#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 3.04 -3.81 2.89 7.64 -1.26 -4.87 113.62 117.26 1qvx n SER 921 Ca 0.00 -2.47 -0.34 0.00 1.01 0.00 0.00 58.87 57.06 1qvx n SER 921 Cb 0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 64.21 62.63 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qvx n ASN 922 N 0.03 -4.99 -3.36 6.43 4.13 -1.26 -4.90 115.26 111.34 1qvx n ASN 922 Ca 0.17 -1.06 -0.06 0.00 1.68 0.00 0.00 54.58 55.31 1qvx n ASN 922 Cb 0.79 -2.61 0.06 0.00 -1.54 0.00 0.00 39.78 36.48 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 -2.42 -1.88 -0.15 6.41 -0.08 -1.26 -3.52 116.55 113.65 1qvx n ASP 923 Ca -0.13 -0.16 0.22 0.00 -1.51 0.00 0.00 54.79 53.20 1qvx n ASP 923 Cb 0.59 -0.40 0.33 0.00 2.34 0.00 0.00 41.12 43.98 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 -0.03 0.01 0.12 -0.67 0.00 -1.26 0.58 118.16 116.91 1qvx n LYS 924 Ca 0.03 0.84 -0.13 0.00 0.00 0.00 0.00 58.31 59.05 1qvx n LYS 924 Cb 0.11 -2.11 -0.07 0.00 0.00 0.00 0.00 35.03 32.97 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 0.72 0.00 3.15 -1.51 -1.88 0.23 116.25 116.96 1qvx h VAL 925 Ca 0.38 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.77 1qvx h VAL 925 Cb 2.39 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 1qvx h VAL 925 CO -0.00 0.00 -0.37 0.22 -1.23 0.00 0.00 177.57 176.18 1qvx h TYR 926 N -0.29 0.00 0.29 5.19 3.20 0.09 -2.45 116.97 122.99 1qvx h TYR 926 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1qvx h TYR 926 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1qvx h TYR 926 CO -0.11 0.37 -0.14 0.93 -1.64 0.00 0.00 178.16 177.57 1qvx h GLU 927 N 0.00 -0.37 -0.04 1.82 5.08 -1.27 -2.58 114.58 117.23 1qvx h GLU 927 Ca -0.00 0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1qvx h GLU 927 Cb 1.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1qvx h GLU 927 CO 0.05 -0.03 -0.73 -0.97 -1.00 0.00 0.00 179.01 176.33 1qvx h ASN 928 N -0.91 0.28 -0.42 1.42 -0.00 -0.60 -0.23 115.58 115.11 1qvx h ASN 928 Ca -0.04 -0.19 -0.04 0.00 -0.00 0.00 0.00 56.30 56.04 1qvx h ASN 928 Cb 0.51 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.72 1qvx h ASN 928 CO 0.06 0.91 0.15 1.62 -0.00 0.00 0.00 177.43 180.17 1qvx h VAL 929 N 0.15 1.20 -0.06 2.57 3.04 -1.54 0.48 116.25 122.09 1qvx h VAL 929 Ca -0.02 -0.66 -0.15 0.00 -1.01 0.00 0.00 66.70 64.85 1qvx h VAL 929 Cb 1.29 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1qvx h VAL 929 CO 0.11 0.25 -0.64 0.71 -1.01 0.00 0.00 177.57 177.00 1qvx h THR 930 N 0.70 1.40 -0.24 3.17 1.35 -1.26 -2.66 112.91 115.37 1qvx h THR 930 Ca 0.16 -2.06 0.04 0.00 -0.55 0.00 0.00 66.41 64.00 1qvx h THR 930 Cb 0.21 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1qvx h THR 930 CO -0.01 0.61 0.16 1.23 -0.25 0.00 0.00 175.52 177.26 1qvx h GLY 931 N 1.52 0.19 0.94 5.82 0.00 0.84 0.34 103.07 112.73 1qvx h GLY 931 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1qvx h GLY 931 CO 0.10 0.06 0.15 -2.00 0.00 0.00 0.00 176.54 174.84 1qvx h LEU 932 N 0.16 0.36 -1.03 3.11 5.85 0.22 0.23 115.31 124.21 1qvx h LEU 932 Ca 0.10 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1qvx h LEU 932 Cb 0.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1qvx h LEU 932 CO -0.02 0.37 0.25 0.58 -0.34 0.00 0.00 178.44 179.28 1qvx h VAL 933 N 0.33 1.23 -0.17 1.05 2.07 -1.04 0.30 116.25 120.01 1qvx h VAL 933 Ca 0.10 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1qvx h VAL 933 Cb 0.09 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1qvx h VAL 933 CO -0.01 0.29 -0.02 0.11 0.02 0.00 0.00 177.57 177.95 1qvx h LYS 934 N 0.93 0.24 0.00 1.57 1.79 0.16 -1.09 116.57 120.19 1qvx h LYS 934 Ca 0.22 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.55 1qvx h LYS 934 Cb 0.19 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1qvx h LYS 934 CO -0.02 0.29 -0.60 0.00 -1.08 0.00 0.00 179.45 178.04 1qvx h ALA 935 N 1.75 0.69 0.00 3.86 0.00 0.59 -2.35 119.26 123.79 1qvx h ALA 935 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qvx h ALA 935 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 935 CO 0.01 0.60 0.00 1.33 0.00 0.00 0.00 179.25 181.19 1qvx n VAL 936 N -3.16 0.13 0.11 0.00 0.24 -0.02 -1.86 118.33 113.78 1qvx n VAL 936 Ca 0.01 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.34 62.24 1qvx n VAL 936 Cb 0.73 -0.53 0.10 0.00 -1.47 0.00 0.00 33.84 32.67 1qvx n VAL 936 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1qvx h ILE 937 N 0.00 1.49 -0.44 1.34 2.04 -0.69 -2.93 117.51 118.32 1qvx h ILE 937 Ca 0.00 -2.36 0.06 0.00 1.00 0.00 0.00 64.86 63.57 1qvx h ILE 937 Cb 0.53 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 1qvx h ILE 937 CO 0.00 0.68 0.12 -0.33 0.00 0.00 0.00 178.15 