#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvx n SER 921 N 0.00 2.69 -3.76 6.15 2.88 -1.26 -4.94 113.62 115.38 1qvx n SER 921 Ca 0.00 -3.72 -0.34 0.00 -1.33 0.00 0.00 58.87 53.48 1qvx n SER 921 Cb 0.00 -0.66 0.04 0.00 -0.75 0.00 0.00 64.21 62.84 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qvx n ASN 922 N -1.09 -4.89 -3.20 -3.46 4.13 -1.26 -4.94 115.26 100.55 1qvx n ASN 922 Ca 0.36 -1.06 -0.04 0.00 1.68 0.00 0.00 54.58 55.51 1qvx n ASN 922 Cb 1.10 -3.08 0.04 0.00 -1.54 0.00 0.00 39.78 36.30 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qvx n ASP 923 N -2.60 -1.47 -0.18 6.41 -0.08 -1.26 -3.48 116.55 113.89 1qvx n ASP 923 Ca -0.11 -0.12 0.24 0.00 -1.51 0.00 0.00 54.79 53.30 1qvx n ASP 923 Cb 0.59 -0.24 0.37 0.00 2.34 0.00 0.00 41.12 44.18 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1qvx n LYS 924 N -0.57 0.01 0.03 -0.67 0.00 -1.26 0.62 118.16 116.32 1qvx n LYS 924 Ca 0.02 0.91 -0.12 0.00 0.00 0.00 0.00 58.31 59.12 1qvx n LYS 924 Cb 0.08 -2.26 -0.07 0.00 0.00 0.00 0.00 35.03 32.78 1qvx n LYS 924 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1qvx h VAL 925 N 0.00 1.00 0.00 3.15 -1.51 -1.86 0.81 116.25 117.84 1qvx h VAL 925 Ca 0.43 -0.01 -0.26 0.00 -1.23 0.00 0.00 66.70 65.63 1qvx h VAL 925 Cb 2.60 0.97 0.02 0.00 -2.13 0.00 0.00 31.29 32.75 1qvx h VAL 925 CO -0.00 0.01 -1.02 0.22 -1.23 0.00 0.00 177.57 175.54 1qvx h TYR 926 N 0.03 1.02 -0.20 5.19 3.20 0.15 -3.08 116.97 123.27 1qvx h TYR 926 Ca 0.01 -0.56 -0.00 0.00 3.14 0.00 0.00 58.73 61.32 1qvx h TYR 926 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1qvx h TYR 926 CO -0.08 1.39 0.12 1.49 -1.64 0.00 0.00 178.16 179.44 1qvx h GLU 927 N 0.36 0.27 -0.17 1.82 4.81 -1.47 -1.92 114.58 118.29 1qvx h GLU 927 Ca -0.13 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 1qvx h GLU 927 Cb 1.68 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1qvx h GLU 927 CO 0.20 0.23 -0.46 -0.97 -0.73 0.00 0.00 179.01 177.28 1qvx h ASN 928 N 0.24 0.69 0.24 1.04 -0.00 -0.92 -2.40 115.58 114.46 1qvx h ASN 928 Ca 0.07 -0.58 -0.05 0.00 -0.00 0.00 0.00 56.30 55.74 1qvx h ASN 928 Cb 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.14 1qvx h ASN 928 CO -0.01 1.15 -0.24 0.58 -0.00 0.00 0.00 177.43 178.90 1qvx h VAL 929 N 0.27 1.18 -0.24 2.57 2.07 -1.52 0.45 116.25 121.03 1qvx h VAL 929 Ca -0.01 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1qvx h VAL 929 Cb 1.07 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1qvx h VAL 929 CO 0.10 0.25 0.11 0.74 0.02 0.00 0.00 177.57 178.79 1qvx h THR 930 N 0.02 1.09 -0.47 2.57 2.02 -1.18 -0.95 112.91 116.01 1qvx h THR 930 Ca 0.00 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1qvx h THR 930 Cb 0.44 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1qvx h THR 930 CO 0.03 0.10 0.32 1.23 0.37 0.00 0.00 175.52 177.57 1qvx h GLY 931 N 0.43 0.57 0.98 2.16 0.00 0.41 -1.13 103.07 106.50 1qvx h GLY 931 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1qvx h GLY 931 CO -0.01 0.17 0.28 -2.00 0.00 0.00 0.00 176.54 174.98 1qvx h LEU 932 N 0.49 0.67 -0.68 3.11 6.46 -0.75 0.68 115.31 125.29 1qvx h LEU 932 Ca 0.20 -0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1qvx h LEU 932 Cb 0.16 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 1qvx h LEU 932 CO -0.05 0.58 0.36 0.58 -0.62 0.00 0.00 178.44 179.29 1qvx h VAL 933 N 0.71 0.91 -0.75 1.05 2.07 -1.21 0.39 116.25 119.43 1qvx h VAL 933 Ca 0.19 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1qvx h VAL 933 Cb 0.06 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1qvx h VAL 933 CO -0.03 0.12 0.40 0.11 0.02 0.00 0.00 177.57 178.18 1qvx h LYS 934 N 0.64 1.04 0.00 1.57 1.79 -0.50 0.90 116.57 122.01 1qvx h LYS 934 Ca 0.32 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.55 1qvx h LYS 934 Cb 0.27 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1qvx h LYS 934 CO -0.22 0.77 -0.60 0.00 -1.08 0.00 0.00 179.45 178.32 1qvx h ALA 935 N 1.39 0.64 0.00 3.86 0.00 0.36 -1.17 119.26 124.33 1qvx h ALA 935 Ca 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qvx h ALA 935 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qvx h ALA 935 CO -0.04 0.71 -0.02 -0.24 0.00 0.00 0.00 179.25 179.66 1qvx h VAL 936 N 0.00 0.00 -0.15 0.00 3.04 0.05 -2.42 116.25 116.77 1qvx h VAL 936 Ca -0.01 -0.56 -0.16 0.00 -1.01 0.00 0.00 66.70 64.96 1qvx h VAL 936 Cb 1.44 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.25 1qvx h VAL 936 CO 0.07 0.00 -0.57 0.40 -1.01 0.00 0.00 177.57 176.46 1qvx h ILE 937 N 0.00 1.34 -0.85 3.17 1.08 -0.30 -2.69 117.51 119.25 1qvx h ILE 937 Ca 0.00 -1.85 0.14 0.00 -0.39 0.00 0.00 64.86 62.76 1qvx h ILE 937 Cb 0.78 1.84 -0.09 0.00 -3.07 0.00 0.00 36.82 36.28 1qvx h ILE 937 CO 