#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 4.38 -3.61 6.15 2.88 -1.26 -4.88 113.62 117.27 1qvx n SER 921 Ca 0.00 -3.17 -0.27 0.00 -1.33 0.00 0.00 58.87 54.11 1qvx n SER 921 Cb 0.00 -0.74 0.03 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.29 -5.60 -3.10 -3.46 4.13 -1.26 -4.95 115.26 100.73 1qvx n ASN 922 Ca 0.41 -0.90 -0.01 0.00 1.68 0.00 0.00 54.58 55.76 1qvx n ASN 922 Cb 1.35 -3.43 0.01 0.00 -1.54 0.00 0.00 39.78 36.17 1qvx n ASN 922 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qvx n ASP 923 N -2.57 -0.79 0.23 6.41 9.92 -1.26 -3.41 116.55 125.07 1qvx n ASP 923 Ca -0.11 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1qvx n ASP 923 Cb 0.59 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1qvx n LYS 924 N -0.24 0.02 0.12 -1.24 0.00 -1.26 -0.35 118.16 115.21 1qvx n LYS 924 Ca 0.01 0.66 -0.13 0.00 0.00 0.00 0.00 58.31 58.84 1qvx n LYS 924 Cb 0.02 -2.21 -0.08 0.00 0.00 0.00 0.00 35.03 32.76 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 0.85 0.00 3.15 -1.51 -1.88 0.31 116.25 117.17 1qvx h VAL 925 Ca 0.00 -0.49 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1qvx h VAL 925 Cb 1.60 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 1qvx h VAL 925 CO 0.00 0.11 -0.18 0.22 -1.23 0.00 0.00 177.57 176.49 1qvx h TYR 926 N -0.56 0.00 0.23 5.19 3.20 -0.71 -2.72 116.97 121.60 1qvx h TYR 926 Ca -0.03 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1qvx h TYR 926 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1qvx h TYR 926 CO 0.01 0.18 -0.11 0.93 -1.64 0.00 0.00 178.16 177.53 1qvx h GLU 927 N 0.00 -0.30 -0.11 1.82 5.08 -1.49 -3.06 114.58 116.51 1qvx h GLU 927 Ca -0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1qvx h GLU 927 Cb 0.94 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1qvx h GLU 927 CO 0.02 -0.20 -0.24 -0.97 -1.00 0.00 0.00 179.01 176.62 1qvx h ASN 928 N -0.92 0.19 -0.44 1.42 -0.00 -0.98 0.20 115.58 115.05 1qvx h ASN 928 Ca -0.03 -0.05 -0.05 0.00 -0.00 0.00 0.00 56.30 56.16 1qvx h ASN 928 Cb 0.24 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 1qvx h ASN 928 CO 0.05 0.44 0.07 1.62 -0.00 0.00 0.00 177.43 179.61 1qvx h VAL 929 N 0.18 1.25 0.00 2.57 3.04 -1.63 -0.56 116.25 121.10 1qvx h VAL 929 Ca 0.03 -0.91 -0.06 0.00 -1.01 0.00 0.00 66.70 64.75 1qvx h VAL 929 Cb 0.53 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1qvx h VAL 929 CO 0.04 0.32 -0.29 0.71 -1.01 0.00 0.00 177.57 177.33 1qvx h THR 930 N 0.60 0.73 -0.10 3.17 1.35 -1.33 -1.29 112.91 116.04 1qvx h THR 930 Ca 0.13 -1.26 0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1qvx h THR 930 Cb 0.39 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1qvx h THR 930 CO 0.01 0.28 0.08 1.23 -0.25 0.00 0.00 175.52 176.88 1qvx h GLY 931 N 1.95 0.00 0.85 5.82 0.00 0.55 0.27 103.07 112.51 1qvx h GLY 931 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qvx h GLY 931 CO 0.04 0.00 0.02 -2.00 0.00 0.00 0.00 176.54 174.60 1qvx h LEU 932 N 0.00 0.38 -0.85 3.11 6.46 0.08 0.47 115.31 124.97 1qvx h LEU 932 Ca 0.05 -0.28 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1qvx h LEU 932 Cb 0.21 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1qvx h LEU 932 CO -0.00 0.57 0.55 0.58 -0.62 0.00 0.00 178.44 179.51 1qvx h VAL 933 N 0.19 1.14 0.00 1.05 2.07 -1.00 0.19 116.25 119.89 1qvx h VAL 933 Ca 0.07 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1qvx h VAL 933 Cb 0.35 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1qvx h VAL 933 CO 0.01 0.19 -0.21 0.11 0.02 0.00 0.00 177.57 177.69 1qvx h LYS 934 N 1.06 0.00 0.00 1.57 6.56 -0.33 -0.79 116.57 124.63 1qvx h LYS 934 Ca 0.34 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.79 1qvx h LYS 934 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1qvx h LYS 934 CO -0.11 0.21 -0.72 0.00 -2.06 0.00 0.00 179.45 176.77 1qvx h ALA 935 N 1.79 0.61 0.00 3.86 0.00 0.52 -2.79 119.26 123.25 1qvx h ALA 935 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1qvx h ALA 935 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qvx h ALA 935 CO 0.03 0.80 -0.18 1.55 0.00 0.00 0.00 179.25 181.44 1qvx n VAL 936 N -3.21 0.27 0.01 0.00 3.14 -0.09 -1.96 118.33 116.49 1qvx n VAL 936 Ca 0.00 -0.15 -0.03 0.00 -2.96 0.00 0.00 64.34 61.20 1qvx n VAL 936 Cb 0.79 -0.35 0.21 0.00 -1.06 0.00 0.00 33.84 33.43 1qvx n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1qvx h ILE 937 N 0.00 1.26 -0.22 1.55 1.08 -0.91 -1.70 117.51 118.57 1qvx h ILE 937 Ca 0.00 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 1qvx h ILE 937 Cb 0.62 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1qvx h ILE 937 CO 0.00 0.39 0.11 -0.33 -0.69 0.00 0.00 178.15 177.63 1qvx h GLU 938 N 0.44 0.31 -0.99 2.37 5.08 -1.15 -1.80 114.58 