66.10 1ktm n VAL 925 Cb 0.36 -2.37 0.60 0.00 -0.91 0.00 0.00 33.84 31.52 1ktm n VAL 925 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ktm n TYR 926 N -1.90 0.71 0.13 3.52 4.02 -0.93 -0.37 117.16 122.34 1ktm n TYR 926 Ca 0.00 0.72 -0.05 0.00 -0.01 0.00 0.00 57.90 58.55 1ktm n TYR 926 Cb 0.00 -1.14 -0.02 0.00 -0.02 0.00 0.00 39.34 38.16 1ktm n TYR 926 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ktm h GLU 927 N 0.00 -0.32 -0.97 -0.72 4.39 0.20 -2.31 114.58 114.85 1ktm h GLU 927 Ca 0.80 0.02 0.36 0.00 0.34 0.00 0.00 59.36 60.88 1ktm h GLU 927 Cb 2.49 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 31.03 1ktm h GLU 927 CO -0.47 -0.22 0.35 -1.71 -1.16 0.00 0.00 179.01 175.81 1ktm n ASN 928 N -3.14 0.19 0.17 1.42 2.85 0.50 0.90 115.26 118.14 1ktm n ASN 928 Ca -0.04 1.63 -0.10 0.00 -0.11 0.00 0.00 54.58 55.96 1ktm n ASN 928 Cb 0.13 -0.73 -0.05 0.00 1.24 0.00 0.00 39.78 40.37 1ktm n ASN 928 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1ktm h VAL 929 N 0.00 0.00 -0.38 3.44 2.07 -1.14 0.33 116.25 120.57 1ktm h VAL 929 Ca 0.75 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.32 1ktm h VAL 929 Cb 1.86 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1ktm h VAL 929 CO -0.81 0.00 0.09 0.71 0.02 0.00 0.00 177.57 177.58 1ktm h THR 930 N -0.56 0.82 -0.71 2.57 1.35 0.31 0.86 112.91 117.55 1ktm h THR 930 Ca -0.04 -0.08 0.14 0.00 -0.55 0.00 0.00 66.41 65.89 1ktm h THR 930 Cb 0.48 0.58 -0.10 0.00 -1.73 0.00 0.00 68.15 67.38 1ktm h THR 930 CO -0.02 0.04 0.20 1.23 -0.25 0.00 0.00 175.52 176.72 1ktm h GLY 931 N 0.22 1.00 0.29 5.82 0.00 0.72 2.51 103.07 113.62 1ktm h GLY 931 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ktm h GLY 931 CO -0.23 -0.15 -0.05 0.17 0.00 0.00 0.00 176.54 176.29 1ktm h LEU 932 N 0.32 -0.11 -1.84 3.11 8.10 0.54 -2.94 115.31 122.49 1ktm h LEU 932 Ca 0.39 -0.47 0.14 0.00 0.11 0.00 0.00 57.88 58.04 1ktm h LEU 932 Cb 0.62 0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.84 1ktm h LEU 932 CO -0.45 0.51 0.40 1.62 -4.11 0.00 0.00 178.44 176.41 1ktm h VAL 933 N -0.84 0.79 -0.20 0.15 3.04 0.13 0.48 116.25 119.80 1ktm h VAL 933 Ca -0.01 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1ktm h VAL 933 Cb 0.58 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1ktm h VAL 933 CO 0.02 0.03 0.11 0.11 -1.01 0.00 0.00 177.57 176.83 1ktm h LYS 934 N 0.17 0.27 -0.28 4.17 1.79 0.43 -2.73 116.57 120.39 1ktm h LYS 934 Ca 0.27 -0.03 -0.18 0.00 -2.18 0.00 0.00 60.65 58.54 1ktm h LYS 934 Cb 0.84 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1ktm h LYS 934 CO -0.04 0.25 -0.52 0.00 -1.08 0.00 0.00 179.45 178.06 1ktm h ALA 935 N 1.01 0.44 -0.99 3.86 0.00 -0.74 -1.18 119.26 121.65 1ktm h ALA 935 Ca 0.07 -0.50 0.30 0.00 0.00 0.00 0.00 54.91 54.78 1ktm h ALA 935 Cb 0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.59 1ktm h ALA 935 CO -0.01 0.63 0.14 0.28 0.00 0.00 0.00 179.25 180.29 1ktm h VAL 936 N 0.62 0.02 0.00 0.00 2.07 0.14 1.50 116.25 120.59 1ktm h VAL 936 Ca 0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ktm h VAL 936 Cb 1.12 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1ktm h VAL 936 CO 0.12 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 178.01 1ktm h ILE 937 N 0.01 0.00 -0.80 4.57 2.04 -1.42 -3.35 117.51 118.57 1ktm h ILE 937 Ca 0.65 -0.48 0.22 0.00 1.00 0.00 0.00 64.86 66.25 1ktm h ILE 937 Cb 1.45 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.38 1ktm h ILE 937 CO -0.89 0.00 0.01 -0.62 0.00 0.00 0.00 178.15 176.65 1ktm n GLU 938 N -3.36 -0.06 -0.11 2.37 4.71 -0.46 0.02 120.64 123.75 1ktm n GLU 938 Ca -0.01 1.21 -0.08 0.00 -0.01 0.00 0.00 57.16 58.26 1ktm n GLU 938 Cb 0.05 -1.91 -0.06 0.00 -1.01 0.00 0.00 31.44 28.50 1ktm n GLU 938 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1ktm h MET 939 N 0.00 -0.21 -0.98 3.49 2.86 0.19 0.26 114.93 120.54 1ktm h MET 939 Ca 0.48 0.01 0.34 0.00 -2.06 0.00 0.00 59.70 58.47 1ktm h MET 939 Cb 0.99 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 32.54 1ktm h MET 939 CO -0.76 -0.14 0.46 0.77 1.06 0.00 0.00 176.91 178.30 1ktm h SER 940 N -0.22 0.28 0.41 1.22 0.02 -0.53 1.54 113.55 116.27 1ktm h SER 940 Ca 0.05 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1ktm h SER 940 Cb 0.36 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1ktm h SER 940 CO -0.40 -0.26 -0.24 -1.28 -1.14 0.00 0.00 176.83 173.52 1ktm h SER 941 N 0.17 -0.59 -0.40 3.07 0.87 -0.33 -2.55 113.55 113.79 1ktm h SER 941 Ca 0.73 0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 61.10 1ktm h SER 941 Cb 1.73 