#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm h ALA 916 N 0.00 0.42 -1.44 3.04 0.00 -2.12 -3.25 119.26 115.92 1ktm h ALA 916 Ca 0.00 0.16 -0.63 0.00 0.00 0.00 0.00 54.91 54.45 1ktm h ALA 916 Cb 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 1ktm h ALA 916 CO 0.00 -0.41 1.19 -0.80 0.00 0.00 0.00 179.25 179.23 1ktm s ASN 917 N -5.24 6.50 -1.34 0.00 -0.87 -1.26 -4.90 114.94 107.83 1ktm s ASN 917 Ca -0.14 -1.55 -0.12 0.00 -1.57 0.00 0.00 52.86 49.48 1ktm s ASN 917 Cb 0.16 -2.50 0.11 0.00 -0.02 0.00 0.00 41.25 39.00 1ktm s ASN 917 CO 0.72 -1.38 1.97 0.18 -2.57 0.00 0.00 177.10 176.02 1ktm n LEU 918 N 8.06 6.52 -2.07 0.60 4.32 -1.23 -4.65 117.00 128.55 1ktm n LEU 918 Ca 0.26 -4.40 -0.24 0.00 -0.02 0.00 0.00 56.01 51.61 1ktm n LEU 918 Cb 0.50 -1.57 0.15 0.00 -1.62 0.00 0.00 43.42 40.87 1ktm n LEU 918 CO 0.61 1.15 1.18 -0.90 -1.22 0.00 0.00 177.39 178.21 1ktm n ASP 919 N 5.12 4.66 0.00 -1.43 5.75 -1.26 -4.33 116.55 125.06 1ktm n ASP 919 Ca 0.45 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 1ktm n ASP 919 Cb 0.38 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ktm n ASP 919 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ktm n ARG 920 N -1.06 0.00 -0.07 0.11 0.63 -1.26 -4.19 116.66 110.82 1ktm n ARG 920 Ca 0.55 0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 57.32 1ktm n ARG 920 Cb 1.26 -0.41 -0.12 0.00 0.45 0.00 0.00 32.46 33.64 1ktm n ARG 920 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1ktm h SER 921 N 0.00 0.11 0.00 6.15 0.87 -2.00 -3.28 113.55 115.39 1ktm h SER 921 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1ktm h SER 921 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1ktm h SER 921 CO 0.00 1.45 0.18 0.78 -0.53 0.00 0.00 176.83 178.71 1ktm h ASN 922 N -0.79 0.00 -0.02 6.23 2.35 -1.87 0.14 115.58 121.61 1ktm h ASN 922 Ca -0.28 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 1ktm h ASN 922 Cb 1.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.77 1ktm h ASN 922 CO -0.09 0.00 -0.38 -0.78 -1.65 0.00 0.00 177.43 174.52 1ktm h ASP 923 N 0.00 0.38 -0.84 5.81 1.82 -1.73 0.74 116.42 122.60 1ktm h ASP 923 Ca 0.00 -0.73 0.16 0.00 -0.39 0.00 0.00 57.03 56.07 1ktm h ASP 923 Cb 0.37 -0.11 -0.10 0.00 0.68 0.00 0.00 39.33 40.16 1ktm h ASP 923 CO 0.00 1.05 0.40 0.50 -1.61 0.00 0.00 179.24 179.58 1ktm h LYS 924 N -0.26 0.52 0.22 0.28 3.64 -0.79 1.54 116.57 121.72 1ktm h LYS 924 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ktm h LYS 924 Cb 1.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ktm h LYS 924 CO 0.08 0.34 -0.10 0.28 -2.27 0.00 0.00 179.45 177.78 1ktm h VAL 925 N 0.54 0.00 -0.18 2.00 2.07 -1.51 -2.91 116.25 116.26 1ktm h VAL 925 Ca 0.47 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1ktm h VAL 925 Cb 0.74 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ktm h VAL 925 CO -0.41 0.00 0.53 1.88 0.02 0.00 0.00 177.57 179.59 1ktm h TYR 926 N -0.80 0.00 0.11 1.57 -1.99 -0.52 -1.86 116.97 113.48 1ktm h TYR 926 Ca -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1ktm h TYR 926 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1ktm h TYR 926 CO 0.02 0.00 -0.05 0.93 -0.00 0.00 0.00 178.16 179.06 1ktm h GLU 927 N 0.00 -0.14 -0.93 4.88 4.39 0.22 -2.71 114.58 120.29 1ktm h GLU 927 Ca 0.09 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.00 1ktm h GLU 927 Cb 1.14 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.65 1ktm h GLU 927 CO -0.00 -0.09 -0.19 -1.71 -1.16 0.00 0.00 179.01 175.86 1ktm n ASN 928 N -2.79 -0.29 0.01 1.42 2.85 -0.73 0.20 115.26 115.93 1ktm n ASN 928 Ca -0.02 1.60 -0.12 0.00 -0.11 0.00 0.00 54.58 55.93 1ktm n ASN 928 Cb 0.06 -0.50 -0.06 0.00 1.24 0.00 0.00 39.78 40.52 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 0.17 0.36 3.44 2.07 -1.56 0.19 116.25 120.93 1ktm h VAL 929 Ca 0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.97 1ktm h VAL 929 Cb 0.77 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ktm h VAL 929 CO -0.95 0.00 -0.17 0.71 0.02 0.00 0.00 177.57 177.18 1ktm h THR 930 N -0.49 0.00 -0.71 2.57 1.35 0.11 -1.91 112.91 113.82 1ktm h THR 930 Ca 0.07 -0.26 0.07 0.00 -0.55 0.00 0.00 66.41 65.74 1ktm h THR 930 Cb 0.62 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.95 1ktm h THR 930 CO -0.38 0.00 -0.41 0.61 -0.25 0.00 0.00 175.52 175.09 1ktm n GLY 931 N -0.02 -1.83 0.12 5.82 0.00 0.54 0.23 105.19 110.05 1ktm n GLY 931 Ca -0.06 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.23 0.26 0.99 8.10 -0.70 -2.20 115.31 121.52 1ktm h LEU 932 Ca 0.12 0.06 0.01 0.00 0.11 0.00 0.00 57.88 58.18 1ktm h LEU 932 Cb 0.30 0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 40.63 1ktm h LEU 932 CO -0.67 -0.09 -0.32 0.58 -4.11 0.00 0.00 178.44 173.83 1ktm h VAL 933 N -0.04 0.34 -1.13 0.15 2.07 0.20 0.34 116.25 118.18 1ktm h VAL 933 Ca 0.09 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.05 