118.83 1qvx h GLU 938 Ca 0.07 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1qvx h GLU 938 Cb 0.63 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1qvx h GLU 938 CO 0.05 0.31 0.63 1.98 -1.00 0.00 0.00 179.01 180.98 1qvx h MET 939 N 0.22 1.01 -0.73 2.33 4.05 -1.26 0.65 114.93 121.21 1qvx h MET 939 Ca 0.07 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1qvx h MET 939 Cb 0.11 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1qvx h MET 939 CO -0.01 0.67 0.36 1.03 0.23 0.00 0.00 176.91 179.19 1qvx h SER 940 N 1.04 0.93 0.14 1.39 0.87 -0.87 0.28 113.55 117.33 1qvx h SER 940 Ca 0.47 -0.09 -0.30 0.00 -1.23 0.00 0.00 61.79 60.64 1qvx h SER 940 Cb 0.39 -0.24 0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1qvx h SER 940 CO -0.23 0.78 -1.24 0.28 -0.53 0.00 0.00 176.83 175.88 1qvx h SER 941 N 1.03 0.85 -0.05 6.23 0.02 -0.27 -2.97 113.55 118.39 1qvx h SER 941 Ca 0.25 -0.84 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 1qvx h SER 941 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1qvx h SER 941 CO -0.03 1.61 -0.29 0.50 -1.14 0.00 0.00 176.83 177.48 1qvx h LYS 942 N 0.21 0.51 0.00 3.45 3.11 0.47 -2.50 116.57 121.81 1qvx h LYS 942 Ca -0.20 -0.21 -0.12 0.00 -2.81 0.00 0.00 60.65 57.32 1qvx h LYS 942 Cb 1.93 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.12 1qvx h LYS 942 CO 0.24 0.74 -0.56 0.97 -2.81 0.00 0.00 179.45 178.03 1qvx h ILE 943 N 0.44 1.24 -0.31 2.00 -0.00 -0.48 -2.87 117.51 117.54 1qvx h ILE 943 Ca 0.06 -2.04 0.07 0.00 -0.00 0.00 0.00 64.86 62.95 1qvx h ILE 943 Cb 0.73 2.15 -0.08 0.00 -0.00 0.00 0.00 36.82 39.61 1qvx h ILE 943 CO 0.06 0.55 -0.30 1.56 -0.00 0.00 0.00 178.15 180.01 1qvx h GLN 944 N 0.00 -0.27 -0.65 2.19 4.20 -1.27 -1.01 115.11 118.30 1qvx h GLN 944 Ca -0.01 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1qvx h GLN 944 Cb 1.10 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 1qvx h GLN 944 CO 0.07 -0.18 0.09 -0.35 -0.67 0.00 0.00 178.83 177.79 1qvx n PRO 945 N -5.41 4.50 -3.47 1.46 -0.04 -1.24 -5.00 135.00 125.81 1qvx n PRO 945 Ca -0.00 -3.10 -0.37 0.00 -0.04 0.00 0.00 63.50 59.99 1qvx n PRO 945 Cb 0.32 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.47 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 -2.82 3.56 0.88 0.55 0.00 -0.38 -5.01 121.76 118.54 1qvx s ALA 946 Ca 0.54 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 1qvx s ALA 946 Cb 0.42 -2.46 0.18 0.00 0.00 0.00 0.00 23.12 21.26 1qvx s ALA 946 CO 0.15 0.07 1.13 -0.35 0.00 0.00 0.00 175.76 176.76 1qvx n PRO 947 N 3.60 -0.75 -0.24 0.00 -0.04 -1.26 -4.86 135.00 131.44 1qvx n PRO 947 Ca -0.11 -2.23 0.23 0.00 -0.04 0.00 0.00 63.50 61.35 1qvx n PRO 947 Cb 0.52 -1.02 0.58 0.00 -0.04 0.00 0.00 33.50 33.54 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1qvx h PRO 948 N 0.00 0.27 -0.84 0.54 0.11 -1.98 0.54 132.00 130.64 1qvx h PRO 948 Ca -0.37 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.82 1qvx h PRO 948 Cb 1.15 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 1qvx h PRO 948 CO 0.31 0.18 0.48 0.93 -0.21 0.00 0.00 178.00 179.69 1qvx h GLU 949 N 0.28 0.78 -0.01 1.05 3.07 -1.97 -1.64 114.58 116.14 1qvx h GLU 949 Ca 0.48 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1qvx h GLU 949 Cb 1.41 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1qvx h GLU 949 CO -0.15 0.51 -0.43 0.39 -1.40 0.00 0.00 179.01 177.94 1qvx n GLU 950 N -4.74 0.83 -0.21 2.33 -0.58 0.02 -3.80 120.64 114.49 1qvx n GLU 950 Ca 0.14 -0.60 0.01 0.00 -0.42 0.00 0.00 57.16 56.29 1qvx n GLU 950 Cb 0.29 -1.49 0.26 0.00 -0.57 0.00 0.00 31.44 29.92 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1qvx h TYR 951 N 1.47 0.93 0.12 -0.32 0.05 -0.09 0.15 116.97 119.27 1qvx h TYR 951 Ca 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1qvx h TYR 951 Cb 0.60 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1qvx h TYR 951 CO 0.00 0.58 -0.06 -0.24 -1.05 0.00 0.00 178.16 177.39 1qvx h VAL 952 N 0.99 1.00 -0.44 -2.88 3.04 -1.64 -3.08 116.25 113.24 1qvx h VAL 952 Ca 0.28 -1.25 0.09 0.00 -1.01 0.00 0.00 66.70 64.81 1qvx h VAL 952 Cb -0.09 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 1qvx h VAL 952 CO -0.06 0.26 0.31 -0.65 -1.01 0.00 0.00 177.57 176.42 1qvx h PRO 953 N -0.82 0.17 -0.32 4.17 0.11 -1.67 -0.47 132.00 133.17 1qvx h PRO 953 Ca -0.02 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1qvx h PRO 953 Cb 0.56 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1qvx h PRO 953 CO 0.03 0.12 -0.30 0.00 -0.21 0.00 0.00 178.00 177.63 1qvx h MET 954 N 0.18 0.67 0.00 1.05 -0.00 -0.78 -1.32 114.93 114.72 1qvx h MET 954 Ca 0.20 -0.30 -0.07 0.00 -0.00 0.00 0.00 59.70 59.54 1qvx h MET 954 Cb 0.58 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.15 