#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 -5.70 -4.13 6.15 7.64 -1.26 -2.45 113.62 113.86 1qvx n SER 921 Ca 0.00 0.27 -0.32 0.00 1.01 0.00 0.00 58.87 59.83 1qvx n SER 921 Cb 0.00 -4.18 -0.05 0.00 -1.01 0.00 0.00 64.21 58.97 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 -1.17 -0.73 -3.30 6.43 4.13 -1.26 -4.92 115.26 114.44 1qvx n ASN 922 Ca -0.11 -1.19 -0.05 0.00 1.68 0.00 0.00 54.58 54.91 1qvx n ASN 922 Cb 0.59 -2.13 0.05 0.00 -1.54 0.00 0.00 39.78 36.75 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 -2.77 -1.74 -0.16 6.41 2.03 -1.03 -3.47 116.55 115.83 1qvx n ASP 923 Ca -0.27 -0.15 0.20 0.00 0.52 0.00 0.00 54.79 55.09 1qvx n ASP 923 Cb 0.66 -0.35 0.31 0.00 -0.72 0.00 0.00 41.12 41.03 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1qvx n LYS 924 N -0.27 0.01 -0.00 -0.67 0.00 -1.26 0.65 118.16 116.62 1qvx n LYS 924 Ca 0.02 0.73 -0.10 0.00 0.00 0.00 0.00 58.31 58.97 1qvx n LYS 924 Cb 0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 35.03 33.27 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 0.77 0.04 3.15 -1.51 -1.86 0.36 116.25 117.19 1qvx h VAL 925 Ca 0.36 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.59 1qvx h VAL 925 Cb 2.12 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 1qvx h VAL 925 CO -0.00 0.00 -1.02 0.22 -1.23 0.00 0.00 177.57 175.54 1qvx h TYR 926 N -0.07 0.56 0.36 5.19 5.03 0.19 -3.14 116.97 125.08 1qvx h TYR 926 Ca 0.07 -0.33 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 1qvx h TYR 926 Cb 0.18 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1qvx h TYR 926 CO -0.20 1.17 -0.17 1.49 -1.32 0.00 0.00 178.16 179.13 1qvx h GLU 927 N 0.18 -0.47 -0.34 1.82 4.81 -1.34 -1.89 114.58 117.35 1qvx h GLU 927 Ca -0.09 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1qvx h GLU 927 Cb 1.67 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 1qvx h GLU 927 CO 0.17 -0.29 0.06 -0.97 -0.73 0.00 0.00 179.01 177.25 1qvx h ASN 928 N -0.52 0.54 -0.44 1.04 -0.73 -0.36 -0.62 115.58 114.50 1qvx h ASN 928 Ca -0.05 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 1qvx h ASN 928 Cb 0.39 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 1qvx h ASN 928 CO 0.08 0.66 0.25 0.58 -0.37 0.00 0.00 177.43 178.64 1qvx h VAL 929 N 0.40 1.14 -0.91 2.57 2.07 -1.55 0.23 116.25 120.20 1qvx h VAL 929 Ca 0.10 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1qvx h VAL 929 Cb 0.35 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1qvx h VAL 929 CO 0.01 0.16 0.56 0.74 0.02 0.00 0.00 177.57 179.05 1qvx h THR 930 N 0.64 1.25 -0.36 2.57 2.02 -0.66 -0.96 112.91 117.40 1qvx h THR 930 Ca 0.16 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.86 1qvx h THR 930 Cb 0.02 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1qvx h THR 930 CO -0.03 0.25 0.24 1.23 0.37 0.00 0.00 175.52 177.59 1qvx h GLY 931 N 1.25 0.39 1.56 2.16 0.00 0.94 0.41 103.07 109.78 1qvx h GLY 931 Ca 0.33 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 1qvx h GLY 931 CO -0.06 0.11 -0.33 -2.00 0.00 0.00 0.00 176.54 174.26 1qvx h LEU 932 N 0.33 0.52 -0.44 3.11 5.85 0.21 0.16 115.31 125.05 1qvx h LEU 932 Ca 0.15 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 1qvx h LEU 932 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1qvx h LEU 932 CO -0.03 0.82 -0.46 0.58 -0.34 0.00 0.00 178.44 179.01 1qvx h VAL 933 N 0.43 1.29 0.00 1.05 2.07 -0.65 -2.77 116.25 117.66 1qvx h VAL 933 Ca 0.05 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1qvx h VAL 933 Cb 0.78 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1qvx h VAL 933 CO 0.06 0.53 -0.11 0.11 0.02 0.00 0.00 177.57 178.18 1qvx h LYS 934 N 0.63 0.00 0.00 1.57 1.79 0.30 -1.94 116.57 118.93 1qvx h LYS 934 Ca 0.04 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 1qvx h LYS 934 Cb 1.