178.62 1qvx h GLU 938 N 0.03 0.26 -0.82 2.37 4.39 -1.14 -1.83 114.58 117.84 1qvx h GLU 938 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1qvx h GLU 938 Cb 1.24 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 1qvx h GLU 938 CO 0.09 0.17 0.41 0.00 -1.16 0.00 0.00 179.01 178.52 1qvx h MET 939 N 0.27 1.17 -0.07 2.33 -0.00 -1.40 0.59 114.93 117.82 1qvx h MET 939 Ca 0.21 -0.16 -0.10 0.00 -0.00 0.00 0.00 59.70 59.65 1qvx h MET 939 Cb 0.24 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1qvx h MET 939 CO -0.25 0.89 -0.42 0.66 -0.00 0.00 0.00 176.91 177.80 1qvx h SER 940 N 1.16 0.16 0.19 -0.10 4.64 -1.34 0.67 113.55 118.93 1qvx h SER 940 Ca 0.28 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.29 1qvx h SER 940 Cb 0.10 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1qvx h SER 940 CO -0.04 0.57 -1.09 0.28 -0.87 0.00 0.00 176.83 175.68 1qvx h SER 941 N 0.13 0.62 -0.95 4.97 0.02 -0.59 -3.06 113.55 114.69 1qvx h SER 941 Ca 0.01 -0.94 0.02 0.00 -0.84 0.00 0.00 61.79 60.04 1qvx h SER 941 Cb 0.80 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1qvx h SER 941 CO 0.06 1.52 0.63 0.50 -1.14 0.00 0.00 176.83 178.40 1qvx h LYS 942 N -0.17 1.22 -0.03 3.45 1.63 0.34 -2.18 116.57 120.84 1qvx h LYS 942 Ca -0.19 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.38 1qvx h LYS 942 Cb 1.86 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 33.20 1qvx h LYS 942 CO 0.20 0.81 -0.71 0.97 -3.45 0.00 0.00 179.45 177.27 1qvx h ILE 943 N 1.26 1.45 0.00 2.00 -0.00 -0.94 -3.29 117.51 117.99 1qvx h ILE 943 Ca 0.35 -2.27 0.02 0.00 -0.00 0.00 0.00 64.86 62.96 1qvx h ILE 943 Cb -0.11 2.21 -0.05 0.00 -0.00 0.00 0.00 36.82 38.88 1qvx h ILE 943 CO -0.09 0.66 -0.44 1.56 -0.00 0.00 0.00 178.15 179.84 1qvx h GLN 944 N 0.11 -0.53 -0.64 2.19 4.20 -1.28 -3.00 115.11 116.15 1qvx h GLN 944 Ca -0.02 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1qvx h GLN 944 Cb 1.25 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1qvx h GLN 944 CO 0.10 -0.36 0.00 -0.35 -0.67 0.00 0.00 178.83 177.56 1qvx n PRO 945 N -4.92 3.95 -4.32 1.46 -0.04 -1.25 -4.96 135.00 124.93 1qvx n PRO 945 Ca -0.06 -2.86 -0.28 0.00 -0.04 0.00 0.00 63.50 60.26 1qvx n PRO 945 Cb 0.33 -1.98 -0.11 0.00 -0.04 0.00 0.00 33.50 31.70 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 -2.06 2.73 0.98 0.55 0.00 -1.13 -5.14 121.76 117.69 1qvx s ALA 946 Ca 0.51 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1qvx s ALA 946 Cb 0.34 -0.62 0.22 0.00 0.00 0.00 0.00 23.12 23.06 1qvx s ALA 946 CO 0.22 0.53 1.29 -2.30 0.00 0.00 0.00 175.76 175.50 1qvx n PRO 947 N 0.51 -1.19 0.14 0.00 -0.02 -1.26 -4.85 135.00 128.33 1qvx n PRO 947 Ca -0.14 -2.07 0.19 0.00 -2.02 0.00 0.00 63.50 59.46 1qvx n PRO 947 Cb 0.54 -1.30 0.77 0.00 -0.02 0.00 0.00 33.50 33.49 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qvx h PRO 948 N 0.00 0.00 -0.65 0.52 0.13 -1.97 -0.48 132.00 129.55 1qvx h PRO 948 Ca -0.42 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1qvx h PRO 948 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1qvx h PRO 948 CO 0.30 0.00 0.37 0.93 -0.23 0.00 0.00 178.00 179.37 1qvx h GLU 949 N 0.00 0.67 -0.08 0.86 5.08 -1.94 -1.05 114.58 118.12 1qvx h GLU 949 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1qvx h GLU 949 Cb 0.95 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1qvx h GLU 949 CO -0.00 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.84 1qvx n GLU 950 N -4.78 1.96 -0.16 2.33 4.71 -0.24 -3.83 120.64 120.63 1qvx n GLU 950 Ca 0.08 -1.41 -0.05 0.00 -0.01 0.00 0.00 57.16 55.76 1qvx n GLU 950 Cb 0.15 -1.46 0.04 0.00 -1.01 0.00 0.00 31.44 29.16 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 3.28 0.52 -0.07 -0.32 -1.99 -0.63 0.15 116.97 117.91 1qvx h TYR 951 Ca 0.00 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1qvx h TYR 951 Cb 0.70 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1qvx h TYR 951 CO 0.04 0.28 -0.20 -0.24 -0.00 0.00 0.00 178.16 178.04 1qvx h VAL 952 N 0.55 1.43 -0.86 -2.88 3.04 -1.65 -3.14 116.25 112.73 1qvx h VAL 952 Ca 0.21 -1.57 0.24 0.00 -1.01 0.00 0.00 66.70 64.57 1qvx h VAL 952 Cb 0.07 2.27 -0.04 0.00 -2.01 0.00 0.00 31.29 31.58 1qvx h VAL 952 CO -0.12 0.44 0.61 -0.65 -1.01 0.00 0.00 177.57 176.85 1qvx h PRO 953 N -0.25 0.06 -0.29 4.17 0.11 -1.66 0.14 132.00 134.29 1qvx h PRO 953 Ca -0.01 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1qvx h PRO 953 Cb 0.82 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1qvx h PRO 953 CO 0.04 0.04 0.07 0.00 -0.21 0.00 0.00 178.00 177.94 1qvx h MET 954 N 0.06 0.46 0.00 1.05 -0.00 -0.65 -1.07 114.93 114.78 1qvx h MET 954 Ca 0.42 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.70 59.98 1qvx h MET 954 Cb 1.57 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 33.11 1qvx h MET 954 CO -0.03 0.54 -0.11 -0.24 -0.00 0.00 0.00 176.91 177.07 1qvx h VAL 955 N 0.29 0.59 -0.68 -0.10 3.04 -1.17 -1.54 116.25 116.68 1qvx h VAL 955 Ca 0.09 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 65.27 1qvx h VAL 955 Cb 0.29 1.