1qvx h MET 954 CO -0.03 0.89 -0.32 0.28 -0.00 0.00 0.00 176.91 177.73 1qvx h VAL 955 N 0.57 0.77 -0.98 -0.10 2.07 -1.24 -2.46 116.25 114.90 1qvx h VAL 955 Ca 0.07 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1qvx h VAL 955 Cb 0.80 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 1qvx h VAL 955 CO 0.07 0.31 0.63 0.50 0.02 0.00 0.00 177.57 179.10 1qvx h LYS 956 N 0.00 1.03 -0.36 1.57 3.64 0.05 0.75 116.57 123.25 1qvx h LYS 956 Ca -0.00 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1qvx h LYS 956 Cb 0.84 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1qvx h LYS 956 CO 0.04 0.68 0.07 0.93 -2.27 0.00 0.00 179.45 178.91 1qvx h GLU 957 N 1.06 0.19 0.00 1.90 4.39 -1.09 -0.21 114.58 120.82 1qvx h GLU 957 Ca 0.45 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.09 1qvx h GLU 957 Cb 0.31 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1qvx h GLU 957 CO -0.20 0.13 -0.23 -0.39 -1.16 0.00 0.00 179.01 177.15 1qvx h VAL 958 N 0.20 0.45 -0.27 3.13 -1.51 -1.24 -2.77 116.25 114.23 1qvx h VAL 958 Ca 0.17 -1.39 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 1qvx h VAL 958 Cb 0.19 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1qvx h VAL 958 CO -0.22 0.23 -0.37 1.23 -1.23 0.00 0.00 177.57 177.21 1qvx h GLY 959 N 3.07 0.79 2.00 5.19 0.00 0.12 -2.61 103.07 111.63 1qvx h GLY 959 Ca -0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.42 1qvx h GLY 959 CO 0.03 0.78 -0.23 1.41 0.00 0.00 0.00 176.54 178.52 1qvx h LEU 960 N 0.45 0.00 0.40 3.11 3.38 -1.10 -2.65 115.31 118.91 1qvx h LEU 960 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qvx h LEU 960 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1qvx h LEU 960 CO 0.09 0.23 -0.34 0.00 0.09 0.00 0.00 178.44 178.51 1qvx h ALA 961 N 1.77 -0.76 -0.03 1.53 0.00 -1.17 0.29 119.26 120.88 1qvx h ALA 961 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1qvx h ALA 961 Cb 0.69 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1qvx h ALA 961 CO 0.03 -0.96 -0.63 1.25 0.00 0.00 0.00 179.25 178.95 1qvx h LEU 962 N -0.74 0.15 0.35 0.00 5.85 -1.51 -0.07 115.31 119.33 1qvx h LEU 962 Ca -0.03 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 962 Cb 0.65 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1qvx h LEU 962 CO -0.02 0.73 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.56 1qvx h ARG 963 N 0.09 -0.45 -0.30 1.25 1.12 -1.29 0.28 114.38 115.09 1qvx h ARG 963 Ca -0.01 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.92 1qvx h ARG 963 Cb 1.13 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.17 1qvx h ARG 963 CO 0.09 -0.25 0.20 1.15 -3.11 0.00 0.00 179.97 178.05 1qvx h THR 964 N -0.54 1.02 -0.64 0.20 2.02 -0.39 -1.32 112.91 113.25 1qvx h THR 964 Ca -0.05 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1qvx h THR 964 Cb 0.40 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1qvx h THR 964 CO 0.08 0.06 0.22 0.25 0.37 0.00 0.00 175.52 176.49 1qvx h LEU 965 N 0.31 0.92 -1.88 2.58 6.46 -0.31 -1.85 115.31 121.54 1qvx h LEU 965 Ca 0.12 -0.20 0.20 0.00 -0.12 0.00 0.00 57.88 57.88 1qvx h LEU 965 Cb 0.11 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 1qvx h LEU 965 CO -0.03 0.87 0.52 -0.07 -0.62 0.00 0.00 178.44 179.11 1qvx h LEU 966 N 0.92 0.11 -0.03 2.25 3.38 0.73 0.48 115.31 123.14 1qvx h LEU 966 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1qvx h LEU 966 Cb 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1qvx h LEU 966 CO -0.01 0.05 0.02 0.00 0.09 0.00 0.00 178.44 178.58 1qvx h ALA 967 N 1.64 0.04 -0.50 1.53 0.00 -1.19 -0.66 119.26 120.13 1qvx h ALA 967 Ca 0.36 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1qvx h ALA 967 Cb 1.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1qvx h ALA 967 CO -0.04 -0.40 0.21 1.15 0.00 0.00 0.00 179.25 180.18 1qvx h THR 968 N -0.07 0.89 -0.69 0.00 2.02 -0.91 -1.62 112.91 112.52 1qvx h THR 968 Ca 0.01 -0.14 0.19 0.00 0.77 0.00 0.00 66.41 67.24 1qvx h THR 968 Cb 0.12 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1qvx h THR 968 CO -0.00 0.08 0.49 0.58 0.37 0.00 0.00 175.52 177.04 1qvx h VAL 969 N 0.42 0.68 -0.10 3.16 2.07 0.20 0.10 116.25 122.78 1qvx h VAL 969 Ca 0.23 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.59 1qvx h VAL 969 Cb 0.20 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1qvx h VAL 969 CO -0.20 0.01 -0.51 -0.78 0.02 0.00 0.00 177.57 176.11 1qvx h ASP 970 N 0.07 0.31 0.46 0.57 1.82 -0.12 0.53 116.42 120.07 1qvx h ASP 970 Ca 0.33 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1qvx h ASP 970 Cb 1.22 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1qvx h ASP 970 CO -0.03 0.77 -0.22 -0.33 -1.61 0.00 0.00 179.24 177.82 1qvx h GLU 971 N 0.22 -0.59 -0.30 0.28 4.39 -0.86 -2.01 114.58 115.71 1qvx h GLU 971 Ca 0.01 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1qvx h GLU 971 Cb 0.98 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1qvx h GLU 971 CO 0.08 -0.38 0.29 1.03 -1.16 0.00 0.00 179.01 178.87 1qvx h SER 972 N -0.64 0.00 0.25 1.42 0.87 -1.12 -3.19 113.55 111.15 1qvx h SER 972 Ca -0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1qvx h SER 972 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1qvx h SER 972 CO 0.10 0.00 -0.21 0.25 -0.53 0.00 0.00 176.83 176.44 1qvx h LEU 973 N 0.00 -0.54 -2.07 2.23 6.46 0.86 0.88 115.31 123.13 1qvx h LEU 973 Ca 0.14 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1qvx h LEU 973 Cb 0.71 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1qvx h LEU 973 CO -0.00 -0.32 0.34 -0.65 -0.62 0.00 0.00 178.44 177.19 1qvx h PRO 974 N -0.47 0.00 0.00 5.25 0.11 -1.62 0.29 132.00 135.55 1qvx h PRO 974 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qvx h PRO 974 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1qvx h PRO 974 CO -0.02 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.05 1qvx h VAL 975 N 0.00 0.00 0.40 3.15 2.07 0.04 -3.14 116.25 118.76 1qvx h VAL 975 Ca 0.17 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1qvx h VAL 975 Cb 0.84 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1qvx h VAL 975 CO -0.00 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 177.23 1qvx h LEU 976 N 0.00 -0.74 -1.97 2.57 4.07 0.43 0.16 115.31 119.83 1qvx h LEU 976 Ca 0.00 0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.08 1qvx h LEU 976 Cb 0.79 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1qvx h LEU 976 CO 0.00 -0.41 0.18 1.55 -1.08 0.00 0.00 178.44 178.68 1qvx h PRO 977 N -0.65 0.04 0.59 1.13 0.13 -1.65 -0.92 132.00 130.67 1qvx h PRO 977 Ca -0.05 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1qvx h PRO 977 Cb 0.53 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1qvx h PRO 977 CO 0.03 0.03 -0.37 0.00 -0.23 0.00 0.00 178.00 177.45 1qvx h ALA 978 N 1.87 -0.94 0.00 -0.56 0.00 -1.45 -3.47 119.26 114.71 1qvx h ALA 978 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 978 Cb 0.43 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1qvx h ALA 978 CO -0.01 -1.05 0.00 0.43 0.00 0.00 0.00 179.25 178.63 1qvx n SER 979 N -5.51 0.00 0.07 0.00 7.64 0.33 -4.85 113.62 111.30 1qvx n SER 979 Ca -0.13 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.95 1qvx n SER 979 Cb 0.40 0.32 0.62 0.00 -1.01 0.00 0.00 64.21 64.54 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 0.18 -1.00 0.44 2.02 -0.76 -3.24 112.91 110.55 1qvx h THR 980 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1qvx h THR 980 Cb 0.00 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 1qvx h THR 980 CO 0.00 0.00 0.69 1.12 0.37 0.00 0.00 175.52 177.70 1qvx h HIS 981 N 0.00 0.26 0.19 3.16 -0.00 -1.38 0.14 115.15 117.54 1qvx h HIS 981 Ca 0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1qvx h HIS 981 Cb 1.58 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 1qvx h HIS 981 CO 0.00 0.04 -0.09 0.00 -0.00 0.00 0.00 177.93 177.88 1qvx h ARG 982 N 0.17 -0.25 -0.15 5.12 3.08 -1.84 -2.71 114.38 117.81 1qvx h ARG 982 Ca 0.51 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.49 1qvx h ARG 982 Cb 1.68 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.79 1qvx h ARG 982 CO -0.11 0.07 -0.22 1.49 -1.07 0.00 0.00 179.97 180.14 1qvx h GLU 983 N -0.60 0.41 -0.96 0.04 4.57 -1.29 -2.90 114.58 113.85 1qvx h GLU 983 Ca -0.03 -0.24 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1qvx h GLU 983 Cb 0.44 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 1qvx h GLU 983 CO 0.04 0.83 0.62 0.97 -1.18 0.00 0.00 179.01 180.29 1qvx h ILE 984 N 0.02 1.10 0.00 2.32 6.09 -0.92 0.67 117.51 126.79 1qvx h ILE 984 Ca 0.01 -0.39 -0.08 0.00 -1.37 0.00 0.00 64.86 63.04 1qvx h ILE 984 Cb 0.78 -0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.93 1qvx h ILE 984 CO 0.05 0.21 -0.36 1.05 -3.07 0.00 0.00 178.15 176.02 1qvx h GLU 985 N 1.14 0.00 -0.08 2.19 4.11 -1.49 0.53 114.58 120.97 1qvx h GLU 985 Ca 0.41 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.77 1qvx h GLU 985 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1qvx h GLU 985 CO -0.15 0.36 -0.20 0.00 0.07 0.00 0.00 179.01 179.09 1qvx h MET 986 N 0.00 0.28 -0.06 1.06 -0.00 -0.71 -2.99 114.93 112.51 1qvx h MET 986 Ca -0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 59.70 59.44 1qvx h MET 986 Cb 0.78 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1qvx h MET 986 CO 0.05 0.80 -0.20 0.00 -0.00 0.00 0.00 176.91 177.56 1qvx h ALA 987 N 0.48 0.11 -0.50 -3.00 0.00 -1.08 -2.76 119.26 112.51 1qvx h ALA 987 