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 1qvx h LYS 934 CO 0.10 0.11 -0.77 0.00 -1.08 0.00 0.00 179.45 177.82 1qvx h ALA 935 N 1.89 0.73 0.00 3.86 0.00 -0.42 0.12 119.26 125.44 1qvx h ALA 935 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1qvx h ALA 935 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 935 CO 0.01 0.96 0.00 1.55 0.00 0.00 0.00 179.25 181.77 1qvx n VAL 936 N -3.62 0.47 -0.03 0.00 3.14 -0.80 -0.86 118.33 116.64 1qvx n VAL 936 Ca -0.01 -0.21 -0.16 0.00 -2.96 0.00 0.00 64.34 61.00 1qvx n VAL 936 Cb 0.74 -0.58 -0.08 0.00 -1.06 0.00 0.00 33.84 32.86 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 -0.88 1.55 1.08 -0.68 -2.29 117.51 117.63 1qvx h ILE 937 Ca 0.00 -1.86 0.14 0.00 -0.39 0.00 0.00 64.86 62.75 1qvx h ILE 937 Cb 0.67 2.12 -0.09 0.00 -3.07 0.00 0.00 36.82 36.45 1qvx h ILE 937 CO 0.00 0.57 0.48 -0.33 -0.69 0.00 0.00 178.15 178.18 1qvx h GLU 938 N 0.25 0.68 -0.91 2.37 4.39 -0.18 -0.39 114.58 120.79 1qvx h GLU 938 Ca -0.04 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1qvx h GLU 938 Cb 1.22 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 1qvx h GLU 938 CO 0.12 0.45 0.59 1.98 -1.16 0.00 0.00 179.01 180.99 1qvx h MET 939 N 0.70 1.14 -0.43 2.33 1.85 -0.86 0.45 114.93 120.09 1qvx h MET 939 Ca 0.48 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 59.41 1qvx h MET 939 Cb 0.64 -0.26 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 1qvx h MET 939 CO -0.34 0.75 -0.09 0.77 -0.40 0.00 0.00 176.91 177.59 1qvx h SER 940 N 1.17 0.75 0.11 1.39 0.02 -0.54 0.49 113.55 116.93 1qvx h SER 940 Ca 0.35 -0.22 -0.29 0.00 -0.84 0.00 0.00 61.79 60.80 1qvx h SER 940 Cb -0.04 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.32 1qvx h SER 940 CO -0.10 0.88 -1.19 0.28 -1.14 0.00 0.00 176.83 175.55 1qvx h SER 941 N 0.70 0.86 -0.82 3.07 0.02 -0.42 -2.94 113.55 114.02 1qvx h SER 941 Ca 0.12 -0.82 -0.04 0.00 -0.84 0.00 0.00 61.79 60.21 1qvx h SER 941 Cb 0.57 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1qvx h SER 941 CO 0.03 1.59 0.35 0.11 -1.14 0.00 0.00 176.83 177.78 1qvx h LYS 942 N 0.25 1.21 0.00 3.45 1.79 -0.02 -2.46 116.57 120.79 1qvx h LYS 942 Ca -0.18 -0.21 -0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1qvx h LYS 942 Cb 1.87 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1qvx h LYS 942 CO 0.23 0.96 -0.22 0.97 -1.08 0.00 0.00 179.45 180.31 1qvx h ILE 943 N 1.19 0.48 -0.04 1.86 6.09 -0.92 -2.60 117.51 123.57 1qvx h ILE 943 Ca 0.28 -1.24 0.04 0.00 -1.37 0.00 0.00 64.86 62.56 1qvx h ILE 943 Cb 0.19 1.89 -0.05 0.00 0.47 0.00 0.00 36.82 39.31 1qvx h ILE 943 CO -0.03 0.22 -0.26 1.56 -3.07 0.00 0.00 178.15 176.57 1qvx h GLN 944 N 0.00 -0.37 -0.63 2.19 4.20 -1.25 -2.40 115.11 116.86 1qvx h GLN 944 Ca -0.00 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1qvx h GLN 944 Cb 0.87 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 1qvx