#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 0.13 -2.59 -5.12 0.00 -1.26 -5.04 120.51 106.62 1ktm n ALA 916 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1ktm n ALA 916 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1ktm n ALA 916 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ktm s ASN 917 N -1.59 6.61 -0.25 0.00 -0.87 -1.26 -5.01 114.94 112.58 1ktm s ASN 917 Ca 0.10 0.44 0.02 0.00 -1.57 0.00 0.00 52.86 51.85 1ktm s ASN 917 Cb -0.01 -2.44 0.06 0.00 -0.02 0.00 0.00 41.25 38.85 1ktm s ASN 917 CO 0.06 -0.83 -0.08 -0.76 -2.57 0.00 0.00 177.10 172.93 1ktm s LEU 918 N 3.35 3.16 0.00 0.60 1.43 -1.26 -5.12 118.68 120.85 1ktm s LEU 918 Ca 0.35 -1.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1ktm s LEU 918 Cb -0.12 -1.41 0.07 0.00 0.03 0.00 0.00 46.19 44.76 1ktm s LEU 918 CO 0.19 -0.22 0.15 0.47 0.23 0.00 0.00 176.35 177.17 1ktm n ASP 919 N 4.52 -1.99 -1.73 2.29 8.00 -1.26 -4.78 116.55 121.60 1ktm n ASP 919 Ca -0.12 -0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.09 1ktm n ASP 919 Cb 0.43 -0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 1ktm n ASP 919 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ktm n ARG 920 N -1.97 1.65 -0.07 -1.24 1.74 -1.26 -4.23 116.66 111.29 1ktm n ARG 920 Ca 0.02 -1.37 -0.05 0.00 -0.77 0.00 0.00 57.85 55.68 1ktm n ARG 920 Cb 0.11 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1ktm n ARG 920 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ktm h SER 921 N 1.03 0.00 0.52 0.55 4.64 -2.00 -3.10 113.55 115.19 1ktm h SER 921 Ca 0.27 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1ktm h SER 921 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ktm h SER 921 CO 0.61 0.74 0.00 -0.55 -0.87 0.00 0.00 176.83 176.76 1ktm h ASN 922 N -1.00 0.00 0.24 4.97 7.08 -1.93 -1.26 115.58 123.67 1ktm h ASN 922 Ca -0.03 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.97 1ktm h ASN 922 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 1ktm h ASN 922 CO -0.02 0.00 -0.88 -0.78 -2.08 0.00 0.00 177.43 173.67 1ktm h ASP 923 N 0.00 0.59 0.47 6.14 3.58 -1.79 -1.51 116.42 123.90 1ktm h ASP 923 Ca 0.00 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1ktm h ASP 923 Cb 0.26 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1ktm h ASP 923 CO 0.00 1.22 -0.23 0.50 -2.88 0.00 0.00 179.24 177.86 1ktm h LYS 924 N 0.29 -0.61 -0.56 0.28 1.63 -1.15 0.80 116.57 117.25 1ktm h LYS 924 Ca -0.07 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1ktm h LYS 924 Cb 1.50 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 33.22 1ktm h LYS 924 CO 0.16 -0.35 0.31 0.28 -3.45 0.00 0.00 179.45 176.40 1ktm h VAL 925 N -0.75 1.00 0.00 2.00 2.07 -1.58 0.16 116.25 119.16 1ktm h VAL 925 Ca -0.06 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1ktm h VAL 925 Cb 0.54 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1ktm h VAL 925 CO 0.11 0.11 -0.25 1.88 0.02 0.00 0.00 177.57 179.43 1ktm h TYR 926 N 0.60 0.00 0.21 1.57 -1.99 -1.08 -1.89 116.97 114.40 1ktm h TYR 926 Ca 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.96 1ktm h TYR 926 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1ktm h TYR 926 CO -0.08 0.25 -0.10 0.93 -0.00 0.00 0.00 178.16 179.16 1ktm h GLU 927 N 0.00 -0.28 -0.75 4.88 4.39 0.23 -3.01 114.58 120.04 1ktm h GLU 927 Ca -0.00 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.86 1ktm h GLU 927 Cb 0.46 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.04 1ktm h GLU 927 CO 0.03 -0.18 -0.23 -0.91 -1.16 0.00 0.00 179.01 176.56 1ktm h ASN 928 N -0.65 -0.85 -0.69 1.42 4.21 -0.77 1.06 115.58 119.32 1ktm h ASN 928 Ca -0.03 0.24 0.10 0.00 1.21 0.00 0.00 56.30 57.81 1ktm h ASN 928 Cb 0.22 0.52 -0.12 0.00 -1.12 0.00 0.00 38.32 37.82 1ktm h ASN 928 CO 0.05 -0.27 -0.45 0.58 -1.29 0.00 0.00 177.43 176.06 1ktm h VAL 929 N -0.03 0.06 0.00 2.81 2.07 -1.44 1.08 116.25 120.81 1ktm h VAL 929 Ca 0.34 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.82 1ktm h VAL 929 Cb 0.57 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ktm h VAL 929 CO -0.79 0.00 -0.21 0.71 0.02 0.00 0.00 177.57 177.30 1ktm h THR 930 N -0.17 0.56 0.00 2.57 1.35 -0.44 -2.46 112.91 114.32 1ktm h THR 930 Ca 0.20 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ktm h THR 930 Cb 0.55 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1ktm h THR 930 CO -0.76 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 175.32 1ktm n GLY 931 N -0.00 -2.44 0.35 5.82 0.00 0.35 0.15 105.19 109.42 1ktm n GLY 931 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.76 0.88 0.99 -0.00 -1.08 -0.88 115.31 115.98 1ktm h LEU 932 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1ktm h LEU 932 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1ktm h LEU 932 CO 0.00 0.24 -0.42 0.58 -0.00 0.00 0.00 178.44 178.84 1ktm h VAL 933 N 0.73 0.12 -1.38 0.15 2.07 -1.44 0.85 116.25 