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1qvx h ALA 987 Cb 0.81 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1qvx h ALA 987 CO 0.04 0.07 0.26 0.37 0.00 0.00 0.00 179.25 179.99 1qvx h GLN 988 N -0.26 0.50 -0.34 0.00 4.15 -0.05 0.95 115.11 120.05 1qvx h GLN 988 Ca -0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1qvx h GLN 988 Cb 0.82 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1qvx h GLN 988 CO 0.04 0.33 -0.07 -0.22 -1.93 0.00 0.00 178.83 176.98 1qvx h LYS 989 N 0.52 0.57 -0.29 1.69 1.63 -1.63 -1.61 116.57 117.45 1qvx h LYS 989 Ca 0.22 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.76 1qvx h LYS 989 Cb 0.11 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1qvx h LYS 989 CO -0.14 0.65 -0.27 1.25 -3.45 0.00 0.00 179.45 177.49 1qvx h LEU 990 N 0.53 0.58 0.71 5.20 5.85 -0.75 -2.56 115.31 124.88 1qvx h LEU 990 Ca 0.10 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 990 Cb 0.46 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1qvx h LEU 990 CO 0.02 0.83 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.54 1qvx h LEU 991 N 0.50 -0.81 -0.92 2.25 3.38 0.15 -0.31 115.31 119.55 1qvx h LEU 991 Ca 0.07 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.30 1qvx h LEU 991 Cb 0.72 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 1qvx h LEU 991 CO 0.06 -0.54 0.35 -1.13 0.09 0.00 0.00 178.44 177.27 1qvx h ASN 992 N -1.02 0.20 0.01 -0.43 -0.73 -1.25 0.29 115.58 112.65 1qvx h ASN 992 Ca -0.10 0.19 -0.09 0.00 1.87 0.00 0.00 56.30 58.16 1qvx h ASN 992 Cb 0.75 0.21 0.01 0.00 0.27 0.00 0.00 38.32 39.56 1qvx h ASN 992 CO 0.16 -0.12 -0.37 0.77 -0.37 0.00 0.00 177.43 177.50 1qvx h SER 993 N 0.28 0.32 0.40 1.15 4.64 -1.32 -2.96 113.55 116.06 1qvx h SER 993 Ca 0.60 -0.79 -0.32 0.00 -0.47 0.00 0.00 61.79 60.81 1qvx h SER 993 Cb 1.24 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1qvx h SER 993 CO -0.62 1.07 -1.50 0.44 -0.87 0.00 0.00 176.83 175.35 1qvx h ASP 994 N -0.40 0.55 -0.35 4.97 5.19 -0.28 -2.17 116.42 123.92 1qvx h ASP 994 Ca -0.05 -0.68 0.02 0.00 -0.62 0.00 0.00 57.03 55.70 1qvx h ASP 994 Cb 1.13 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 1qvx h ASP 994 CO 0.07 1.55 0.19 0.25 -3.12 0.00 0.00 179.24 178.18 1qvx h LEU 995 N 0.10 0.29 -1.98 1.55 7.12 -0.63 -1.99 115.31 119.76 1qvx h LEU 995 Ca -0.24 0.01 0.18 0.00 0.13 0.00 0.00 57.88 57.96 1qvx h LEU 995 Cb 2.06 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 42.12 1qvx h LEU 995 CO 0.20 0.21 0.50 0.00 -0.13 0.00 0.00 178.44 179.22 1qvx h ALA 996 N 1.17 2.48 0.03 1.25 0.00 -1.36 0.73 119.26 123.56 1qvx h ALA 996 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 996 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qvx h ALA 996 CO -0.09 -0.81 -0.99 0.93 0.00 0.00 0.00 179.25 178.29 1qvx h GLU 997 N 0.00 0.27 0.00 0.00 5.08 -0.70 -0.63 114.58 118.60 1qvx h GLU 997 Ca 0.29 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1qvx h GLU 997 Cb 1.29 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1qvx h GLU 997 CO -0.00 1.07 -0.82 1.25 -1.00 0.00 0.00 179.01 179.50 1qvx h LEU 998 N 0.13 0.00 0.00 1.33 5.85 -0.66 -1.59 115.31 120.38 1qvx h LEU 998 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 998 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1qvx h LEU 998 CO 0.16 0.82 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 1qvx n ILE 999 N -3.42 0.02 0.86 4.05 3.06 0.23 -0.64 119.36 123.53 1qvx n ILE 999 Ca 0.00 0.01 0.09 0.00 -2.50 0.00 0.00 62.75 60.35 1qvx n ILE 999 Cb 0.83 -0.57 -0.03 0.00 0.54 0.00 0.00 39.64 40.40 1qvx n ILE 999 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1qvx n ASN 1000N -1.04 1.54 0.02 9.51 3.02 -0.26 -0.95 115.26 127.10 1qvx n ASN 1000Ca 0.20 -1.27 -0.12 0.00 -0.03 0.00 0.00 54.58 53.35 1qvx n ASN 1000Cb 0.11 0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.92 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 1.47 0.56 0.70 3.52 1.63 -0.20 0.66 116.57 124.91 1qvx h LYS 1001Ca 0.00 -0.44 -0.03 0.00 -0.85 0.00 0.00 60.65 59.33 1qvx h LYS 1001Cb 0.59 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1qvx h LYS 1001CO 0.00 1.06 -0.34 1.98 -3.45 0.00 0.00 179.45 178.71 1qvx h MET 1002N 0.39 -0.91 0.54 1.90 4.05 -1.50 -2.97 114.93 116.43 1qvx h MET 1002Ca -0.03 0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1qvx h MET 1002Cb 1.31 0.21 0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1qvx h MET 1002CO 0.13 -0.61 -0.26 0.87 0.23 0.00 0.00 176.91 177.28 1qvx h LYS 1003N -1.16 -0.70 0.03 0.39 1.57 -1.10 -3.13 116.57 112.47 1qvx h LYS 1003Ca -0.10 0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 1qvx h LYS 1003Cb 0.72 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1qvx h LYS 1003CO 0.16 -0.39 -1.22 1.25 -0.57 0.00 0.00 179.45 178.68 1qvx h LEU 1004N -0.98 0.10 -0.20 2.94 6.46 0.16 0.57 115.31 124.36 1qvx h LEU 1004Ca -0.07 -0.12 -0.13 0.00 -0.12 0.00 0.00 57.88 57.44 1qvx h LEU 1004Cb 0.63 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1qvx h LEU 1004CO 0.12 1.10 -0.38 0.00 -0.62 0.00 0.00 178.44 178.66 1qvx h ALA 1005N 0.89 0.31 0.00 1.25 0.00 -1.38 -2.88 119.26 117.44 1qvx h ALA 1005Ca -0.10 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1qvx h ALA 1005Cb 1.