1ktm h VAL 933 Cb 0.18 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.12 1ktm h VAL 933 CO -0.20 0.00 0.66 0.29 0.02 0.00 0.00 177.57 178.34 1ktm n LYS 934 N -5.43 -0.05 -0.04 1.57 4.76 0.63 0.92 118.16 120.52 1ktm n LYS 934 Ca -0.08 1.34 -0.12 0.00 -2.87 0.00 0.00 58.31 56.58 1ktm n LYS 934 Cb 0.33 -2.48 -0.10 0.00 -1.84 0.00 0.00 35.03 30.94 1ktm n LYS 934 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ktm h ALA 935 N 1.86 -0.03 -0.75 7.82 0.00 -0.53 -1.67 119.26 125.97 1ktm h ALA 935 Ca 0.86 -0.37 0.31 0.00 0.00 0.00 0.00 54.91 55.71 1ktm h ALA 935 Cb 2.45 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 20.12 1ktm h ALA 935 CO -0.67 -0.08 0.40 1.55 0.00 0.00 0.00 179.25 180.45 1ktm n VAL 936 N -4.71 -0.31 -0.01 0.00 3.14 0.26 0.97 118.33 117.68 1ktm n VAL 936 Ca -0.08 1.51 -0.00 0.00 -2.96 0.00 0.00 64.34 62.81 1ktm n VAL 936 Cb 0.36 -2.46 -0.00 0.00 -1.06 0.00 0.00 33.84 30.68 1ktm n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1ktm h ILE 937 N 0.00 0.00 -0.62 1.55 2.04 -1.30 -3.35 117.51 115.83 1ktm h ILE 937 Ca 0.63 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 66.54 1ktm h ILE 937 Cb 1.67 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.64 1ktm h ILE 937 CO -0.57 0.00 -0.03 1.21 0.00 0.00 0.00 178.15 178.76 1ktm n GLU 938 N -2.40 -0.05 -0.03 2.37 4.07 -0.24 0.05 120.64 124.40 1ktm n GLU 938 Ca -0.00 0.94 -0.02 0.00 -0.06 0.00 0.00 57.16 58.01 1ktm n GLU 938 Cb 0.01 -1.47 -0.02 0.00 -0.06 0.00 0.00 31.44 29.91 1ktm n GLU 938 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1ktm h MET 939 N 0.00 -0.06 -1.04 5.31 1.85 0.44 0.25 114.93 121.69 1ktm h MET 939 Ca 0.36 0.00 0.41 0.00 -0.61 0.00 0.00 59.70 59.86 1ktm h MET 939 Cb 0.70 0.01 -0.16 0.00 0.43 0.00 0.00 31.60 32.58 1ktm h MET 939 CO -0.60 -0.04 0.59 0.43 -0.40 0.00 0.00 176.91 176.90 1ktm n SER 940 N -3.20 0.30 0.41 1.39 7.64 0.11 0.16 113.62 120.43 1ktm n SER 940 Ca -0.00 1.51 -0.17 0.00 1.01 0.00 0.00 58.87 61.22 1ktm n SER 940 Cb 0.06 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.44 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 -0.98 -0.52 6.43 0.87 -0.35 -2.54 113.55 116.45 1ktm h SER 941 Ca 0.81 0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 61.17 1ktm h SER 941 Cb 2.27 0.27 -0.15 0.00 -0.44 0.00 0.00 62.40 64.35 1ktm h SER 941 CO -0.66 -0.66 0.32 2.29 -0.53 0.00 0.00 176.83 177.59 1ktm n LYS 942 N -5.01 1.90 -0.10 2.24 2.85 0.16 -4.06 118.16 116.14 1ktm n LYS 942 Ca -0.13 -1.68 -0.19 0.00 -1.05 0.00 0.00 58.31 55.25 1ktm n LYS 942 Cb 0.43 -1.69 -0.08 0.00 -0.65 0.00 0.00 35.03 33.03 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 -0.31 1.51 -0.29 0.58 0.00 0.42 -2.40 119.36 118.87 1ktm n ILE 943 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 62.75 63.00 1ktm n ILE 943 Cb 1.10 -2.10 0.05 0.00 0.00 0.00 0.00 39.64 38.69 1ktm n ILE 943 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ktm h GLN 944 N -1.00 -0.06 0.01 9.51 4.20 -1.70 -1.98 115.11 124.09 1ktm h GLN 944 Ca -0.33 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1ktm h GLN 944 Cb 1.19 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1ktm h GLN 944 CO -0.20 -0.04 -0.01 -1.00 -0.67 0.00 0.00 178.83 176.91 1ktm h PRO 945 N -0.06 -0.02 -3.32 1.46 0.13 -1.82 -3.46 132.00 124.92 1ktm h PRO 945 Ca 0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.99 1ktm h PRO 945 Cb 0.59 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.73 1ktm h PRO 945 CO -0.84 0.71 0.23 0.00 -0.23 0.00 0.00 178.00 177.87 1ktm n ALA 946 N -2.49 -1.40 -1.52 -0.56 0.00 -0.75 -4.88 120.51 108.92 1ktm n ALA 946 Ca -0.09 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1ktm n ALA 946 Cb 0.36 -1.03 0.21 0.00 0.00 0.00 0.00 19.45 18.99 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 0.95 -0.20 0.22 0.00 0.04 -1.26 -4.78 135.00 129.97 1ktm s PRO 947 Ca 0.55 -0.22 0.25 0.00 0.04 0.00 0.00 61.00 61.62 1ktm s PRO 947 Cb -0.78 -1.73 0.90 0.00 0.04 0.00 0.00 34.50 32.94 1ktm s PRO 947 CO 0.39 -3.01 1.74 -0.35 0.04 0.00 0.00 177.00 175.82 1ktm n PRO 948 N -4.23 0.22 0.09 0.56 -0.04 -1.26 -0.56 135.00 129.78 1ktm n PRO 948 Ca 0.14 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1ktm n PRO 948 Cb 0.59 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.22 0.61 0.00 0.54 2.13 -1.26 -3.11 120.64 117.34 1ktm n GLU 949 Ca 0.04 0.14 0.07 0.00 0.66 0.00 0.00 57.16 58.08 1ktm n GLU 949 Cb 0.33 -1.82 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 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 -2.72 1.83 -0.04 5.31 2.13 -1.04 -4.46 120.64 121.65 1ktm n GLU 950 Ca -0.02 -0.55 -0.21 0.00 0.66 0.00 0.00 57.16 57.04 1ktm n GLU 950 Cb 0.61 -1.24 -0.13 0.00 0.27 0.00 0.00 31.44 30.95 1ktm n GLU 950 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1ktm n TYR 951 N -0.51 0.91 -0.21 