#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 4.18 -3.69 6.15 7.64 -1.26 -4.73 113.62 121.92 1qvx n SER 921 Ca 0.00 -2.10 -0.21 0.00 1.01 0.00 0.00 58.87 57.57 1qvx n SER 921 Cb 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 1.59 -5.28 -3.22 6.43 4.13 -1.26 -4.90 115.26 112.75 1qvx n ASN 922 Ca 0.00 -0.84 -0.04 0.00 1.68 0.00 0.00 54.58 55.38 1qvx n ASN 922 Cb 0.39 -2.21 0.04 0.00 -1.54 0.00 0.00 39.78 36.47 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 -2.50 -1.53 0.07 6.41 -0.08 -1.26 -3.52 116.55 114.14 1qvx n ASP 923 Ca -0.27 -0.12 0.02 0.00 -1.51 0.00 0.00 54.79 52.90 1qvx n ASP 923 Cb 0.67 -0.27 0.08 0.00 2.34 0.00 0.00 41.12 43.94 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 -0.47 0.02 0.18 -0.67 0.00 -1.26 0.25 118.16 116.21 1qvx n LYS 924 Ca 0.02 0.32 -0.14 0.00 0.00 0.00 0.00 58.31 58.51 1qvx n LYS 924 Cb 0.09 -1.98 -0.08 0.00 0.00 0.00 0.00 35.03 33.05 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 0.65 0.00 3.15 -1.51 -1.87 -0.91 116.25 115.75 1qvx h VAL 925 Ca 0.00 -0.46 -0.18 0.00 -1.23 0.00 0.00 66.70 64.82 1qvx h VAL 925 Cb 0.82 0.88 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 1qvx h VAL 925 CO 0.00 0.09 -0.86 0.22 -1.23 0.00 0.00 177.57 175.79 1qvx h TYR 926 N -0.74 0.00 0.56 5.19 3.20 -0.25 -3.02 116.97 121.92 1qvx h TYR 926 Ca -0.05 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1qvx h TYR 926 Cb 0.50 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.78 1qvx h TYR 926 CO 0.01 0.86 -0.27 0.93 -1.64 0.00 0.00 178.16 178.05 1qvx h GLU 927 N 0.00 -0.72 -0.07 1.82 5.08 -1.51 -3.06 114.58 116.11 1qvx h GLU 927 Ca -0.01 0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1qvx h GLU 927 Cb 1.61 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1qvx h GLU 927 CO 0.11 -0.48 -0.58 -0.97 -1.00 0.00 0.00 179.01 176.09 1qvx h ASN 928 N -0.96 0.25 -0.77 1.42 -1.24 -1.27 -1.64 115.58 111.37 1qvx h ASN 928 Ca -0.08 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 56.79 1qvx h ASN 928 Cb 0.58 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.52 1qvx h ASN 928 CO 0.13 0.77 0.48 1.62 -1.29 0.00 0.00 177.43 179.14 1qvx h VAL 929 N 0.17 1.21 -0.19 2.57 3.04 -1.66 0.17 116.25 121.56 1qvx h VAL 929 Ca -0.00 -0.45 -0.07 0.00 -1.01 0.00 0.00 66.70 65.17 1qvx h VAL 929 Cb 1.07 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1qvx h VAL 929 CO 0.09 0.22 -0.17 0.74 -1.01 0.00 0.00 177.57 177.43 1qvx h THR 930 N 1.07 1.22 -0.47 3.17 2.02 -1.29 -1.92 112.91 116.71 1qvx h THR 930 Ca 0.28 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.54 1qvx h THR 930 Cb -0.06 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1qvx h THR 930 CO -0.05 0.31 0.32 1.23 0.37 0.00 0.00 175.52 177.69 1qvx h GLY 931 N 0.88 0.48 0.99 2.16 0.00 0.20 0.14 103.07 107.93 1qvx h GLY 931 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1qvx h GLY 931 CO 0.03 0.12 0.26 -2.00 0.00 0.00 0.00 176.54 174.96 1qvx h LEU 932 N 0.39 0.78 -0.62 3.11 5.85 -0.37 0.22 115.31 124.68 1qvx h LEU 932 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1qvx h LEU 932 Cb 0.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1qvx h LEU 932 CO -0.05 0.71 0.23 0.58 -0.34 0.00 0.00 178.44 179.57 1qvx h VAL 933 N 0.80 1.24 -0.07 1.05 2.07 -1.05 -0.30 116.25 119.99 1qvx h VAL 933 Ca 0.20 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1qvx h VAL 933 Cb 0.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1qvx h VAL 933 CO -0.02 0.30 -0.23 0.11 0.02 0.00 0.00 177.57 177.75 1qvx h LYS 934 N 0.88 0.11 0.00 1.57 1.79 -0.45 -1.65 116.57 118.83 1qvx h LYS 934 Ca 0.21 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.54 1qvx h LYS 934 Cb 0.24 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1qvx h LYS 934 CO -0.01 0.34 -0.49 0.00 -1.08 0.00 0.00 179.45 178.21 1qvx h ALA 935 N 1.67 0.71 0.00 3.86 0.00 0.03 -1.99 119.26 123.54 1qvx h ALA 935 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qvx h ALA 935 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qvx h ALA 935 CO 0.03 0.61 -0.11 1.55 0.00 0.00 0.00 179.25 181.33 1qvx n VAL 936 N -3.26 0.15 0.02 0.00 3.14 -0.18 -2.07 118.33 116.14 1qvx n VAL 936 Ca 0.02 -0.08 -0.11 0.00 -2.96 0.00 0.00 64.34 61.21 1qvx n VAL 936 Cb 0.71 -0.39 0.03 0.00 -1.06 0.00 0.00 33.84 33.13 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 1.34 -0.94 1.55 1.08 -0.68 -2.78 117.51 117.07 1qvx h ILE 937 Ca 0.00 -1.95 0.16 0.00 -0.39 0.00 0.00 64.86 62.68 1qvx h ILE 937 Cb 0.57 1.93 -0.08 0.00 -3.07 0.00 0.00 36.82 36.16 1qvx h ILE 937 CO 0.00 0.60 0.60 -0.33 -0.69 0.00 0.00 178.15 178.33 1qvx h GLU 938 N 0.38 0.70 -0.51 2.37 4.39 -0.80 -0.43 114.58 