h GLN 944 CO 0.03 -0.24 0.10 -0.35 -0.67 0.00 0.00 178.83 177.70 1qvx n PRO 945 N -5.38 4.42 -3.17 1.46 -0.04 -1.23 -5.00 135.00 126.06 1qvx n PRO 945 Ca -0.04 -3.14 -0.39 0.00 -0.04 0.00 0.00 63.50 59.89 1qvx n PRO 945 Cb 0.29 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 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 -2.87 3.43 0.89 0.55 0.00 -0.90 -5.02 121.76 117.84 1qvx s ALA 946 Ca 0.55 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1qvx s ALA 946 Cb 0.43 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.90 1qvx s ALA 946 CO 0.15 -0.16 1.21 -1.25 0.00 0.00 0.00 175.76 175.71 1qvx s PRO 947 N 0.97 0.90 0.43 0.00 0.05 -1.26 -4.87 135.00 131.22 1qvx s PRO 947 Ca 0.31 -0.78 0.20 0.00 0.05 0.00 0.00 61.00 60.78 1qvx s PRO 947 Cb -0.16 -2.03 1.15 0.00 0.05 0.00 0.00 34.50 33.51 1qvx s PRO 947 CO 0.13 -2.13 1.83 -1.00 0.05 0.00 0.00 177.00 175.88 1qvx h PRO 948 N -1.26 0.33 -0.87 0.56 0.13 -1.98 0.21 132.00 129.13 1qvx h PRO 948 Ca -0.40 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1qvx h PRO 948 Cb 1.24 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1qvx h PRO 948 CO 0.35 0.22 0.56 0.93 -0.23 0.00 0.00 178.00 179.84 1qvx h GLU 949 N 0.34 0.78 -0.01 0.86 4.39 -1.96 -0.70 114.58 118.29 1qvx h GLU 949 Ca 0.51 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1qvx h GLU 949 Cb 1.37 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1qvx h GLU 949 CO -0.19 0.51 -0.46 0.39 -1.16 0.00 0.00 179.01 178.11 1qvx n GLU 950 N -4.53 0.93 -0.30 2.33 4.71 0.63 -4.01 120.64 120.41 1qvx n GLU 950 Ca 0.15 -0.71 -0.01 0.00 -0.01 0.00 0.00 57.16 56.59 1qvx n GLU 950 Cb 0.35 -1.49 0.12 0.00 -1.01 0.00 0.00 31.44 29.41 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 1.73 0.95 0.08 -0.32 -1.99 -0.04 0.31 116.97 117.68 1qvx h TYR 951 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1qvx h TYR 951 Cb 0.64 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1qvx h TYR 951 CO 0.00 0.51 -0.04 -0.24 -0.00 0.00 0.00 178.16 178.39 1qvx h VAL 952 N 0.96 1.18 -0.94 -2.88 3.04 -1.69 -3.19 116.25 112.73 1qvx h VAL 952 Ca 0.35 -1.23 0.18 0.00 -1.01 0.00 0.00 66.70 64.98 1qvx h VAL 952 Cb 0.11 1.94 -0.10 0.00 -2.01 0.00 0.00 31.29 31.22 1qvx h VAL 952 CO -0.15 0.29 0.54 -0.65 -1.01 0.00 0.00 177.57 176.59 1qvx h PRO 953 N -0.70 0.68 0.01 4.17 0.11 -1.67 0.48 132.00 135.08 1qvx h PRO 953 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 953 Cb 0.56 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1qvx h PRO 953 CO 0.02 0.45 -0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1qvx h MET 954 N 0.70 -0.01 0.00 1.05 -0.00 -1.01 0.55 114.93 116.21 1qvx h MET 954 Ca 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 60.21 1qvx h MET 954 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1qvx h MET 954 CO -0.38 0.00 -0.12 0.28 -0.00 0.00 0.00 176.91 176.69 1qvx h VAL 955 N -0.02 0.77 -0.14 -0.10 2.07 -1.46 -1.45 116.25 115.92 1qvx h VAL 955 Ca -0.00 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1qvx h VAL 955 Cb 0.02 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1qvx h VAL 955 CO 0.00 0.12 -0.15 0.50 0.02 0.00 0.00 177.57 178.06 1qvx h LYS 956 N 0.00 0.22 -0.45 1.57 3.64 0.11 -1.89 116.57 119.79 1qvx h LYS 956 Ca -0.00 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1qvx h LYS 956 Cb 0.27 