4.31 9.36 0.28 -2.74 117.16 128.57 1ktm n TYR 951 Ca 0.05 0.20 0.02 0.00 3.32 0.00 0.00 57.90 61.49 1ktm n TYR 951 Cb 0.30 -1.12 0.12 0.00 -0.63 0.00 0.00 39.34 38.01 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 -0.02 0.54 0.01 2.97 2.07 -1.76 -2.17 116.25 117.88 1ktm h VAL 952 Ca -0.47 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ktm h VAL 952 Cb 1.96 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1ktm h VAL 952 CO 0.02 0.03 -0.01 1.55 0.02 0.00 0.00 177.57 179.19 1ktm h PRO 953 N 0.18 -0.01 -0.66 1.57 0.13 -1.79 -2.98 132.00 128.45 1ktm h PRO 953 Ca 0.34 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.57 1ktm h PRO 953 Cb 0.54 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.57 1ktm h PRO 953 CO -0.49 0.71 -0.26 -0.12 -0.23 0.00 0.00 178.00 177.61 1ktm n MET 954 N -4.74 -0.16 0.15 0.86 1.56 -0.93 0.84 117.12 114.71 1ktm n MET 954 Ca -0.09 1.01 -0.13 0.00 -0.27 0.00 0.00 57.70 58.21 1ktm n MET 954 Cb 0.36 -1.50 -0.08 0.00 2.15 0.00 0.00 33.22 34.15 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 0.72 -1.96 1.12 2.07 -1.51 -2.54 116.25 114.15 1ktm h VAL 955 Ca 0.23 -0.55 0.57 0.00 0.82 0.00 0.00 66.70 67.76 1ktm h VAL 955 Cb 0.39 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1ktm h VAL 955 CO -0.65 0.11 1.40 0.29 0.02 0.00 0.00 177.57 178.74 1ktm n LYS 956 N -5.14 -0.00 0.02 1.57 5.02 0.25 0.17 118.16 120.05 1ktm n LYS 956 Ca -0.10 1.10 -0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1ktm n LYS 956 Cb 0.26 -2.51 -0.09 0.00 -0.02 0.00 0.00 35.03 32.67 1ktm n LYS 956 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ktm h GLU 957 N 0.00 -0.13 -0.97 1.97 4.22 -0.25 -2.58 114.58 116.84 1ktm h GLU 957 Ca 0.94 0.01 0.16 0.00 0.08 0.00 0.00 59.36 60.55 1ktm h GLU 957 Cb 3.75 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 32.94 1ktm h GLU 957 CO -0.04 0.38 0.61 -0.24 -2.18 0.00 0.00 179.01 177.55 1ktm h VAL 958 N -0.76 0.81 -0.73 0.32 3.04 0.20 0.14 116.25 119.25 1ktm h VAL 958 Ca -0.01 -0.27 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1ktm h VAL 958 Cb 0.57 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.75 1ktm h VAL 958 CO 0.02 0.15 0.35 1.23 -1.01 0.00 0.00 177.57 178.31 1ktm h GLY 959 N 0.80 1.13 1.31 3.17 0.00 -1.01 -1.73 103.07 106.74 1ktm h GLY 959 Ca 0.51 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1ktm h GLY 959 CO -0.28 0.53 0.14 -2.00 0.00 0.00 0.00 176.54 174.93 1ktm h LEU 960 N 1.03 0.81 0.03 3.11 6.46 -0.38 -1.83 115.31 124.54 1ktm h LEU 960 Ca 0.25 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1ktm h LEU 960 Cb 0.12 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1ktm h LEU 960 CO -0.03 0.79 -0.02 0.00 -0.62 0.00 0.00 178.44 178.56 1ktm h ALA 961 N 1.31 -0.05 -0.44 1.25 0.00 -0.51 -1.52 119.26 119.30 1ktm h ALA 961 Ca 0.18 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1ktm h ALA 961 Cb 0.30 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1ktm h ALA 961 CO -0.00 -0.52 0.07 -0.07 0.00 0.00 0.00 179.25 178.73 1ktm h LEU 962 N -0.06 -0.04 -0.23 0.00 3.38 -0.99 0.47 115.31 117.85 1ktm h LEU 962 Ca -0.00 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1ktm h LEU 962 Cb 0.04 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1ktm h LEU 962 CO 0.01 0.01 -0.29 -0.09 0.09 0.00 0.00 178.44 178.17 1ktm h ARG 963 N 0.19 -0.29 -0.48 1.13 9.65 -0.91 -1.34 114.38 122.33 1ktm h ARG 963 Ca 0.22 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1ktm h ARG 963 Cb 0.29 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1ktm h ARG 963 CO -0.30 -0.19 0.26 1.15 2.80 0.00 0.00 179.97 183.68 1ktm h THR 964 N -0.30 1.17 -0.88 0.20 2.02 -0.46 -2.54 112.91 112.12 1ktm h THR 964 Ca 0.13 -0.44 0.21 0.00 0.77 0.00 0.00 66.41 67.08 1ktm h THR 964 Cb 0.51 0.59 -0.16 0.00 -1.74 0.00 0.00 68.15 67.34 1ktm h THR 964 CO -0.41 0.18 -0.03 0.25 0.37 0.00 0.00 175.52 175.89 1ktm h LEU 965 N 0.64 -0.49 0.49 2.58 5.85 0.99 0.56 115.31 125.92 1ktm h LEU 965 Ca 0.17 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1ktm h LEU 965 Cb 0.06 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1ktm h LEU 965 CO -0.03 -0.27 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.32 1ktm h LEU 966 N 0.05 -1.11 0.05 2.25 4.07 -0.91 0.89 115.31 120.61 1ktm h LEU 966 Ca 0.49 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.55 1ktm h LEU 966 Cb 0.91 0.36 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 1ktm h LEU 966 CO -0.82 -0.59 -0.42 0.00 -1.08 0.00 0.00 178.44 175.53 1ktm h ALA 967 N -0.59 -0.89 -0.78 1.53 0.00 -0.43 0.48 119.26 118.58 1ktm h ALA 967 Ca -0.05 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1ktm h ALA 967 Cb 0.78 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 19.29 1ktm h ALA 967 CO -0.02 -1.00 0.27 1.79 0.00 0.00 0.00 179.25 180.29 1ktm h THR 968 N -0.57 0.55 -0.81 0.00 