0.00 0.57 0.45 -0.33 -0.69 0.00 0.00 178.15 178.15 1qvx h GLU 938 N 0.36 0.65 -0.41 2.37 4.39 -0.74 -0.94 114.58 120.25 1qvx h GLU 938 Ca 0.00 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1qvx h GLU 938 Cb 1.10 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 1qvx h GLU 938 CO 0.10 0.43 0.20 1.98 -1.16 0.00 0.00 179.01 180.56 1qvx h MET 939 N 0.67 0.39 0.00 2.33 4.05 -1.19 0.69 114.93 121.86 1qvx h MET 939 Ca 0.45 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.76 1qvx h MET 939 Cb 0.60 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1qvx h MET 939 CO -0.34 0.26 -0.43 0.66 0.23 0.00 0.00 176.91 177.29 1qvx h SER 940 N 0.40 0.00 0.12 1.39 4.64 -1.28 -0.67 113.55 118.15 1qvx h SER 940 Ca 0.18 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.29 1qvx h SER 940 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1qvx h SER 940 CO -0.13 0.43 -0.91 0.28 -0.87 0.00 0.00 176.83 175.63 1qvx h SER 941 N 0.00 0.58 -0.30 4.97 0.02 -0.50 -3.07 113.55 115.26 1qvx h SER 941 Ca -0.00 -0.89 0.06 0.00 -0.84 0.00 0.00 61.79 60.11 1qvx h SER 941 Cb 0.97 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1qvx h SER 941 CO 0.06 1.43 -0.04 0.11 -1.14 0.00 0.00 176.83 177.24 1qvx h LYS 942 N -0.17 0.03 0.00 3.45 1.79 0.51 -2.24 116.57 119.95 1qvx h LYS 942 Ca -0.15 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1qvx h LYS 942 Cb 1.67 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1qvx h LYS 942 CO 0.17 0.02 -0.24 0.97 -1.08 0.00 0.00 179.45 179.29 1qvx h ILE 943 N 0.03 1.04 0.01 1.86 2.10 -1.18 -2.59 117.51 118.79 1qvx h ILE 943 Ca 0.14 -0.87 0.02 0.00 1.08 0.00 0.00 64.86 65.23 1qvx h ILE 943 Cb 0.21 1.48 -0.05 0.00 -1.09 0.00 0.00 36.82 37.37 1qvx h ILE 943 CO -0.28 0.24 -0.48 1.56 -1.08 0.00 0.00 178.15 178.11 1qvx h GLN 944 N 0.00 -0.59 -0.64 2.19 4.20 -1.29 -2.68 115.11 116.30 1qvx h GLN 944 Ca -0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1qvx h GLN 944 Cb 0.47 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1qvx h GLN 944 CO 0.03 -0.39 0.00 -0.35 -0.67 0.00 0.00 178.83 177.45 1qvx n PRO 945 N -5.14 3.86 -3.94 1.46 -0.04 -1.21 -4.98 135.00 125.01 1qvx n PRO 945 Ca -0.07 -2.68 -0.32 0.00 -0.04 0.00 0.00 63.50 60.39 1qvx n PRO 945 Cb 0.36 -1.97 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvx s ALA 946 N -2.10 3.92 0.85 0.55 0.00 -0.98 -5.12 121.76 118.88 1qvx s ALA 946 Ca 0.47 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1qvx s ALA 946 Cb 0.33 -1.79 0.16 0.00 0.00 0.00 0.00 23.12 21.82 1qvx s ALA 946 CO 0.19 0.79 1.03 -0.35 0.00 0.00 0.00 175.76 177.43 1qvx n PRO 947 N 0.56 -0.58 -0.25 0.00 -0.04 -1.26 -4.92 135.00 128.52 1qvx n PRO 947 Ca -0.08 -2.14 0.20 0.00 -0.04 0.00 0.00 63.50 61.45 1qvx n PRO 947 Cb 0.52 -0.90 0.53 0.00 -0.04 0.00 0.00 33.50 33.61 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1qvx h PRO 948 N 0.00 0.36 -0.97 0.54 0.13 -1.98 -0.78 132.00 129.30 1qvx h PRO 948 Ca -0.34 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.91 1qvx h PRO 948 Cb 1.07 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.04 1qvx h PRO 948 CO 0.29 0.24 0.61 0.93 -0.23 0.00 0.00 178.00 179.84 1qvx h GLU 949 N 0.37 0.84 -0.16 0.86 5.08 -1.96 0.92 114.58 120.53 1qvx h GLU 949 Ca 0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1qvx h GLU 949 Cb 1.25 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1qvx h GLU 949 CO -0.17 0.56 0.00 0.39 -1.00 0.00 0.00 179.01 178.78 1qvx n GLU 950 N -4.62 2.13 -0.17 2.33 4.71 -0.32 -3.80 120.64 120.90 1qvx n GLU 950 Ca 0.19 -1.67 -0.07 0.00 -0.01 0.00 0.00 57.16 55.60 1qvx n GLU 950 Cb 0.42 -1.47 0.09 0.00 -1.01 0.00 0.00 31.44 29.47 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1qvx h TYR 951 N 3.66 1.02 0.24 -0.32 0.05 -0.52 0.22 116.97 121.32 1qvx h TYR 951 Ca 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1qvx h TYR 951 Cb 0.79 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1qvx h TYR 951 CO 0.10 0.91 -0.12 -0.24 -1.05 0.00 0.00 178.16 177.76 1qvx h VAL 952 N 0.87 0.66 -0.92 -2.88 3.04 -1.63 -3.18 116.25 112.22 1qvx h VAL 952 Ca 0.16 -0.91 0.25 0.00 -1.01 0.00 0.00 66.70 65.19 1qvx h VAL 952 Cb 0.51 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.81 1qvx h VAL 952 CO 0.02 0.16 0.64 -0.65 -1.01 0.00 0.00 177.57 176.73 1qvx h PRO 953 N -0.89 0.15 -0.31 4.17 0.11 -1.67 0.28 132.00 133.85 1qvx h PRO 953 Ca -0.03 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1qvx h PRO 953 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1qvx h PRO 953 CO 0.05 0.10 0.01 0.00 -0.21 0.00 0.00 178.00 177.96 1qvx h MET 954 N 0.16 0.53 0.00 1.05 -0.00 -0.60 0.49 114.93 116.56 1qvx h MET 954 Ca 0.46 -0.16 -0.06 0.00 -0.00 0.00 0.00 59.70 59.94 1qvx h MET 