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1qvx h LYS 956 CO 0.02 0.38 0.16 0.93 -2.27 0.00 0.00 179.45 178.67 1qvx h GLU 957 N 0.21 0.32 0.00 1.90 4.39 0.12 0.30 114.58 121.82 1qvx h GLU 957 Ca 0.04 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 957 Cb 0.41 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1qvx h GLU 957 CO 0.02 0.21 -0.27 -0.39 -1.16 0.00 0.00 179.01 177.43 1qvx h VAL 958 N 0.33 0.82 -0.03 3.13 -1.51 -1.37 -2.55 116.25 115.08 1qvx h VAL 958 Ca 0.21 -1.09 -0.15 0.00 -1.23 0.00 0.00 66.70 64.44 1qvx h VAL 958 Cb 0.20 1.66 0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1qvx h VAL 958 CO -0.21 0.27 -0.57 1.23 -1.23 0.00 0.00 177.57 177.06 1qvx h GLY 959 N 1.46 0.48 1.94 5.19 0.00 -0.64 -2.78 103.07 108.72 1qvx h GLY 959 Ca -0.00 -0.80 0.01 0.00 0.00 0.00 0.00 47.33 46.54 1qvx h GLY 959 CO 0.04 0.70 0.02 1.41 0.00 0.00 0.00 176.54 178.71 1qvx h LEU 960 N -0.05 0.00 0.25 3.11 3.38 -0.96 -1.91 115.31 119.13 1qvx h LEU 960 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1qvx h LEU 960 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1qvx h LEU 960 CO 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.52 1qvx h ALA 961 N 1.97 -0.34 -0.68 1.53 0.00 -1.21 0.29 119.26 120.82 1qvx h ALA 961 Ca 0.01 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1qvx h ALA 961 Cb 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1qvx h ALA 961 CO -0.00 -0.61 0.28 1.25 0.00 0.00 0.00 179.25 180.17 1qvx h LEU 962 N -0.50 0.29 0.22 0.00 5.85 -1.12 0.47 115.31 120.51 1qvx h LEU 962 Ca -0.03 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 962 Cb 0.38 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1qvx h LEU 962 CO 0.06 0.15 -0.27 0.03 -0.34 0.00 0.00 178.44 178.07 1qvx h ARG 963 N 0.46 -0.52 -0.78 1.25 2.47 -1.15 0.53 114.38 116.64 1qvx h ARG 963 Ca 0.35 0.04 0.11 0.00 -1.26 0.00 0.00 59.98 59.22 1qvx h ARG 963 Cb 0.45 0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.81 1qvx h ARG 963 CO -0.33 -0.35 0.40 1.15 0.56 0.00 0.00 179.97 181.41 1qvx h THR 964 N -0.54 0.81 -0.63 2.04 2.02 -0.00 -1.18 112.91 115.43 1qvx h THR 964 Ca 0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1qvx h THR 964 Cb 0.52 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1qvx h THR 964 CO -0.09 0.12 0.30 0.25 0.37 0.00 0.00 175.52 176.46 1qvx h LEU 965 N 0.64 0.80 -1.35 2.58 5.85 0.69 -1.94 115.31 122.58 1qvx h LEU 965 Ca 0.40 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.21 1qvx h LEU 965 Cb 0.47 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1qvx h LEU 965 CO -0.30 0.69 0.58 0.25 -0.34 0.00 0.00 178.44 179.32 1qvx h LEU 966 N 0.89 0.57 -0.44 2.25 5.85 0.13 0.77 115.31 125.33 1qvx h LEU 966 Ca 0.22 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1qvx h LEU 966 Cb 0.10 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1qvx h LEU 966 CO -0.03 0.25 0.22 0.00 -0.34 0.00 0.00 178.44 178.55 1qvx h ALA 967 N 1.61 0.56 -0.24 1.25 0.00 -1.24 -1.45 119.26 119.75 1qvx h ALA 967 Ca 0.47 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1qvx h ALA 967 Cb 0.92 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qvx h ALA 967 CO -0.21 0.10 -0.20 1.15 0.00 0.00 0.00 179.25 180.09 1qvx h THR 968 N 0.56 1.25 -0.57 0.00 2.02 -0.71 -1.65 112.91 113.81 1qvx h THR 968 Ca 0.15 -1.14 0.13 0.00 0.77 0.00 