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 1qvx h VAL 955 CO 0.00 0.11 0.33 0.50 -1.01 0.00 0.00 177.57 177.50 1qvx h LYS 956 N 0.00 0.95 -0.35 4.17 3.64 0.48 -1.75 116.57 123.71 1qvx h LYS 956 Ca -0.00 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1qvx h LYS 956 Cb 0.30 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1qvx h LYS 956 CO 0.01 0.73 0.21 0.93 -2.27 0.00 0.00 179.45 179.07 1qvx h GLU 957 N 0.95 0.42 0.00 1.90 4.39 -0.52 -0.58 114.58 121.14 1qvx h GLU 957 Ca 0.24 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 1qvx h GLU 957 Cb 0.08 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1qvx h GLU 957 CO -0.03 0.28 -0.22 -0.39 -1.16 0.00 0.00 179.01 177.48 1qvx h VAL 958 N 0.43 0.98 -0.24 3.13 -1.51 -1.42 -1.40 116.25 116.23 1qvx h VAL 958 Ca 0.14 -0.82 -0.10 0.00 -1.23 0.00 0.00 66.70 64.69 1qvx h VAL 958 Cb -0.01 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1qvx h VAL 958 CO -0.06 0.22 -0.25 1.23 -1.23 0.00 0.00 177.57 177.49 1qvx h GLY 959 N 0.88 0.64 0.99 5.19 0.00 -0.44 -2.31 103.07 108.01 1qvx h GLY 959 Ca -0.00 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.74 1qvx h GLY 959 CO 0.03 0.59 0.50 -2.00 0.00 0.00 0.00 176.54 175.66 1qvx h LEU 960 N 0.29 0.70 0.37 3.11 5.85 -0.95 -2.15 115.31 122.52 1qvx h LEU 960 Ca 0.04 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1qvx h LEU 960 Cb 0.81 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1qvx h LEU 960 CO 0.06 0.45 -0.32 0.00 -0.34 0.00 0.00 178.44 178.29 1qvx h ALA 961 N 1.59 -0.71 -0.45 1.25 0.00 -0.77 0.28 119.26 120.46 1qvx h ALA 961 Ca 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1qvx h ALA 961 Cb 0.27 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1qvx h ALA 961 CO -0.11 -0.93 0.12 1.25 0.00 0.00 0.00 179.25 179.57 1qvx h LEU 962 N -0.70 0.61 -0.09 0.00 5.85 -1.28 0.16 115.31 119.86 1qvx h LEU 962 Ca -0.03 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1qvx h LEU 962 Cb 0.62 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1qvx h LEU 962 CO -0.03 0.61 0.04 0.03 -0.34 0.00 0.00 178.44 178.74 1qvx h ARG 963 N 0.65 0.13 -0.95 1.25 3.08 -0.95 0.28 114.38 117.87 1qvx h ARG 963 Ca 0.15 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.27 1qvx h ARG 963 Cb 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1qvx h ARG 963 CO -0.00 0.22 0.61 1.15 -1.07 0.00 0.00 179.97 180.88 1qvx h THR 964 N 0.00 0.99 0.00 2.04 2.02 -0.19 0.83 112.91 118.60 1qvx h THR 964 Ca 0.03 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1qvx h THR 964 Cb 0.14 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1qvx h THR 964 CO -0.00 0.18 -0.10 0.25 0.37 0.00 0.00 175.52 176.22 1qvx h LEU 965 N 1.00 0.00 -1.60 2.58 5.85 0.15 -1.32 115.31 121.96 1qvx h LEU 965 Ca 0.44 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 1qvx h LEU 965 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1qvx h LEU 965 CO -0.19 0.10 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.72 1qvx h LEU 966 N 0.00 0.00 -0.69 2.25 3.38 0.21 0.22 115.31 120.68 1qvx h LEU 966 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1qvx h LEU 966 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1qvx h LEU 966 CO 0.01 0.21 0.23 0.00 0.09 0.00 0.00 178.44 178.99 1qvx h ALA 967 N 1.79 0.91 -0.57 1.53 0.00 -1.14 -1.67 119.26 120.10 1qvx h ALA 967 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 967 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1qvx h ALA 967 CO 0.03 0.57 0.32 1.15 0.00 0.00 0.00 179.25 181.32 1qvx h THR 968 N 1.01 1.19 -0.58 0.00 2.02 -0.97 -2.19 112.91 113.38 1qvx h THR 968 Ca 0.23 -0.46 0.14 0.00 0.77 0.00 0.00 66.41 67.09 1qvx h THR 968 Cb 0.28 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1qvx h THR 968 CO -0.01 0.20 0.41 0.58 0.37 0.00 0.00 175.52 177.07 1qvx h VAL 969 N 0.78 0.77 0.00 3.16 2.07 -0.20 -0.56 116.25 122.27 1qvx h VAL 969 Ca 0.20 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.57 1qvx h VAL 969 Cb 0.03 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1qvx h VAL 969 CO -0.03 0.03 -0.50 -0.78 0.02 0.00 0.00 177.57 176.31 1qvx h ASP 970 N 0.15 0.00 -0.03 0.57 1.82 -0.67 0.69 116.42 118.95 1qvx h ASP 970 Ca 0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1qvx h ASP 970 Cb 0.90 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 1qvx h ASP 970 CO -0.04 0.50 