954 Cb 1.55 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 33.09 1qvx h MET 954 CO -0.08 0.66 -0.27 0.28 -0.00 0.00 0.00 176.91 177.49 1qvx h VAL 955 N 0.33 0.75 -0.74 -0.10 2.07 -1.39 -2.55 116.25 114.62 1qvx h VAL 955 Ca 0.09 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1qvx h VAL 955 Cb 0.41 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1qvx h VAL 955 CO 0.01 0.27 0.42 0.50 0.02 0.00 0.00 177.57 178.79 1qvx h LYS 956 N 0.00 1.02 -0.68 1.57 3.64 0.16 0.12 116.57 122.40 1qvx h LYS 956 Ca -0.00 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1qvx h LYS 956 Cb 0.71 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1qvx h LYS 956 CO 0.04 0.74 0.31 0.93 -2.27 0.00 0.00 179.45 179.19 1qvx h GLU 957 N 1.03 0.51 0.00 1.90 4.39 -0.51 0.21 114.58 122.11 1qvx h GLU 957 Ca 0.26 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1qvx h GLU 957 Cb 0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1qvx h GLU 957 CO -0.04 0.34 -0.24 0.28 -1.16 0.00 0.00 179.01 178.18 1qvx h VAL 958 N 0.53 1.04 -0.17 3.13 2.07 -0.98 -2.16 116.25 119.70 1qvx h VAL 958 Ca 0.34 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1qvx h VAL 958 Cb 0.39 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1qvx h VAL 958 CO -0.29 0.24 -0.39 1.23 0.02 0.00 0.00 177.57 178.38 1qvx h GLY 959 N 0.87 0.63 1.78 2.17 0.00 0.11 -2.39 103.07 106.25 1qvx h GLY 959 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1qvx h GLY 959 CO 0.03 0.68 -0.02 1.41 0.00 0.00 0.00 176.54 178.64 1qvx h LEU 960 N 0.23 0.25 0.16 3.11 -0.00 -1.20 -1.79 115.31 116.07 1qvx h LEU 960 Ca 0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1qvx h LEU 960 Cb 1.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.55 1qvx h LEU 960 CO 0.09 0.32 -0.35 0.00 -0.00 0.00 0.00 178.44 178.50 1qvx h ALA 961 N 1.71 -0.62 -0.38 1.53 0.00 -1.02 0.43 119.26 120.90 1qvx h ALA 961 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 961 Cb 0.22 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1qvx h ALA 961 CO 0.01 -0.91 -0.14 1.25 0.00 0.00 0.00 179.25 179.46 1qvx h LEU 962 N -0.60 0.69 -0.12 0.00 5.85 -1.27 -2.43 115.31 117.42 1qvx h LEU 962 Ca 0.02 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1qvx h LEU 962 Cb 0.61 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1qvx h LEU 962 CO -0.18 0.84 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.68 1qvx h ARG 963 N 0.63 0.04 -0.85 1.25 2.43 -0.94 0.74 114.38 117.68 1qvx h ARG 963 Ca 0.11 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.43 1qvx h ARG 963 Cb 0.60 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1qvx h ARG 963 CO 0.04 0.03 0.56 1.15 -1.51 0.00 0.00 179.97 180.23 1qvx h THR 964 N 0.04 0.79 -0.50 0.20 2.02 -0.81 -0.46 112.91 114.17 1qvx h THR 964 Ca 0.06 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1qvx h THR 964 Cb 0.07 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1qvx h THR 964 CO -0.10 0.10 -0.04 -0.07 0.37 0.00 0.00 175.52 175.78 1qvx h LEU 965 N 0.54 0.86 -1.74 2.58 3.38 -0.59 -1.97 115.31 118.38 1qvx h LEU 965 Ca 0.43 -0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.37 1qvx h LEU 965 Cb 0.86 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1qvx h LEU 965 CO -0.17 0.95 0.58 0.25 0.09 0.00 0.00 178.44 180.13 1qvx h LEU 966 N 0.81 0.22 -0.10 1.67 6.46 0.80 0.77 115.31 125.94 1qvx h LEU 966 Ca 0.14 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1qvx h LEU 966 Cb 0.54 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1qvx h LEU 966 CO 0.03 0.09 -0.08 0.00 -0.62 0.00 0.00 178.44 177.86 1qvx h ALA 967 N 1.61 0.14 -0.09 1.25 0.00 -1.24 -2.53 119.26 118.40 1qvx h ALA 967 Ca 0.42 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1qvx h ALA 967 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1qvx h ALA 967 CO -0.10 -0.04 -0.45 0.00 0.00 0.00 0.00 179.25 178.66 1qvx h THR 968 N -0.17 1.33 -0.59 0.00 1.03 -0.83 -0.61 112.91 113.06 1qvx h THR 968 Ca 0.02 -1.62 0.12 0.00 -0.01 0.00 0.00 66.41 64.93 1qvx h THR 968 Cb 0.58 1.76 -0.03 0.00 -1.07 0.00 0.00 68.15 69.38 1qvx h THR 968 CO 0.02 0.48 0.40 0.58 -0.01 0.00 0.00 175.52 176.99 1qvx h VAL 969 N 0.19 0.83 0.00 0.00 2.07 0.45 -1.15 116.25 118.63 1qvx h VAL 969 Ca 0.01 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1qvx h VAL 969 Cb 0.87 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1qvx h VAL 969 CO 0.07 0.05 -0.30 -0.78 0.02 0.00 0.00 177.57 176.63 1qvx h ASP 970 N 0.26 0.00 -0.02 0.57 3.58 -0.65 0.76 116.42 120.92 1qvx h ASP 970 Ca 0.28 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1qvx h ASP 970 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1qvx h ASP 970 CO -0.06 0.30 0.00 -0.33 -2.88 0.00 0.00 179.24 