1.35 0.06 0.51 112.91 114.00 1ktm h THR 968 Ca 0.00 -0.12 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1ktm h THR 968 Cb 0.59 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.12 1ktm h THR 968 CO -0.26 0.07 0.53 0.58 -0.25 0.00 0.00 175.52 176.20 1ktm h VAL 969 N 0.36 1.16 -1.00 6.82 2.07 0.21 -0.88 116.25 124.99 1ktm h VAL 969 Ca 0.45 -0.36 0.23 0.00 0.82 0.00 0.00 66.70 67.84 1ktm h VAL 969 Cb 0.77 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 1ktm h VAL 969 CO -0.48 0.19 0.59 -0.78 0.02 0.00 0.00 177.57 177.11 1ktm h ASP 970 N 1.04 0.70 1.10 0.57 1.82 0.49 1.62 116.42 123.76 1ktm h ASP 970 Ca 0.31 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 57.04 1ktm h ASP 970 Cb -0.03 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 1ktm h ASP 970 CO -0.08 0.16 -0.16 -0.08 -1.61 0.00 0.00 179.24 177.47 1ktm h GLU 971 N 0.64 0.00 0.00 0.28 4.81 -0.99 -2.45 114.58 116.87 1ktm h GLU 971 Ca 0.62 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1ktm h GLU 971 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ktm h GLU 971 CO -0.45 0.16 -0.54 1.03 -0.73 0.00 0.00 179.01 178.48 1ktm h SER 972 N 0.00 0.00 -0.09 1.04 0.87 0.23 -3.23 113.55 112.37 1ktm h SER 972 Ca -0.00 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1ktm h SER 972 Cb 0.75 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 1ktm h SER 972 CO 0.02 0.07 -0.21 0.25 -0.53 0.00 0.00 176.83 176.43 1ktm h LEU 973 N 0.00 -0.64 -0.27 2.23 6.46 0.32 -2.03 115.31 121.38 1ktm h LEU 973 Ca 0.00 0.10 -0.21 0.00 -0.12 0.00 0.00 57.88 57.66 1ktm h LEU 973 Cb 0.80 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1ktm h LEU 973 CO 0.00 -0.27 -0.86 1.55 -0.62 0.00 0.00 178.44 178.25 1ktm h PRO 974 N -0.29 0.39 -1.10 5.25 0.13 -1.70 -3.08 132.00 131.60 1ktm h PRO 974 Ca 0.09 -0.38 0.32 0.00 -0.87 0.00 0.00 66.00 65.15 1ktm h PRO 974 Cb 0.41 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 1ktm h PRO 974 CO -0.26 1.04 0.81 0.28 -0.23 0.00 0.00 178.00 179.64 1ktm h VAL 975 N 0.24 0.42 -1.91 1.56 2.07 -1.45 -3.40 116.25 113.79 1ktm h VAL 975 Ca -0.06 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.94 1ktm h VAL 975 Cb 1.47 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1ktm h VAL 975 CO 0.15 0.00 -0.51 -0.76 0.02 0.00 0.00 177.57 176.46 1ktm s LEU 976 N -8.29 3.41 0.00 2.57 2.01 -0.81 -4.99 118.68 112.57 1ktm s LEU 976 Ca -0.05 -0.64 -0.12 0.00 0.01 0.00 0.00 54.13 53.33 1ktm s LEU 976 Cb 0.22 -1.94 0.18 0.00 0.01 0.00 0.00 46.19 44.66 1ktm s LEU 976 CO 0.78 -0.28 0.81 -0.81 1.01 0.00 0.00 176.35 177.86 1ktm n PRO 977 N -1.21 -1.64 -0.94 1.29 -0.04 -1.26 -4.89 135.00 126.30 1ktm n PRO 977 Ca -0.03 -1.27 -0.13 0.00 -0.04 0.00 0.00 63.50 62.03 1ktm n PRO 977 Cb 0.60 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.00 1ktm n PRO 977 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ktm n ALA 978 N -3.91 5.52 -0.40 0.55 0.00 -1.26 -3.33 120.51 117.68 1ktm n ALA 978 Ca -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1ktm n ALA 978 Cb 0.39 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.49 0.74 -0.02 0.00 2.88 -1.26 -4.73 113.62 112.72 1ktm n SER 979 Ca 0.30 -1.13 -0.02 0.00 -1.33 0.00 0.00 58.87 56.69 1ktm n SER 979 Cb 0.67 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 1ktm n SER 979 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ktm n THR 980 N -0.07 0.26 -0.44 2.46 -2.24 -1.21 -4.50 114.28 108.54 1ktm n THR 980 Ca 0.00 -0.17 0.39 0.00 -2.27 0.00 0.00 64.05 62.01 1ktm n THR 980 Cb 0.15 -0.85 0.74 0.00 -2.10 0.00 0.00 70.33 68.27 1ktm n THR 980 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1ktm h HIS 981 N 0.00 0.12 0.00 4.78 3.86 -1.85 2.27 115.15 124.33 1ktm h HIS 981 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1ktm h HIS 981 Cb 1.21 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1ktm h HIS 981 CO 0.00 -0.02 0.00 -2.13 0.86 0.00 0.00 177.93 176.64 1ktm n ARG 982 N -4.21 0.00 -0.27 2.45 0.63 -1.26 -2.15 116.66 111.85 1ktm n ARG 982 Ca 0.32 0.44 0.06 0.00 -0.92 0.00 0.00 57.85 57.75 1ktm n ARG 982 Cb 1.45 -0.94 0.20 0.00 0.45 0.00 0.00 32.46 33.62 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 0.42 -0.56 -0.14 5.08 -1.62 0.49 114.58 118.24 1ktm h GLU 983 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ktm h GLU 983 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1ktm h GLU 983 CO 0.00 0.27 0.29 0.82 -1.00 0.00 0.00 179.01 179.39 1ktm h ILE 984 N 0.43 1.18 -0.26 3.13 2.04 0.36 0.52 117.51 124.91 1ktm h ILE 984 Ca 0.44 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1ktm h ILE 984 Cb 0.70 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1ktm h ILE 984 CO -0.43 0.20 0.09 -0.33 0.00 0.00 0.00 178.15 177.69 1ktm h GLU 985 N 0.78 0.39 0.00 2.37 4.39 0.42 0.32 114.58 123.25 1ktm h GLU 985 Ca 0.20 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1ktm