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.72 1qvx h GLU 971 N 0.00 0.08 0.00 0.28 4.39 -0.97 -3.22 114.58 115.14 1qvx h GLU 971 Ca -0.00 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1qvx h GLU 971 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1qvx h GLU 971 CO 0.06 0.59 -0.19 1.03 -1.16 0.00 0.00 179.01 179.34 1qvx h SER 972 N -0.43 0.00 0.14 1.42 0.87 -1.11 -3.20 113.55 111.24 1qvx h SER 972 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1qvx h SER 972 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1qvx h SER 972 CO 0.01 0.19 -0.07 0.25 -0.53 0.00 0.00 176.83 176.69 1qvx h LEU 973 N 0.00 -0.16 -2.26 2.23 6.46 0.40 0.54 115.31 122.53 1qvx h LEU 973 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1qvx h LEU 973 Cb 0.56 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1qvx h LEU 973 CO 0.03 -0.05 0.01 -0.65 -0.62 0.00 0.00 178.44 177.16 1qvx h PRO 974 N -0.26 0.00 0.00 5.25 0.11 -1.66 0.16 132.00 135.60 1qvx h PRO 974 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1qvx h PRO 974 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1qvx h PRO 974 CO 0.03 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.10 1qvx n VAL 975 N -4.15 0.35 0.19 3.15 0.31 -0.36 -3.19 118.33 114.62 1qvx n VAL 975 Ca -0.03 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.12 1qvx n VAL 975 Cb 0.10 -0.63 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.40 -2.01 7.52 6.46 0.30 0.54 115.31 127.72 1qvx h LEU 976 Ca 0.00 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 1qvx h LEU 976 Cb 0.54 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1qvx h LEU 976 CO 0.00 -0.08 -0.09 1.55 -0.62 0.00 0.00 178.44 179.21 1qvx h PRO 977 N -0.76 0.00 0.74 5.25 0.13 -1.63 -2.40 132.00 133.33 1qvx h PRO 977 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1qvx h PRO 977 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1qvx h PRO 977 CO 0.08 0.09 -0.35 0.00 -0.23 0.00 0.00 178.00 177.58 1qvx h ALA 978 N 1.91 -1.02 0.00 -0.56 0.00 -1.46 -3.48 119.26 114.65 1qvx h ALA 978 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 978 Cb 0.31 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qvx h ALA 978 CO 0.01 -0.95 0.00 0.43 0.00 0.00 0.00 179.25 178.74 1qvx n SER 979 N -5.33 0.00 0.33 0.00 7.64 0.12 -4.89 113.62 111.49 1qvx n SER 979 Ca -0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.94 1qvx n SER 979 Cb 0.39 0.00 0.97 0.00 -1.01 0.00 0.00 64.21 64.56 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 0.00 -0.12 0.44 2.02 -0.17 -3.20 112.91 111.89 1qvx h THR 980 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1qvx h THR 980 Cb 0.00 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1qvx h THR 980 CO 0.00 0.00 0.54 1.12 0.37 0.00 0.00 175.52 177.55 1qvx h HIS 981 N 0.00 0.00 0.09 3.16 2.07 -1.62 0.15 115.15 119.00 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qvx h HIS 981 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1qvx h HIS 981 CO 0.00 0.00 -0.04 0.00 -3.07 0.00 0.00 177.93 174.82 1qvx h ARG 982 N 0.00 -0.12 0.08 5.12 3.08 -1.86 -3.01 114.38 117.67 1qvx h ARG 982 Ca 0.06 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 1qvx h ARG 982 Cb 1.13 0.03 0.02 0.00 0.08 0.00 0.00 29.97 31.23 1qvx h ARG 982 CO -0.00 0.41 -0.83 0.93 -1.07 0.00 0.00 179.97 179.42 1qvx h GLU 983 N -0.82 0.42 -0.57 0.04 3.07 -1.37 -2.98 114.58 112.37 1qvx h GLU 983 Ca -0.01 -0.56 0.05 0.00 -0.50 0.00 0.00 59.36 58.34 1qvx h GLU 983 Cb 0.59 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1qvx h GLU 983 CO 0.02 1.22 0.38 0.97 -1.40 0.00 0.00 179.01 180.20 1qvx h ILE 984 N -0.11 1.03 -0.03 3.13 -0.00 -0.94 0.32 117.51 120.90 1qvx h ILE 984 Ca -0.13 -0.20 -0.17 0.00 -0.00 0.00 0.00 64.86 64.37 1qvx h ILE 984 Cb 1.57 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 38.76 1qvx h ILE 984 CO 0.16 0.11 -0.72 -0.33 -0.00 0.00 0.00 178.15 177.37 1qvx h GLU 985 N 0.59 0.19 0.25 2.19 5.08 -1.62 -2.32 114.58 118.94 1qvx h GLU 985 Ca 0.24 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1qvx h GLU 985 Cb 0.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1qvx h GLU 985 CO -0.07 0.83 -0.12 0.00 -1.00 0.00 0.00 179.01 178.66 1qvx h MET 986 N 0.13 -0.32 0.10 2.33 -0.00 -0.25 -3.11 114.93 113.81 1qvx h MET 986 Ca -0.02 0.02 -0.26 0.00 -0.00 0.00 0.00 59.70 59.44 1qvx h MET 986 Cb 1.28 0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 32.95 1qvx h MET 986 CO 0.11 0.04 -1.20 0.00 -0.00 0.00 0.00 176.91 175.86 1qvx h ALA 987 N -0.23 0.15 -0.38 -3.00 0.00 -1.42 -2.91 119.26 111.46 1qvx h ALA 987 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 53.99 1qvx h ALA 987 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1qvx h ALA 987 CO 0.06 1.03 0.23 0.37 0.00 0.00 0.00 179.25 180.94 1qvx h GLN 988 N 0.06 0.46 0.00 0.00 5.75 -1.53 1.11 115.11 120.95 1qvx h GLN 988 Ca -0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1qvx h GLN 988 Cb 1.93 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.37 1qvx h GLN 988 CO 0.19 0.30 -0.22 0.87 -2.65 0.00 0.00 178.83 177.32 1qvx h LYS 989 N 0.47 0.00 -0.13 1.69 1.79 -1.63 -1.55 116.57 117.21 1qvx h LYS 989 Ca 0.15 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.45 1qvx h LYS 989 Cb -0.