117.34 1ktm h VAL 933 Ca 0.59 -0.03 0.45 0.00 0.82 0.00 0.00 66.70 68.53 1ktm h VAL 933 Cb 0.97 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.74 1ktm h VAL 933 CO -0.40 0.00 0.91 0.11 0.02 0.00 0.00 177.57 178.21 1ktm h LYS 934 N -1.20 0.07 0.07 1.57 1.57 0.27 1.02 116.57 119.93 1ktm h LYS 934 Ca -0.12 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1ktm h LYS 934 Cb 0.91 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.21 1ktm h LYS 934 CO 0.20 0.04 -0.52 0.00 -0.57 0.00 0.00 179.45 178.60 1ktm h ALA 935 N 1.54 -0.02 -0.92 3.86 0.00 -0.59 -2.40 119.26 120.73 1ktm h ALA 935 Ca 0.83 -0.66 0.38 0.00 0.00 0.00 0.00 54.91 55.46 1ktm h ALA 935 Cb 2.70 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 20.43 1ktm h ALA 935 CO -0.38 0.25 0.47 0.28 0.00 0.00 0.00 179.25 179.88 1ktm n VAL 936 N -4.33 -0.38 -0.01 0.00 0.31 0.34 0.18 118.33 114.44 1ktm n VAL 936 Ca -0.14 1.87 -0.00 0.00 -0.01 0.00 0.00 64.34 66.06 1ktm n VAL 936 Cb 0.68 -3.02 -0.00 0.00 -0.91 0.00 0.00 33.84 30.58 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 -0.85 2.52 2.04 -1.37 -3.33 117.51 116.52 1ktm h ILE 937 Ca 0.77 -0.19 0.23 0.00 1.00 0.00 0.00 64.86 66.66 1ktm h ILE 937 Cb 2.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.94 1ktm h ILE 937 CO -0.71 0.00 -0.01 1.21 0.00 0.00 0.00 178.15 178.64 1ktm n GLU 938 N -2.57 -0.07 -0.19 2.37 4.07 -0.51 0.24 120.64 123.98 1ktm n GLU 938 Ca -0.00 1.28 -0.13 0.00 -0.06 0.00 0.00 57.16 58.25 1ktm n GLU 938 Cb 0.01 -2.02 -0.10 0.00 -0.06 0.00 0.00 31.44 29.28 1ktm n GLU 938 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1ktm h MET 939 N 0.00 -0.30 -1.03 5.31 2.86 0.18 0.47 114.93 122.41 1ktm h MET 939 Ca 0.50 0.02 0.29 0.00 -2.06 0.00 0.00 59.70 58.45 1ktm h MET 939 Cb 1.01 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.61 1ktm h MET 939 CO -0.81 -0.20 0.62 0.66 1.06 0.00 0.00 176.91 178.24 1ktm h SER 940 N -0.31 0.55 0.53 1.22 4.64 -0.31 1.59 113.55 121.45 1ktm h SER 940 Ca 0.09 0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1ktm h SER 940 Cb 0.55 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1ktm h SER 940 CO -0.65 -0.00 -0.25 -1.28 -0.87 0.00 0.00 176.83 173.77 1ktm h SER 941 N 0.42 -0.60 -0.41 4.97 0.87 0.10 -2.71 113.55 116.19 1ktm h SER 941 Ca 0.68 0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 61.05 1ktm h SER 941 Cb 1.53 0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 63.53 1ktm h SER 941 CO -0.48 -0.43 0.26 2.29 -0.53 0.00 0.00 176.83 177.94 1ktm n LYS 942 N -3.92 1.57 -0.08 2.24 -0.00 -0.40 -4.06 118.16 113.51 1ktm n LYS 942 Ca -0.09 -1.26 -0.06 0.00 -0.00 0.00 0.00 58.31 56.90 1ktm n LYS 942 Cb 0.28 -1.51 -0.02 0.00 -0.00 0.00 0.00 35.03 33.79 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 -0.17 1.40 -0.32 0.58 2.08 0.53 -2.41 119.36 121.05 1ktm n ILE 943 Ca 0.25 0.20 0.06 0.00 0.56 0.00 0.00 62.75 63.81 1ktm n ILE 943 Cb 0.98 -2.35 0.15 0.00 -0.75 0.00 0.00 39.64 37.67 1ktm n ILE 943 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1ktm h GLN 944 N -0.96 0.01 -0.02 0.38 4.20 -1.70 0.10 115.11 117.11 1ktm h GLN 944 Ca 0.00 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1ktm h GLN 944 Cb 0.67 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ktm h GLN 944 CO 0.00 0.00 -0.36 -1.00 -0.67 0.00 0.00 178.83 176.81 1ktm h PRO 945 N 0.01 0.28 -5.35 1.46 0.13 -1.80 -3.45 132.00 123.27 1ktm h PRO 945 Ca 0.46 -0.27 -0.75 0.00 -0.87 0.00 0.00 66.00 64.57 1ktm h PRO 945 Cb 0.74 0.07 0.03 0.00 0.13 0.00 0.00 31.00 31.97 1ktm h PRO 945 CO -0.92 0.96 0.36 0.00 -0.23 0.00 0.00 178.00 178.17 1ktm n ALA 946 N -2.54 -2.16 -1.52 -0.56 0.00 0.02 -4.90 120.51 108.84 1ktm n ALA 946 Ca -0.09 0.49 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1ktm n ALA 946 Cb 0.54 -1.65 0.21 0.00 0.00 0.00 0.00 19.45 18.56 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 1.47 -0.23 0.16 0.00 0.04 -1.26 -4.71 135.00 130.47 1ktm s PRO 947 Ca 0.88 -0.23 0.24 0.00 0.04 0.00 0.00 61.00 61.93 1ktm s PRO 947 Cb -1.25 -1.73 0.91 0.00 0.04 0.00 0.00 34.50 32.48 1ktm s PRO 947 CO 0.63 -3.03 1.73 -0.35 0.04 0.00 0.00 177.00 176.03 1ktm n PRO 948 N -4.24 0.16 0.02 0.56 -0.04 -1.26 0.66 135.00 130.86 1ktm n PRO 948 Ca 0.14 0.26 0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1ktm n PRO 948 Cb 0.59 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.03 0.63 -0.00 0.54 1.02 -1.26 -2.98 120.64 116.56 1ktm n GLU 949 Ca 0.04 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.43 1ktm n GLU 949 Cb 0.31 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 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 -2.83 1.67 -0.00 3.49 4.07 -1.07 -4.46 120.64 121.51 1ktm n GLU 950 Ca -0.10 -0.02 -0.21 0.00 -0.06 0.00 0.00 57.16 56.77 1ktm n GLU 950 Cb 0.83 -1.26 -0.14 0.00 -0.06 0.00 0.00 31.44 30.81 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 -1.45 1.20 -0.24 4.31 4.19 0.21 -2.77 117.16 122.61 1ktm n TYR 951 Ca 0.02 0.25 0.03 0.00 3.31 0.00 0.00 57.90 61.51 1ktm n TYR 951 Cb 0.26 -1.16 0.11 0.00 0.49 0.00 0.00 39.34 39.05 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 0.34 -0.01 2.97 2.07 -1.73 -1.47 116.25 118.48 1ktm h VAL 952 Ca -0.43 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1ktm h VAL 952 Cb 2.02 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1ktm h VAL 952 CO 0.08 0.01 -0.19 1.55 0.02 0.00 0.00 177.57 179.04 1ktm h PRO 953 N 0.05 0.15 -0.74 1.57 0.13 -1.79 -3.01 132.00 128.36 1ktm h PRO 953 Ca 0.37 -0.14 0.11 0.00 -0.87 0.00 0.00 66.00 65.46 1ktm h PRO 953 Cb 0.60 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.66 1ktm h PRO 953 CO -0.67 0.86 -0.31 -0.12 -0.23 0.00 0.00 178.00 177.54 1ktm n MET 954 N -4.56 -0.19 0.13 0.86 1.56 -0.63 0.70 117.12 114.99 1ktm n MET 954 Ca -0.09 1.14 -0.13 0.00 -0.27 0.00 0.00 57.70 58.34 1ktm n MET 954 Cb 0.46 -1.69 -0.08 0.00 2.15 0.00 0.00 33.22 34.06 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 0.81 -1.08 1.12 2.07 -1.45 -2.69 116.25 115.02 1ktm h VAL 955 Ca 0.24 -0.53 0.37 0.00 0.82 0.00 0.00 66.70 67.60 1ktm h VAL 955 Cb 0.43 1.11 -0.15 0.00 -1.52 0.00 0.00 31.29 31.16 1ktm h VAL 955 CO -0.73 0.11 0.64 0.11 0.02 0.00 0.00 177.57 177.72 1ktm h LYS 956 N -0.62 0.19 0.73 1.57 1.79 0.23 0.15 116.57 120.61 1ktm h LYS 956 Ca -0.03 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1ktm h LYS 956 Cb 0.44 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1ktm h LYS 956 CO 0.06 0.13 -0.39 0.93 -1.08 0.00 0.00 179.45 179.10 1ktm h GLU 957 N 0.20 -0.99 -1.00 3.15 3.07 0.60 -2.26 114.58 117.35 1ktm h GLU 957 Ca 0.77 0.07 0.42 0.00 -0.50 0.00 0.00 59.36 60.12 1ktm h GLU 957 Cb 2.02 0.23 -0.18 0.00 -0.84 0.00 0.00 28.75 29.98 1ktm h GLU 957 CO -0.58 -0.66 0.54 1.55 -1.40 0.00 0.00 179.01 178.47 1ktm n VAL 958 N -4.88 -0.41 0.04 3.13 3.14 0.46 0.15 118.33 119.95 1ktm n VAL 958 Ca -0.13 2.01 -0.11 0.00 -2.96 0.00 0.00 64.34 63.15 1ktm n VAL 958 Cb 0.41 -3.26 -0.06 0.00 -1.06 0.00 0.00 33.84 29.87 1ktm n VAL 958 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1ktm h GLY 959 N 0.00 -0.03 0.25 7.55 0.00 -0.84 -1.39 103.07 108.61 1ktm h GLY 959 Ca 0.84 0.05 0.08 0.00 0.00 0.00 0.00 47.33 48.31 1ktm h GLY 959 CO -0.76 -0.05 -0.06 -2.00 0.00 0.00 0.00 176.54 173.67 1ktm h LEU 960 N -0.07 -0.29 -0.17 3.11 6.46 0.19 0.44 115.31 124.97 1ktm h LEU 960 Ca 0.03 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.95 1ktm h LEU 960 Cb 0.10 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.19 1ktm h LEU 960 CO -0.06 -0.10 -0.28 0.00 -0.62 0.00 0.00 178.44 177.37 1ktm h ALA 961 N 1.39 -0.27 -0.27 1.25 0.00 -0.95 0.16 119.26 120.57 1ktm h ALA 961 Ca 0.20 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ktm h ALA 961 Cb 0.30 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1ktm h ALA 961 CO -0.39 -0.74 -0.01 -0.07 0.00 0.00 0.00 179.25 178.05 1ktm h LEU 962 N -0.33 -0.12 -0.38 0.00 3.38 -0.14 0.32 115.31 118.04 1ktm h LEU 962 Ca 0.11 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ktm h LEU 962 Cb 0.51 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1ktm h LEU 962 CO -0.36 -0.03 -0.28 0.03 0.09 0.00 0.00 178.44 177.89 1ktm h ARG 963 N 0.07 -0.21 -0.71 1.13 2.47 0.10 0.11 114.38 117.34 1ktm h ARG 963 Ca 0.13 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1ktm h ARG 963 Cb 0.17 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1ktm h ARG 963 CO -0.22 -0.14 0.37 1.15 0.56 0.00 0.00 179.97 181.68 1ktm h THR 964 N -0.22 1.23 -0.39 2.04 2.02 -0.12 -2.63 112.91 114.84 1ktm h THR 964 Ca 0.18 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.83 1ktm h THR 964 Cb 0.51 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 1ktm h THR 964 CO -0.51 0.26 -0.12 0.25 0.37 0.00 0.00 175.52 175.77 1ktm h LEU 965 N 0.99 -0.44 -0.32 2.58 7.12 0.15 0.69 115.31 126.08 1ktm h LEU 965 Ca 0.25 0.13 0.06 0.00 0.13 0.00 0.00 57.88 58.44 1ktm h LEU 965 Cb 0.08 0.27 -0.08 0.00 -0.53 0.00 0.00 40.66 40.40 1ktm h LEU 965 CO -0.04 -0.16 -0.45 -0.07 -0.13 0.00 0.00 178.44 177.60 1ktm h LEU 966 N -0.03 -1.47 -0.36 2.25 4.07 -0.50 1.13 115.31 120.39 1ktm h LEU 966 Ca 0.19 0.21 0.03 0.00 0.08 0.00 0.00 57.88 58.39 1ktm h LEU 966 Cb 0.32 0.62 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 1ktm h LEU 966 CO -0.42 -0.39 0.18 0.00 -1.08 0.00 0.00 178.44 176.72 1ktm h ALA 967 N 0.25 0.45 -0.67 1.53 0.00 -1.15 -1.82 119.26 117.85 1ktm h ALA 967 Ca 0.11 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1ktm h ALA 967 Cb 0.60 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1ktm h ALA 967 CO -0.53 -0.19 0.29 1.15 0.00 0.00 0.00 179.25 179.97 1ktm h THR 968 N 0.37 0.79 -0.52 0.00 2.02 0.22 -0.60 112.91 115.19 1ktm h THR 968 Ca 0.15 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1ktm