h GLU 985 Cb 0.06 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ktm h GLU 985 CO -0.03 0.44 -0.16 0.52 -1.16 0.00 0.00 179.01 178.62 1ktm h MET 986 N 0.26 0.00 0.00 2.33 2.86 -0.52 -1.69 114.93 118.17 1ktm h MET 986 Ca 0.08 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1ktm h MET 986 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1ktm h MET 986 CO -0.01 0.16 -0.66 0.00 1.06 0.00 0.00 176.91 177.46 1ktm h ALA 987 N 1.84 0.67 0.07 6.32 0.00 0.47 -2.83 119.26 125.80 1ktm h ALA 987 Ca -0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1ktm h ALA 987 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ktm h ALA 987 CO 0.02 0.64 -0.64 1.96 0.00 0.00 0.00 179.25 181.23 1ktm h GLN 988 N 0.00 0.15 -0.79 0.00 4.20 -0.13 -2.91 115.11 115.64 1ktm h GLN 988 Ca -0.03 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1ktm h GLN 988 Cb 1.40 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.23 1ktm h GLN 988 CO 0.06 1.12 0.52 -0.22 -0.67 0.00 0.00 178.83 179.64 1ktm h LYS 989 N -0.66 0.98 -0.04 1.46 3.64 -1.42 -0.28 116.57 120.26 1ktm h LYS 989 Ca -0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ktm h LYS 989 Cb 1.39 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ktm h LYS 989 CO 0.05 0.65 0.02 1.25 -2.27 0.00 0.00 179.45 179.15 1ktm h LEU 990 N 1.01 0.06 0.08 5.20 6.46 -1.60 0.13 115.31 126.65 1ktm h LEU 990 Ca 0.30 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1ktm h LEU 990 Cb -0.03 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1ktm h LEU 990 CO -0.08 0.19 -0.06 0.25 -0.62 0.00 0.00 178.44 178.12 1ktm h LEU 991 N -0.08 -0.16 -0.96 2.25 5.85 -1.15 0.92 115.31 121.97 1ktm h LEU 991 Ca 0.01 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.96 1ktm h LEU 991 Cb 0.15 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 41.05 1ktm h LEU 991 CO -0.00 -0.09 -0.14 -1.13 -0.34 0.00 0.00 178.44 176.75 1ktm h ASN 992 N -0.13 -0.73 0.00 1.25 -1.24 -1.12 1.26 115.58 114.87 1ktm h ASN 992 Ca -0.01 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1ktm h ASN 992 Cb 0.11 0.55 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1ktm h ASN 992 CO 0.00 -0.32 0.00 -1.20 -1.29 0.00 0.00 177.43 174.62 1ktm n SER 993 N -5.56 0.00 0.26 1.15 7.64 0.03 0.28 113.62 117.42 1ktm n SER 993 Ca 0.18 0.90 0.16 0.00 1.01 0.00 0.00 58.87 61.12 1ktm n SER 993 Cb 0.58 -0.40 0.76 0.00 -1.01 0.00 0.00 64.21 64.13 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 0.00 0.35 6.43 3.32 0.48 -0.96 116.42 126.04 1ktm h ASP 994 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ktm h ASP 994 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ktm h ASP 994 CO 0.00 0.00 -0.17 0.25 -1.72 0.00 0.00 179.24 177.60 1ktm h LEU 995 N 0.00 -0.40 -0.34 1.55 5.85 0.34 -1.12 115.31 121.19 1ktm h LEU 995 Ca 0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1ktm h LEU 995 Cb 0.87 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1ktm h LEU 995 CO -0.00 -0.16 -0.33 0.00 -0.34 0.00 0.00 178.44 177.61 1ktm h ALA 996 N -1.53 -0.24 -0.98 1.25 0.00 0.11 0.45 119.26 118.32 1ktm h ALA 996 Ca -0.05 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.16 1ktm h ALA 996 Cb 0.36 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1ktm h ALA 996 CO 0.08 -0.75 0.62 1.49 0.00 0.00 0.00 179.25 180.69 1ktm h GLU 997 N -0.29 0.53 -0.23 0.00 4.57 -1.39 0.24 114.58 118.01 1ktm h GLU 997 Ca 0.15 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1ktm h GLU 997 Cb 0.54 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1ktm h GLU 997 CO -0.50 0.35 -0.09 1.25 -1.18 0.00 0.00 179.01 178.84 1ktm h LEU 998 N 0.55 0.47 -0.05 1.64 6.46 0.10 0.22 115.31 124.70 1ktm h LEU 998 Ca 0.55 -0.40 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1ktm h LEU 998 Cb 1.16 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 1ktm h LEU 998 CO -0.30 0.76 -0.18 0.40 -0.62 0.00 0.00 178.44 178.51 1ktm h ILE 999 N 0.18 0.56 -0.79 4.05 1.08 0.26 0.12 117.51 122.97 1ktm h ILE 999 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1ktm h ILE 999 Cb 0.57 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1ktm h ILE 999 CO 0.03 0.00 0.52 -1.13 -0.69 0.00 0.00 178.15 176.87 1ktm h ASN 1000N -0.26 0.91 -0.46 1.72 -0.73 -0.88 -0.08 115.58 115.79 1ktm h ASN 1000Ca 0.07 -0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.25 1ktm h ASN 1000Cb 0.36 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 1ktm h ASN 1000CO -0.20 0.66 0.23 0.50 -0.37 0.00 0.00 177.43 178.25 1ktm h LYS 1001N 1.07 0.45 0.00 6.67 1.63 0.54 0.00 116.57 126.93 1ktm h LYS 1001Ca 0.29 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 1ktm h LYS 1001Cb -0.11 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1ktm h LYS 1001CO -0.06 0.30 -0.16 0.00 -3.45 0.00 0.00 179.45 176.07 1ktm h MET 1002N 0.46 0.00 -0.43 1.90 -0.00 