120.69 1qvx h GLU 938 Ca -0.01 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1qvx h GLU 938 Cb 1.21 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1qvx h GLU 938 CO 0.12 0.47 0.29 1.98 -1.16 0.00 0.00 179.01 180.70 1qvx h MET 939 N 0.73 0.55 -0.20 2.33 4.05 -1.25 0.48 114.93 121.62 1qvx h MET 939 Ca 0.49 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.81 1qvx h MET 939 Cb 0.79 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1qvx h MET 939 CO -0.26 0.36 -0.16 0.77 0.23 0.00 0.00 176.91 177.85 1qvx h SER 940 N 0.57 0.33 0.33 1.39 0.02 -1.06 -1.47 113.55 113.65 1qvx h SER 940 Ca 0.21 -0.08 -0.26 0.00 -0.84 0.00 0.00 61.79 60.82 1qvx h SER 940 Cb 0.06 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1qvx h SER 940 CO -0.12 0.52 -1.11 0.28 -1.14 0.00 0.00 176.83 175.26 1qvx h SER 941 N 0.32 0.63 0.52 3.07 0.02 -0.19 -2.98 113.55 114.93 1qvx h SER 941 Ca 0.06 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 1qvx h SER 941 Cb 0.48 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1qvx h SER 941 CO 0.03 1.39 -0.49 0.11 -1.14 0.00 0.00 176.83 176.73 1qvx h LYS 942 N 0.21 0.00 0.00 3.45 1.79 0.14 -2.40 116.57 119.77 1qvx h LYS 942 Ca -0.13 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 1qvx h LYS 942 Cb 1.78 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.42 1qvx h LYS 942 CO 0.20 0.49 -0.32 0.97 -1.08 0.00 0.00 179.45 179.70 1qvx h ILE 943 N 0.00 0.56 0.23 1.86 2.10 -1.27 -3.35 117.51 117.64 1qvx h ILE 943 Ca -0.00 -1.75 0.01 0.00 1.08 0.00 0.00 64.86 64.19 1qvx h ILE 943 Cb 0.87 2.25 -0.03 0.00 -1.09 0.00 0.00 36.82 38.82 1qvx h ILE 943 CO 0.06 0.31 -0.33 1.56 -1.08 0.00 0.00 178.15 178.67 1qvx h GLN 944 N 0.00 -0.61 -0.01 2.19 1.08 -1.27 -3.29 115.11 113.21 1qvx h GLN 944 Ca -0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1qvx h GLN 944 Cb 1.22 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1qvx h GLN 944 CO 0.04 -0.40 -0.23 -0.35 -0.95 0.00 0.00 178.83 176.94 1qvx n PRO 945 N -5.43 1.04 -4.31 1.46 -0.05 -1.25 -4.95 135.00 121.51 1qvx n PRO 945 Ca -0.08 -0.65 -0.17 0.00 -0.05 0.00 0.00 63.50 62.56 1qvx n PRO 945 Cb 0.34 -1.49 -0.10 0.00 -0.05 0.00 0.00 33.50 32.20 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1qvx s ALA 946 N -2.41 1.75 0.99 0.55 0.00 -1.24 -5.15 121.76 116.25 1qvx s ALA 946 Ca 0.26 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 1qvx s ALA 946 Cb 0.19 0.16 0.20 0.00 0.00 0.00 0.00 23.12 23.67 1qvx s ALA 946 CO 0.49 -0.10 1.19 -2.30 0.00 0.00 0.00 175.76 175.03 1qvx n PRO 947 N -0.33 -1.12 0.28 0.00 -0.02 -1.26 -4.79 135.00 127.75 1qvx n PRO 947 Ca -0.08 -1.88 0.07 0.00 -2.02 0.00 0.00 63.50 59.59 1qvx n PRO 947 Cb 0.62 -1.21 0.39 0.00 -0.02 0.00 0.00 33.50 33.28 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 0.00 0.52 0.13 -2.00 0.66 132.00 131.31 1qvx h PRO 948 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1qvx h PRO 948 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qvx h PRO 948 CO 0.28 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.44 1qvx n GLU 949 N -2.47 0.07 -0.05 0.86 1.02 -1.26 -0.29 120.64 118.52 1qvx n GLU 949 Ca -0.01 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 1qvx n GLU 949 Cb 0.59 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 1qvx n GLU 949 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1qvx n GLU 950 N -1.21 0.66 -0.30 3.49 0.00 0.23 -4.10 120.64 119.41 1qvx n GLU 950 Ca 0.02 0.08 0.09 0.00 0.00 0.00 0.00 57.16 57.34 1qvx n GLU 950 Cb 0.02 -1.63 0.21 0.00 0.00 0.00 0.00 31.44 30.04 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1qvx h TYR 951 N 0.00 -0.08 0.50 -1.84 -1.99 -0.83 0.84 116.97 113.57 1qvx h TYR 951 Ca -0.35 0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.42 1qvx h TYR 951 Cb 1.91 0.18 0.00 0.00 2.00 0.00 0.00 36.73 40.82 1qvx h TYR 951 CO 0.00 -0.33 -0.24 -0.24 -0.00 0.00 0.00 178.16 177.35 1qvx h VAL 952 N 0.06 0.06 -0.62 -2.88 3.04 -1.75 -3.14 116.25 111.02 1qvx h VAL 952 Ca 0.49 -0.52 0.02 0.00 -1.01 0.00 0.00 66.70 65.69 1qvx h VAL 952 Cb 0.92 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.26 1qvx h VAL 952 CO -0.80 0.01 0.41 -0.65 -1.01 0.00 0.00 177.57 175.54 1qvx h PRO 953 N -1.16 0.76 -0.18 4.17 0.11 -1.55 -0.68 132.00 133.47 1qvx h PRO 953 Ca -0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1qvx h PRO 953 Cb 0.54 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1qvx h PRO 953 CO 0.11 0.50 0.06 0.00 -0.21 0.00 0.00 178.00 178.46 1qvx h MET 954 N 0.78 0.28 0.00 1.05 -0.00 0.57 -0.37 114.93 117.24 1qvx h MET 954 Ca 0.24 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.70 59.83 1qvx h MET 954 Cb 