176.27 1qvx h GLU 971 N 0.00 0.04 0.00 0.28 4.39 -1.11 -3.02 114.58 115.16 1qvx h GLU 971 Ca -0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1qvx h GLU 971 Cb 0.78 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1qvx h GLU 971 CO 0.04 0.30 -0.13 1.03 -1.16 0.00 0.00 179.01 179.09 1qvx h SER 972 N -0.23 0.00 0.30 1.42 0.87 -0.84 -3.24 113.55 111.84 1qvx h SER 972 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qvx h SER 972 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1qvx h SER 972 CO 0.00 0.13 -0.14 0.25 -0.53 0.00 0.00 176.83 176.53 1qvx h LEU 973 N 0.00 -0.34 -2.03 2.23 7.12 0.65 0.48 115.31 123.41 1qvx h LEU 973 Ca -0.00 -0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.10 1qvx h LEU 973 Cb 0.39 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 1qvx h LEU 973 CO 0.02 -0.18 0.36 1.55 -0.13 0.00 0.00 178.44 180.06 1qvx h PRO 974 N -0.48 0.00 0.00 5.25 0.13 -1.65 0.39 132.00 135.64 1qvx h PRO 974 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1qvx h PRO 974 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1qvx h PRO 974 CO 0.07 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.12 1qvx n VAL 975 N -4.15 0.44 0.06 1.56 0.31 0.04 -3.26 118.33 113.33 1qvx n VAL 975 Ca 0.08 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 1qvx n VAL 975 Cb 0.56 -0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 1qvx n VAL 975 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1qvx h LEU 976 N 0.00 -0.14 -1.63 7.52 6.46 0.43 0.31 115.31 128.26 1qvx h LEU 976 Ca 0.00 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1qvx h LEU 976 Cb 0.48 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1qvx h LEU 976 CO 0.00 0.24 0.15 -0.65 -0.62 0.00 0.00 178.44 177.56 1qvx h PRO 977 N -0.55 0.39 0.50 5.25 0.11 -1.61 -2.49 132.00 133.60 1qvx h PRO 977 Ca -0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1qvx h PRO 977 Cb 0.43 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1qvx h PRO 977 CO 0.03 0.30 -0.24 0.00 -0.21 0.00 0.00 178.00 177.88 1qvx h ALA 978 N 1.77 -0.67 0.00 -0.75 0.00 -1.49 -3.47 119.26 114.65 1qvx h ALA 978 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qvx h ALA 978 Cb 0.03 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qvx h ALA 978 CO -0.02 -0.87 0.00 0.43 0.00 0.00 0.00 179.25 178.79 1qvx n SER 979 N -5.37 0.00 0.33 0.00 7.64 0.71 -4.86 113.62 112.07 1qvx n SER 979 Ca -0.12 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.91 1qvx n SER 979 Cb 0.28 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 64.24 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qvx h THR 980 N 0.00 0.01 -0.23 0.44 2.02 -0.57 -3.24 112.91 111.35 1qvx h THR 980 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1qvx h THR 980 Cb 0.00 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1qvx h THR 980 CO 0.00 0.00 0.57 1.12 0.37 0.00 0.00 175.52 177.58 1qvx h HIS 981 N 0.00 0.00 0.24 3.16 2.07 -1.66 -0.16 115.15 118.80 1qvx h HIS 981 Ca 0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 1qvx h HIS 981 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1qvx h HIS 981 CO 0.00 0.00 -0.11 -0.09 -3.07 0.00 0.00 177.93 174.66 1qvx h ARG 982 N 0.00 -0.31 0.06 5.12 2.43 -1.87 -3.10 114.38 116.71 1qvx h ARG 982 Ca 0.11 0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 1qvx h ARG 982 Cb 1.24 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.88 1qvx h ARG 982 CO -0.00 0.06 -0.97 0.93 -1.51 0.00 0.00 179.97 178.48 1qvx h GLU 983 N -0.83 0.54 -0.06 0.20 3.07 -1.50 -3.13 114.58 112.88 1qvx h GLU 983 Ca -0.03 -0.67 -0.01 0.00 -0.50 0.00 0.00 59.36 58.15 1qvx h GLU 983 Cb 0.51 0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1qvx h GLU 983 CO 0.05 1.28 -0.01 0.97 -1.40 0.00 0.00 179.01 179.90 1qvx h ILE 984 N 0.11 1.05 -0.09 3.13 6.09 -1.23 0.32 117.51 126.88 1qvx h ILE 984 Ca -0.14 -0.17 -0.17 0.00 -1.37 0.00 0.00 64.86 63.01 1qvx h ILE 984 Cb 1.67 1.01 0.01 0.00 0.47 0.00 0.00 36.82 39.97 1qvx h ILE 984 CO 0.19 0.06 -0.59 -0.33 -3.07 0.00 0.00 178.15 174.40 1qvx h GLU 985 N 0.08 0.57 0.23 2.19 5.08 -1.63 -3.05 114.58 118.04 1qvx h GLU 985 Ca 0.02 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1qvx h GLU 985 Cb 0.07 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qvx h GLU 985 CO 0.00 1.11 -0.11 0.00 -1.00 0.00 0.00 179.01 179.01 1qvx h MET 986 N 0.18 -0.29 0.00 2.33 -0.00 -0.91 -2.71 114.93 113.53 1qvx h MET 986 Ca -0.05 0.02 -0.22 0.00 -0.00 0.00 0.00 59.70 59.45 1qvx h MET 986 Cb 1.25 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 1qvx h MET 986 CO 0.12 -0.04 -0.94 0.00 -0.00 0.00 0.00 176.91 176.05 1qvx h ALA 987 N 0.20 0.37 0.36 -3.00 0.00 -1.49 -1.70 119.26 114.00 1qvx h ALA 