h THR 968 Cb 0.06 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 1ktm h THR 968 CO -0.11 0.09 0.20 0.58 0.37 0.00 0.00 175.52 176.65 1ktm h VAL 969 N 0.49 0.84 -1.01 3.16 2.07 0.20 0.73 116.25 122.73 1ktm h VAL 969 Ca 0.34 -0.13 0.24 0.00 0.82 0.00 0.00 66.70 67.96 1ktm h VAL 969 Cb 0.41 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 1ktm h VAL 969 CO -0.30 0.07 0.61 -0.78 0.02 0.00 0.00 177.57 177.19 1ktm h ASP 970 N 0.39 0.65 1.08 0.57 3.58 -0.44 1.75 116.42 124.01 1ktm h ASP 970 Ca 0.25 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.76 1ktm h ASP 970 Cb 0.26 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1ktm h ASP 970 CO -0.24 0.13 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.65 1ktm h GLU 971 N 0.58 0.00 0.01 0.28 5.08 -0.59 -2.95 114.58 116.99 1ktm h GLU 971 Ca 0.62 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.73 1ktm h GLU 971 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1ktm h GLU 971 CO -0.42 0.27 -1.32 1.03 -1.00 0.00 0.00 179.01 177.56 1ktm h SER 972 N 0.00 0.04 -0.92 1.42 0.87 0.32 -3.26 113.55 112.02 1ktm h SER 972 Ca -0.00 -0.05 0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1ktm h SER 972 Cb 0.88 -0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 62.67 1ktm h SER 972 CO 0.03 1.04 -0.30 -0.11 -0.53 0.00 0.00 176.83 176.97 1ktm n LEU 973 N -3.24 -0.48 0.05 2.23 0.00 0.32 0.96 117.00 116.84 1ktm n LEU 973 Ca -0.08 1.59 -0.14 0.00 0.00 0.00 0.00 56.01 57.38 1ktm n LEU 973 Cb 0.99 -0.42 -0.04 0.00 0.00 0.00 0.00 43.42 43.95 1ktm n LEU 973 CO 0.47 -1.48 0.22 1.55 0.00 0.00 0.00 177.39 178.15 1ktm h PRO 974 N 0.00 0.52 -1.13 1.96 0.13 -1.71 -3.12 132.00 128.64 1ktm h PRO 974 Ca 0.37 -0.50 0.31 0.00 -0.87 0.00 0.00 66.00 65.32 1ktm h PRO 974 Cb 0.60 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 31.79 1ktm h PRO 974 CO -0.93 1.13 0.77 0.28 -0.23 0.00 0.00 178.00 179.02 1ktm h VAL 975 N 0.32 0.44 -2.91 1.56 2.07 0.56 -3.39 116.25 114.89 1ktm h VAL 975 Ca -0.07 -0.07 -0.61 0.00 0.82 0.00 0.00 66.70 66.77 1ktm h VAL 975 Cb 1.51 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1ktm h VAL 975 CO 0.16 0.04 -0.54 -0.76 0.02 0.00 0.00 177.57 176.49 1ktm s LEU 976 N -9.08 4.07 0.38 2.57 2.01 0.06 -4.97 118.68 113.73 1ktm s LEU 976 Ca -0.07 0.09 -0.25 0.00 0.01 0.00 0.00 54.13 53.91 1ktm s LEU 976 Cb 0.25 -2.70 -0.09 0.00 0.01 0.00 0.00 46.19 43.66 1ktm s LEU 976 CO 0.80 0.13 1.06 -2.16 1.01 0.00 0.00 176.35 177.20 1ktm s PRO 977 N -2.68 4.23 -0.29 1.29 0.04 -1.26 -4.88 135.00 131.44 1ktm s PRO 977 Ca 0.32 1.56 -0.34 0.00 0.04 0.00 0.00 61.00 62.58 1ktm s PRO 977 Cb -0.12 -2.64 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1ktm s PRO 977 CO 0.25 -0.09 2.14 0.00 0.04 0.00 0.00 177.00 179.33 1ktm n ALA 978 N 0.11 1.13 0.00 8.56 0.00 -1.26 -3.50 120.51 125.55 1ktm n ALA 978 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ktm n ALA 978 Cb 0.49 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1ktm n ALA 978 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ktm n SER 979 N 9.57 0.00 -0.55 0.00 3.41 -1.26 -4.94 113.62 119.86 1ktm n SER 979 Ca 0.36 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 1ktm n SER 979 Cb 0.27 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1ktm n SER 979 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ktm n THR 980 N 0.00 0.01 0.00 6.66 5.66 -1.23 -4.71 114.28 120.67 1ktm n THR 980 Ca 0.00 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1ktm n THR 980 Cb 0.00 1.27 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1ktm n THR 980 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1ktm n HIS 981 N 0.77 0.00 -0.10 1.09 8.25 -1.26 0.99 115.22 124.95 1ktm n HIS 981 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1ktm n HIS 981 Cb 0.34 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1ktm n HIS 981 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ktm n ARG 982 N -1.74 -0.11 -0.30 -0.41 1.74 -1.26 0.13 116.66 114.71 1ktm n ARG 982 Ca 0.00 0.96 0.14 0.00 -0.77 0.00 0.00 57.85 58.18 1ktm n ARG 982 Cb 0.00 -1.43 0.32 0.00 -1.02 0.00 0.00 32.46 30.33 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ktm h GLU 983 N 0.00 0.25 -0.70 5.56 5.08 -1.83 0.91 114.58 123.85 1ktm h GLU 983 Ca 0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ktm h GLU 983 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1ktm h GLU 983 CO -0.23 0.17 0.32 0.82 -1.00 0.00 0.00 179.01 179.09 1ktm h ILE 984 N 0.26 1.24 -0.44 3.13 2.04 0.81 0.18 117.51 124.73 1ktm h ILE 984 Ca 0.58 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ktm h ILE 984 Cb 1.18 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1ktm h ILE 984 CO -0.62 0.28 0.27 -0.33 0.00 0.00 0.00 178.15 177.74 1ktm h GLU 985 N 0.98 0.59 0.00 2.37 3.07 0.80 -1.42 114.58 120.97 1ktm h GLU 985 Ca 0.24 