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.56 1qvx h MET 954 CO -0.06 0.39 -0.22 0.28 -0.00 0.00 0.00 176.91 177.30 1qvx h VAL 955 N 0.12 0.86 -0.70 -0.10 2.07 -1.47 -2.45 116.25 114.58 1qvx h VAL 955 Ca 0.06 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1qvx h VAL 955 Cb 0.23 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1qvx h VAL 955 CO -0.00 0.22 0.29 0.50 0.02 0.00 0.00 177.57 178.60 1qvx h LYS 956 N 0.00 1.02 -0.63 1.57 3.64 0.18 0.81 116.57 123.16 1qvx h LYS 956 Ca -0.00 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1qvx h LYS 956 Cb 0.49 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1qvx h LYS 956 CO 0.03 0.82 0.25 0.93 -2.27 0.00 0.00 179.45 179.21 1qvx h GLU 957 N 1.00 0.43 0.00 1.90 4.39 -0.62 -0.37 114.58 121.31 1qvx h GLU 957 Ca 0.24 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1qvx h GLU 957 Cb 0.17 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1qvx h GLU 957 CO -0.02 0.29 -0.15 0.28 -1.16 0.00 0.00 179.01 178.24 1qvx h VAL 958 N 0.45 0.37 -0.09 3.13 2.07 -1.21 -2.65 116.25 118.32 1qvx h VAL 958 Ca 0.31 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1qvx h VAL 958 Cb 0.38 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1qvx h VAL 958 CO -0.30 0.15 -0.29 1.23 0.02 0.00 0.00 177.57 178.38 1qvx h GLY 959 N 2.19 0.39 2.00 2.17 0.00 0.82 -2.37 103.07 108.27 1qvx h GLY 959 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1qvx h GLY 959 CO 0.02 0.46 -0.05 1.41 0.00 0.00 0.00 176.54 178.38 1qvx h LEU 960 N -0.11 0.00 0.62 3.11 -0.00 -1.44 -2.62 115.31 114.87 1qvx h LEU 960 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1qvx h LEU 960 Cb 0.92 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1qvx h LEU 960 CO 0.06 0.05 -0.30 0.00 -0.00 0.00 0.00 178.44 178.25 1qvx h ALA 961 N 1.95 -0.84 0.00 1.53 0.00 -1.05 0.28 119.26 121.13 1qvx h ALA 961 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1qvx h ALA 961 Cb 0.34 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qvx h ALA 961 CO 0.01 -0.91 -0.39 1.25 0.00 0.00 0.00 179.25 179.21 1qvx h LEU 962 N -0.95 0.00 0.21 0.00 6.46 -1.46 -0.48 115.31 119.09 1qvx h LEU 962 Ca -0.09 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1qvx h LEU 962 Cb 0.68 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1qvx h LEU 962 CO 0.14 0.39 -0.25 -0.09 -0.62 0.00 0.00 178.44 178.01 1qvx h ARG 963 N 0.00 -0.49 -0.95 1.25 1.12 -1.32 0.17 114.38 114.15 1qvx h ARG 963 Ca -0.00 0.03 0.14 0.00 -1.11 0.00 0.00 59.98 59.04 1qvx h ARG 963 Cb 0.83 0.11 -0.08 0.00 -0.01 0.00 0.00 29.97 30.82 1qvx h ARG 963 CO 0.05 -0.33 0.60 1.15 -3.11 0.00 0.00 179.97 178.33 1qvx h THR 964 N -0.51 0.85 0.00 0.20 2.02 -0.03 0.64 112.91 116.08 1qvx h THR 964 Ca 0.01 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1qvx h THR 964 Cb 0.49 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1qvx h THR 964 CO -0.08 0.15 -0.21 0.25 0.37 0.00 0.00 175.52 176.00 1qvx h LEU 965 N 0.81 0.00 -1.44 2.58 6.46 -0.29 -1.86 115.31 121.58 1qvx h LEU 965 Ca 0.48 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 58.20 1qvx h LEU 965 Cb 0.66 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1qvx h LEU 965 CO -0.25 0.21 -0.11 0.25 -0.62 0.00 0.00 178.44 177.92 1qvx h LEU 966 N 0.00 0.21 -0.84 2.25 5.85 0.17 0.16 115.31 123.12 1qvx h LEU 966 Ca -0.00 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1qvx h LEU 966 Cb 0.38 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1qvx h LEU 966 CO 0.03 0.36 0.11 0.00 -0.34 0.00 0.00 178.44 178.59 1qvx h ALA 967 N 1.67 1.05 -0.74 1.25 0.00 -1.22 -2.00 119.26 119.27 1qvx h ALA 967 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1qvx h ALA 967 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1qvx h ALA 967 CO 0.02 0.62 0.30 1.15 0.00 0.00 0.00 179.25 181.33 1qvx h THR 968 N 0.92 1.25 -0.60 0.00 2.02 -1.00 -1.84 112.91 113.66 1qvx h THR 968 Ca 0.19 -0.77 0.14 0.00 0.77 0.00 0.00 66.41 66.74 1qvx h THR 968 Cb 0.39 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1qvx h THR 968 CO 0.01 0.32 0.42 0.58 0.37 0.00 0.00 175.52 177.21 1qvx h VAL 969 N 1.07 0.78 0.00 3.16 2.07 -0.04 0.18 116.25 123.47 1qvx h VAL 969 Ca 0.25 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1qvx h VAL 969 Cb 0.20 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1qvx h VAL 969 CO -0.02 0.03 -0.22 0.44 0.02 0.00 0.00 177.57 177.82 1qvx h ASP 970 N 0.18 0.00 0.18 0.57 3.32 -0.88 0.60 116.42 120.39 1qvx h ASP 970 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1qvx h ASP 970 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1qvx h ASP 970 CO -0.05 0.22 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.28 