0.10 -1.87 114.93 115.10 1ktm h MET 1002Ca 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.77 1ktm h MET 1002Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1ktm h MET 1002CO -0.14 0.16 -0.25 0.87 -0.00 0.00 0.00 176.91 177.56 1ktm h LYS 1003N 0.00 0.93 0.18 -0.10 1.79 0.80 -2.70 116.57 117.46 1ktm h LYS 1003Ca -0.00 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 1ktm h LYS 1003Cb 0.65 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1ktm h LYS 1003CO 0.02 1.08 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.32 1ktm h LEU 1004N 0.76 -0.21 -0.92 2.94 3.38 -0.98 -3.23 115.31 117.05 1ktm h LEU 1004Ca 0.09 -0.32 0.21 0.00 0.09 0.00 0.00 57.88 57.94 1ktm h LEU 1004Cb 0.83 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 1ktm h LEU 1004CO 0.07 0.32 -0.14 0.00 0.09 0.00 0.00 178.44 178.78 1ktm n ALA 1005N -2.56 0.31 -0.35 1.53 0.00 -0.73 0.21 120.51 118.93 1ktm n ALA 1005Ca -0.08 1.00 0.14 0.00 0.00 0.00 0.00 53.44 54.50 1ktm n ALA 1005Cb 0.26 -0.65 0.27 0.00 0.00 0.00 0.00 19.45 19.34 1ktm n ALA 1005CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ktm n GLN 1006N -5.44 -0.08 -0.05 0.00 7.27 -1.02 0.66 117.38 118.71 1ktm n GLN 1006Ca 0.17 1.50 -0.08 0.00 0.07 0.00 0.00 57.00 58.66 1ktm n GLN 1006Cb 0.55 -2.36 -0.15 0.00 2.41 0.00 0.00 30.24 30.69 1ktm n GLN 1006CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1ktm n GLN 1007N -5.51 0.66 -0.76 3.69 7.27 0.44 -4.17 117.38 119.00 1ktm n GLN 1007Ca 0.22 0.13 -0.15 0.00 0.07 0.00 0.00 57.00 57.28 1ktm n GLN 1007Cb 0.73 -1.66 0.07 0.00 2.41 0.00 0.00 30.24 31.79 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 -2.87 1.63 0.04 3.69 4.01 0.56 -3.98 117.16 120.24 1ktm n TYR 1008Ca -0.23 -1.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.94 1ktm n TYR 1008Cb 1.07 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1ktm n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ktm n VAL 1009N -0.10 0.44 -0.36 -0.72 3.14 0.21 -3.80 118.33 117.14 1ktm n VAL 1009Ca 0.32 0.15 0.04 0.00 -2.96 0.00 0.00 64.34 61.88 1ktm n VAL 1009Cb 0.88 -1.29 0.20 0.00 -1.06 0.00 0.00 33.84 32.57 1ktm n VAL 1009CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ktm h MET 1010N 0.00 1.07 0.00 1.45 -0.00 -1.75 -3.10 114.93 112.60 1ktm h MET 1010Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1ktm h MET 1010Cb 0.40 -0.24 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 1ktm h MET 1010CO 0.00 0.71 0.00 -2.37 -0.00 0.00 0.00 176.91 175.25 1ktm n THR 1011N -4.55 0.00 0.00 -0.10 5.66 -1.26 -4.91 114.28 109.12 1ktm n THR 1011Ca 0.17 1.36 0.00 0.00 -3.05 0.00 0.00 64.05 62.52 1ktm n THR 1011Cb 0.24 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 66.93 1ktm n THR 1011CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ktm n SER 1012N -2.02 0.00 -2.89 1.09 2.88 -1.17 -5.00 113.62 106.50 1ktm n SER 1012Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ktm n SER 1012Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ktm n SER 1012CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ktm n LEU 1013N 0.00 4.11 0.00 2.46 4.77 -1.26 -4.35 117.00 122.73 1ktm n LEU 1013Ca 0.00 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 1ktm n LEU 1013Cb 0.00 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ktm n LEU 1013CO 0.00 0.56 0.00 1.67 -1.33 0.00 0.00 177.39 178.29 1ktm n GLN 1014N 3.81 0.00 -0.49 3.23 7.27 -1.25 -2.92 117.38 127.03 1ktm n GLN 1014Ca 0.36 0.23 0.41 0.00 0.07 0.00 0.00 57.00 58.07 1ktm n GLN 1014Cb 0.23 -0.68 0.71 0.00 2.41 0.00 0.00 30.24 32.91 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 0.06 0.55 3.69 3.07 -1.92 0.74 115.11 121.31 1ktm h GLN 1015Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1ktm h GLN 1015Cb 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.55 1ktm h GLN 1015CO 0.00 0.04 -0.27 1.49 0.09 0.00 0.00 178.83 180.19 1ktm h GLU 1016N 0.07 -0.72 0.00 0.06 4.81 -1.87 -2.65 114.58 114.28 1ktm h GLU 1016Ca 0.79 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 1ktm h GLU 1016Cb 2.80 0.16 0.00 0.00 0.63 0.00 0.00 28.75 32.34 1ktm h GLU 1016CO -0.20 -0.41 0.00 0.66 -0.73 0.00 0.00 179.01 178.32 1ktm n TYR 1017N -5.30 0.55 -0.04 0.92 4.02 0.10 -2.40 117.16 115.02 1ktm n TYR 1017Ca -0.11 0.23 -0.14 0.00 -0.01 0.00 0.00 57.90 57.87 1ktm n TYR 1017Cb 0.33 -0.87 -0.09 0.00 -0.02 0.00 0.00 39.34 38.69 1ktm n TYR 1017CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ktm h LYS 1018N 0.00 0.28 -0.62 -0.72 1.63 0.49 -2.93 116.57 114.70 1ktm h LYS 1018Ca 0.00 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 1ktm h LYS 1018Cb 0.27 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1ktm h LYS 1018CO 0.00 0.78 0.18 0.87 -3.45 0.00 0.00 179.45 177.83 1ktm h LYS 1019N -0.18 0.94 0.08 1.90 6.56 -1.12 -2.64 116.57 122.11 1ktm h LYS 1019Ca 0.00 -0.19 0.01 0.00 -1.06 0.00 0.00 60.65 