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1ktm h GLU 985 Cb 0.14 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1ktm h GLU 985 CO -0.03 0.43 -0.06 0.52 -1.40 0.00 0.00 179.01 178.48 1ktm h MET 986 N 0.58 0.00 0.00 2.33 2.86 -0.32 -2.47 114.93 117.92 1ktm h MET 986 Ca 0.16 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 1ktm h MET 986 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1ktm h MET 986 CO -0.03 0.06 -0.64 0.00 1.06 0.00 0.00 176.91 177.36 1ktm h ALA 987 N 1.94 0.90 -0.09 6.32 0.00 0.38 -2.44 119.26 126.28 1ktm h ALA 987 Ca -0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 1ktm h ALA 987 Cb 0.61 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ktm h ALA 987 CO 0.01 0.79 -0.49 1.96 0.00 0.00 0.00 179.25 181.52 1ktm h GLN 988 N 0.00 0.49 0.00 0.00 1.08 -0.89 -2.08 115.11 113.71 1ktm h GLN 988 Ca -0.01 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 1ktm h GLN 988 Cb 1.16 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1ktm h GLN 988 CO 0.08 1.04 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.67 1ktm h LYS 989 N 0.07 0.00 0.34 1.46 3.64 -1.48 0.30 116.57 120.90 1ktm h LYS 989 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ktm h LYS 989 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ktm h LYS 989 CO 0.10 0.12 -0.16 1.25 -2.27 0.00 0.00 179.45 178.49 1ktm h LEU 990 N 0.00 -0.38 0.41 5.20 6.46 -1.32 -1.82 115.31 123.86 1ktm h LEU 990 Ca -0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1ktm h LEU 990 Cb 0.25 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1ktm h LEU 990 CO 0.02 0.08 -0.34 0.25 -0.62 0.00 0.00 178.44 177.82 1ktm h LEU 991 N -1.06 -0.91 -0.83 2.25 5.85 -1.14 -1.89 115.31 117.57 1ktm h LEU 991 Ca -0.05 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.96 1ktm h LEU 991 Cb 0.44 0.30 -0.14 0.00 0.37 0.00 0.00 40.66 41.63 1ktm h LEU 991 CO 0.08 -0.50 0.17 -1.13 -0.34 0.00 0.00 178.44 176.71 1ktm h ASN 992 N -0.76 -0.09 0.00 1.25 -1.24 -0.52 0.58 115.58 114.80 1ktm h ASN 992 Ca -0.04 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1ktm h ASN 992 Cb 0.66 0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1ktm h ASN 992 CO -0.02 -0.15 0.00 -1.20 -1.29 0.00 0.00 177.43 174.77 1ktm n SER 993 N -5.25 0.00 -0.27 1.15 7.64 -0.68 0.51 113.62 116.71 1ktm n SER 993 Ca 0.19 0.71 0.32 0.00 1.01 0.00 0.00 58.87 61.09 1ktm n SER 993 Cb 0.60 -0.21 0.72 0.00 -1.01 0.00 0.00 64.21 64.32 1ktm n SER 993 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ktm h ASP 994 N 0.00 0.04 0.66 6.43 5.19 -0.98 -0.20 116.42 127.55 1ktm h ASP 994 Ca 0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1ktm h ASP 994 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ktm h ASP 994 CO 0.00 0.01 -0.34 0.25 -3.12 0.00 0.00 179.24 176.04 1ktm h LEU 995 N 0.03 -0.81 -0.11 1.55 5.85 0.16 0.02 115.31 122.01 1ktm h LEU 995 Ca 0.52 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1ktm h LEU 995 Cb 2.00 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 43.18 1ktm h LEU 995 CO -0.03 -0.55 -0.53 0.00 -0.34 0.00 0.00 178.44 176.99 1ktm h ALA 996 N -1.52 -0.87 -1.27 1.25 0.00 0.18 0.41 119.26 117.44 1ktm h ALA 996 Ca -0.09 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.14 1ktm h ALA 996 Cb 0.70 0.97 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1ktm h ALA 996 CO 0.13 -1.08 0.86 1.49 0.00 0.00 0.00 179.25 180.65 1ktm h GLU 997 N -0.59 0.15 0.08 0.00 4.57 -1.30 0.60 114.58 118.08 1ktm h GLU 997 Ca 0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ktm h GLU 997 Cb 0.69 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1ktm h GLU 997 CO -0.42 0.10 -0.04 1.25 -1.18 0.00 0.00 179.01 178.72 1ktm h LEU 998 N 0.15 -0.09 -0.22 1.64 7.12 0.17 0.15 115.31 124.23 1ktm h LEU 998 Ca 0.70 -0.43 0.04 0.00 0.13 0.00 0.00 57.88 58.33 1ktm h LEU 998 Cb 2.30 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 42.42 1ktm h LEU 998 CO -0.24 0.41 -0.03 0.40 -0.13 0.00 0.00 178.44 178.85 1ktm h ILE 999 N -0.63 0.81 0.34 4.05 1.08 0.24 -1.09 117.51 122.31 1ktm h ILE 999 Ca -0.01 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1ktm h ILE 999 Cb 0.52 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1ktm h ILE 999 CO 0.02 0.01 -0.22 -1.13 -0.69 0.00 0.00 178.15 176.13 1ktm h ASN 1000N 0.03 -0.56 -0.93 1.72 -0.73 -0.22 -1.10 115.58 113.80 1ktm h ASN 1000Ca 0.10 0.04 0.26 0.00 1.87 0.00 0.00 56.30 58.57 1ktm h ASN 1000Cb 0.15 0.17 -0.16 0.00 0.27 0.00 0.00 38.32 38.74 1ktm h ASN 1000CO -0.20 -0.35 0.14 0.11 -0.37 0.00 0.00 177.43 176.76 1ktm h LYS 1001N -0.54 0.08 -0.17 6.67 1.57 -0.26 0.63 116.57 124.55 1ktm h LYS 1001Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ktm h LYS 1001Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ktm h LYS 1001CO 0.03 0.05 0.07 1.98 -0.57 0.00 0.00 179.45 181.01 1ktm h MET 1002N 0.08 0.26 -0.16 3.15 4.05 -0.50 0.32 114.93 122.13 1ktm h MET 1002Ca 0.59 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 60.01 1ktm h MET 1002Cb 1.23 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1ktm h MET 1002CO -0.79 0.32 0.36 0.87 0.23 0.00 0.00 176.91 177.89 1ktm h LYS 1003N 0.13 0.00 0.07 0.39 1.57 0.14 0.11 116.57 118.98 1ktm h LYS 1003Ca 0.06 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.51 1ktm h LYS 1003Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1ktm h LYS 1003CO -0.01 0.00 -1.83 1.28 -0.57 0.00 0.00 179.45 178.33 1ktm n LEU 1004N -3.26 2.36 0.32 2.94 4.77 -0.36 -3.65 117.00 120.12 1ktm n LEU 1004Ca 0.02 0.26 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1ktm n LEU 1004Cb 0.45 -1.03 0.74 0.00 -2.33 0.00 0.00 43.42 41.25 1ktm n LEU 1004CO 0.20 0.65 1.08 0.00 -1.33 0.00 0.00 177.39 177.99 1ktm h ALA 1005N -0.19 1.34 0.00 -1.18 0.00 0.21 1.99 119.26 121.42 1ktm h ALA 1005Ca -0.43 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 1ktm h ALA 1005Cb 1.75 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1ktm h ALA 1005CO -0.06 -0.34 -1.44 0.37 0.00 0.00 0.00 179.25 177.78 1ktm h GLN 1006N 0.00 0.00 -0.02 0.00 4.15 -1.35 -2.46 115.11 115.44 1ktm h GLN 1006Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ktm h GLN 1006Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1ktm h GLN 1006CO 0.00 0.50 -0.41 0.94 -1.93 0.00 0.00 178.83 177.94 1ktm n GLN 1007N -3.05 1.38 0.00 1.69 0.00 0.42 -4.12 117.38 113.69 1ktm n GLN 1007Ca -0.11 -1.12 0.04 0.00 -0.00 0.00 0.00 57.00 55.81 1ktm n GLN 1007Cb 0.95 -1.47 -0.04 0.00 0.00 0.00 0.00 30.24 29.69 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 0.16 0.00 -0.00 3.69 4.02 0.57 -4.51 117.16 121.09 1ktm n TYR 1008Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.84 1ktm n TYR 1008Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.25 1.31 -1.74 -0.72 3.04 -1.59 -2.85 116.25 113.95 1ktm h VAL 1009Ca 0.00 -2.02 0.50 0.00 -1.01 0.00 0.00 66.70 64.18 1ktm h VAL 1009Cb 0.23 2.01 -0.07 0.00 -2.01 0.00 0.00 31.29 31.45 1ktm h VAL 1009CO 0.00 0.63 1.31 1.15 -1.01 0.00 0.00 177.57 179.66 1ktm n MET 1010N -3.91 0.00 0.00 4.17 0.00 -1.26 -3.86 117.12 112.27 1ktm n MET 1010Ca -0.06 1.01 0.00 0.00 0.00 0.00 0.00 57.70 58.64 1ktm n MET 1010Cb 0.73 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1ktm n MET 1010CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ktm n THR 1011N -3.70 0.00 -2.03 3.17 -2.24 -1.18 -5.05 114.28 103.24 1ktm n THR 1011Ca 0.39 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.15 1ktm n THR 1011Cb 1.84 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 70.05 1ktm n THR 1011CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ktm n SER 1012N 0.00 -0.23 0.11 3.42 2.88 -1.24 -4.90 113.62 113.67 1ktm n SER 1012Ca 0.00 -1.47 0.01 0.00 -1.33 0.00 0.00 58.87 56.08 1ktm n SER 1012Cb 0.00 0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1ktm n SER 1012CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ktm h LEU 1013N 0.06 0.00 -0.88 2.46 -0.00 -1.79 -3.35 115.31 111.82 1ktm h LEU 1013Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.78 1ktm h LEU 1013Cb 1.22 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.78 1ktm h LEU 1013CO -0.08 0.59 -0.51 0.00 -0.00 0.00 0.00 178.44 178.44 1ktm n GLN 1014N -3.21 -0.38 -0.31 1.13 10.64 -1.21 0.10 117.38 124.15 1ktm n GLN 1014Ca 0.00 1.32 0.04 0.00 -1.83 0.00 0.00 57.00 56.53 1ktm n GLN 1014Cb 0.78 -1.95 0.11 0.00 -0.86 0.00 0.00 30.24 28.32 1ktm n GLN 1014CO 0.00 0.00 0.00 -0.56 -1.83 0.00 0.00 177.06 174.67 1ktm h GLN 1015N 0.00 -0.00 0.13 2.61 3.07 -1.94 1.25 115.11 120.23 1ktm h GLN 1015Ca 0.15 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.90 1ktm h GLN 1015Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.89 1ktm h GLN 1015CO -0.83 -0.00 -0.30 1.49 0.09 0.00 0.00 178.83 179.28 1ktm h GLU 1016N -0.00 -0.51 -0.94 0.06 4.81 0.46 -2.07 114.58 116.39 1ktm h GLU 1016Ca 0.42 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1ktm h GLU 1016Cb 0.63 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1ktm h GLU 1016CO -0.90 -0.34 0.57 1.88 -0.73 0.00 0.00 179.01 179.50 1ktm h TYR 1017N -0.53 1.24 -1.06 0.92 -1.99 0.60 -1.62 116.97 114.54 1ktm h TYR 1017Ca 0.03 -0.00 0.28 0.00 2.00 0.00 0.00 58.73 61.04 1ktm h TYR 1017Cb 0.55 -0.41 -0.10 0.00 2.00 0.00 0.00 36.73 38.77 1ktm h TYR 1017CO -0.27 0.82 0.68 0.87 -0.00 0.00 0.00 178.16 180.26 1ktm h LYS 1018N 1.30 0.37 0.00 4.88 1.57 0.21 1.56 116.57 126.46 1ktm h LYS 1018Ca 0.34 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.91 1ktm h LYS 1018Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1ktm h LYS 1018CO -0.06 0.24 -0.88 0.87 -0.57 0.00 0.00 179.45 179.05 1ktm h LYS 1019N 0.38 0.01 0.83 3.15 6.56 -0.84 -2.70 116.57 123.96 1ktm h LYS 1019Ca 0.63 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 