1qvx h GLU 971 N 0.00 -0.24 0.00 3.56 4.39 -0.52 -3.12 114.58 118.65 1qvx h GLU 971 Ca -0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1qvx h GLU 971 Cb 0.87 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1qvx h GLU 971 CO 0.03 0.11 -0.10 0.66 -1.16 0.00 0.00 179.01 178.54 1qvx h SER 972 N -0.63 0.00 0.09 1.42 4.64 -1.15 -3.22 113.55 114.71 1qvx h SER 972 Ca -0.03 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1qvx h SER 972 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1qvx h SER 972 CO 0.04 0.10 -0.23 0.25 -0.87 0.00 0.00 176.83 176.13 1qvx h LEU 973 N 0.00 -0.64 -2.40 5.97 5.85 0.28 0.42 115.31 124.79 1qvx h LEU 973 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1qvx h LEU 973 Cb 0.42 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1qvx h LEU 973 CO 0.01 -0.31 -0.03 -0.65 -0.34 0.00 0.00 178.44 177.13 1qvx h PRO 974 N -0.41 0.00 0.00 5.25 0.11 -1.65 0.16 132.00 135.46 1qvx h PRO 974 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1qvx h PRO 974 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1qvx h PRO 974 CO -0.14 0.03 0.00 0.28 -0.21 0.00 0.00 178.00 177.95 1qvx n VAL 975 N -3.73 0.69 0.06 3.15 0.31 0.32 -3.05 118.33 116.09 1qvx n VAL 975 Ca -0.03 0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1qvx n VAL 975 Cb 0.11 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.18 -2.30 7.52 6.46 0.27 0.54 115.31 127.63 1qvx h LEU 976 Ca 0.00 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 1qvx h LEU 976 Cb 0.50 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1qvx h LEU 976 CO 0.00 0.31 -0.03 -0.65 -0.62 0.00 0.00 178.44 177.44 1qvx h PRO 977 N -0.73 0.00 0.28 5.25 0.11 -1.62 -2.97 132.00 132.32 1qvx h PRO 977 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1qvx h PRO 977 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1qvx h PRO 977 CO 0.04 0.03 -0.13 0.00 -0.21 0.00 0.00 178.00 177.72 1qvx h ALA 978 N 1.97 -0.65 0.00 -0.75 0.00 -1.43 -3.48 119.26 114.91 1qvx h ALA 978 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qvx h ALA 978 Cb 0.09 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qvx h ALA 978 CO 0.00 -0.62 0.00 0.43 0.00 0.00 0.00 179.25 179.06 1qvx n SER 979 N -3.65 0.00 0.14 0.00 7.64 0.14 -4.89 113.62 112.99 1qvx n SER 979 Ca -0.05 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.93 1qvx n SER 979 Cb 0.15 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.85 1qvx n SER 979 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1qvx n THR 980 N -0.90 1.13 0.31 0.44 5.66 0.14 -3.58 114.28 117.48 1qvx n THR 980 Ca 0.00 0.64 0.11 0.00 -3.05 0.00 0.00 64.05 61.74 1qvx n THR 980 Cb 0.00 -1.62 0.57 0.00 -1.55 0.00 0.00 70.33 67.73 1qvx n THR 980 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 175.07 173.14 1qvx h HIS 981 N 0.00 0.00 0.09 1.09 2.07 -1.70 0.17 115.15 116.87 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 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1qvx h HIS 981 CO 0.00 0.00 -0.04 -0.09 -3.07 0.00 0.00 177.93 174.73 1qvx h ARG 982 N 0.00 -0.11 0.04 5.12 9.65 -1.89 -3.24 114.38 123.95 1qvx h ARG 982 Ca 0.00 0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.71 1qvx h ARG 982 Cb 0.94 0.03 0.02 0.00 -1.39 0.00 0.00 29.97 29.57 1qvx h ARG 982 CO 0.00 0.43 -0.71 0.93 2.80 0.00 0.00 179.97 183.42 1qvx h GLU 983 N -0.81 0.40 -0.31 0.20 3.07 -1.08 -2.87 114.58 113.19 1qvx h GLU 983 Ca -0.01 -0.49 0.09 0.00 -0.50 0.00 0.00 59.36 58.44 1qvx h GLU 983 Cb 0.59 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1qvx h GLU 983 CO 0.02 1.16 0.22 0.97 -1.40 0.00 0.00 179.01 179.99 1qvx h ILE 984 N -0.14 0.85 -0.09 3.13 6.09 -1.10 0.33 117.51 126.59 1qvx h ILE 984 Ca -0.10 -0.01 -0.11 0.00 -1.37 0.00 0.00 64.86 63.28 1qvx h ILE 984 Cb 1.45 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1qvx h ILE 984 CO 0.14 0.00 -0.36 -0.33 -3.07 0.00 0.00 178.15 174.53 1qvx h GLU 985 N 0.02 0.40 0.39 2.19 4.39 -1.62 -3.02 114.58 117.33 1qvx h GLU 985 Ca 0.15 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 1qvx h GLU 985 Cb 0.57 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1qvx h GLU 985 CO -0.00 0.94 -0.19 0.00 -1.16 0.00 0.00 179.01 178.60 1qvx h MET 986 N -0.05 -0.50 -0.04 2.33 -0.00 -0.13 -2.62 114.93 113.92 1qvx h MET 986 Ca -0.02 0.03 -0.21 0.00 -0.00 0.00 0.00 59.70 59.51 1qvx h MET 986 Cb 1.00 0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.71 1qvx h MET 986 CO 0.08 -0.26 -0.85 0.00 -0.00 0.00 0.00 176.91 175.87 1qvx h ALA 987 N -0.10 0.46 -0.98 -3.00 0.00 -1.57 -3.15 119.26 110.91 1qvx h ALA 987 Ca -0.05 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1qvx h ALA 987 