59.42 1ktm h LYS 1019Cb 0.77 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 32.25 1ktm h LYS 1019CO 0.04 0.82 -0.43 1.96 -2.06 0.00 0.00 179.45 179.78 1ktm h GLN 1020N 0.91 -0.57 -0.25 3.15 1.08 -1.47 0.17 115.11 118.13 1ktm h GLN 1020Ca 0.20 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.51 1ktm h GLN 1020Cb 0.28 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ktm h GLN 1020CO -0.01 -0.38 0.29 0.00 -0.95 0.00 0.00 178.83 177.78 1ktm h MET 1021N -0.59 0.00 -0.15 1.46 -0.00 -1.42 0.44 114.93 114.66 1ktm h MET 1021Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 1ktm h MET 1021Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.20 1ktm h MET 1021CO -0.24 0.00 -0.19 1.25 -0.00 0.00 0.00 176.91 177.72 1ktm h LEU 1022N 0.00 0.43 -0.76 -0.10 6.46 -0.42 -0.20 115.31 120.72 1ktm h LEU 1022Ca 0.12 -0.51 0.17 0.00 -0.12 0.00 0.00 57.88 57.55 1ktm h LEU 1022Cb 0.69 -0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 40.38 1ktm h LEU 1022CO -0.00 0.85 0.09 0.74 -0.62 0.00 0.00 178.44 179.51 1ktm h THR 1023N 0.02 0.40 -0.08 1.05 2.02 0.15 1.76 112.91 118.24 1ktm h THR 1023Ca 0.02 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1ktm h THR 1023Cb 0.75 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1ktm h THR 1023CO 0.05 0.03 -0.26 0.00 0.37 0.00 0.00 175.52 175.70 1ktm h ALA 1024N 1.68 0.14 -0.21 6.16 0.00 -1.49 -1.18 119.26 124.36 1ktm h ALA 1024Ca 0.43 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ktm h ALA 1024Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ktm h ALA 1024CO -0.60 0.15 0.16 0.00 0.00 0.00 0.00 179.25 178.95 1ktm h ALA 1025N 0.46 2.15 0.11 0.00 0.00 0.90 1.77 119.26 124.65 1ktm h ALA 1025Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ktm h ALA 1025Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ktm h ALA 1025CO 0.06 -0.27 -0.05 1.25 0.00 0.00 0.00 179.25 180.24 1ktm h HIS 1026N 0.00 -0.13 -0.45 0.00 2.76 0.27 -2.80 115.15 114.80 1ktm h HIS 1026Ca 0.10 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1ktm h HIS 1026Cb 0.41 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1ktm h HIS 1026CO 0.00 0.35 0.09 0.00 -1.30 0.00 0.00 177.93 177.06 1ktm h ALA 1027N -0.34 1.31 0.23 5.26 0.00 -0.53 -2.99 119.26 122.20 1ktm h ALA 1027Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ktm h ALA 1027Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 1027CO 0.02 0.48 -0.32 -0.07 0.00 0.00 0.00 179.25 179.36 1ktm h LEU 1028N 0.66 -0.92 -0.99 0.00 3.38 0.26 1.50 115.31 119.21 1ktm h LEU 1028Ca 0.15 0.08 0.33 0.00 0.09 0.00 0.00 57.88 58.53 1ktm h LEU 1028Cb 0.28 0.32 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 1ktm h LEU 1028CO 0.00 -0.40 0.30 0.00 0.09 0.00 0.00 178.44 178.43 1ktm h ALA 1029N -1.12 1.65 -0.19 1.53 0.00 -1.38 1.66 119.26 121.40 1ktm h ALA 1029Ca -0.03 0.29 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ktm h ALA 1029Cb 0.52 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ktm h ALA 1029CO -0.09 -0.72 -0.32 0.28 0.00 0.00 0.00 179.25 178.40 1ktm h VAL 1030N 0.04 1.34 -0.10 0.00 2.07 -1.10 -1.69 116.25 116.81 1ktm h VAL 1030Ca 0.71 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1ktm h VAL 1030Cb 1.68 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.26 1ktm h VAL 1030CO -0.81 0.47 -0.18 0.44 0.02 0.00 0.00 177.57 177.51 1ktm h ASP 1031N 0.22 -0.54 0.12 0.57 3.32 1.33 0.82 116.42 122.27 1ktm h ASP 1031Ca 0.02 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1ktm h ASP 1031Cb 0.90 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ktm h ASP 1031CO 0.07 -0.23 -0.06 0.00 -1.72 0.00 0.00 179.24 177.31 1ktm h ALA 1032N 0.76 1.57 0.21 3.45 0.00 0.22 -2.42 119.26 123.05 1ktm h ALA 1032Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ktm h ALA 1032Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ktm h ALA 1032CO -0.23 0.07 -0.10 0.87 0.00 0.00 0.00 179.25 179.86 1ktm h LYS 1033N 0.00 -0.27 -1.81 0.00 1.79 0.34 -3.09 116.57 113.54 1ktm h LYS 1033Ca -0.00 0.02 0.52 0.00 -2.18 0.00 0.00 60.65 59.01 1ktm h LYS 1033Cb 0.13 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 1ktm h LYS 1033CO 0.01 -0.18 1.35 -0.91 -1.08 0.00 0.00 179.45 178.64 1ktm h ASN 1034N -0.69 0.00 0.00 0.86 2.35 0.67 2.04 115.58 120.81 1ktm h ASN 1034Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ktm h ASN 1034Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ktm h ASN 1034CO 0.05 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.72 1ktm n LEU 1035N -3.88 0.00 -0.19 1.61 7.94 -0.93 -2.03 117.00 119.53 1ktm n LEU 1035Ca 0.41 0.92 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 1ktm n LEU 1035Cb 1.90 -0.50 0.01 0.00 0.53 0.00 0.00 43.42 45.37 1ktm n LEU 1035CO 0.42 -0.50 0.83 0.25 -1.11 0.00 0.00 177.39 177.28 1ktm h LEU 1036N 0.00 0.92 -0.98 -1.96 5.85 -0.59 -2.62 115.31 115.95 1ktm h LEU 1036Ca 