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 63.73 1ktm h SER 941 CO -0.70 -0.37 0.28 2.29 -0.53 0.00 0.00 176.83 177.80 1ktm n LYS 942 N -3.77 1.52 -0.08 2.24 -0.00 -0.03 -4.04 118.16 114.00 1ktm n LYS 942 Ca -0.07 -1.23 -0.08 0.00 -0.00 0.00 0.00 58.31 56.93 1ktm n LYS 942 Cb 0.25 -1.48 -0.03 0.00 -0.00 0.00 0.00 35.03 33.77 1ktm n LYS 942 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ktm n ILE 943 N -0.10 1.46 -0.29 0.58 2.08 0.51 -2.53 119.36 121.08 1ktm n ILE 943 Ca 0.24 0.15 0.05 0.00 0.56 0.00 0.00 62.75 63.75 1ktm n ILE 943 Cb 0.94 -2.34 0.13 0.00 -0.75 0.00 0.00 39.64 37.62 1ktm n ILE 943 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1ktm h GLN 944 N -1.00 0.02 -0.02 0.38 4.15 -1.69 -0.64 115.11 116.30 1ktm h GLN 944 Ca -0.04 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 1ktm h GLN 944 Cb 0.81 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.50 1ktm h GLN 944 CO -0.02 0.01 -0.37 -1.00 -1.93 0.00 0.00 178.83 175.52 1ktm h PRO 945 N 0.02 0.29 -5.22 -2.39 0.13 -1.79 -3.46 132.00 119.57 1ktm h PRO 945 Ca 0.42 -0.28 -0.71 0.00 -0.87 0.00 0.00 66.00 64.56 1ktm h PRO 945 Cb 0.70 0.07 0.03 0.00 0.13 0.00 0.00 31.00 31.93 1ktm h PRO 945 CO -0.83 0.96 0.24 0.00 -0.23 0.00 0.00 178.00 178.14 1ktm n ALA 946 N -2.54 -2.54 -1.52 -0.56 0.00 -0.25 -4.90 120.51 108.19 1ktm n ALA 946 Ca -0.09 0.49 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1ktm n ALA 946 Cb 0.55 -1.58 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 0.89 -0.11 0.22 0.00 0.04 -1.26 -4.74 135.00 130.05 1ktm s PRO 947 Ca 0.83 -0.19 0.25 0.00 0.04 0.00 0.00 61.00 61.94 1ktm s PRO 947 Cb -1.17 -1.74 0.90 0.00 0.04 0.00 0.00 34.50 32.53 1ktm s PRO 947 CO 0.57 -2.95 1.75 -0.35 0.04 0.00 0.00 177.00 176.06 1ktm n PRO 948 N -4.19 0.22 0.06 0.56 -0.04 -1.26 0.25 135.00 130.60 1ktm n PRO 948 Ca 0.13 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1ktm n PRO 948 Cb 0.59 -1.83 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 1ktm n PRO 948 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ktm n GLU 949 N -2.22 0.41 -0.00 0.54 1.02 -1.26 -3.02 120.64 116.11 1ktm n GLU 949 Ca 0.04 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1ktm n GLU 949 Cb 0.33 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1ktm n GLU 949 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ktm n GLU 950 N -2.26 4.46 -0.02 3.49 4.07 -1.01 -4.59 120.64 124.79 1ktm n GLU 950 Ca 0.01 -0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.91 1ktm n GLU 950 Cb 0.48 -0.86 -0.14 0.00 -0.06 0.00 0.00 31.44 30.86 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 -1.18 1.06 -0.21 4.31 4.19 0.14 -2.76 117.16 122.71 1ktm n TYR 951 Ca 0.01 0.22 0.02 0.00 3.31 0.00 0.00 57.90 61.47 1ktm n TYR 951 Cb 0.12 -1.14 0.11 0.00 0.49 0.00 0.00 39.34 38.93 1ktm n TYR 951 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1ktm h VAL 952 N 0.06 0.50 -0.03 2.97 2.07 -1.75 -1.75 116.25 118.31 1ktm h VAL 952 Ca -0.45 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 1ktm h VAL 952 Cb 2.01 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1ktm h VAL 952 CO 0.06 0.03 -0.47 1.55 0.02 0.00 0.00 177.57 178.75 1ktm h PRO 953 N 0.15 0.37 -0.72 1.57 0.13 -1.81 -3.03 132.00 128.65 1ktm h PRO 953 Ca 0.34 -0.36 0.13 0.00 -0.87 0.00 0.00 66.00 65.24 1ktm h PRO 953 Cb 0.55 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 31.65 1ktm h PRO 953 CO -0.52 1.03 -0.22 -0.12 -0.23 0.00 0.00 178.00 177.94 1ktm n MET 954 N -4.31 -0.10 0.04 0.86 1.56 -0.70 0.13 117.12 114.60 1ktm n MET 954 Ca -0.09 1.12 -0.12 0.00 -0.27 0.00 0.00 57.70 58.34 1ktm n MET 954 Cb 0.60 -1.68 -0.09 0.00 2.15 0.00 0.00 33.22 34.21 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 1.08 -0.97 1.12 2.07 -1.55 -2.94 116.25 115.06 1ktm h VAL 955 Ca 0.31 -1.12 0.30 0.00 0.82 0.00 0.00 66.70 67.02 1ktm h VAL 955 Cb 0.50 1.75 -0.15 0.00 -1.52 0.00 0.00 31.29 31.87 1ktm h VAL 955 CO -0.74 0.25 0.47 0.11 0.02 0.00 0.00 177.57 177.69 1ktm h LYS 956 N -0.71 0.26 0.54 1.57 1.57 0.33 0.26 116.57 120.40 1ktm h LYS 956 Ca -0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ktm h LYS 956 Cb 0.53 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ktm h LYS 956 CO 0.03 0.17 -0.30 0.93 -0.57 0.00 0.00 179.45 179.71 1ktm h GLU 957 N 0.27 -0.76 -0.96 3.15 3.07 0.11 -2.80 114.58 116.67 1ktm h GLU 957 Ca 0.69 0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.71 1ktm h GLU 957 Cb 1.56 0.17 -0.13 0.00 -0.84 0.00 0.00 28.75 29.51 1ktm h GLU 957 CO -0.64 -0.50 -0.53 0.28 -1.40 