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1qvx h LYS 989 CO -0.06 0.22 -0.58 1.25 -1.08 0.00 0.00 179.45 179.20 1qvx h LEU 990 N 0.00 0.74 -0.15 2.94 5.85 -0.87 -2.99 115.31 120.83 1qvx h LEU 990 Ca -0.00 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.10 1qvx h LEU 990 Cb 0.56 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1qvx h LEU 990 CO 0.03 1.25 0.04 -0.07 -0.34 0.00 0.00 178.44 179.34 1qvx h LEU 991 N 0.28 0.03 -0.92 2.25 3.38 0.17 -1.89 115.31 118.61 1qvx h LEU 991 Ca -0.04 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1qvx h LEU 991 Cb 1.22 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1qvx h LEU 991 CO 0.12 0.04 0.57 -1.13 0.09 0.00 0.00 178.44 178.13 1qvx h ASN 992 N 0.11 0.85 -0.28 -0.43 -1.24 -1.36 0.30 115.58 113.53 1qvx h ASN 992 Ca 0.07 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 1qvx h ASN 992 Cb 0.05 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1qvx h ASN 992 CO -0.08 0.50 -0.24 -1.28 -1.29 0.00 0.00 177.43 175.03 1qvx h SER 993 N 0.96 0.70 0.05 1.15 0.87 -1.28 -2.97 113.55 113.03 1qvx h SER 993 Ca 0.43 -0.46 -0.38 0.00 -1.23 0.00 0.00 61.79 60.16 1qvx h SER 993 Cb 0.33 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1qvx h SER 993 CO -0.23 1.02 -2.24 0.47 -0.53 0.00 0.00 176.83 175.32 1qvx n ASP 994 N -4.31 2.03 0.18 6.23 8.00 -0.75 -2.60 116.55 125.32 1qvx n ASP 994 Ca -0.04 0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 1qvx n ASP 994 Cb 0.44 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N -0.07 -0.39 -0.14 0.64 7.12 -0.60 -1.74 115.31 120.13 1qvx h LEU 995 Ca -0.51 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.52 1qvx h LEU 995 Cb 1.91 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 42.15 1qvx h LEU 995 CO -0.04 -0.26 0.09 0.00 -0.13 0.00 0.00 178.44 178.09 1qvx h ALA 996 N 0.30 0.18 -0.15 1.25 0.00 -1.61 -2.45 119.26 116.78 1qvx h ALA 996 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1qvx h ALA 996 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qvx h ALA 996 CO 0.04 -0.32 -0.13 1.05 0.00 0.00 0.00 179.25 179.88 1qvx h GLU 997 N 0.16 0.23 -0.60 0.00 4.11 -1.48 -2.15 114.58 114.86 1qvx h GLU 997 Ca 0.05 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1qvx h GLU 997 Cb 0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1qvx h GLU 997 CO -0.01 0.38 0.12 1.25 0.07 0.00 0.00 179.01 180.81 1qvx h LEU 998 N 0.22 0.90 -1.09 3.06 5.85 -0.87 1.07 115.31 124.47 1qvx h LEU 998 Ca 0.05 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1qvx h LEU 998 Cb 0.38 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 1qvx h LEU 998 CO 0.02 0.90 0.62 0.40 -0.34 0.00 0.00 178.44 180.03 1qvx h ILE 999 N 0.91 0.97 -0.01 4.05 2.04 -0.95 0.44 117.51 124.95 1qvx h ILE 999 Ca 0.19 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1qvx h ILE 999 Cb 0.37 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1qvx h ILE 999 CO 0.01 0.18 -0.41 0.59 0.00 0.00 0.00 178.15 178.52 1qvx n ASN 1000N -4.56 1.51 0.02 1.72 3.02 -0.70 -1.90 115.26 114.37 1qvx n ASN 1000Ca 0.17 -1.19 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 1qvx n ASN 1000Cb 0.31 0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 39.69 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qvx h LYS 1001N 1.72 0.26 0.02 3.52 1.63 0.31 0.26 116.57 124.28 1qvx h LYS 1001Ca 0.00 -0.44 -0.21 0.00 -0.85 0.00 0.00 60.65 59.15 1qvx h LYS 1001Cb 0.63 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 1qvx h LYS 1001CO 0.00 1.21 -0.97 1.98 -3.45 0.00 0.00 179.45 178.22 1qvx h MET 1002N -0.37 0.07 -0.16 1.90 4.05 -1.14 0.20 114.93 119.48 1qvx h MET 1002Ca -0.23 -0.10 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1qvx h MET 1002Cb 1.68 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.50 1qvx h MET 1002CO 0.09 0.98 0.03 -0.22 0.23 0.00 0.00 176.91 178.02 1qvx h LYS 1003N 0.03 0.10 -0.67 0.39 3.64 -1.44 0.81 116.57 119.43 1qvx h LYS 1003Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1qvx h LYS 1003Cb 1.68 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.45 1qvx h LYS 1003CO 0.14 0.06 0.37 -0.07 -2.27 0.00 0.00 179.45 