0.00 66.41 66.32 1qvx h THR 968 Cb 0.09 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1qvx h THR 968 CO -0.02 0.36 0.39 0.58 0.37 0.00 0.00 175.52 177.20 1qvx h VAL 969 N 0.39 0.80 0.00 3.16 2.07 0.10 0.13 116.25 122.90 1qvx h VAL 969 Ca 0.07 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1qvx h VAL 969 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1qvx h VAL 969 CO 0.04 0.03 -0.23 -0.78 0.02 0.00 0.00 177.57 176.65 1qvx h ASP 970 N 0.18 0.00 0.04 0.57 3.58 -0.31 0.49 116.42 120.98 1qvx h ASP 970 Ca 0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1qvx h ASP 970 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1qvx h ASP 970 CO -0.04 0.23 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.20 1qvx h GLU 971 N 0.00 -0.06 0.00 0.28 4.39 -0.58 -3.14 114.58 115.47 1qvx h GLU 971 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 971 Cb 1.01 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1qvx h GLU 971 CO 0.03 0.38 -0.14 1.03 -1.16 0.00 0.00 179.01 179.15 1qvx h SER 972 N -0.51 0.00 -0.11 1.42 0.87 -0.93 -3.24 113.55 111.06 1qvx h SER 972 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1qvx h SER 972 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1qvx h SER 972 CO 0.01 0.14 0.06 0.25 -0.53 0.00 0.00 176.83 176.76 1qvx h LEU 973 N 0.00 0.13 -2.03 2.23 5.85 0.04 0.56 115.31 122.10 1qvx h LEU 973 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 973 Cb 0.38 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1qvx h LEU 973 CO 0.02 0.15 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.55 1qvx h PRO 974 N 0.10 0.00 0.00 5.25 0.11 -1.65 0.82 132.00 136.63 1qvx h PRO 974 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1qvx h PRO 974 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1qvx h PRO 974 CO -0.01 0.06 0.00 0.28 -0.21 0.00 0.00 178.00 178.13 1qvx n VAL 975 N -4.17 0.34 0.11 3.15 0.31 -0.04 -3.20 118.33 114.83 1qvx n VAL 975 Ca -0.03 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1qvx n VAL 975 Cb 0.15 -0.66 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 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 -0.26 -2.20 7.52 6.46 0.26 0.32 115.31 127.41 1qvx h LEU 976 Ca 0.00 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1qvx h LEU 976 Cb 0.43 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1qvx h LEU 976 CO 0.00 0.14 -0.06 -0.65 -0.62 0.00 0.00 178.44 177.24 1qvx h PRO 977 N -0.71 0.00 0.54 5.25 0.11 -1.61 -1.65 132.00 133.92 1qvx h PRO 977 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1qvx h PRO 977 Cb 0.49 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.60 1qvx h PRO 977 CO 0.05 0.06 -0.26 0.00 -0.21 0.00 0.00 178.00 177.65 1qvx h ALA 978 N 1.94 -0.73 0.00 -0.75 0.00 -1.48 -3.47 119.26 114.77 1qvx h ALA 978 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 978 Cb 0.19 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qvx h ALA 978 CO 0.01 -0.79 0.00 0.43 0.00 0.00 0.00 179.25 178.89 1qvx n SER 979 N -5.32 0.00 0.32 0.00 7.64 0.15 -4.80 113.62 111.61 1qvx n SER 979 Ca -0.11 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.93 1qvx n SER 979 Cb 0.33 0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.41 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 -0.01 0.44 2.02 -0.43 -3.16 112.91 111.77 1qvx h THR 980 