0.00 0.00 179.01 176.22 1ktm h VAL 958 N -0.79 0.00 -0.83 3.13 2.07 -0.32 0.61 116.25 120.14 1ktm h VAL 958 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1ktm h VAL 958 Cb 0.63 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.25 1ktm h VAL 958 CO 0.09 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.78 1ktm h GLY 959 N -0.03 0.73 0.33 2.17 0.00 -1.26 0.21 103.07 105.22 1ktm h GLY 959 Ca 0.21 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1ktm h GLY 959 CO -0.93 -0.33 -0.30 -2.00 0.00 0.00 0.00 176.54 172.98 1ktm h LEU 960 N 0.03 -0.90 -0.23 3.11 6.46 0.45 0.70 115.31 124.94 1ktm h LEU 960 Ca 0.42 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 58.35 1ktm h LEU 960 Cb 0.71 0.36 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 1ktm h LEU 960 CO -0.81 -0.36 -0.51 0.00 -0.62 0.00 0.00 178.44 176.14 1ktm h ALA 961 N 0.33 -0.75 -0.65 1.25 0.00 0.40 0.10 119.26 119.94 1ktm h ALA 961 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ktm h ALA 961 Cb 0.53 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 1ktm h ALA 961 CO -0.26 -1.02 0.24 -0.07 0.00 0.00 0.00 179.25 178.14 1ktm h LEU 962 N -0.50 0.22 -0.35 0.00 4.07 -0.59 -0.24 115.31 117.93 1ktm h LEU 962 Ca 0.06 0.09 0.07 0.00 0.08 0.00 0.00 57.88 58.18 1ktm h LEU 962 Cb 0.64 0.07 -0.09 0.00 1.08 0.00 0.00 40.66 42.37 1ktm h LEU 962 CO -0.48 0.12 -0.39 -0.09 -1.08 0.00 0.00 178.44 176.52 1ktm h ARG 963 N 0.41 -0.32 -0.96 1.13 9.65 0.27 0.24 114.38 124.81 1ktm h ARG 963 Ca 0.34 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.27 1ktm h ARG 963 Cb 0.44 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 1ktm h ARG 963 CO -0.34 -0.21 0.63 1.15 2.80 0.00 0.00 179.97 184.00 1ktm h THR 964 N -0.33 1.18 0.02 0.20 2.02 -0.02 -2.42 112.91 113.57 1ktm h THR 964 Ca 0.14 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1ktm h THR 964 Cb 0.57 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1ktm h THR 964 CO -0.53 0.23 -0.22 0.25 0.37 0.00 0.00 175.52 175.62 1ktm h LEU 965 N 1.24 -0.65 -0.81 2.58 5.85 0.85 0.31 115.31 124.68 1ktm h LEU 965 Ca 0.38 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.31 1ktm h LEU 965 Cb -0.03 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.13 1ktm h LEU 965 CO -0.11 -0.29 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.22 1ktm h LEU 966 N -0.37 -1.45 -0.13 2.25 4.07 -0.13 1.71 115.31 121.27 1ktm h LEU 966 Ca 0.05 0.28 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1ktm h LEU 966 Cb 0.43 0.72 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1ktm h LEU 966 CO -0.19 -0.30 0.08 0.00 -1.08 0.00 0.00 178.44 176.96 1ktm h ALA 967 N 1.05 0.16 -0.81 1.53 0.00 -1.23 -1.94 119.26 118.02 1ktm h ALA 967 Ca 0.27 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1ktm h ALA 967 Cb 0.56 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1ktm h ALA 967 CO -0.85 -0.35 0.45 1.15 0.00 0.00 0.00 179.25 179.65 1ktm h THR 968 N 0.17 0.87 -0.46 0.00 2.02 0.36 -0.71 112.91 115.15 1ktm h THR 968 Ca 0.05 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1ktm h THR 968 Cb -0.01 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.42 1ktm h THR 968 CO -0.01 0.13 0.20 0.58 0.37 0.00 0.00 175.52 176.79 1ktm h VAL 969 N 0.73 0.91 -1.02 3.16 2.07 0.29 0.24 116.25 122.63 1ktm h VAL 969 Ca 0.40 -0.14 0.25 0.00 0.82 0.00 0.00 66.70 68.03 1ktm h VAL 969 Cb 0.41 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 30.54 1ktm h VAL 969 CO -0.27 0.07 0.62 -0.78 0.02 0.00 0.00 177.57 177.23 1ktm h ASP 970 N 0.40 0.62 1.36 0.57 3.58 -0.39 2.04 116.42 124.61 1ktm h ASP 970 Ca 0.21 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.72 1ktm h ASP 970 Cb 0.17 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1ktm h ASP 970 CO -0.18 0.11 -0.32 -0.33 -2.88 0.00 0.00 179.24 175.63 1ktm h GLU 971 N 0.54 0.00 0.00 0.28 5.08 -0.76 -3.07 114.58 116.65 1ktm h GLU 971 Ca 0.63 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.83 1ktm h GLU 971 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1ktm h GLU 971 CO -0.43 0.32 -1.09 1.03 -1.00 0.00 0.00 179.01 177.84 1ktm h SER 972 N 0.00 0.00 -0.84 1.42 0.87 0.36 -3.28 113.55 112.09 1ktm h SER 972 Ca -0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1ktm h SER 972 Cb 1.09 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.89 1ktm h SER 972 CO 0.04 0.62 -0.24 0.25 -0.53 0.00 0.00 176.83 176.97 1ktm h LEU 973 N 0.00 -0.89 -0.26 2.23 6.46 0.26 0.38 115.31 123.49 1ktm h LEU 973 Ca -0.10 0.26 -0.21 0.00 -0.12 0.00 0.00 57.88 57.70 1ktm h LEU 