987 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1qvx h ALA 987 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qvx h ALA 987 CO 0.05 0.82 -0.26 1.96 0.00 0.00 0.00 179.25 181.82 1qvx h GLN 988 N 0.22 -0.59 -0.74 0.00 4.20 -1.57 0.69 115.11 117.33 1qvx h GLN 988 Ca -0.08 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1qvx h GLN 988 Cb 1.57 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.44 1qvx h GLN 988 CO 0.16 -0.39 0.48 -0.22 -0.67 0.00 0.00 178.83 178.19 1qvx h LYS 989 N -0.61 0.79 0.78 1.46 3.64 -1.52 0.53 116.57 121.63 1qvx h LYS 989 Ca -0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1qvx h LYS 989 Cb 0.53 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1qvx h LYS 989 CO 0.00 0.52 -0.38 1.25 -2.27 0.00 0.00 179.45 178.58 1qvx h LEU 990 N 0.81 -0.89 -0.92 5.20 5.85 -0.44 -2.98 115.31 121.94 1qvx h LEU 990 Ca 0.31 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1qvx h LEU 990 Cb 0.20 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 990 CO -0.10 -0.63 -0.21 0.17 -0.34 0.00 0.00 178.44 177.33 1qvx h LEU 991 N -1.08 0.00 -1.07 2.25 8.10 0.63 -2.08 115.31 122.06 1qvx h LEU 991 Ca -0.11 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.82 1qvx h LEU 991 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.01 1qvx h LEU 991 CO 0.18 0.21 -0.01 -1.13 -4.11 0.00 0.00 178.44 173.58 1qvx h ASN 992 N 0.00 0.62 0.26 0.17 -0.73 -0.94 0.11 115.58 115.07 1qvx h ASN 992 Ca -0.00 -0.14 -0.24 0.00 1.87 0.00 0.00 56.30 57.79 1qvx h ASN 992 Cb 0.82 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 39.25 1qvx h ASN 992 CO 0.03 0.69 -0.98 0.28 -0.37 0.00 0.00 177.43 177.08 1qvx h SER 993 N 0.61 0.63 0.24 1.15 0.02 -1.22 -2.99 113.55 111.99 1qvx h SER 993 Ca 0.12 -0.51 -0.34 0.00 -0.84 0.00 0.00 61.79 60.23 1qvx h SER 993 Cb 0.40 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1qvx h SER 993 CO 0.02 1.31 -2.03 -0.67 -1.14 0.00 0.00 176.83 174.31 1qvx n ASP 994 N -3.77 0.96 -0.26 3.07 -0.08 -1.04 -1.05 116.55 114.38 1qvx n ASP 994 Ca -0.08 0.20 0.03 0.00 -1.51 0.00 0.00 54.79 53.43 1qvx n ASP 994 Cb 0.85 0.06 0.25 0.00 2.34 0.00 0.00 41.12 44.63 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1qvx h LEU 995 N 0.01 0.88 -0.46 -2.67 7.12 -0.93 0.22 115.31 119.47 1qvx h LEU 995 Ca -0.42 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.48 1qvx h LEU 995 Cb 2.07 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.99 1qvx h LEU 995 CO 0.05 0.59 -0.14 0.00 -0.13 0.00 0.00 178.44 178.81 1qvx h ALA 996 N 1.52 0.64 -0.71 1.25 0.00 -1.51 0.56 119.26 121.01 1qvx h ALA 996 Ca 0.34 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 996 Cb 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1qvx h ALA 996 CO -0.11 0.56 0.32 0.93 0.00 0.00 0.00 179.25 180.96 1qvx h GLU 997 N 0.75 0.52 0.00 0.00 4.39 -0.18 0.32 114.58 120.38 1qvx h GLU 997 Ca 0.11 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1qvx h GLU 997 Cb 0.70 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1qvx h GLU 997 CO 0.05 0.34 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.73 1qvx h LEU 998 N 0.53 0.00 -0.42 1.33 -0.00 -0.22 0.38 115.31 116.91 1qvx h LEU 998 Ca 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1qvx h LEU 998 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 1qvx h LEU 998 CO -0.31 0.45 0.25 0.40 -0.00 0.00 0.00 178.44 179.22 1qvx h ILE 999 N 0.00 1.14 0.00 1.22 2.04 0.67 0.56 117.51 123.14 1qvx h ILE 999 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1qvx h ILE 999 Cb 0.82 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1qvx h ILE 999 CO 0.06 0.15 -0.22 -0.55 0.00 0.00 0.00 178.15 177.58 1qvx h ASN 1000N 0.55 0.00 0.91 1.72 7.08 -0.55 -2.02 115.58 123.28 1qvx h ASN 1000Ca 0.15 -0.07 -0.17 0.00 -3.08 0.00 0.00 56.30 53.13 1qvx h ASN 1000Cb 0.02 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.23 1qvx h ASN 1000CO -0.03 0.03 -1.17 0.11 -2.08 0.00 0.00 177.43 174.30 1qvx h LYS 1001N 0.00 0.00 -0.05 4.14 1.57 0.23 0.60 116.57 123.06 1qvx h LYS 1001Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1qvx h LYS 1001Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1qvx h LYS 1001CO 0.00 0.45 -0.75 0.00 -0.57 0.00 0.00 179.45 178.57 1qvx h MET 1002N 0.00 0.33 0.00 3.15 -0.00 0.11 0.04 114.93 118.56 1qvx h MET 1002Ca -0.12 -0.29 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 1qvx h MET 1002Cb 1.61 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 33.27 1qvx h MET 1002CO 0.06 0.94 0.00 -0.22 -0.00 0.00 0.00 176.91 177.70 1qvx h LYS 1003N 0.22 0.00 0.00 -0.10 3.64 -1.33 -2.97 116.57 116.04 1qvx h LYS 1003Ca -0.03 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1qvx h LYS 