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1qvx h ALA 987 CO 0.09 0.79 0.65 0.37 0.00 0.00 0.00 179.25 181.15 1qvx h GLN 988 N 0.26 1.27 -0.71 0.00 5.75 -1.45 1.06 115.11 121.29 1qvx h GLN 988 Ca -0.06 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1qvx h GLN 988 Cb 1.46 -0.29 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 1qvx h GLN 988 CO 0.15 0.84 0.41 0.87 -2.65 0.00 0.00 178.83 178.45 1qvx h LYS 989 N 1.31 0.98 -0.53 1.69 1.79 -1.49 -1.37 116.57 118.93 1qvx h LYS 989 Ca 0.37 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.65 1qvx h LYS 989 Cb -0.11 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.32 1qvx h LYS 989 CO -0.09 0.72 -0.01 1.25 -1.08 0.00 0.00 179.45 180.23 1qvx h LEU 990 N 0.98 0.89 -0.27 2.94 5.85 -0.94 -2.70 115.31 122.05 1qvx h LEU 990 Ca 0.25 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1qvx h LEU 990 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1qvx h LEU 990 CO -0.04 0.96 0.14 -0.07 -0.34 0.00 0.00 178.44 179.08 1qvx h LEU 991 N 0.85 0.34 -0.45 2.25 3.38 0.15 -1.02 115.31 120.81 1qvx h LEU 991 Ca 0.16 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1qvx h LEU 991 Cb 0.51 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1qvx h LEU 991 CO 0.03 0.34 0.23 -1.13 0.09 0.00 0.00 178.44 178.00 1qvx h ASN 992 N 0.31 0.34 -0.17 -0.43 -0.00 -1.12 0.13 115.58 114.64 1qvx h ASN 992 Ca 0.09 0.02 -0.17 0.00 -0.00 0.00 0.00 56.30 56.25 1qvx h ASN 992 Cb 0.08 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1qvx h ASN 992 CO -0.01 0.24 -0.51 0.77 -0.00 0.00 0.00 177.43 177.93 1qvx h SER 993 N 0.47 0.82 0.09 1.15 4.64 -1.31 -2.88 113.55 116.53 1qvx h SER 993 Ca 0.19 -0.42 -0.35 0.00 -0.47 0.00 0.00 61.79 60.75 1qvx h SER 993 Cb 0.09 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1qvx h SER 993 CO -0.13 1.18 -1.93 0.47 -0.87 0.00 0.00 176.83 175.55 1qvx n ASP 994 N -4.00 2.06 -0.36 4.97 9.92 -0.40 -2.40 116.55 126.34 1qvx n ASP 994 Ca -0.03 0.22 -0.02 0.00 -0.53 0.00 0.00 54.79 54.42 1qvx n ASP 994 Cb 0.59 -0.84 0.10 0.00 -0.64 0.00 0.00 41.12 40.34 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1qvx h LEU 995 N -0.16 1.10 0.06 0.64 7.12 -0.92 0.13 115.31 123.28 1qvx h LEU 995 Ca -0.43 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.56 1qvx h LEU 995 Cb 1.88 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.72 1qvx h LEU 995 CO 0.00 0.80 -0.09 0.00 -0.13 0.00 0.00 178.44 179.02 1qvx h ALA 996 N 1.36 -0.15 0.00 1.25 0.00 -1.59 -0.38 119.26 119.76 1qvx h ALA 996 Ca 0.36 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1qvx h ALA 996 Cb -0.14 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qvx h ALA 996 CO -0.08 -0.60 -0.39 1.05 0.00 0.00 0.00 179.25 179.23 1qvx h GLU 997 N -0.19 0.00 -0.19 0.00 4.11 -1.31 -1.58 114.58 115.43 1qvx h GLU 997 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.48 1qvx h GLU 997 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1qvx h GLU 997 CO -0.05 0.39 -0.01 1.25 0.07 0.00 0.00 179.01 180.66 1qvx h LEU 998 N 0.00 -0.09 -0.82 3.06 5.85 0.23 0.71 115.31 124.25 1qvx h LEU 998 Ca -0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 998 Cb 0.73 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1qvx h LEU 998 CO 0.05 -0.02 -0.32 0.16 -0.34 0.00 0.00 178.44 177.97 1qvx h ILE 999 N 0.05 0.70 -0.01 4.05 3.07 -0.79 -0.96 117.51 123.62 1qvx h ILE 999 Ca 0.09 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1qvx h ILE 999 Cb 0.11 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1qvx h ILE 999 CO -0.16 0.31 -0.04 0.59 -1.05 0.00 0.00 178.15 177.81 1qvx n ASN 1000N -3.40 0.99 0.09 2.16 3.02 -0.62 -1.81 115.26 115.69 1qvx n ASN 1000Ca 0.00 -1.21 -0.20 0.00 -0.03 0.00 0.00 54.58 53.15 1qvx n ASN 1000Cb 0.52 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.49 0.35 -0.11 3.52 3.64 0.18 0.44 116.57 126.08 1qvx h LYS 1001Ca 0.00 -0.59 -0.21 0.00 -1.27 0.00 0.00 60.65 58.58 1qvx h LYS 1001Cb 0.37 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1qvx h LYS 1001CO 0.00 1.25 -0.77 0.00 -2.27 0.00 0.00 179.45 177.66 1qvx h MET 1002N 0.09 0.61 0.50 1.90 -0.00 -1.47 0.39 114.93 116.96 1qvx h MET 1002Ca -0.25 -0.51 -0.01 0.00 -0.00 0.00 0.00 59.70 58.93 1qvx h MET 1002Cb 2.06 0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 33.75 1qvx h MET 1002CO 0.20 1.13 -0.41 -0.22 -0.00 0.00 0.00 176.91 177.61 1qvx h LYS 1003N 0.41 -0.86 0.17 -0.10 1.63 -1.43 -1.27 116.57 115.13 1qvx h LYS 1003Ca -0.05 0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1qvx h LYS 1003Cb 1.37 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 33.17 1qvx h LYS 1003CO 0.15 -0.57 -0.30 1.25 -3.45 0.00 0.00 179.45 176.52 