973 Cb 1.56 0.55 -0.00 0.00 -0.73 0.00 0.00 40.66 42.04 1ktm h LEU 973 CO 0.06 -0.28 -0.86 1.55 -0.62 0.00 0.00 178.44 178.29 1ktm h PRO 974 N -0.02 0.40 -1.23 5.25 0.13 -1.72 -3.12 132.00 131.69 1ktm h PRO 974 Ca 0.38 -0.39 0.35 0.00 -0.87 0.00 0.00 66.00 65.48 1ktm h PRO 974 Cb 0.61 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.77 1ktm h PRO 974 CO -0.86 1.05 0.85 0.28 -0.23 0.00 0.00 178.00 179.08 1ktm h VAL 975 N 0.24 0.37 -3.47 1.56 2.07 -0.34 -3.38 116.25 113.31 1ktm h VAL 975 Ca -0.06 -0.04 -0.66 0.00 0.82 0.00 0.00 66.70 66.75 1ktm h VAL 975 Cb 1.47 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 31.32 1ktm h VAL 975 CO 0.15 0.02 -0.68 -0.76 0.02 0.00 0.00 177.57 176.32 1ktm s LEU 976 N -8.85 3.33 0.74 2.57 2.01 -0.56 -4.99 118.68 112.94 1ktm s LEU 976 Ca -0.06 -0.14 -0.11 0.00 0.01 0.00 0.00 54.13 53.83 1ktm s LEU 976 Cb 0.25 -1.98 0.03 0.00 0.01 0.00 0.00 46.19 44.51 1ktm s LEU 976 CO 0.81 0.24 1.07 -2.16 1.01 0.00 0.00 176.35 177.33 1ktm s PRO 977 N -1.77 2.60 1.12 1.29 0.04 -1.26 -4.87 135.00 132.14 1ktm s PRO 977 Ca 0.20 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 1ktm s PRO 977 Cb -0.11 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.64 1ktm s PRO 977 CO 0.12 -1.31 0.29 0.00 0.04 0.00 0.00 177.00 176.14 1ktm n ALA 978 N -3.25 -2.70 0.00 8.56 0.00 -1.26 -3.45 120.51 118.41 1ktm n ALA 978 Ca 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1ktm n ALA 978 Cb 0.55 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.12 0.00 -0.00 0.00 2.88 -1.26 -4.66 113.62 108.46 1ktm n SER 979 Ca 0.05 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1ktm n SER 979 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.00 0.00 0.31 2.46 5.66 -1.22 -4.69 114.28 114.80 1ktm n THR 980 Ca 0.00 -0.18 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 1ktm n THR 980 Cb 0.00 0.57 -0.08 0.00 -1.55 0.00 0.00 70.33 69.27 1ktm n THR 980 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1ktm h HIS 981 N 0.00 -0.72 0.00 1.09 3.86 -1.83 0.21 115.15 117.75 1ktm h HIS 981 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ktm h HIS 981 Cb 0.16 0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1ktm h HIS 981 CO 0.00 -0.41 0.00 -2.13 0.86 0.00 0.00 177.93 176.25 1ktm n ARG 982 N -5.38 0.00 -0.34 2.45 0.63 -1.26 0.18 116.66 112.93 1ktm n ARG 982 Ca -0.12 0.70 0.13 0.00 -0.92 0.00 0.00 57.85 57.64 1ktm n ARG 982 Cb 0.34 -1.15 0.32 0.00 0.45 0.00 0.00 32.46 32.42 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ktm h GLU 983 N 0.00 0.68 -0.06 -0.14 5.08 -1.85 0.33 114.58 118.62 1ktm h GLU 983 Ca 0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ktm h GLU 983 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1ktm h GLU 983 CO 0.00 0.45 -0.17 0.82 -1.00 0.00 0.00 179.01 179.11 1ktm h ILE 984 N 0.70 0.57 -0.85 3.13 2.04 0.18 0.44 117.51 123.73 1ktm h ILE 984 Ca 0.58 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.60 1ktm h ILE 984 Cb 0.95 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 37.50 1ktm h ILE 984 CO -0.41 0.00 0.42 -0.08 0.00 0.00 0.00 178.15 178.08 1ktm h GLU 985 N -0.25 0.56 0.00 2.37 4.22 0.40 0.37 114.58 122.24 1ktm h GLU 985 Ca 0.07 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.38 1ktm h GLU 985 Cb 0.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ktm h GLU 985 CO -0.20 0.37 -0.49 0.52 -2.18 0.00 0.00 179.01 177.02 1ktm h MET 986 N 0.57 0.00 0.00 1.92 2.86 -0.60 -2.62 114.93 117.06 1ktm h MET 986 Ca 0.47 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.03 1ktm h MET 986 Cb 0.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1ktm h MET 986 CO -0.39 0.49 -0.42 0.00 1.06 0.00 0.00 176.91 177.66 1ktm h ALA 987 N 1.51 1.27 -0.01 6.32 0.00 0.39 -1.58 119.26 127.16 1ktm h ALA 987 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ktm h ALA 987 Cb 0.94 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ktm h ALA 987 CO 0.06 0.52 -0.01 1.96 0.00 0.00 0.00 179.25 181.79 1ktm h GLN 988 N 0.00 0.02 -0.39 0.00 1.08 -0.74 -1.23 115.11 113.85 1ktm h GLN 988 Ca -0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ktm h GLN 988 Cb 0.