60.16 1ktm h LYS 1019Cb 1.59 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.26 1ktm h LYS 1019CO -0.34 0.88 -0.40 1.96 -2.06 0.00 0.00 179.45 179.50 1ktm h GLN 1020N 0.01 -1.08 -0.27 3.15 1.08 0.26 -2.44 115.11 115.82 1ktm h GLN 1020Ca -0.01 0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 1ktm h GLN 1020Cb 1.55 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 29.21 1ktm h GLN 1020CO 0.12 -0.72 0.18 0.00 -0.95 0.00 0.00 178.83 177.46 1ktm h MET 1021N -1.23 0.14 -0.16 1.46 -0.00 -1.08 -1.75 114.93 112.31 1ktm h MET 1021Ca -0.11 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.61 1ktm h MET 1021Cb 0.86 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 32.39 1ktm h MET 1021CO 0.19 0.09 -0.05 1.25 -0.00 0.00 0.00 176.91 178.39 1ktm h LEU 1022N 0.15 -0.17 -0.89 -0.10 7.12 -1.27 0.89 115.31 121.05 1ktm h LEU 1022Ca 0.12 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.26 1ktm h LEU 1022Cb 0.29 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.46 1ktm h LEU 1022CO -0.02 -0.06 0.54 0.74 -0.13 0.00 0.00 178.44 179.51 1ktm h THR 1023N -0.01 0.99 -0.47 1.05 2.02 -0.84 0.46 112.91 116.12 1ktm h THR 1023Ca 0.08 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1ktm h THR 1023Cb 0.13 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1ktm h THR 1023CO -0.17 0.17 0.11 0.00 0.37 0.00 0.00 175.52 176.00 1ktm h ALA 1024N 1.44 1.33 -0.16 6.16 0.00 -1.10 -0.86 119.26 126.06 1ktm h ALA 1024Ca 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ktm h ALA 1024Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ktm h ALA 1024CO -0.21 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.54 1ktm h ALA 1025N 1.44 1.74 0.03 0.00 0.00 0.14 1.57 119.26 124.18 1ktm h ALA 1025Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ktm h ALA 1025Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ktm h ALA 1025CO -0.00 0.20 -0.02 1.25 0.00 0.00 0.00 179.25 180.68 1ktm h HIS 1026N 0.22 -0.04 -0.24 0.00 2.76 -0.53 -2.51 115.15 114.82 1ktm h HIS 1026Ca 0.06 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1ktm h HIS 1026Cb 0.13 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1ktm h HIS 1026CO 0.00 0.55 -0.25 0.00 -1.30 0.00 0.00 177.93 176.93 1ktm h ALA 1027N 0.23 1.13 0.15 5.26 0.00 -0.89 -3.00 119.26 122.13 1ktm h ALA 1027Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ktm h ALA 1027Cb 0.61 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ktm h ALA 1027CO 0.01 0.55 -0.13 -0.07 0.00 0.00 0.00 179.25 179.60 1ktm h LEU 1028N 0.40 -0.36 -0.97 0.00 3.38 0.22 1.70 115.31 119.69 1ktm h LEU 1028Ca 0.06 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.35 1ktm h LEU 1028Cb 0.66 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 1ktm h LEU 1028CO 0.05 -0.18 0.11 0.00 0.09 0.00 0.00 178.44 178.51 1ktm n ALA 1029N -2.37 0.59 -0.03 1.53 0.00 -0.95 0.17 120.51 119.45 1ktm n ALA 1029Ca -0.03 1.03 -0.12 0.00 0.00 0.00 0.00 53.44 54.31 1ktm n ALA 1029Cb 0.12 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 1ktm n ALA 1029CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ktm h VAL 1030N 0.00 1.30 -0.16 0.00 2.07 -1.26 -1.94 116.25 116.26 1ktm h VAL 1030Ca 0.63 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1ktm h VAL 1030Cb 1.39 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 1ktm h VAL 1030CO -0.88 0.27 -0.44 0.44 0.02 0.00 0.00 177.57 176.97 1ktm h ASP 1031N -0.18 -1.40 -0.11 0.57 5.19 1.25 0.86 116.42 122.60 1ktm h ASP 1031Ca 0.02 0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1ktm h ASP 1031Cb 0.44 0.57 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1ktm h ASP 1031CO 0.01 -0.43 0.18 0.00 -3.12 0.00 0.00 179.24 175.88 1ktm h ALA 1032N 0.07 1.57 0.32 3.45 0.00 -0.23 -2.17 119.26 122.27 1ktm h ALA 1032Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ktm h ALA 1032Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ktm h ALA 1032CO -0.42 -0.24 -0.15 -0.22 0.00 0.00 0.00 179.25 178.21 1ktm h LYS 1033N 0.00 -0.42 -0.94 0.00 1.63 0.14 -2.96 116.57 114.02 1ktm h LYS 1033Ca 0.05 0.03 0.27 0.00 -0.85 0.00 0.00 60.65 60.16 1ktm h LYS 1033Cb 0.41 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 1ktm h LYS 1033CO -0.00 -0.28 0.95 -2.95 -3.45 0.00 0.00 179.45 173.72 1ktm h ASN 1034N -0.73 0.00 0.26 4.20 7.08 -0.23 1.46 115.58 127.63 1ktm h ASN 1034Ca -0.04 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.16 1ktm h ASN 1034Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 1ktm h ASN 1034CO 0.07 0.00 -0.13 0.25 -2.08 0.00 0.00 177.43 175.55 1ktm h LEU 1035N 0.00 -0.30 -0.37 6.14 6.46 -1.28 -2.11 115.31 123.85 1ktm h LEU 1035Ca 0.45 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 58.09 1ktm h LEU 1035Cb 2.34 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 42.34 1ktm h LEU 1035CO -0.00 -0.20 -0.26 0.25 -0.62 0.00 