1qvx h LEU 1004N -0.89 -0.84 -0.36 5.20 5.85 -0.02 0.73 115.31 124.97 1qvx h LEU 1004Ca -0.05 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1qvx h LEU 1004Cb 0.77 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1qvx h LEU 1004CO -0.01 -0.40 0.15 0.00 -0.34 0.00 0.00 178.44 177.83 1qvx h ALA 1005N 0.10 0.43 0.00 1.25 0.00 -0.23 0.14 119.26 120.95 1qvx h ALA 1005Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qvx h ALA 1005Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qvx h ALA 1005CO -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1qvx n GLN 1006N -4.99 0.17 0.08 0.00 -0.00 -0.48 -0.83 117.38 111.32 1qvx n GLN 1006Ca 0.01 0.22 -0.10 0.00 -0.00 0.00 0.00 57.00 57.13 1qvx n GLN 1006Cb 0.12 -1.73 -0.12 0.00 -0.00 0.00 0.00 30.24 28.51 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1qvx h GLN 1007N 0.00 0.09 -0.06 2.61 5.75 0.28 -3.31 115.11 120.47 1qvx h GLN 1007Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1qvx h GLN 1007Cb 0.55 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1qvx h GLN 1007CO 0.00 1.06 0.00 0.98 -2.65 0.00 0.00 178.83 178.22 1qvx n TYR 1008N -3.42 0.17 -1.55 3.99 9.36 0.26 -4.98 117.16 121.00 1qvx n TYR 1008Ca -0.03 -0.86 -0.25 0.00 3.32 0.00 0.00 57.90 60.09 1qvx n TYR 1008Cb 0.96 -0.15 -0.07 0.00 -0.63 0.00 0.00 39.34 39.45 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 -1.00 -0.04 -2.33 2.97 3.14 -0.01 -4.30 118.33 116.76 1qvx n VAL 1009Ca 0.13 -0.61 -0.27 0.00 -2.96 0.00 0.00 64.34 60.63 1qvx n VAL 1009Cb 0.59 -2.15 0.01 0.00 -1.06 0.00 0.00 33.84 31.23 1qvx n VAL 1009CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1qvx n MET 1010N 8.69 3.41 0.00 1.45 0.00 -1.26 -4.94 117.12 124.47 1qvx n MET 1010Ca 0.45 -4.35 0.00 0.00 0.00 0.00 0.00 57.70 53.80 1qvx n MET 1010Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1qvx n THR 1011N -0.54 0.00 0.02 1.12 -1.04 -1.26 -1.74 114.28 110.83 1qvx n THR 1011Ca 0.41 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.33 1qvx n THR 1011Cb 0.69 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.07 1qvx n THR 1011CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1qvx h SER 1012N 0.00 0.05 0.78 8.00 0.02 -1.97 -3.27 113.55 117.16 1qvx h SER 1012Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1qvx h SER 1012Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1qvx h SER 1012CO 0.00 1.07 0.00 0.18 -1.14 0.00 0.00 176.83 176.94 1qvx n LEU 1013N -3.20 0.00 0.27 5.07 7.99 -0.71 -2.83 117.00 123.59 1qvx n LEU 1013Ca -0.11 0.45 0.16 0.00 -0.01 0.00 0.00 56.01 56.49 1qvx n LEU 1013Cb 1.01 -0.45 0.71 0.00 -0.11 0.00 0.00 43.42 44.58 1qvx n LEU 1013CO 0.46 -0.06 0.97 -0.61 -1.51 0.00 0.00 177.39 176.65 1qvx h GLN 1014N 0.00 0.00 -0.24 3.23 -0.00 -1.69 -3.08 115.11 113.34 1qvx h GLN 1014Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1qvx h GLN 1014Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1qvx h GLN 1014CO 0.00 0.07 0.13 0.37 0.00 0.00 0.00 178.83 179.39 1qvx h GLN 1015N 0.00 0.32 -0.87 1.69 4.15 -1.74 0.21 115.11 118.86 1qvx h GLN 1015Ca -0.00 -0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.61 1qvx h GLN 1015Cb 0.48 -0.07 -0.13 0.00 0.21 0.00 0.00 27.48 27.97 1qvx h GLN 1015CO 0.01 0.24 0.31 1.49 -1.93 0.00 0.00 178.83 178.94 1qvx h GLU 1016N 0.32 0.30 -0.00 1.69 4.81 -1.80 0.23 114.58 120.14 1qvx h GLU 1016Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1qvx h GLU 1016Cb 0.01 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1qvx h GLU 1016CO -0.01 0.20 -0.26 0.66 -0.73 0.00 0.00 179.01 178.87 1qvx n TYR 1017N -5.13 0.00 0.15 0.92 4.02 0.63 -2.48 117.16 115.28 1qvx n TYR 1017Ca 0.21 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.12 1qvx n TYR 1017Cb 0.64 -0.24 0.17 0.00 -0.02 0.00 0.00 39.34 39.89 1qvx n TYR 1017CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1qvx h LYS 1018N 0.44 0.00 0.28 -0.72 1.63 0.42 -0.27 116.57 118.35 1qvx h LYS 1018Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1qvx h LYS 1018Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1qvx h LYS 1018CO 0.00 0.50 -0.14 0.87 -3.45 0.00 0.00 179.45 177.24 1qvx h LYS 1019N 0.00 -0.37 -1.09 1.90 1.57 -0.70 -2.90 116.57 114.98 1qvx h LYS 1019Ca -0.01 0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.10 1qvx h LYS 1019Cb 1.17 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 1qvx h LYS 1019CO 0.07 -0.07 0.71 1.96 -0.57 0.00 0.00 179.45 181.55 1qvx h GLN 1020N -1.00 0.29 -0.49 3.15 7.50 -1.62 -0.53 115.11 122.41 1qvx h GLN 1020Ca -0.04 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.19 1qvx h GLN 1020Cb 0.46 -0.07 -0.08 0.00 0.05 0.00 0.00 27.48 27.84 1qvx h GLN 1020CO 