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1ktm h GLN 988 CO 0.05 0.50 0.23 -0.22 -0.95 0.00 0.00 178.83 178.44 1ktm h LYS 989 N -0.47 0.52 -0.15 1.46 3.64 -1.40 -0.39 116.57 119.79 1ktm h LYS 989 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ktm h LYS 989 Cb 0.50 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ktm h LYS 989 CO 0.00 0.38 0.01 1.25 -2.27 0.00 0.00 179.45 178.82 1ktm h LEU 990 N 0.53 0.25 0.74 5.20 6.46 -1.18 -0.05 115.31 127.27 1ktm h LEU 990 Ca 0.14 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1ktm h LEU 990 Cb -0.01 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1ktm h LEU 990 CO -0.03 0.47 -0.48 0.25 -0.62 0.00 0.00 178.44 178.03 1ktm h LEU 991 N 0.01 -1.23 -0.52 2.25 5.85 -0.42 -2.23 115.31 119.02 1ktm h LEU 991 Ca 0.04 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1ktm h LEU 991 Cb 0.34 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 1ktm h LEU 991 CO 0.01 -0.73 -0.30 -1.13 -0.34 0.00 0.00 178.44 175.95 1ktm h ASN 992 N -1.15 -1.02 -0.11 1.25 -0.73 -1.11 0.62 115.58 113.33 1ktm h ASN 992 Ca -0.10 0.20 0.01 0.00 1.87 0.00 0.00 56.30 58.29 1ktm h ASN 992 Cb 0.93 0.51 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 1ktm h ASN 992 CO 0.08 -0.29 -0.07 -1.28 -0.37 0.00 0.00 177.43 175.51 1ktm h SER 993 N -0.17 -0.24 -1.01 1.15 0.87 -0.73 0.93 113.55 114.35 1ktm h SER 993 Ca 0.22 0.04 0.24 0.00 -1.23 0.00 0.00 61.79 61.06 1ktm h SER 993 Cb 0.53 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.49 1ktm h SER 993 CO -0.61 -0.03 0.63 0.44 -0.53 0.00 0.00 176.83 176.73 1ktm h ASP 994 N -0.00 0.58 0.22 6.23 5.19 -0.78 -0.87 116.42 126.98 1ktm h ASP 994 Ca 0.02 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1ktm h ASP 994 Cb 0.05 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1ktm h ASP 994 CO -0.10 0.13 -0.29 0.25 -3.12 0.00 0.00 179.24 176.11 1ktm h LEU 995 N 0.52 -0.81 -0.77 1.55 6.46 0.30 0.38 115.31 122.94 1ktm h LEU 995 Ca 0.60 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.61 1ktm h LEU 995 Cb 1.29 0.28 -0.13 0.00 -0.73 0.00 0.00 40.66 41.37 1ktm h LEU 995 CO -0.36 -0.35 0.12 0.00 -0.62 0.00 0.00 178.44 177.22 1ktm h ALA 996 N -1.19 0.95 -0.02 1.25 0.00 0.77 1.59 119.26 122.61 1ktm h ALA 996 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ktm h ALA 996 Cb 0.47 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ktm h ALA 996 CO -0.07 -0.40 0.01 1.49 0.00 0.00 0.00 179.25 180.28 1ktm h GLU 997 N 0.19 0.00 0.03 0.00 4.57 -0.50 0.37 114.58 119.24 1ktm h GLU 997 Ca 0.44 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.59 1ktm h GLU 997 Cb 0.80 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1ktm h GLU 997 CO -0.60 0.00 -0.16 1.25 -1.18 0.00 0.00 179.01 178.32 1ktm h LEU 998 N 0.00 0.09 0.33 1.64 6.46 0.63 -2.43 115.31 122.04 1ktm h LEU 998 Ca 0.01 -0.97 -0.00 0.00 -0.12 0.00 0.00 57.88 56.80 1ktm h LEU 998 Cb 0.04 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1ktm h LEU 998 CO -0.00 1.06 -0.27 0.40 -0.62 0.00 0.00 178.44 179.00 1ktm h ILE 999 N -0.85 0.43 -0.41 4.05 1.08 0.63 0.25 117.51 122.68 1ktm h ILE 999 Ca -0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 1ktm h ILE 999 Cb 1.10 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.21 1ktm h ILE 999 CO 0.03 0.00 -0.06 -1.13 -0.69 0.00 0.00 178.15 176.30 1ktm h ASN 1000N -0.61 -0.30 -0.83 1.72 -1.24 -0.41 0.45 115.58 114.35 1ktm h ASN 1000Ca -0.02 0.11 0.15 0.00 0.71 0.00 0.00 56.30 57.25 1ktm h ASN 1000Cb 0.54 0.22 -0.10 0.00 0.73 0.00 0.00 38.32 39.72 1ktm h ASN 1000CO -0.02 -0.10 0.40 0.11 -1.29 0.00 0.00 177.43 176.52 1ktm h LYS 1001N 0.04 0.55 -0.47 6.67 1.79 -0.97 0.63 116.57 124.80 1ktm h LYS 1001Ca 0.20 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.51 1ktm h LYS 1001Cb 0.30 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1ktm h LYS 1001CO -0.39 0.36 -0.20 1.98 -1.08 0.00 0.00 179.45 180.12 1ktm h MET 1002N 0.56 0.96 -0.38 3.15 4.05 0.13 0.50 114.93 123.91 1ktm h MET 1002Ca 0.46 -0.41 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 1ktm h MET 1002Cb 0.67 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1ktm h MET 1002CO -0.38 1.08 0.33 0.87 0.23 0.00 0.00 176.91 179.03 1ktm h LYS 1003N 0.81 0.00 0.02 0.39 1.79 0.20 0.29 116.57 120.08 1ktm h LYS 1003Ca 0.11 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.22 1ktm h LYS 1003Cb 0.77 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 1ktm h LYS 1003CO 0.06 0.00 -2.17 1.28 -1.08 0.00 0.00 179.45 177.54 1ktm n LEU 1004N -4.07 1.30 0.00 2.94 4.77 -0.66 -3.95 117.00 117.33 1ktm n LEU 1004Ca 0.06 0.11 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1ktm n LEU 1004Cb 0.51 -0.15 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 1ktm n LEU 1004CO 0.32 0.62 0.68 0.00 -1.33 0.00 0.00 177.39 177.68 1ktm n ALA 1005N -2.85 1.63 0.10 -1.18 0.00 0.17 -0.95 120.51 117.43 1ktm n ALA 1005Ca -0.32 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1ktm