0.00 -0.29 0.33 0.00 0.84 0.00 0.00 57.88 58.76 1ktm h LEU 1036Cb 0.00 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 40.62 1ktm h LEU 1036CO 0.00 0.99 0.41 -0.78 -0.34 0.00 0.00 178.44 178.72 1ktm h ASP 1037N 0.83 0.20 -0.20 1.25 3.58 0.30 1.84 116.42 124.23 1ktm h ASP 1037Ca 0.16 0.23 -0.19 0.00 0.42 0.00 0.00 57.03 57.65 1ktm h ASP 1037Cb 0.50 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1ktm h ASP 1037CO 0.02 -0.28 -0.60 0.58 -2.88 0.00 0.00 179.24 176.09 1ktm h VAL 1038N 0.15 1.28 0.35 2.25 2.07 -1.04 -2.89 116.25 118.43 1ktm h VAL 1038Ca 0.72 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ktm h VAL 1038Cb 1.69 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1ktm h VAL 1038CO -0.72 0.58 -0.50 0.40 0.02 0.00 0.00 177.57 177.35 1ktm h ILE 1039N 0.60 0.04 -0.83 4.57 2.04 0.30 1.02 117.51 125.25 1ktm h ILE 1039Ca -0.00 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1ktm h ILE 1039Cb 1.20 0.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.19 1ktm h ILE 1039CO 0.13 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 177.74 1ktm h ASP 1040N -0.89 0.08 0.68 1.72 1.82 -0.87 1.73 116.42 120.69 1ktm h ASP 1040Ca -0.04 0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.71 1ktm h ASP 1040Cb 0.82 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 1ktm h ASP 1040CO -0.14 -0.07 -0.28 -0.61 -1.61 0.00 0.00 179.24 176.53 1ktm h GLN 1041N 0.28 0.00 0.05 0.28 4.15 -1.03 -2.91 115.11 115.92 1ktm h GLN 1041Ca 0.50 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.85 1ktm h GLN 1041Cb 0.92 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.62 1ktm h GLN 1041CO -0.57 0.28 -0.30 0.00 -1.93 0.00 0.00 178.83 176.31 1ktm h ALA 1042N 1.72 -0.03 -0.58 3.38 0.00 1.01 -3.06 119.26 121.70 1ktm h ALA 1042Ca -0.00 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1ktm h ALA 1042Cb 0.69 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1ktm h ALA 1042CO 0.04 0.13 -0.34 -0.09 0.00 0.00 0.00 179.25 178.98 1ktm h ARG 1043N -0.72 -0.17 -0.62 0.00 2.43 0.19 0.29 114.38 115.79 1ktm h ARG 1043Ca -0.05 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1ktm h ARG 1043Cb 1.21 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1ktm h ARG 1043CO 0.06 -0.11 0.30 1.37 -1.51 0.00 0.00 179.97 180.08 1ktm h LEU 1044N -0.17 0.40 -1.74 3.80 8.10 -1.64 0.11 115.31 124.17 1ktm h LEU 1044Ca 0.22 0.05 0.46 0.00 0.11 0.00 0.00 57.88 58.72 1ktm h LEU 1044Cb 0.55 -0.02 -0.09 0.00 -0.44 0.00 0.00 40.66 40.66 1ktm h LEU 1044CO -0.68 0.25 1.06 0.50 -4.11 0.00 0.00 178.44 175.47 1ktm h LYS 1045N 0.55 0.05 0.03 0.17 3.11 -0.32 0.46 116.57 120.62 1ktm h LYS 1045Ca 0.29 -0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.96 1ktm h LYS 1045Cb 0.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1ktm h LYS 1045CO -0.22 0.03 -0.90 1.98 -2.81 0.00 0.00 179.45 177.53 1ktm h MET 1046N 0.05 0.07 0.00 1.90 4.05 -0.44 -3.39 114.93 117.16 1ktm h MET 1046Ca 0.81 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 60.11 1ktm h MET 1046Cb 2.92 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 33.76 1ktm h MET 1046CO -0.18 1.06 0.00 -0.89 0.23 0.00 0.00 176.91 177.13 1ktm n ILE 1047N -4.35 0.00 -1.40 1.77 5.41 0.14 -2.85 119.36 118.09 1ktm n ILE 1047Ca -0.23 1.49 -0.42 0.00 1.00 0.00 0.00 62.75 64.59 1ktm n ILE 1047Cb 0.68 -2.25 -0.04 0.00 -0.71 0.00 0.00 39.64 37.32 1ktm n ILE 1047CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ktm n SER 1048N -2.44 2.99 -0.90 4.38 2.88 0.16 -3.67 113.62 117.02 1ktm n SER 1048Ca 0.00 -2.73 -0.06 0.00 -1.33 0.00 0.00 58.87 54.75 1ktm n SER 1048Cb 0.00 -1.31 -0.06 0.00 -0.75 0.00 0.00 64.21 62.09 1ktm n SER 1048CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ktm n GLN 1049N 6.84 0.00 0.18 -1.46 1.13 -1.13 -4.85 117.38 118.09 1ktm n GLN 1049Ca 0.50 -0.82 -0.17 0.00 -1.94 0.00 0.00 57.00 54.58 1ktm n GLN 1049Cb 0.40 0.46 -0.09 0.00 0.11 0.00 0.00 30.24 31.12 1ktm n GLN 1049CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ktm h SER 1050N 0.00 -1.44 -3.23 1.08 0.87 -1.79 -3.38 113.55 105.66 1ktm h SER 1050Ca -0.47 0.14 -0.58 0.00 -1.23 0.00 0.00 61.79 59.66 1ktm h SER 1050Cb 1.27 0.51 -0.06 0.00 -0.44 0.00 0.00 62.40 63.68 1ktm h SER 1050CO -0.24 -0.58 0.55 -0.60 -0.53 0.00 0.00 176.83 175.43 1ktm s ARG 1051N -5.84 4.30 -0.01 2.24 3.52 -1.26 -4.97 118.95 116.93 1ktm s ARG 1051Ca -0.17 1.18 -0.01 0.00 -0.13 0.00 0.00 55.73 56.61 1ktm s ARG 1051Cb 0.06 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1ktm s ARG 1051CO 0.61 -0.43 0.26 -1.00 -0.81 0.00 0.00 175.30 173.94 1ktm h PRO 1052N 7.36 -0.04 0.00 5.12 0.13 -2.03 -3.54 132.00 139.01 1ktm h PRO 1052Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ktm h PRO 1052Cb 1.11 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ktm h PRO 1052CO 0.88 -0.02 0.00 1.58 -0.23 0.00 0.00 178.00 180.21