0.06 0.19 -0.01 1.98 -1.50 0.00 0.00 178.83 179.56 1qvx h MET 1021N 0.30 0.10 0.20 1.46 1.85 -0.91 0.15 114.93 118.08 1qvx h MET 1021Ca 0.62 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.69 1qvx h MET 1021Cb 1.74 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.75 1qvx h MET 1021CO -0.28 0.07 -0.10 1.25 -0.40 0.00 0.00 176.91 177.45 1qvx h LEU 1022N 0.11 -0.23 -0.38 3.39 5.85 -0.91 -2.67 115.31 120.47 1qvx h LEU 1022Ca 0.25 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1qvx h LEU 1022Cb 0.37 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1qvx h LEU 1022CO -0.42 0.19 0.25 0.74 -0.34 0.00 0.00 178.44 178.87 1qvx h THR 1023N -0.69 1.10 -0.02 1.05 2.02 -1.23 -0.21 112.91 114.93 1qvx h THR 1023Ca -0.03 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.80 1qvx h THR 1023Cb 0.49 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1qvx h THR 1023CO 0.04 0.09 -0.76 0.00 0.37 0.00 0.00 175.52 175.26 1qvx h ALA 1024N 1.14 0.68 -0.02 6.16 0.00 -0.80 -0.90 119.26 125.52 1qvx h ALA 1024Ca 0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 1qvx h ALA 1024Cb -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qvx h ALA 1024CO -0.03 0.87 -0.94 0.00 0.00 0.00 0.00 179.25 179.14 1qvx h ALA 1025N 1.11 0.30 -0.01 0.00 0.00 -1.30 -2.62 119.26 116.74 1qvx h ALA 1025Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1qvx h ALA 1025Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1qvx h ALA 1025CO 0.11 0.75 -0.52 1.25 0.00 0.00 0.00 179.25 180.85 1qvx h HIS 1026N 0.32 0.03 -0.21 0.00 6.17 -0.93 -1.46 115.15 119.07 1qvx h HIS 1026Ca -0.09 -0.01 -0.12 0.00 0.71 0.00 0.00 60.37 60.86 1qvx h HIS 1026Cb 1.58 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 31.49 1qvx h HIS 1026CO 0.08 0.54 -0.38 0.00 0.71 0.00 0.00 177.93 178.88 1qvx h ALA 1027N 1.46 0.96 -0.57 5.26 0.00 -1.13 -1.95 119.26 123.29 1qvx h ALA 1027Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1qvx h ALA 1027Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1qvx h ALA 1027CO 0.07 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.37 1qvx h LEU 1028N 0.39 0.83 -1.65 0.00 6.46 -1.06 -1.81 115.31 118.47 1qvx h LEU 1028Ca 0.04 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1qvx h LEU 1028Cb 0.84 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1qvx h LEU 1028CO 0.07 0.81 0.42 0.00 -0.62 0.00 0.00 178.44 179.12 1qvx h ALA 1029N 1.05 2.06 -0.22 1.25 0.00 -0.85 0.35 119.26 122.90 1qvx h ALA 1029Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 1029Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qvx h ALA 1029CO -0.01 -0.21 -0.22 0.28 0.00 0.00 0.00 179.25 179.09 1qvx h VAL 1030N 0.39 1.25 -0.20 0.00 2.07 -0.59 0.14 116.25 119.31 1qvx h VAL 1030Ca 0.29 -1.16 -0.20 0.00 0.82 0.00 0.00 66.70 66.45 1qvx h VAL 1030Cb 0.62 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1qvx h VAL 1030CO -0.08 0.37 -0.66 -2.24 0.02 0.00 0.00 177.57 174.98 1qvx h ASP 1031N 0.36 0.86 -0.49 0.57 3.04 0.21 0.14 116.42 121.10 1qvx h ASP 1031Ca 0.06 -0.51 -0.01 0.00 -3.24 0.00 0.00 57.03 53.33 1qvx h ASP 1031Cb 0.60 -0.25 -0.02 0.00 -1.04 0.00 0.00 39.33 38.61 1qvx h ASP 1031CO 0.04 1.29 0.29 0.00 -2.04 0.00 0.00 179.24 178.82 1qvx h ALA 1032N 0.71 0.63 -0.61 4.15 0.00 -0.88 -1.21 119.26 122.06 1qvx h ALA 1032Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 1032Cb 1.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1qvx h ALA 1032CO 0.13 0.13 0.21 -0.22 0.00 0.00 0.00 179.25 179.50 1qvx h LYS 1033N 0.66 0.93 -0.17 0.00 3.64 -0.32 0.18 116.57 121.49 1qvx h LYS 1033Ca 0.18 -0.19 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1qvx h LYS 1033Cb 0.01 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1qvx h LYS 1033CO -0.03 0.82 -0.75 -0.97 -2.27 0.00 0.00 179.45 176.24 1qvx h ASN 1034N 0.86 0.96 0.55 4.20 -1.24 -0.65 -2.98 115.58 117.28 1qvx h ASN 1034Ca 0.20 -0.62 -0.16 0.00 0.71 0.00 0.00 56.30 56.43 1qvx h ASN 1034Cb 0.26 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1qvx h ASN 1034CO -0.01 1.42 -0.71 0.25 -1.29 0.00 0.00 177.43 177.09 1qvx h LEU 1035N 0.56 0.16 -1.13 0.34 5.85 -1.05 0.40 115.31 120.43 1qvx h LEU 1035Ca -0.05 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1qvx h LEU 1035Cb 1.38 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1qvx h LEU 1035CO 0.16 0.81 0.26 0.17 -0.34 0.00 0.00 178.44 179.50 1qvx h LEU 1036N 0.09 0.79 -0.10 2.25 8.10 -0.66 0.57 115.31 126.35 1qvx h LEU 1036Ca -0.02 -0.09 -0.24 0.00 0.11 0.00 0.00 57.88 57.64 1qvx h LEU 1036Cb 1.26 -0.20 0.01 0.00 -0.44 0.00 0.00 40.66 41.28 1qvx h LEU 1036CO 0.10 0.69 -0.97 -0.78 -4.11 0.00 0.00 178.44 173.37 1qvx h ASP 1037N 0.86 0.73 