n ALA 1005Cb 1.08 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 0.29 0.00 0.00 -0.00 -0.64 -3.25 115.11 111.51 1ktm h GLN 1006Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1ktm h GLN 1006Cb 0.17 0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.82 1ktm h GLN 1006CO 0.00 1.21 -0.40 0.94 0.00 0.00 0.00 178.83 180.57 1ktm n GLN 1007N -3.57 0.23 -0.60 1.69 7.27 -0.74 -4.40 117.38 117.26 1ktm n GLN 1007Ca -0.08 0.15 0.46 0.00 0.07 0.00 0.00 57.00 57.59 1ktm n GLN 1007Cb 1.00 -0.96 0.70 0.00 2.41 0.00 0.00 30.24 33.39 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 -3.35 0.03 -0.32 3.69 4.02 -0.13 0.84 117.16 121.94 1ktm n TYR 1008Ca -0.06 0.03 0.28 0.00 -0.01 0.00 0.00 57.90 58.15 1ktm n TYR 1008Cb 0.21 -0.46 0.53 0.00 -0.02 0.00 0.00 39.34 39.60 1ktm n TYR 1008CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1ktm h VAL 1009N 0.00 0.07 0.00 -0.72 3.04 -1.73 -0.39 116.25 116.52 1ktm h VAL 1009Ca 0.81 -0.02 -0.20 0.00 -1.01 0.00 0.00 66.70 66.27 1ktm h VAL 1009Cb 3.22 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 32.47 1ktm h VAL 1009CO -0.03 0.01 0.68 1.15 -1.01 0.00 0.00 177.57 178.38 1ktm n MET 1010N -5.24 1.56 -3.77 4.17 0.00 0.25 -4.51 117.12 109.58 1ktm n MET 1010Ca 0.35 -0.88 0.02 0.00 0.00 0.00 0.00 57.70 57.18 1ktm n MET 1010Cb 1.16 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 32.38 1ktm n MET 1010CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ktm s THR 1011N 2.11 0.00 0.35 3.17 -1.32 -0.16 -5.01 115.64 114.78 1ktm s THR 1011Ca 0.43 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.77 1ktm s THR 1011Cb 0.18 -2.39 0.11 0.00 -1.51 0.00 0.00 72.50 68.89 1ktm s THR 1011CO -0.01 0.00 1.83 0.28 -2.21 0.00 0.00 174.62 174.51 1ktm h SER 1012N 2.00 0.19 -0.82 8.08 0.02 -1.84 -2.15 113.55 119.03 1ktm h SER 1012Ca -0.27 -0.06 0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1ktm h SER 1012Cb 1.20 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1ktm h SER 1012CO 0.30 0.46 0.63 -0.07 -1.14 0.00 0.00 176.83 177.01 1ktm h LEU 1013N 0.18 0.00 -0.08 5.07 3.38 -1.91 -2.58 115.31 119.37 1ktm h LEU 1013Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ktm h LEU 1013Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ktm h LEU 1013CO 0.04 0.00 -0.05 1.67 0.09 0.00 0.00 178.44 180.19 1ktm n GLN 1014N -4.14 -0.04 -0.34 1.13 7.27 -0.81 0.13 117.38 120.57 1ktm n GLN 1014Ca 0.17 0.95 0.21 0.00 0.07 0.00 0.00 57.00 58.40 1ktm n GLN 1014Cb 0.93 -1.42 0.45 0.00 2.41 0.00 0.00 30.24 32.61 1ktm n GLN 1014CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1ktm h GLN 1015N 0.00 0.44 0.05 3.69 3.07 -1.69 0.25 115.11 120.92 1ktm h GLN 1015Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1ktm h GLN 1015Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.49 1ktm h GLN 1015CO -0.08 0.29 -0.03 1.49 0.09 0.00 0.00 178.83 180.60 1ktm h GLU 1016N 0.46 -0.07 -0.52 0.06 4.81 0.93 -2.57 114.58 117.68 1ktm h GLU 1016Ca 0.66 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.91 1ktm h GLU 1016Cb 1.46 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 1ktm h GLU 1016CO -0.45 0.06 0.35 1.88 -0.73 0.00 0.00 179.01 180.11 1ktm h TYR 1017N -0.18 0.61 -0.47 0.92 -1.99 0.37 -1.86 116.97 114.37 1ktm h TYR 1017Ca -0.01 0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1ktm h TYR 1017Cb 0.16 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.62 1ktm h TYR 1017CO -0.04 0.37 0.12 0.87 -0.00 0.00 0.00 178.16 179.48 1ktm h LYS 1018N 0.64 0.26 -0.61 4.88 6.56 -0.52 -0.46 116.57 127.32 1ktm h LYS 1018Ca 0.20 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.83 1ktm h LYS 1018Cb 0.03 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 1ktm h LYS 1018CO -0.05 0.17 0.33 0.87 -2.06 0.00 0.00 179.45 178.71 1ktm h LYS 1019N 0.27 0.61 -0.56 3.15 1.79 -1.12 -1.73 116.57 118.99 1ktm h LYS 1019Ca 0.23 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.77 1ktm h LYS 1019Cb 0.28 -0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 1ktm h LYS 1019CO -0.28 0.40 0.06 1.96 -1.08 0.00 0.00 179.45 180.52 1ktm h GLN 1020N 0.63 0.18 -0.73 3.15 1.08 -0.90 -0.19 115.11 118.33 1ktm h GLN 1020Ca 0.27 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1ktm h GLN 1020Cb 0.15 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.45 1ktm h GLN 1020CO -0.17 0.12 0.27 1.98 -0.95 0.00 0.00 178.83 180.08 1ktm h MET 1021N 0.19 0.39 -0.88 1.46 4.05 -0.40 0.24 114.93 119.97 1ktm h MET 1021Ca 0.29 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1ktm h MET 1021Cb 0.43 