177.67 1qvx h LEU 1004N 0.10 0.83 -0.27 5.20 3.38 -0.39 0.37 115.31 124.53 1qvx h LEU 1004Ca 0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1qvx h LEU 1004Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1qvx h LEU 1004CO -0.09 0.67 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 1qvx h ALA 1005N 1.46 0.38 0.00 1.53 0.00 0.13 0.78 119.26 123.54 1qvx h ALA 1005Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1005Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qvx h ALA 1005CO -0.04 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1qvx n GLN 1006N -4.50 0.02 0.00 0.00 -0.00 0.28 -0.79 117.38 112.39 1qvx n GLN 1006Ca -0.03 0.14 0.12 0.00 -0.00 0.00 0.00 57.00 57.22 1qvx n GLN 1006Cb 0.32 -1.50 0.18 0.00 -0.00 0.00 0.00 30.24 29.24 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1qvx n GLN 1007N -1.49 0.03 -0.03 2.61 -0.06 0.13 -3.90 117.38 114.67 1qvx n GLN 1007Ca 0.05 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.07 1qvx n GLN 1007Cb 0.24 -1.51 0.02 0.00 -4.06 0.00 0.00 30.24 24.93 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -1.56 0.00 -1.55 3.69 9.36 0.17 -5.00 117.16 122.27 1qvx n TYR 1008Ca 0.05 -0.49 -0.26 0.00 3.32 0.00 0.00 57.90 60.52 1qvx n TYR 1008Cb 0.35 -0.06 -0.06 0.00 -0.63 0.00 0.00 39.34 38.94 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N -0.57 -0.05 -0.08 2.97 3.14 0.03 -3.95 118.33 119.82 1qvx n VAL 1009Ca 0.03 -0.64 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1qvx n VAL 1009Cb 0.38 -2.31 0.00 0.00 -1.06 0.00 0.00 33.84 30.84 1qvx n VAL 1009CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1qvx n MET 1010N 8.81 0.47 -1.13 1.45 2.81 -1.26 -4.95 117.12 123.32 1qvx n MET 1010Ca 0.43 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 1qvx n MET 1010Cb 0.47 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1qvx n THR 1011N -0.17 -3.90 0.00 2.03 -1.04 -1.26 -4.62 114.28 105.32 1qvx n THR 1011Ca 0.00 1.61 0.00 0.00 -2.04 0.00 0.00 64.05 63.62 1qvx n THR 1011Cb 0.11 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.17 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qvx n SER 1012N -0.01 0.00 0.22 8.00 2.88 -1.26 -4.01 113.62 119.44 1qvx n SER 1012Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1qvx n SER 1012Cb 0.00 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 63.97 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qvx h LEU 1013N 0.00 0.00 -1.09 2.46 3.38 -1.90 -2.23 115.31 115.93 1qvx h LEU 1013Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qvx h LEU 1013Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1qvx h LEU 1013CO 0.00 0.23 0.50 -0.61 0.09 0.00 0.00 178.44 178.66 1qvx h GLN 1014N 0.00 1.13 -0.04 1.13 -0.00 -1.70 -2.65 115.11 112.98 1qvx h GLN 1014Ca -0.00 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.65 58.47 1qvx h GLN 1014Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 1qvx h GLN 1014CO 0.03 0.79 -0.35 1.96 0.00 0.00 0.00 178.83 181.25 1qvx h GLN 1015N 1.15 0.07 -0.61 1.69 4.20 -1.73 0.15 115.11 120.02 1qvx h GLN 1015Ca 0.30 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.10 1qvx h GLN 1015Cb -0.05 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.63 1qvx h GLN 1015CO -0.06 0.42 0.07 1.49 -0.67 0.00 0.00 178.83 180.08 1qvx h GLU 1016N 0.06 0.18 0.00 1.46 4.81 -1.49 0.51 114.58 120.12 1qvx h GLU 1016Ca 0.01 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1qvx h GLU 1016Cb 0.66 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1qvx h GLU 1016CO 0.05 0.12 -0.41 1.88 -0.73 0.00 0.00 179.01 179.92 1qvx h TYR 1017N 0.19 0.00 -0.16 0.92 -1.99 -1.24 -2.78 116.97 111.91 1qvx h TYR 1017Ca 0.32 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.86 1qvx h TYR 1017Cb 0.51 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.23 1qvx h TYR 1017CO -0.30 0.41 -0.66 -0.22 -0.00 0.00 0.00 178.16 177.39 1qvx h LYS 1018N 0.00 0.61 0.05 4.88 3.64 0.37 0.03 116.57 126.16 1qvx h LYS 1018Ca -0.00 -0.44 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1qvx h LYS 1018Cb 1.19 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1qvx h LYS 1018CO 0.05 1.06 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.05 1qvx h LYS 1019N 0.44 -0.07 -0.97 1.90 3.64 -0.03 -0.89 116.57 120.59 1qvx h LYS 1019Ca -0.02 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.63 1qvx h LYS 1019Cb 1.24 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.94 1qvx h LYS 1019CO 0.13 0.26 0.51 1.96 -2.27 0.00 0.00 179.45 180.04 1qvx h GLN 1020N -0.41 0.41 -0.63 1.90 4.20 -1.48 0.91 115.11 120.01 1qvx h GLN 1020Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1qvx h GLN 1020Cb 0.37 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1qvx