0.31 0.17 3.58 -1.32 0.23 116.42 120.98 1qvx h ASP 1037Ca 0.21 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1qvx h ASP 1037Cb 0.14 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1qvx h ASP 1037CO -0.02 1.37 -0.48 0.58 -2.88 0.00 0.00 179.24 177.81 1qvx h VAL 1038N 0.33 0.06 0.00 2.25 2.07 0.99 0.28 116.25 122.23 1qvx h VAL 1038Ca -0.10 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 1qvx h VAL 1038Cb 1.61 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1qvx h VAL 1038CO 0.18 0.00 -0.97 0.16 0.02 0.00 0.00 177.57 176.96 1qvx h ILE 1039N -0.84 0.58 -0.87 4.57 3.07 0.03 0.57 117.51 124.61 1qvx h ILE 1039Ca -0.03 -1.95 -0.01 0.00 1.55 0.00 0.00 64.86 64.42 1qvx h ILE 1039Cb 0.79 2.13 -0.04 0.00 -0.27 0.00 0.00 36.82 39.43 1qvx h ILE 1039CO -0.16 0.33 0.51 -0.78 -1.05 0.00 0.00 178.15 176.99 1qvx h ASP 1040N 0.00 1.06 -0.05 2.16 3.58 -0.56 0.41 116.42 123.02 1qvx h ASP 1040Ca -0.08 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.19 1qvx h ASP 1040Cb 1.43 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 1qvx h ASP 1040CO 0.05 0.83 -0.31 1.56 -2.88 0.00 0.00 179.24 178.48 1qvx h GLN 1041N 1.21 0.51 -0.29 0.28 4.20 0.04 -2.65 115.11 118.41 1qvx h GLN 1041Ca 0.31 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1qvx h GLN 1041Cb -0.02 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1qvx h GLN 1041CO -0.06 0.77 -0.03 0.00 -0.67 0.00 0.00 178.83 178.85 1qvx h ALA 1042N 1.22 0.23 -0.95 3.87 0.00 0.12 1.62 119.26 125.38 1qvx h ALA 1042Ca 0.05 0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.31 1qvx h ALA 1042Cb 0.76 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 1qvx h ALA 1042CO 0.06 -0.43 0.48 -0.09 0.00 0.00 0.00 179.25 179.27 1qvx h ARG 1043N 0.05 0.42 0.06 0.00 1.12 -0.04 0.18 114.38 116.18 1qvx h ARG 1043Ca 0.14 -0.03 -0.24 0.00 -1.11 0.00 0.00 59.98 58.74 1qvx h ARG 1043Cb 0.20 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 1qvx h ARG 1043CO -0.26 0.28 -1.12 1.25 -3.11 0.00 0.00 179.97 177.01 1qvx h LEU 1044N 0.43 0.21 -0.63 3.80 5.85 -0.56 -2.99 115.31 121.42 1qvx h LEU 1044Ca 0.62 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1qvx h LEU 1044Cb 1.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1qvx h LEU 1044CO -0.53 1.17 0.26 0.11 -0.34 0.00 0.00 178.44 179.11 1qvx h LYS 1045N 0.04 0.94 -0.16 1.25 1.79 0.43 1.13 116.57 121.99 1qvx h LYS 1045Ca -0.07 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 58.12 1qvx h LYS 1045Cb 1.87 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.35 1qvx h LYS 1045CO 0.17 0.79 -0.40 1.98 -1.08 0.00 0.00 179.45 180.90 1qvx h MET 1046N 0.89 0.36 -0.33 3.15 4.05 -0.81 -1.45 114.93 120.78 1qvx h MET 1046Ca 0.21 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.33 1qvx h MET 1046Cb 0.19 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1qvx h MET 1046CO -0.02 0.71 -0.29 0.82 0.23 0.00 0.00 176.91 178.35 1qvx h ILE 1047N 0.30 1.29 -0.45 1.77 1.08 -1.24 0.72 117.51 120.98 1qvx h ILE 1047Ca 0.03 -1.46 0.13 0.00 -0.39 0.00 0.00 64.86 63.17 1qvx h ILE 1047Cb 0.84 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 1qvx h ILE 1047CO 0.07 0.47 0.38 0.28 -0.69 0.00 0.00 178.15 178.66 1qvx h SER 1048N 0.55 0.00 0.06 1.72 0.02 0.18 0.42 113.55 116.50 1qvx h SER 1048Ca 0.06 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.73 1qvx h SER 1048Cb 0.87 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1qvx h SER 1048CO 0.07 0.00 -1.52 -0.61 -1.14 0.00 0.00 176.83 173.64 1qvx h GLN 1049N 0.00 0.12 -0.75 3.45 -0.00 -0.97 -3.38 115.11 113.59 1qvx h GLN 1049Ca 0.21 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1qvx h GLN 1049Cb 0.97 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.49 1qvx h GLN 1049CO -0.00 1.10 0.42 0.77 0.00 0.00 0.00 178.83 181.12 1qvx h SER 1050N -0.56 0.91 -3.16 -0.69 0.02 -0.37 -3.38 113.55 106.31 1qvx h SER 1050Ca -0.37 -0.06 -0.57 0.00 -0.84 0.00 0.00 61.79 59.94 1qvx h SER 1050Cb 1.60 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.85 1qvx h SER 1050CO -0.08 0.72 0.69 -0.13 -1.14 0.00 0.00 176.83 176.89 1qvx s ARG 1051N -5.72 4.31 0.00 3.45 0.52 0.14 -4.92 118.95 116.74 1qvx s ARG 1051Ca -0.11 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 56.42 1qvx s ARG 1051Cb 0.17 -3.60 -0.07 0.00 0.52 0.00 0.00 34.95 31.97 1qvx s ARG 1051CO 0.80 -0.50 1.74 -2.30 0.02 0.00 0.00 175.30 175.06 1qvx n PRO 1052N 5.80 0.88 -0.65 3.54 -0.02 -1.26 -4.77 135.00 138.52 1qvx n PRO 1052Ca 0.10 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1qvx n PRO 1052Cb 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1qvx n PRO 1052CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20