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1ktm h MET 1021CO -0.42 0.26 0.58 1.25 0.23 0.00 0.00 176.91 178.81 1ktm h LEU 1022N 0.40 1.00 -0.58 3.39 6.46 -0.84 0.81 115.31 125.95 1ktm h LEU 1022Ca 0.40 -0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.26 1ktm h LEU 1022Cb 0.62 -0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 40.20 1ktm h LEU 1022CO -0.42 0.72 -0.09 0.74 -0.62 0.00 0.00 178.44 178.77 1ktm h THR 1023N 1.18 0.46 0.08 1.05 2.02 0.21 0.73 112.91 118.64 1ktm h THR 1023Ca 0.33 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.49 1ktm h THR 1023Cb -0.12 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1ktm h THR 1023CO -0.07 0.01 -0.04 0.00 0.37 0.00 0.00 175.52 175.78 1ktm h ALA 1024N 1.56 -0.11 -0.85 6.16 0.00 -1.19 -2.72 119.26 122.10 1ktm h ALA 1024Ca 0.29 -0.28 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1ktm h ALA 1024Cb 0.45 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ktm h ALA 1024CO -0.56 -0.23 0.80 0.00 0.00 0.00 0.00 179.25 179.26 1ktm h ALA 1025N -0.03 2.69 0.25 0.00 0.00 -0.25 1.95 119.26 123.88 1ktm h ALA 1025Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ktm h ALA 1025Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ktm h ALA 1025CO 0.02 -1.23 -0.12 1.25 0.00 0.00 0.00 179.25 179.16 1ktm h HIS 1026N 0.00 -0.32 -0.40 0.00 2.76 0.57 -3.00 115.15 114.77 1ktm h HIS 1026Ca 0.40 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.52 1ktm h HIS 1026Cb 1.99 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 31.04 1ktm h HIS 1026CO 0.00 -0.08 0.05 0.00 -1.30 0.00 0.00 177.93 176.61 1ktm h ALA 1027N -0.87 1.35 -0.06 5.26 0.00 -0.41 -2.85 119.26 121.68 1ktm h ALA 1027Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ktm h ALA 1027Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1ktm h ALA 1027CO 0.06 0.46 -0.36 -0.07 0.00 0.00 0.00 179.25 179.34 1ktm h LEU 1028N 0.59 -1.13 -1.50 0.00 3.38 0.29 1.83 115.31 118.78 1ktm h LEU 1028Ca 0.13 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.47 1ktm h LEU 1028Cb 0.29 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1ktm h LEU 1028CO 0.00 -0.33 0.65 0.00 0.09 0.00 0.00 178.44 178.85 1ktm h ALA 1029N -0.72 2.30 -0.71 1.53 0.00 -1.40 1.47 119.26 121.73 1ktm h ALA 1029Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ktm h ALA 1029Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ktm h ALA 1029CO -0.27 -0.64 0.00 0.28 0.00 0.00 0.00 179.25 178.62 1ktm n VAL 1030N -4.53 0.00 -0.33 0.00 0.31 0.77 -0.53 118.33 114.01 1ktm n VAL 1030Ca 0.22 0.86 0.22 0.00 -0.01 0.00 0.00 64.34 65.63 1ktm n VAL 1030Cb 0.82 -1.74 0.44 0.00 -0.91 0.00 0.00 33.84 32.46 1ktm n VAL 1030CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1ktm h ASP 1031N 0.00 0.53 -0.39 4.52 3.04 0.30 1.96 116.42 126.38 1ktm h ASP 1031Ca 0.00 0.18 -0.07 0.00 -3.24 0.00 0.00 57.03 53.90 1ktm h ASP 1031Cb 0.00 0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.39 1ktm h ASP 1031CO 0.00 -0.07 0.02 0.00 -2.04 0.00 0.00 179.24 177.15 1ktm h ALA 1032N 1.81 1.16 0.06 4.15 0.00 0.20 -1.56 119.26 125.09 1ktm h ALA 1032Ca 0.70 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ktm h ALA 1032Cb 1.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ktm h ALA 1032CO -0.57 0.55 -0.03 0.87 0.00 0.00 0.00 179.25 180.06 1ktm h LYS 1033N 0.71 -0.08 -1.01 0.00 1.79 0.53 -3.00 116.57 115.51 1ktm h LYS 1033Ca 0.14 0.01 0.28 0.00 -2.18 0.00 0.00 60.65 58.90 1ktm h LYS 1033Cb 0.41 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 1ktm h LYS 1033CO 0.01 0.45 0.71 -0.97 -1.08 0.00 0.00 179.45 178.57 1ktm h ASN 1034N -0.69 0.11 0.27 0.86 -1.24 0.60 1.58 115.58 117.08 1ktm h ASN 1034Ca -0.01 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1ktm h ASN 1034Cb 0.57 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1ktm h ASN 1034CO 0.01 0.03 -0.13 0.25 -1.29 0.00 0.00 177.43 176.31 1ktm h LEU 1035N 0.10 -0.31 -0.67 0.34 6.46 -1.15 -2.04 115.31 118.05 1ktm h LEU 1035Ca 0.50 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.25 1ktm h LEU 1035Cb 1.79 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.77 1ktm h LEU 1035CO -0.07 -0.21 0.33 0.25 -0.62 0.00 0.00 178.44 178.12 1ktm h LEU 1036N -0.37 0.87 -0.95 2.25 5.85 -1.19 -2.31 115.31 119.45 1ktm h LEU 1036Ca -0.04 -0.12 0.29 0.00 0.84 0.00 0.00 57.88 58.85 1ktm h LEU 1036Cb 0.28 -0.22 -0.17 0.00 0.37 0.00 0.00 40.66 40.92 1ktm h LEU 1036CO 0.06 0.74 0.19 -0.78 -0.34 0.00 0.00 178.44 178.31 1ktm h ASP 1037N 0.93 -0.18 -0.45 1.25 3.58 0.22 1.61 116.42 123.39 1ktm h ASP 1037Ca 