h GLN 1020CO 0.01 0.27 0.35 1.98 -0.67 0.00 0.00 178.83 180.78 1qvx h MET 1021N 0.42 0.87 -0.83 1.46 4.05 -0.48 -2.16 114.93 118.26 1qvx h MET 1021Ca 0.65 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 60.02 1qvx h MET 1021Cb 1.33 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 31.90 1qvx h MET 1021CO -0.55 0.65 0.52 -0.07 0.23 0.00 0.00 176.91 177.69 1qvx h LEU 1022N 0.85 0.83 -1.11 3.39 3.38 0.56 0.68 115.31 123.89 1qvx h LEU 1022Ca 0.22 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1qvx h LEU 1022Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1qvx h LEU 1022CO -0.04 0.54 0.14 0.74 0.09 0.00 0.00 178.44 179.91 1qvx h THR 1023N 0.96 1.21 0.09 0.22 2.02 -0.95 0.77 112.91 117.24 1qvx h THR 1023Ca 0.35 -0.75 -0.27 0.00 0.77 0.00 0.00 66.41 66.52 1qvx h THR 1023Cb 0.12 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1qvx h THR 1023CO -0.16 0.28 -1.15 0.00 0.37 0.00 0.00 175.52 174.86 1qvx h ALA 1024N 1.41 0.16 -0.13 6.16 0.00 -0.63 -2.23 119.26 124.00 1qvx h ALA 1024Ca 0.17 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1qvx h ALA 1024Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qvx h ALA 1024CO -0.00 0.86 -0.18 0.00 0.00 0.00 0.00 179.25 179.92 1qvx h ALA 1025N 0.57 1.45 -0.09 0.00 0.00 0.70 0.37 119.26 122.27 1qvx h ALA 1025Ca -0.13 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1qvx h ALA 1025Cb 1.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1qvx h ALA 1025CO 0.20 0.39 -0.23 1.25 0.00 0.00 0.00 179.25 180.85 1qvx h HIS 1026N 0.20 0.40 -0.69 0.00 6.17 -0.78 0.16 115.15 120.60 1qvx h HIS 1026Ca 0.04 -0.16 -0.02 0.00 0.71 0.00 0.00 60.37 60.94 1qvx h HIS 1026Cb 0.45 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.28 1qvx h HIS 1026CO 0.01 0.84 0.34 0.00 0.71 0.00 0.00 177.93 179.83 1qvx h ALA 1027N 0.48 1.30 0.11 5.26 0.00 -1.08 0.11 119.26 125.44 1qvx h ALA 1027Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qvx h ALA 1027Cb 0.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1qvx h ALA 1027CO 0.05 0.55 -0.10 1.25 0.00 0.00 0.00 179.25 181.00 1qvx h LEU 1028N 0.98 -0.27 -1.52 0.00 6.46 -0.24 0.47 115.31 121.19 1qvx h LEU 1028Ca 0.24 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 58.14 1qvx h LEU 1028Cb 0.09 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1qvx h LEU 1028CO -0.03 -0.16 0.47 0.00 -0.62 0.00 0.00 178.44 178.10 1qvx h ALA 1029N 0.65 1.96 -0.23 1.25 0.00 -0.23 0.16 119.26 122.82 1qvx h ALA 1029Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1qvx h ALA 1029Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qvx h ALA 1029CO -0.03 -0.12 -0.21 0.28 0.00 0.00 0.00 179.25 179.17 1qvx h VAL 1030N 0.52 1.24 -0.21 0.00 2.07 0.07 0.30 116.25 120.25 1qvx h VAL 1030Ca 0.33 -1.13 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 1qvx h VAL 1030Cb 0.60 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1qvx h VAL 1030CO -0.11 0.36 -0.50 -2.24 0.02 0.00 0.00 177.57 175.10 1qvx h ASP 1031N 0.37 0.79 -0.18 0.57 3.04 0.14 0.24 116.42 121.40 1qvx h ASP 1031Ca 0.06 -0.57 0.04 0.00 -3.24 0.00 0.00 57.03 53.33 1qvx h ASP 1031Cb 0.57 -0.23 -0.04 0.00 -1.04 0.00 0.00 39.33 38.60 1qvx h ASP 1031CO 0.04 1.22 -0.07 0.00 -2.04 0.00 0.00 179.24 178.39 1qvx h ALA 1032N 0.60 0.09 -0.43 4.15 0.00 -1.08 -2.30 119.26 120.30 1qvx h ALA 1032Ca -0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 1032Cb 1.11 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1qvx h ALA 1032CO 0.11 -0.50 -0.11 -0.22 0.00 0.00 0.00 179.25 178.52 1qvx h LYS 1033N -0.04 0.77 -0.01 0.00 1.63 -0.68 -0.60 116.57 117.64 1qvx h LYS 1033Ca 0.09 -0.26 -0.22 0.00 -0.85 0.00 0.00 60.65 59.42 1qvx h LYS 1033Cb 0.18 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1qvx h LYS 1033CO -0.21 0.86 -0.91 -0.97 -3.45 0.00 0.00 179.45 174.77 1qvx h ASN 1034N 0.70 0.47 0.88 4.20 -1.24 -0.39 -2.80 115.58 117.41 1qvx h ASN 1034Ca 0.12 -0.37 -0.19 0.00 0.71 0.00 0.00 56.30 56.57 1qvx h ASN 1034Cb 0.59 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1qvx h ASN 1034CO 0.04 1.17 -0.89 0.25 -1.29 0.00 0.00 177.43 176.71 1qvx h LEU 1035N 0.21 0.00 -0.93 0.34 5.85 -1.34 0.18 115.31 119.62 1qvx h LEU 1035Ca -0.07 -0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.87 1qvx h LEU 1035Cb 1.54 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.45 1qvx h LEU 1035CO 0.15 0.89 0.47 0.25 -0.34 0.00 0.00 178.44 179.86 1qvx h LEU 1036N 0.00 0.49 -0.00 2.25 6.46 -0.96 0.77 115.31 124.31 1qvx h LEU 1036Ca -0.01 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1qvx h LEU 1036Cb 1.57 0.08 0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1qvx h LEU 1036CO 0.12 0.07 -0.34 0.44 -0.62 