1003Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1qvx h LYS 1003CO 0.12 0.00 -0.53 1.25 -2.27 0.00 0.00 179.45 178.02 1qvx h LEU 1004N 0.00 0.00 -1.13 5.20 5.85 0.10 0.65 115.31 125.98 1qvx h LEU 1004Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1qvx h LEU 1004Cb 0.63 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1qvx h LEU 1004CO 0.00 0.99 0.55 0.00 -0.34 0.00 0.00 178.44 179.64 1qvx h ALA 1005N -0.63 1.36 0.00 1.25 0.00 -1.14 0.11 119.26 120.22 1qvx h ALA 1005Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 1005Cb 0.76 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qvx h ALA 1005CO -0.07 0.58 -0.32 -0.56 0.00 0.00 0.00 179.25 178.88 1qvx h GLN 1006N 1.17 0.00 -0.30 0.00 -0.00 -1.65 -0.19 115.11 114.14 1qvx h GLN 1006Ca 0.31 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.83 1qvx h GLN 1006Cb -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.36 1qvx h GLN 1006CO -0.07 0.32 -0.31 0.37 -0.00 0.00 0.00 178.83 179.14 1qvx h GLN 1007N 0.00 0.74 0.35 0.06 5.75 0.90 -3.31 115.11 119.60 1qvx h GLN 1007Ca -0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.08 1qvx h GLN 1007Cb 1.06 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1qvx h GLN 1007CO 0.04 1.02 -0.17 -0.92 -2.65 0.00 0.00 178.83 176.15 1qvx h TYR 1008N 0.49 -0.43 -5.85 3.99 3.20 -0.80 -3.46 116.97 114.11 1qvx h TYR 1008Ca 0.05 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.64 1qvx h TYR 1008Cb 0.89 0.14 -0.15 0.00 1.54 0.00 0.00 36.73 39.15 1qvx h TYR 1008CO 0.07 -0.27 -0.39 1.55 -1.64 0.00 0.00 178.16 177.49 1qvx n VAL 1009N -4.27 -0.07 -3.07 1.81 3.14 -0.09 -4.88 118.33 110.89 1qvx n VAL 1009Ca -0.06 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.88 1qvx n VAL 1009Cb 0.18 -0.33 -0.04 0.00 -1.06 0.00 0.00 33.84 32.59 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1qvx s MET 1010N -5.92 3.11 0.18 1.45 0.00 -1.26 -4.96 119.30 111.91 1qvx s MET 1010Ca 0.34 -1.34 -0.04 0.00 0.00 0.00 0.00 55.69 54.66 1qvx s MET 1010Cb -0.20 -4.31 0.34 0.00 0.00 0.00 0.00 34.83 30.65 1qvx s MET 1010CO 0.42 -1.59 1.00 -2.37 0.00 0.00 0.00 175.02 172.48 1qvx n THR 1011N 5.52 -0.27 0.06 10.11 5.66 -1.26 0.90 114.28 135.00 1qvx n THR 1011Ca -0.05 1.45 -0.20 0.00 -3.05 0.00 0.00 64.05 62.19 1qvx n THR 1011Cb 0.43 -2.03 -0.14 0.00 -1.55 0.00 0.00 70.33 67.04 1qvx n THR 1011CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1qvx h SER 1012N 0.00 0.53 0.56 1.09 0.02 -2.01 -3.31 113.55 110.42 1qvx h SER 1012Ca 0.32 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1qvx h SER 1012Cb 0.54 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1qvx h SER 1012CO -0.64 1.42 -0.20 0.18 -1.14 0.00 0.00 176.83 176.44 1qvx n LEU 1013N -4.08 0.39 0.06 5.07 7.99 0.67 -3.91 117.00 123.19 1qvx n LEU 1013Ca -0.14 0.11 0.05 0.00 -0.01 0.00 0.00 56.01 56.02 1qvx n LEU 1013Cb 0.85 -0.28 0.47 0.00 -0.11 0.00 0.00 43.42 44.34 1qvx n LEU 1013CO 0.50 0.08 1.13 -0.61 -1.51 0.00 0.00 177.39 176.98 1qvx h GLN 1014N 0.30 0.42 -0.76 3.23 -0.00 0.43 -2.49 115.11 116.24 1qvx h GLN 1014Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.66 1qvx h GLN 1014Cb 0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.79 1qvx h GLN 1014CO 0.00 0.29 0.50 -0.56 0.00 0.00 0.00 178.83 179.05 1qvx h GLN 1015N 0.43 0.87 -1.00 1.69 3.07 -1.78 0.64 115.11 119.02 1qvx h GLN 1015Ca 0.11 -0.05 0.21 0.00 0.09 0.00 0.00 58.65 59.02 1qvx h GLN 1015Cb -0.03 -0.20 -0.11 0.00 0.08 0.00 0.00 27.48 27.22 1qvx h GLN 1015CO -0.02 0.57 0.61 1.49 0.09 0.00 0.00 178.83 181.57 1qvx h GLU 1016N 0.89 0.66 0.00 0.06 4.81 -1.73 0.28 114.58 119.56 1qvx h GLU 1016Ca 0.31 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1qvx h GLU 1016Cb 0.10 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1qvx h GLU 1016CO -0.09 0.44 -0.83 1.88 -0.73 0.00 0.00 179.01 179.67 1qvx h TYR 1017N 0.68 0.00 -0.22 0.92 -1.99 -1.06 -3.09 116.97 112.21 1qvx h TYR 1017Ca 0.61 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.25 1qvx h TYR 1017Cb 1.05 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 1qvx h TYR 1017CO -0.00 0.40 -0.21 -0.22 -0.00 0.00 0.00 178.16 178.12 1qvx h LYS 1018N 0.00 0.53 0.58 4.88 3.64 0.01 -1.48 116.57 124.74 1qvx h LYS 1018Ca -0.06 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1qvx h LYS 1018Cb 1.