0.23 0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 1ktm h ASP 1037Cb 0.10 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1ktm h ASP 1037CO -0.03 -0.30 0.08 0.58 -2.88 0.00 0.00 179.24 176.69 1ktm h VAL 1038N 0.07 1.24 -0.48 2.25 2.07 -0.79 -2.74 116.25 117.87 1ktm h VAL 1038Ca 0.63 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1ktm h VAL 1038Cb 1.38 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1ktm h VAL 1038CO -0.81 0.31 0.13 0.40 0.02 0.00 0.00 177.57 177.62 1ktm h ILE 1039N 0.61 0.78 -0.96 4.57 2.04 0.23 0.60 117.51 125.38 1ktm h ILE 1039Ca 0.14 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1ktm h ILE 1039Cb 0.37 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 1ktm h ILE 1039CO 0.01 0.05 0.56 -0.78 0.00 0.00 0.00 178.15 177.99 1ktm h ASP 1040N 0.28 0.73 0.30 1.72 3.58 -0.33 1.01 116.42 123.69 1ktm h ASP 1040Ca 0.24 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 1ktm h ASP 1040Cb 0.29 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1ktm h ASP 1040CO -0.28 0.28 -0.08 1.56 -2.88 0.00 0.00 179.24 177.84 1ktm h GLN 1041N 0.75 0.00 0.16 0.28 4.20 -0.64 -2.91 115.11 116.95 1ktm h GLN 1041Ca 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.24 1ktm h GLN 1041Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1ktm h GLN 1041CO -0.37 0.08 -0.08 0.00 -0.67 0.00 0.00 178.83 177.79 1ktm h ALA 1042N 1.92 -0.22 -0.78 3.87 0.00 0.16 -3.05 119.26 121.16 1ktm h ALA 1042Ca -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ktm h ALA 1042Cb 0.25 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1ktm h ALA 1042CO 0.01 -0.22 -0.43 0.54 0.00 0.00 0.00 179.25 179.16 1ktm n ARG 1043N -4.91 -0.31 -0.15 0.00 1.74 -0.49 0.18 116.66 112.73 1ktm n ARG 1043Ca -0.04 1.18 -0.03 0.00 -0.77 0.00 0.00 57.85 58.19 1ktm n ARG 1043Cb 0.16 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1ktm n ARG 1043CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 1ktm h LEU 1044N 0.00 -0.27 -1.73 0.55 8.10 -1.66 0.66 115.31 120.97 1ktm h LEU 1044Ca 0.16 0.12 0.27 0.00 0.11 0.00 0.00 57.88 58.54 1ktm h LEU 1044Cb 0.35 0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 40.76 1ktm h LEU 1044CO -0.74 -0.09 0.86 0.50 -4.11 0.00 0.00 178.44 174.86 1ktm h LYS 1045N 0.08 0.00 0.02 0.17 3.11 0.21 0.77 116.57 120.92 1ktm h LYS 1045Ca 0.23 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.92 1ktm h LYS 1045Cb 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 1ktm h LYS 1045CO -0.42 0.00 -0.80 1.98 -2.81 0.00 0.00 179.45 177.40 1ktm h MET 1046N 0.00 0.04 0.82 1.90 4.05 0.13 -3.38 114.93 118.49 1ktm h MET 1046Ca 0.45 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.76 1ktm h MET 1046Cb 2.16 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 33.00 1ktm h MET 1046CO -0.00 1.03 -0.39 0.82 0.23 0.00 0.00 176.91 178.60 1ktm h ILE 1047N -0.89 0.20 0.00 1.77 5.03 0.10 -2.96 117.51 120.76 1ktm h ILE 1047Ca -0.21 -0.01 -0.68 0.00 -0.12 0.00 0.00 64.86 63.85 1ktm h ILE 1047Cb 1.26 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 35.24 1ktm h ILE 1047CO -0.09 0.00 3.22 -1.54 -0.68 0.00 0.00 178.15 179.06 1ktm n SER 1048N -5.56 5.07 0.01 1.72 3.41 0.23 -3.78 113.62 114.72 1ktm n SER 1048Ca -0.15 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1ktm n SER 1048Cb 0.44 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1ktm n SER 1048CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ktm n GLN 1049N 5.44 0.00 -3.16 4.33 1.13 -1.20 -4.79 117.38 119.13 1ktm n GLN 1049Ca 0.58 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.67 1ktm n GLN 1049Cb 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.68 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ktm s SER 1050N -1.07 -1.42 -0.00 1.08 0.15 -1.12 -5.04 113.70 106.27 1ktm s SER 1050Ca 0.00 0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.69 1ktm s SER 1050Cb 0.00 1.99 -0.18 0.00 -1.71 0.00 0.00 66.02 66.11 1ktm s SER 1050CO 0.00 -0.30 1.30 0.03 1.20 0.00 0.00 173.24 175.47 1ktm h ARG 1051N 8.01 -0.12 -6.91 5.44 3.08 -1.76 -3.44 114.38 118.68 1ktm h ARG 1051Ca -0.06 0.01 -0.49 0.00 0.07 0.00 0.00 59.98 59.51 1ktm h ARG 1051Cb 1.18 0.03 0.02 0.00 0.08 0.00 0.00 29.97 31.27 1ktm h ARG 1051CO 0.18 0.25 0.43 -1.25 -1.07 0.00 0.00 179.97 178.51 1ktm s PRO 1052N -4.58 4.33 0.00 0.04 0.04 -1.26 -5.09 135.00 128.48 1ktm s PRO 1052Ca -0.15 1.61 0.31 0.00 0.04 0.00 0.00 61.00 62.81 1ktm s PRO 1052Cb 0.02 -2.77 1.75 0.00 0.04 0.00 0.00 34.50 33.55 1ktm s PRO 1052CO 0.62 -0.01 2.14 -2.39 0.04 0.00 0.00 177.00 177.40