0.00 178.44 177.61 1ktm h LEU 1036N -0.38 0.87 -0.94 2.25 5.85 -0.71 -2.91 115.31 119.33 1ktm h LEU 1036Ca -0.04 -0.44 0.17 0.00 0.84 0.00 0.00 57.88 58.42 1ktm h LEU 1036Cb 0.27 -0.24 -0.17 0.00 0.37 0.00 0.00 40.66 40.89 1ktm h LEU 1036CO 0.06 1.12 -0.31 -0.78 -0.34 0.00 0.00 178.44 178.19 1ktm h ASP 1037N 0.62 -1.13 -0.67 1.25 3.58 0.18 1.88 116.42 122.14 1ktm h ASP 1037Ca 0.07 0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.76 1ktm h ASP 1037Cb 0.83 0.66 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 1ktm h ASP 1037CO 0.07 -0.30 0.24 0.58 -2.88 0.00 0.00 179.24 176.95 1ktm h VAL 1038N -0.01 1.25 -0.70 2.25 2.07 -1.30 -2.25 116.25 117.55 1ktm h VAL 1038Ca 0.39 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ktm h VAL 1038Cb 0.64 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ktm h VAL 1038CO -0.96 0.32 0.46 0.40 0.02 0.00 0.00 177.57 177.81 1ktm h ILE 1039N 1.01 1.17 -0.71 4.57 2.04 0.27 -1.76 117.51 124.10 1ktm h ILE 1039Ca 0.23 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1ktm h ILE 1039Cb 0.25 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.39 1ktm h ILE 1039CO -0.01 0.17 0.24 -0.78 0.00 0.00 0.00 178.15 177.77 1ktm h ASP 1040N 0.93 0.18 0.16 1.72 1.82 0.13 0.85 116.42 122.21 1ktm h ASP 1040Ca 0.26 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 57.00 1ktm h ASP 1040Cb -0.09 0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 1ktm h ASP 1040CO -0.06 0.07 -0.06 0.06 -1.61 0.00 0.00 179.24 177.63 1ktm h GLN 1041N 0.38 0.00 0.19 0.28 -0.00 -1.14 -2.84 115.11 111.98 1ktm h GLN 1041Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 1ktm h GLN 1041Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.06 1ktm h GLN 1041CO -0.41 0.06 -0.09 0.00 -0.00 0.00 0.00 178.83 178.39 1ktm h ALA 1042N 1.94 -0.26 -0.30 0.06 0.00 1.00 -2.98 119.26 118.72 1ktm h ALA 1042Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ktm h ALA 1042Cb 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ktm h ALA 1042CO 0.01 -0.25 -0.17 -2.13 0.00 0.00 0.00 179.25 176.70 1ktm n ARG 1043N -4.94 -0.13 -0.24 0.00 0.63 0.11 0.16 116.66 112.25 1ktm n ARG 1043Ca -0.04 0.91 0.05 0.00 -0.92 0.00 0.00 57.85 57.85 1ktm n ARG 1043Cb 0.15 -1.36 0.16 0.00 0.45 0.00 0.00 32.46 31.86 1ktm n ARG 1043CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ktm h LEU 1044N 0.00 -0.21 -1.55 6.15 8.10 -1.68 1.14 115.31 127.26 1ktm h LEU 1044Ca 0.05 0.17 0.31 0.00 0.11 0.00 0.00 57.88 58.52 1ktm h LEU 1044Cb 0.12 0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 40.58 1ktm h LEU 1044CO -0.28 -0.12 1.02 0.50 -4.11 0.00 0.00 178.44 175.45 1ktm h LYS 1045N 0.16 0.00 0.05 0.17 3.11 0.17 0.81 116.57 121.04 1ktm h LYS 1045Ca 0.40 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 58.06 1ktm h LYS 1045Cb 0.69 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 1ktm h LYS 1045CO -0.59 0.00 -0.94 1.98 -2.81 0.00 0.00 179.45 177.10 1ktm h MET 1046N 0.00 0.11 0.07 1.90 4.05 0.21 -3.40 114.93 117.87 1ktm h MET 1046Ca 0.50 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.73 1ktm h MET 1046Cb 2.54 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 33.42 1ktm h MET 1046CO -0.01 1.09 -0.03 0.82 0.23 0.00 0.00 176.91 179.02 1ktm h ILE 1047N -0.69 0.00 -0.11 1.77 5.03 0.88 -3.33 117.51 121.06 1ktm h ILE 1047Ca -0.22 -0.02 -0.52 0.00 -0.12 0.00 0.00 64.86 63.98 1ktm h ILE 1047Cb 1.42 0.00 0.05 0.00 -3.03 0.00 0.00 36.82 35.25 1ktm h ILE 1047CO -0.03 0.00 1.68 -1.20 -0.68 0.00 0.00 178.15 177.93 1ktm n SER 1048N -2.30 2.26 0.00 1.72 7.64 0.11 -4.64 113.62 118.41 1ktm n SER 1048Ca -0.01 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1ktm n SER 1048Cb 0.04 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1ktm n SER 1048CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ktm n GLN 1049N 7.57 -1.04 -2.83 1.43 -0.06 -1.25 -4.75 117.38 116.45 1ktm n GLN 1049Ca 0.47 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 55.04 1ktm n GLN 1049Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ktm n SER 1050N 0.63 5.36 -4.48 1.69 2.88 -1.26 -4.98 113.62 113.46 1ktm n SER 1050Ca 0.00 -3.07 -0.48 0.00 -1.33 0.00 0.00 58.87 53.99 1ktm n SER 1050Cb 0.00 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 61.91 1ktm n SER 1050CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ktm n ARG 1051N 4.22 1.23 -1.53 -1.46 0.00 -1.26 -4.92 116.66 112.94 1ktm n ARG 1051Ca 0.35 0.32 -0.29 0.00 -0.00 0.00 0.00 57.85 58.22 1ktm n ARG 1051Cb 0.39 -2.64 0.16 0.00 0.00 0.00 0.00 32.46 30.37 1ktm n ARG 1051CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ktm s PRO 1052N 6.42 0.72 0.00 -0.14 0.04 -1.26 -5.17 135.00 135.61 1ktm s PRO 1052Ca 1.08 0.13 0.06 0.00 0.04 0.00 0.00 61.00 62.31 1ktm s PRO 1052Cb -0.73 -1.81 0.35 0.00 0.04 0.00 0.00 34.50 32.36 1ktm s PRO 1052CO 0.45 -2.45 0.82 -2.39 0.04 0.00 0.00 177.00 173.47