0.00 0.00 178.44 178.11 1qvx h ASP 1037N 0.50 0.30 -0.23 1.25 3.32 -1.24 -2.67 116.42 117.65 1qvx h ASP 1037Ca 0.58 -0.77 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1qvx h ASP 1037Cb 1.06 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.45 1qvx h ASP 1037CO -0.49 1.03 -0.51 0.58 -1.72 0.00 0.00 179.24 178.14 1qvx h VAL 1038N -0.39 0.04 0.01 -1.35 2.07 0.14 0.43 116.25 117.19 1qvx h VAL 1038Ca -0.04 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1qvx h VAL 1038Cb 1.08 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1qvx h VAL 1038CO 0.07 0.00 -1.26 0.16 0.02 0.00 0.00 177.57 176.56 1qvx h ILE 1039N -0.49 1.41 -0.80 4.57 -0.00 0.24 1.14 117.51 123.58 1qvx h ILE 1039Ca 0.07 -3.16 0.06 0.00 -0.00 0.00 0.00 64.86 61.83 1qvx h ILE 1039Cb 0.64 2.71 -0.06 0.00 -0.00 0.00 0.00 36.82 40.11 1qvx h ILE 1039CO -0.49 0.81 0.48 -0.78 -0.00 0.00 0.00 178.15 178.18 1qvx h ASP 1040N 0.01 0.74 1.24 2.16 3.58 -1.39 -0.47 116.42 122.28 1qvx h ASP 1040Ca -0.11 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 1qvx h ASP 1040Cb 1.87 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.78 1qvx h ASP 1040CO 0.12 0.47 -0.27 1.56 -2.88 0.00 0.00 179.24 178.24 1qvx h GLN 1041N 0.87 0.00 0.11 0.28 4.20 0.13 -2.67 115.11 118.03 1qvx h GLN 1041Ca 0.35 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.08 1qvx h GLN 1041Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1qvx h GLN 1041CO -0.18 0.27 -0.31 0.00 -0.67 0.00 0.00 178.83 177.94 1qvx h ALA 1042N 1.73 -0.52 -0.10 3.87 0.00 0.29 1.96 119.26 126.48 1qvx h ALA 1042Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qvx h ALA 1042Cb 0.97 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1qvx h ALA 1042CO 0.04 -0.85 0.09 -0.09 0.00 0.00 0.00 179.25 178.43 1qvx h ARG 1043N -0.53 0.00 -0.01 0.00 9.65 -1.26 0.11 114.38 122.34 1qvx h ARG 1043Ca 0.03 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.72 1qvx h ARG 1043Cb 0.56 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1qvx h ARG 1043CO -0.19 0.00 -0.83 1.25 2.80 0.00 0.00 179.97 183.00 1qvx h LEU 1044N 0.00 0.27 -1.83 3.80 6.46 -0.71 -2.47 115.31 120.82 1qvx h LEU 1044Ca 0.05 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1qvx h LEU 1044Cb 0.23 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1qvx h LEU 1044CO -0.00 0.98 -0.05 0.11 -0.62 0.00 0.00 178.44 178.86 1qvx h LYS 1045N 0.12 0.04 0.00 1.25 1.79 0.56 0.72 116.57 121.05 1qvx h LYS 1045Ca -0.04 -0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.24 1qvx h LYS 1045Cb 1.44 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 1qvx h LYS 1045CO 0.13 0.09 -0.87 1.98 -1.08 0.00 0.00 179.45 179.70 1qvx h MET 1046N 0.04 0.02 -0.23 3.15 4.05 -1.08 0.88 114.93 121.75 1qvx h MET 1046Ca 0.01 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1qvx h MET 1046Cb 0.12 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1qvx h MET 1046CO 0.01 0.87 0.03 0.82 0.23 0.00 0.00 176.91 178.87 1qvx h ILE 1047N 0.01 1.23 -0.87 1.77 1.08 -0.47 0.38 117.51 120.65 1qvx h ILE 1047Ca -0.01 -0.78 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1qvx h ILE 1047Cb 1.53 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 36.52 1qvx h ILE 1047CO 0.12 0.25 0.56 0.28 -0.69 0.00 0.00 178.15 178.66 1qvx h SER 1048N 0.18 0.74 0.00 1.72 0.02 0.66 -1.49 113.55 115.39 1qvx h SER 1048Ca 0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1qvx h SER 1048Cb 0.34 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1qvx h SER 1048CO 0.01 0.42 0.00 1.67 -1.14 0.00 0.00 176.83 177.79 1qvx n GLN 1049N -4.53 0.00 0.00 3.45 7.27 0.27 -4.80 117.38 119.04 1qvx n GLN 1049Ca 0.15 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1qvx n GLN 1049Cb 0.34 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.55 1qvx n GLN 1049CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1qvx n SER 1050N -1.83 0.00 -1.95 1.69 7.64 -0.97 -5.09 113.62 113.11 1qvx n SER 1050Ca 0.00 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1qvx n SER 1050Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qvx n SER 1050CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1qvx n ARG 1051N 0.00 -5.36 -2.21 1.43 1.85 0.09 -4.95 116.66 107.51 1qvx n ARG 1051Ca 0.00 3.83 -0.36 0.00 -1.00 0.00 0.00 57.85 60.32 1qvx n ARG 1051Cb 0.19 -4.15 0.00 0.00 -1.05 0.00 0.00 32.46 27.45 1qvx n ARG 1051CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1qvx s PRO 1052N -1.34 3.48 0.00 2.89 0.02 -1.26 -4.95 135.00 133.83 1qvx s PRO 1052Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1qvx s PRO 1052Cb 0.00 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1qvx s PRO 1052CO 0.00 -0.77 0.46 0.72 -0.33 0.00 0.00 177.00 177.08