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1qvx h LYS 1018CO 0.04 0.86 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.48 1qvx h LYS 1019N 0.21 -0.88 -0.81 1.90 3.64 -0.56 0.13 116.57 120.20 1qvx h LYS 1019Ca 0.03 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1qvx h LYS 1019Cb 0.76 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1qvx h LYS 1019CO 0.05 -0.59 0.53 1.96 -2.27 0.00 0.00 179.45 179.13 1qvx h GLN 1020N -0.92 0.82 -0.56 1.90 4.20 -1.63 -1.12 115.11 117.79 1qvx h GLN 1020Ca -0.07 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1qvx h GLN 1020Cb 0.75 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1qvx h GLN 1020CO 0.06 0.54 0.13 1.98 -0.67 0.00 0.00 178.83 180.86 1qvx h MET 1021N 0.84 0.90 -0.52 1.46 4.05 -0.72 -0.52 114.93 120.43 1qvx h MET 1021Ca 0.36 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1qvx h MET 1021Cb 0.30 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1qvx h MET 1021CO -0.13 0.85 0.01 1.25 0.23 0.00 0.00 176.91 179.12 1qvx h LEU 1022N 0.80 0.89 -1.45 3.39 5.85 -0.11 0.12 115.31 124.80 1qvx h LEU 1022Ca 0.17 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1qvx h LEU 1022Cb 0.36 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1qvx h LEU 1022CO 0.00 0.97 -0.27 0.74 -0.34 0.00 0.00 178.44 179.55 1qvx h THR 1023N 0.78 1.20 0.19 1.05 2.02 -1.04 -2.23 112.91 114.88 1qvx h THR 1023Ca 0.15 -0.93 -0.32 0.00 0.77 0.00 0.00 66.41 66.08 1qvx h THR 1023Cb 0.51 1.49 0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1qvx h THR 1023CO 0.02 0.27 -1.36 0.00 0.37 0.00 0.00 175.52 174.82 1qvx h ALA 1024N 1.72 -0.09 -0.16 6.16 0.00 -0.63 -3.00 119.26 123.26 1qvx h ALA 1024Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1qvx h ALA 1024Cb 0.48 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qvx h ALA 1024CO 0.04 0.68 0.10 0.00 0.00 0.00 0.00 179.25 180.07 1qvx h ALA 1025N 0.22 1.88 -0.56 0.00 0.00 -0.47 0.10 119.26 120.42 1qvx h ALA 1025Ca -0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1qvx h ALA 1025Cb 2.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1qvx h ALA 1025CO 0.26 0.11 0.05 1.25 0.00 0.00 0.00 179.25 180.92 1qvx h HIS 1026N 0.22 0.99 -0.19 0.00 2.76 -1.34 -0.20 115.15 117.40 1qvx h HIS 1026Ca 0.06 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1qvx h HIS 1026Cb -0.01 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1qvx h HIS 1026CO 0.00 0.87 -0.02 0.00 -1.30 0.00 0.00 177.93 177.47 1qvx h ALA 1027N 1.18 0.25 -0.15 5.26 0.00 -0.72 -0.93 119.26 124.16 1qvx h ALA 1027Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 1027Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 1027CO 0.02 -0.01 -0.27 1.25 0.00 0.00 0.00 179.25 180.24 1qvx h LEU 1028N 0.08 0.27 -1.56 0.00 6.46 -1.11 0.11 115.31 119.55 1qvx h LEU 1028Ca 0.05 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1qvx h LEU 1028Cb 0.44 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1qvx h LEU 1028CO 0.01 0.55 0.23 0.00 -0.62 0.00 0.00 178.44 178.61 1qvx h ALA 1029N 1.47 1.67 -0.00 1.25 0.00 -0.83 -0.72 119.26 122.10 1qvx h ALA 1029Ca 0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 1029Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 1029CO 0.04 0.29 -0.85 0.28 0.00 0.00 0.00 179.25 179.01 1qvx h VAL 1030N 0.53 1.50 -0.58 0.00 2.07 0.43 0.39 116.25 120.59 1qvx h VAL 1030Ca 0.14 -2.60 0.02 0.00 0.82 0.00 0.00 66.70 65.08 1qvx h VAL 1030Cb -0.01 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1qvx h VAL 1030CO -0.03 0.76 0.37 0.44 0.02 0.00 0.00 177.57 179.13 1qvx h ASP 1031N 0.10 0.62 0.19 0.57 5.19 -0.31 0.42 116.42 123.18 1qvx h ASP 1031Ca -0.04 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1qvx h ASP 1031Cb 1.47 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 1qvx h ASP 1031CO 0.13 0.44 -0.16 0.00 -3.12 0.00 0.00 179.24 176.52 1qvx h ALA 1032N 1.23 -0.34 -0.95 3.45 0.00 -0.99 -2.27 119.26 119.39 1qvx h ALA 1032Ca 0.22 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1qvx h ALA 1032Cb -0.03 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1qvx h ALA 1032CO -0.07 -0.71 0.60 -0.22 0.00 0.00 0.00 179.25 178.85 1qvx h LYS 1033N -0.37 0.76 -0.25 0.00 3.11 -0.20 0.44 116.57 120.06 1qvx h LYS 1033Ca -0.00 -0.05 -0.20 0.00 -2.81 0.00 0.00 60.65 57.59 1qvx h LYS 1033Cb 0.34 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1qvx h LYS 1033CO -0.03 0.50 -0.61 -0.97 -2.81 0.00 0.00 179.45 175.53 1qvx h ASN 1034N 0.78 0.97 0.75 4.20 -1.24 -0.04 -2.75 115.58 118.24 1qvx h ASN 1034Ca 0.49 -0.55 -0.14 0.00 0.71 0.00 0.00 56.30 56.81 1qvx h ASN 1034Cb 0.72 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1qvx h ASN 1034CO -0.26 1.35 -0.68 0.25 -1.29 0.00 0.00 177.43 176.81 1qvx h LEU 1035N 0.64 0.00 -1.11 0.34 5.85 -0.59 0.46 115.31 120.90 1qvx h LEU 1035Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1qvx h LEU 1035Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1qvx h LEU 1035CO 0.13 0.68 -0.35 0.17 -0.34 0.00 0.00 178.44 178.73 1qvx h LEU 1036N 0.00 0.00 0.14 2.25 8.10 -0.98 0.31 115.31 125.13 1qvx h LEU 1036Ca -0.01 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.68 1qvx