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qvx h THR 980 Cb 0.00 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1qvx h THR 980 CO 0.00 0.00 0.58 -0.74 0.37 0.00 0.00 175.52 175.73 1qvx h HIS 981 N 0.00 0.00 0.07 3.16 2.76 -1.51 -0.06 115.15 119.57 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1qvx h HIS 981 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1qvx h HIS 981 CO 0.00 0.00 -0.04 -0.09 -1.30 0.00 0.00 177.93 176.50 1qvx h ARG 982 N 0.00 -0.09 0.15 5.26 2.43 -1.85 -3.36 114.38 116.91 1qvx h ARG 982 Ca 0.01 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1qvx h ARG 982 Cb 1.16 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1qvx h ARG 982 CO -0.00 0.33 -0.90 0.93 -1.51 0.00 0.00 179.97 178.82 1qvx h GLU 983 N -0.97 0.35 -0.88 0.20 5.08 -1.46 -3.16 114.58 113.75 1qvx h GLU 983 Ca -0.01 -0.58 0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1qvx h GLU 983 Cb 0.47 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1qvx h GLU 983 CO 0.02 1.27 0.57 0.97 -1.00 0.00 0.00 179.01 180.83 1qvx h ILE 984 N -0.26 0.97 -0.01 3.13 6.09 -1.28 0.51 117.51 126.66 1qvx h ILE 984 Ca -0.15 -0.30 -0.25 0.00 -1.37 0.00 0.00 64.86 62.79 1qvx h ILE 984 Cb 1.70 0.03 0.02 0.00 0.47 0.00 0.00 36.82 39.03 1qvx h ILE 984 CO 0.17 0.16 -0.96 1.05 -3.07 0.00 0.00 178.15 175.50 1qvx h GLU 985 N 0.86 0.66 0.01 2.19 4.11 -1.71 -2.59 114.58 118.13 1qvx h GLU 985 Ca 0.41 -0.70 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1qvx h GLU 985 Cb 0.41 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1qvx h GLU 985 CO -0.17 1.29 -0.01 0.00 0.07 0.00 0.00 179.01 180.19 1qvx h MET 986 N 0.32 -0.02 0.05 1.06 -0.00 -0.91 -1.34 114.93 114.09 1qvx h MET 986 Ca -0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.36 1qvx h MET 986 Cb 1.62 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.21 1qvx h MET 986 CO 0.19 0.05 -1.04 0.00 -0.00 0.00 0.00 176.91 176.11 1qvx h ALA 987 N 0.90 0.32 0.03 -3.00 0.00 -1.40 -1.79 119.26 114.32 1qvx h ALA 987 Ca -0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1qvx h ALA 987 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1qvx h ALA 987 CO 0.00 1.04 -0.01 0.37 0.00 0.00 0.00 179.25 180.65 1qvx h GLN 988 N 0.06 -0.04 -0.14 0.00 4.15 -1.32 0.81 115.11 118.64 1qvx h GLN 988 Ca -0.06 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1qvx h GLN 988 Cb 1.75 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1qvx h GLN 988 CO 0.16 0.09 -0.18 0.87 -1.93 0.00 0.00 178.83 177.83 1qvx h LYS 989 N -0.16 0.23 0.85 1.69 1.57 -1.33 0.75 116.57 120.18 1qvx h LYS 989 Ca -0.00 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1qvx h LYS 989 Cb 0.14 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1qvx h LYS 989 CO 0.01 0.41 -0.41 1.25 -0.57 0.00 0.00 179.45 180.14 1qvx h LEU 990 N 0.21 -0.97 -1.24 2.94 5.85 -0.55 -2.91 115.31 118.65 1qvx h LEU 990 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1qvx h LEU 990 Cb 0.45 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1qvx h LEU 990 CO 0.03 -0.66 0.00 0.17 -0.34 0.00 0.00 178.44 177.64 1qvx h LEU 991 N -1.20 0.00 -1.19 2.25 8.10 0.75 -0.93 115.31 123.10 1qvx h LEU 991 Ca -0.12 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.89 1qvx h LEU 991 Cb 0.88 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.06 1qvx h LEU 991 CO 