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1qvx h ALA 1005CO 0.13 0.39 -0.53 -0.56 0.00 0.00 0.00 179.25 178.69 1qvx h GLN 1006N 0.28 0.00 -0.10 0.00 -0.00 -1.55 -2.66 115.11 111.08 1qvx h GLN 1006Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1qvx h GLN 1006Cb 0.97 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.40 1qvx h GLN 1006CO 0.08 0.53 -0.21 0.37 -0.00 0.00 0.00 178.83 179.60 1qvx h GLN 1007N 0.00 -0.27 0.00 0.06 5.75 0.34 -3.34 115.11 117.65 1qvx h GLN 1007Ca -0.01 0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 1qvx h GLN 1007Cb 1.25 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 1qvx h GLN 1007CO 0.07 -0.18 -1.19 0.66 -2.65 0.00 0.00 178.83 175.53 1qvx n TYR 1008N -5.34 0.77 -4.39 3.99 4.01 -1.11 -4.97 117.16 110.12 1qvx n TYR 1008Ca -0.03 0.33 -0.36 0.00 -0.16 0.00 0.00 57.90 57.68 1qvx n TYR 1008Cb 0.26 -0.94 -0.09 0.00 -0.31 0.00 0.00 39.34 38.26 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1qvx n VAL 1009N -4.47 -0.68 -2.90 -0.72 3.14 -1.00 -4.85 118.33 106.85 1qvx n VAL 1009Ca -0.26 -0.28 -0.44 0.00 -2.96 0.00 0.00 64.34 60.40 1qvx n VAL 1009Cb 0.57 -0.89 -0.03 0.00 -1.06 0.00 0.00 33.84 32.43 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1qvx s MET 1010N -7.28 3.57 0.18 1.45 -1.94 -1.26 -4.87 119.30 109.15 1qvx s MET 1010Ca 0.37 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 1qvx s MET 1010Cb -0.22 -4.91 0.00 0.00 2.01 0.00 0.00 34.83 31.71 1qvx s MET 1010CO 1.00 -1.81 0.00 0.25 -0.01 0.00 0.00 175.02 174.46 1qvx n THR 1011N 5.62 0.00 -0.04 2.05 -2.24 -1.26 0.18 114.28 118.59 1qvx n THR 1011Ca 0.23 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.95 1qvx n THR 1011Cb 0.49 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 1qvx n THR 1011CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qvx n SER 1012N 3.18 0.46 0.09 3.42 3.41 -1.26 -3.99 113.62 118.92 1qvx n SER 1012Ca 0.00 0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1qvx n SER 1012Cb 0.00 0.58 0.43 0.00 -0.26 0.00 0.00 64.21 64.96 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qvx n LEU 1013N -2.83 0.45 -0.11 1.04 4.32 0.13 -1.82 117.00 118.19 1qvx n LEU 1013Ca -0.20 0.61 0.07 0.00 -0.02 0.00 0.00 56.01 56.47 1qvx n LEU 1013Cb 1.00 -0.56 0.41 0.00 -1.62 0.00 0.00 43.42 42.66 1qvx n LEU 1013CO 0.44 -0.47 1.20 -0.61 -1.22 0.00 0.00 177.39 176.72 1qvx h GLN 1014N 0.00 0.60 -0.00 3.23 -0.00 -1.43 -2.48 115.11 115.02 1qvx h GLN 1014Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1qvx h GLN 1014Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 1qvx h GLN 1014CO 0.00 0.39 0.01 1.96 0.00 0.00 0.00 178.83 181.19 1qvx h GLN 1015N 0.61 0.00 0.38 1.69 7.50 -1.63 0.32 115.11 123.99 1qvx h GLN 1015Ca 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.41 1qvx h GLN 1015Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 1qvx h GLN 1015CO -0.08 0.00 -0.50 1.49 -1.50 0.00 0.00 178.83 178.24 1qvx h GLU 1016N 0.00 -0.88 0.00 1.46 4.57 -1.66 0.74 114.58 118.81 1qvx h GLU 1016Ca 0.00 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1qvx h GLU 1016Cb 0.01 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1qvx h GLU 1016CO -0.00 -0.59 -0.00 1.88 -1.18 0.00 0.00 179.01 179.12 1qvx h TYR 1017N -0.91 0.00 0.14 0.92 0.05 -0.57 0.84 116.97 117.44 1qvx h TYR 1017Ca -0.04 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.52 1qvx h TYR 1017Cb 0.83 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.59 1qvx h TYR 1017CO -0.31 0.00 -0.93 -0.22 -1.05 0.00 0.00 178.16 175.66 1qvx h LYS 1018N 0.00 0.38 -0.41 4.88 3.64 -0.56 -2.81 116.57 121.69 1qvx h LYS 1018Ca -0.00 -0.60 -0.11 0.00 -1.27 0.00 0.00 60.65 58.68 1qvx h LYS 1018Cb 0.08 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1qvx h LYS 1018CO 0.00 1.27 -0.16 -0.22 -2.27 0.00 0.00 179.45 178.07 1qvx h LYS 1019N -0.21 0.83 -0.47 1.90 3.11 0.24 -2.13 116.57 119.83 1qvx h LYS 1019Ca -0.16 -0.35 0.11 0.00 -2.81 0.00 0.00 60.65 57.44 1qvx h LYS 1019Cb 1.71 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.89 1qvx h LYS 1019CO 0.18 0.98 0.33 0.37 -2.81 0.00 0.00 179.45 178.49 1qvx h GLN 1020N 0.64 0.16 -0.61 1.90 4.15 0.48 -0.04 115.11 121.78 1qvx h GLN 1020Ca 0.09 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.57 1qvx h GLN 1020Cb 0.71 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 1qvx h GLN 1020CO 0.05 0.10 0.32 1.98 -1.93 0.00 0.00 178.83 179.36 1qvx h MET 1021N 0.16 0.58 -0.77 1.69 4.05 -1.10 0.28 114.93 119.82 1qvx h MET 1021Ca 0.22 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 1qvx h MET 1021Cb 0.66 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.26 1qvx h MET 1021CO -0.03 0.38 0.43 1.25 0.23 0.00 0.00 176.91 179.17 1qvx h LEU 1022N 0.60 0.62 -0.10 3.39 5.85 -0.91 0.55 115.31 125.30 1qvx h LEU 1022Ca 0.28 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 1qvx h LEU 1022Cb 0.