h LEU 1036Cb 1.23 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.48 1qvx h LEU 1036CO 0.09 0.35 -1.30 -0.78 -4.11 0.00 0.00 178.44 172.69 1qvx h ASP 1037N 0.00 0.86 -0.04 0.17 3.58 -1.08 -0.61 116.42 119.30 1qvx h ASP 1037Ca -0.00 -0.82 0.04 0.00 0.42 0.00 0.00 57.03 56.66 1qvx h ASP 1037Cb 0.79 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.52 1qvx h ASP 1037CO 0.05 1.62 -0.37 0.58 -2.88 0.00 0.00 179.24 178.24 1qvx h VAL 1038N 0.24 0.23 0.00 2.25 2.07 0.57 -0.88 116.25 120.73 1qvx h VAL 1038Ca -0.20 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.11 1qvx h VAL 1038Cb 1.98 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1qvx h VAL 1038CO 0.25 0.00 -1.79 2.30 0.02 0.00 0.00 177.57 178.35 1qvx n ILE 1039N -5.43 1.11 -0.28 4.57 -5.35 0.10 0.57 119.36 114.65 1qvx n ILE 1039Ca -0.05 -0.72 0.02 0.00 -0.27 0.00 0.00 62.75 61.74 1qvx n ILE 1039Cb 0.35 -0.59 0.16 0.00 -1.74 0.00 0.00 39.64 37.82 1qvx n ILE 1039CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1qvx h ASP 1040N 0.00 0.65 1.53 7.28 3.58 -1.19 -0.95 116.42 127.32 1qvx h ASP 1040Ca -0.26 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1qvx h ASP 1040Cb 1.72 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.69 1qvx h ASP 1040CO 0.04 0.37 -0.24 1.56 -2.88 0.00 0.00 179.24 178.10 1qvx h GLN 1041N 0.77 0.00 -0.27 0.28 4.20 -1.08 -2.90 115.11 116.11 1qvx h GLN 1041Ca 0.39 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.16 1qvx h GLN 1041Cb 0.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1qvx h GLN 1041CO -0.24 0.24 -0.12 0.00 -0.67 0.00 0.00 178.83 178.04 1qvx h ALA 1042N 1.76 0.11 -0.92 3.87 0.00 0.14 1.39 119.26 125.61 1qvx h ALA 1042Ca -0.00 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1qvx h ALA 1042Cb 1.06 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1qvx h ALA 1042CO 0.03 -0.52 0.59 0.00 0.00 0.00 0.00 179.25 179.35 1qvx h ARG 1043N -0.07 0.80 0.00 0.00 2.47 -1.09 0.30 114.38 116.78 1qvx h ARG 1043Ca 0.14 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.73 1qvx h ARG 1043Cb 0.28 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1qvx h ARG 1043CO -0.32 0.53 -0.40 1.25 0.56 0.00 0.00 179.97 181.59 1qvx h LEU 1044N 0.82 0.00 -0.47 3.04 5.85 -0.85 -1.56 115.31 122.14 1qvx h LEU 1044Ca 0.45 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.05 1qvx h LEU 1044Cb 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1qvx h LEU 1044CO -0.21 0.40 -0.16 0.11 -0.34 0.00 0.00 178.44 178.23 1qvx h LYS 1045N 0.00 0.93 -0.38 1.25 1.79 0.52 1.09 116.57 121.76 1qvx h LYS 1045Ca -0.00 -0.38 0.01 0.00 -2.18 0.00 0.00 60.65 58.10 1qvx h LYS 1045Cb 0.78 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1qvx h LYS 1045CO 0.05 1.04 0.23 1.98 -1.08 0.00 0.00 179.45 181.67 1qvx h MET 1046N 0.78 0.46 0.08 3.15 4.05 -0.49 -1.91 114.93 121.04 1qvx h MET 1046Ca 0.11 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1qvx h MET 1046Cb 0.72 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1qvx h MET 1046CO 0.06 0.30 -0.04 0.82 0.23 0.00 0.00 176.91 178.28 1qvx h ILE 1047N 0.47 0.92 -0.93 1.77 1.08 -0.98 0.21 117.51 120.05 1qvx h ILE 1047Ca 0.15 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.84 1qvx h ILE 1047Cb -0.01 0.92 -0.17 0.00 -3.07 0.00 0.00 36.82 34.49 1qvx h ILE 1047CO -0.06 0.00 -0.07 0.28 -0.69 0.00 0.00 178.15 177.61 1qvx h SER 1048N -0.11 -0.59 0.08 1.72 0.02 0.19 0.44 113.55 115.31 1qvx h SER 1048Ca -0.01 0.26 -0.37 0.00 -0.84 0.00 0.00 61.79 60.84 1qvx h SER 1048Cb 0.09 0.49 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 1qvx h SER 1048CO 0.01 -0.30 -2.26 1.67 -1.14 0.00 0.00 176.83 174.81 1qvx n GLN 1049N -5.50 0.68 0.01 3.45 7.27 -0.78 -3.94 117.38 118.58 1qvx n GLN 1049Ca 0.18 0.16 -0.09 0.00 0.07 0.00 0.00 57.00 57.32 1qvx n GLN 1049Cb 0.60 -1.59 -0.13 0.00 2.41 0.00 0.00 30.24 31.52 1qvx n GLN 1049CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1qvx h SER 1050N 0.02 0.05 -1.58 1.69 0.02 -0.65 -3.41 113.55 109.69 1qvx h SER 1050Ca -0.50 -0.08 -0.44 0.00 -0.84 0.00 0.00 61.79 59.92 1qvx h SER 1050Cb 2.02 -0.02 -0.30 0.00 0.14 0.00 0.00 62.40 64.24 1qvx h SER 1050CO -0.00 1.07 -0.86 -1.14 -1.14 0.00 0.00 176.83 174.76 1qvx n ARG 1051N -3.19 0.54 -1.75 3.45 0.63 0.15 -5.03 116.66 111.46 1qvx n ARG 1051Ca -0.12 -2.74 -0.42 0.00 -0.92 0.00 0.00 57.85 53.65 1qvx n ARG 1051Cb 1.02 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 32.48 1qvx n ARG 1051CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1qvx n PRO 1052N 2.13 2.60 0.00 -0.14 -0.02 -1.09 -4.45 135.00 134.02 1qvx n PRO 1052Ca 0.21 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 1qvx n PRO 1052Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06