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1qvx h LEU 1022CO -0.19 0.37 -0.19 0.74 -0.34 0.00 0.00 178.44 178.83 1qvx h THR 1023N 0.75 1.39 -0.54 1.05 2.02 -1.34 -2.51 112.91 113.72 1qvx h THR 1023Ca 0.36 -1.48 0.07 0.00 0.77 0.00 0.00 66.41 66.13 1qvx h THR 1023Cb 0.30 2.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.77 1qvx h THR 1023CO -0.23 0.42 0.23 0.00 0.37 0.00 0.00 175.52 176.31 1qvx h ALA 1024N 0.51 0.69 -0.47 6.16 0.00 0.17 0.26 119.26 126.59 1qvx h ALA 1024Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1qvx h ALA 1024Cb 0.78 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1qvx h ALA 1024CO 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.19 1qvx h ALA 1025N 1.34 1.22 -0.44 0.00 0.00 0.03 -0.64 119.26 120.77 1qvx h ALA 1025Ca 0.26 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1025Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qvx h ALA 1025CO -0.23 0.53 -0.06 1.25 0.00 0.00 0.00 179.25 180.73 1qvx h HIS 1026N 0.70 0.91 -0.22 0.00 6.17 -0.81 -0.72 115.15 121.18 1qvx h HIS 1026Ca 0.15 -0.18 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1qvx h HIS 1026Cb 0.35 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1qvx h HIS 1026CO 0.02 0.91 0.12 0.00 0.71 0.00 0.00 177.93 179.69 1qvx h ALA 1027N 0.88 0.29 -0.52 5.26 0.00 -0.02 -1.47 119.26 123.69 1qvx h ALA 1027Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1qvx h ALA 1027Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qvx h ALA 1027CO 0.03 -0.18 0.07 1.25 0.00 0.00 0.00 179.25 180.42 1qvx h LEU 1028N 0.26 0.83 -2.05 0.00 6.46 -1.09 -0.39 115.31 119.33 1qvx h LEU 1028Ca 0.08 -0.27 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1qvx h LEU 1028Cb 0.06 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1qvx h LEU 1028CO -0.01 0.90 0.24 0.00 -0.62 0.00 0.00 178.44 178.94 1qvx h ALA 1029N 0.97 2.20 -0.02 1.25 0.00 -0.94 -0.36 119.26 122.35 1qvx h ALA 1029Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 1029Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 1029CO 0.01 -0.39 -0.20 0.28 0.00 0.00 0.00 179.25 178.95 1qvx h VAL 1030N 0.00 1.50 -0.77 0.00 2.07 -0.02 -0.92 116.25 118.11 1qvx h VAL 1030Ca 0.14 -1.77 0.01 0.00 0.82 0.00 0.00 66.70 65.91 1qvx h VAL 1030Cb 0.61 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1qvx h VAL 1030CO -0.00 0.49 0.51 -2.24 0.02 0.00 0.00 177.57 176.34 1qvx h ASP 1031N -0.43 0.88 -0.00 0.57 3.04 -0.49 0.40 116.42 120.37 1qvx h ASP 1031Ca -0.02 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1qvx h ASP 1031Cb 0.90 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 38.97 1qvx h ASP 1031CO 0.04 0.63 0.00 0.00 -2.04 0.00 0.00 179.24 177.87 1qvx h ALA 1032N 1.29 0.01 -0.86 4.15 0.00 -1.18 -0.28 119.26 122.39 1qvx h ALA 1032Ca 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1qvx h ALA 1032Cb -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1qvx h ALA 1032CO -0.07 -0.42 0.57 -0.22 0.00 0.00 0.00 179.25 179.11 1qvx h LYS 1033N -0.13 1.12 0.14 0.00 3.64 -0.61 0.74 116.57 121.47 1qvx h LYS 1033Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1qvx h LYS 1033Cb 0.14 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1qvx h LYS 1033CO -0.00 0.74 -0.07 -0.97 -2.27 0.00 0.00 179.45 176.88 1qvx h ASN 1034N 1.15 -0.16 -0.61 4.20 -1.24 -0.10 -3.02 115.58 115.80 1qvx h ASN 1034Ca 0.32 -0.38 0.09 0.00 0.71 0.00 0.00 56.30 57.04 1qvx h ASN 1034Cb -0.11 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 1qvx h ASN 1034CO -0.07 0.39 0.41 0.25 -1.29 0.00 0.00 177.43 177.11 1qvx h LEU 1035N -0.81 0.40 -1.02 0.34 5.85 -0.92 0.11 115.31 119.25 1qvx h LEU 1035Ca -0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 1035Cb 0.54 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1qvx h LEU 1035CO 0.03 0.24 0.40 0.17 -0.34 0.00 0.00 178.44 178.95 1qvx h LEU 1036N 0.45 0.98 -0.56 2.25 8.10 -0.85 0.59 115.31 126.26 1qvx h LEU 1036Ca 0.28 -0.09 -0.11 0.00 0.11 0.00 0.00 57.88 58.06 1qvx h LEU 1036Cb 0.51 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 1qvx h LEU 1036CO -0.08 0.81 -0.08 -0.78 -4.11 0.00 0.00 178.44 174.20 1qvx h ASP 1037N 1.09 1.05 0.15 0.17 3.58 -1.06 -1.98 116.42 119.42 1qvx h ASP 1037Ca 0.27 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1qvx h ASP 1037Cb 0.06 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1qvx h ASP 1037CO -0.04 1.14 -0.07 0.58 -2.88 0.00 0.00 179.24 177.97 1qvx h VAL 1038N 0.94 0.00 -0.14 2.25 2.07 0.13 -2.67 116.25 118.82 1qvx h VAL 1038Ca 0.15 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.53 1qvx h VAL 1038Cb 0.65 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1qvx h VAL 1038CO 0.05 0.00 -0.47 0.16 0.02 0.00 0.00 177.57 177.32 1qvx h ILE 1039N -0.21 1.33 -0.77 4.57 -0.00 -0.04 1.25 117.51 123.63 1qvx h ILE 1039Ca -0.02 -1.68 0.17 0.00 -0.00 0.00 0.00 64.86 63.34 1qvx h ILE 1039Cb 0.16 1.74 -0.11 0.00 -0.00 0.00 0.00 36.82 38.60 1qvx h ILE 1039CO 0.03 0.51 0.22 -0.78 -0.00 0.00 0.00 178.15 178.13 1qvx h ASP 1040N 0.28 0.06 1.45 2.16 1.82 -1.49 0.58 116.42 121.29 1qvx h ASP 1040Ca 0.02 0.15 -0.10 0.00 -0.39 0.00 0.00 57.03 56.71 1qvx h ASP 1040Cb 0.94 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.13 1qvx h ASP 1040CO 0.08 -0.04 -0.46 1.56 -1.61 0.00 0.00 179.24 178.77 1qvx h GLN 1041N 0.29 0.00 0.06 0.28 1.08 -0.80 -3.12 115.11 112.91 1qvx h GLN 1041Ca 0.45 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.67 1qvx h GLN 1041Cb 0.78 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 1qvx h GLN 1041CO -0.52 0.46 -0.30 0.00 -0.95 0.00 0.00 178.83 177.52 1qvx h ALA 1042N 1.54 -0.47 -0.45 3.87 0.00 0.37 1.46 119.26 125.57 1qvx h ALA 1042Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1qvx h ALA 1042Cb 1.31 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1qvx h ALA 1042CO 0.06 -0.82 0.30 0.00 0.00 0.00 0.00 179.25 178.79 1qvx h ARG 1043N -0.48 0.35 0.00 0.00 2.47 -1.20 0.11 114.38 115.64 1qvx h ARG 1043Ca 0.05 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 1qvx h ARG 1043Cb 0.54 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1qvx h ARG 1043CO -0.21 0.23 -0.57 1.25 0.56 0.00 0.00 179.97 181.23 1qvx h LEU 1044N 0.36 0.00 -0.63 3.04 5.85 -1.24 -2.47 115.31 120.22 1qvx h LEU 1044Ca 0.20 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1qvx h LEU 1044Cb 0.32 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1qvx h LEU 1044CO -0.05 0.57 0.35 0.11 -0.34 0.00 0.00 178.44 179.08 1qvx h LYS 1045N 0.00 0.63 -0.58 1.25 1.79 0.45 0.99 116.57 121.10 1qvx h LYS 1045Ca -0.01 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1qvx h LYS 1045Cb 1.34 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1qvx h LYS 1045CO 0.07 0.42 0.03 1.98 -1.08 0.00 0.00 179.45 180.87 1qvx h MET 1046N 0.65 0.99 -0.33 3.15 4.05 -1.16 -0.42 114.93 121.85 1qvx h MET 1046Ca 0.28 -0.29 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1qvx h MET 1046Cb 0.15 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1qvx h MET 1046CO -0.17 0.96 -0.19 0.82 0.23 0.00 0.00 176.91 178.57 1qvx h ILE 1047N 0.92 1.26 0.38 1.77 1.08 -0.91 -0.19 117.51 121.82 1qvx h ILE 1047Ca 0.17 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 1qvx h ILE 1047Cb 0.50 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1qvx h ILE 1047CO 0.02 0.40 -0.18 -1.28 -0.69 0.00 0.00 178.15 176.42 1qvx h SER 1048N 0.55 -0.43 -0.22 1.72 0.87 0.18 0.30 113.55 116.52 1qvx h SER 1048Ca 0.09 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1qvx h SER 1048Cb 0.63 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1qvx h SER 1048CO 0.04 -0.29 -0.24 -0.61 -0.53 0.00 0.00 176.83 175.21 1qvx h GLN 1049N -0.54 0.55 -0.78 2.24 4.15 -1.08 -3.14 115.11 116.50 1qvx h GLN 1049Ca -0.05 -0.30 -0.11 0.00 0.77 0.00 0.00 58.65 58.97 1qvx h GLN 1049Cb 0.41 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1qvx h GLN 1049CO 0.09 0.89 0.14 0.43 -1.93 0.00 0.00 178.83 178.44 1qvx n SER 1050N -4.39 4.18 0.07 -0.69 7.64 -0.09 -4.38 113.62 115.97 1qvx n SER 1050Ca -0.05 -2.81 -0.13 0.00 1.01 0.00 0.00 58.87 56.89 1qvx n SER 1050Cb 0.43 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 1qvx n SER 1050CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1qvx h ARG 1051N 2.27 -0.10 0.00 1.43 2.43 -0.35 -3.34 114.38 116.73 1qvx h ARG 1051Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1qvx h ARG 1051Cb 1.80 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1qvx h ARG 1051CO 0.48 -0.06 0.00 -2.30 -1.51 0.00 0.00 179.97 176.58 1qvx n PRO 1052N -5.14 0.00 0.00 0.20 -0.02 -1.26 -5.09 135.00 123.70 1qvx n PRO 1052Ca -0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1qvx n PRO 1052Cb 0.07 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1qvx n PRO 1052CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09