0.19 0.00 0.55 -1.13 -4.11 0.00 0.00 178.44 173.94 1qvx h ASN 992 N 0.00 0.93 0.84 0.17 -1.24 -0.69 0.60 115.58 116.19 1qvx h ASN 992 Ca 0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 56.80 1qvx h ASN 992 Cb 0.52 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1qvx h ASN 992 CO 0.00 0.67 -0.90 0.28 -1.29 0.00 0.00 177.43 176.19 1qvx h SER 993 N 1.10 0.04 0.00 1.15 0.02 -0.98 -2.15 113.55 112.74 1qvx h SER 993 Ca 0.31 -0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.99 1qvx h SER 993 Cb -0.08 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1qvx h SER 993 CO -0.08 0.91 -2.07 0.47 -1.14 0.00 0.00 176.83 174.92 1qvx n ASP 994 N -3.51 0.84 0.15 3.07 8.00 -1.05 -2.59 116.55 121.47 1qvx n ASP 994 Ca -0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.62 1qvx n ASP 994 Cb 0.84 1.15 0.50 0.00 -0.02 0.00 0.00 41.12 43.59 1qvx n ASP 994 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1qvx h LEU 995 N 0.00 0.00 -0.36 0.64 4.07 0.04 -1.30 115.31 118.39 1qvx h LEU 995 Ca -0.34 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.50 1qvx h LEU 995 Cb 1.74 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 1qvx h LEU 995 CO 0.02 0.00 -0.24 0.00 -1.08 0.00 0.00 178.44 177.14 1qvx h ALA 996 N 2.25 0.52 -0.44 1.53 0.00 -1.41 -2.79 119.26 118.93 1qvx h ALA 996 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1qvx h ALA 996 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qvx h ALA 996 CO 0.00 0.50 0.30 0.93 0.00 0.00 0.00 179.25 180.98 1qvx h GLU 997 N 0.60 0.39 -0.64 0.00 4.39 -1.03 -0.37 114.58 117.91 1qvx h GLU 997 Ca 0.07 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1qvx h GLU 997 Cb 0.80 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1qvx h GLU 997 CO 0.07 0.26 0.42 1.37 -1.16 0.00 0.00 179.01 179.97 1qvx h LEU 998 N 0.40 0.61 -0.72 1.33 8.10 -1.00 1.09 115.31 125.13 1qvx h LEU 998 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.18 1qvx h LEU 998 Cb 0.24 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.29 1qvx h LEU 998 CO -0.05 0.41 0.47 0.40 -4.11 0.00 0.00 178.44 175.56 1qvx h ILE 999 N 0.71 1.19 0.00 0.15 5.03 -0.96 -1.12 117.51 122.51 1qvx h ILE 999 Ca 0.27 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1qvx h ILE 999 Cb 0.16 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 1qvx h ILE 999 CO -0.08 0.19 0.00 0.78 -0.68 0.00 0.00 178.15 178.36 1qvx h ASN 1000N 0.98 0.00 -0.31 1.72 2.35 -0.62 0.37 115.58 120.06 1qvx h ASN 1000Ca 0.26 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 1qvx h ASN 1000Cb -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1qvx h ASN 1000CO -0.05 0.00 -0.04 0.11 -1.65 0.00 0.00 177.43 175.79 1qvx h LYS 1001N 0.00 0.58 0.03 0.81 1.57 0.22 0.83 116.57 120.61 1qvx h LYS 1001Ca 0.00 -0.21 -0.24 0.00 -1.87 0.00 0.00 60.65 58.33 1qvx h LYS 1001Cb 0.86 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1qvx h LYS 1001CO 0.00 0.74 -1.02 0.00 -0.57 0.00 0.00 179.45 178.61 1qvx h MET 1002N 0.36 0.44 0.47 3.15 -0.00 -1.19 -3.12 114.93 115.04 1qvx h MET 1002Ca 0.08 -0.51 -0.02 0.00 -0.00 0.00 0.00 59.70 59.25 1qvx h MET 1002Cb 0.51 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1qvx h MET 1002CO 0.02 1.16 -0.23 -0.22 -0.00 0.00 0.00 176.91 177.65 1qvx h LYS 1003N 0.23 -0.61 -0.01 -0.10 1.63 -0.84 -3.06 116.57 113.81 1qvx h LYS 1003Ca -0.10 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1qvx h LYS 1003Cb 1.67 0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 33.38 1qvx h LYS 1003CO 0.18 -0.41 -0.36 1.25 -3.45 0.00 0.00 179.45 176.66 1qvx h LEU 1004N -0.91 -1.10 0.35 5.20 6.46 0.59 0.84 115.31 126.74 1qvx h LEU 1004Ca -0.06 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1qvx h LEU 1004Cb 0.49 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1qvx h LEU 1004CO 0.11 -0.42 -0.18 0.00 -0.62 0.00 0.00 178.44 177.33 1qvx h ALA 1005N 0.14 -0.48 0.00 1.25 0.00 -1.69 0.60 119.26 119.07 1qvx h ALA 1005Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1005Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qvx h ALA 1005CO -0.29 -0.77 0.00 -0.56 0.00 0.00 0.00 179.25 177.62 1qvx h GLN 1006N -0.49 0.00 0.13 0.00 -0.00 -1.38 -0.03 115.11 113.33 1qvx h GLN 1006Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.26 1qvx h GLN 1006Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 1qvx h GLN 1006CO 0.07 0.00 -1.86 0.37 -0.00 0.00 0.00 178.83 177.40 1qvx h GLN 1007N 0.00 0.27 -0.50 0.06 5.75 0.20 -3.35 115.11 117.54 1qvx h GLN 1007Ca 0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1qvx h GLN 1007Cb 0.36 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1qvx h GLN 1007CO 0.00 1.15 0.00 0.98 -2.65 0.00 0.00 178.83 178.31 1qvx n TYR 1008N -3.46 0.66 -1.64 3.99 9.36 0.20 -5.01 117.16 121.26 1qvx n TYR 1008Ca -0.27 -0.39 -0.62 0.00 3.32 0.00 0.00 57.90 59.94 1qvx n TYR 1008Cb 1.05 -0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 39.67 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 1.28 0.03 -2.87 2.97 3.14 -0.05 -4.87 118.33 117.97 1qvx n VAL 1009Ca 0.19 -0.01 -0.12 0.00 -2.96 0.00 0.00 64.34 61.45 1qvx n VAL 1009Cb 0.55 -0.42 0.05 0.00 -1.06 0.00 0.00 33.84 32.96 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 3.08 1.05 0.00 1.45 0.00 -1.26 -4.99 117.12 116.44 1qvx n MET 1010Ca 0.25 -2.56 0.00 0.00 0.00 0.00 0.00 57.70 55.39 1qvx n MET 1010Cb 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.13 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 0.13 0.00 0.11 1.12 -1.04 -1.26 -0.97 114.28 112.37 1qvx n THR 1011Ca 0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1qvx n THR 1011Cb 0.73 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.27 1qvx n THR 1011CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1qvx h SER 1012N 0.00 0.00 0.54 8.00 0.87 -2.01 -2.66 113.55 118.29 1qvx h SER 1012Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qvx h SER 1012Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1qvx h SER 1012CO 0.00 0.70 0.00 0.18 -0.53 0.00 0.00 176.83 177.18 1qvx n LEU 1013N -3.40 0.00 0.29 2.23 4.77 -0.14 -3.19 117.00 117.55 1qvx n LEU 1013Ca 0.00 0.29 0.15 0.00 -0.03 0.00 0.00 56.01 56.42 1qvx n LEU 1013Cb 0.77 -0.29 0.88 0.00 -2.33 0.00 0.00 43.42 42.44 1qvx n LEU 1013CO 0.43 -0.02 1.10 -0.61 -1.33 0.00 0.00 177.39 176.95 1qvx h GLN 1014N 0.00 0.00 -0.59 3.23 5.75 -1.58 -1.76 115.11 120.16 1qvx h GLN 1014Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1qvx h GLN 1014Cb 0.27 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1qvx h GLN 1014CO 0.00 0.03 0.06 0.37 -2.65 0.00 0.00 178.83 176.64 1qvx h GLN 1015N 0.00 0.99 -0.38 1.69 -0.00 -1.76 0.48 115.11 116.14 1qvx h GLN 1015Ca -0.00 -0.28 0.08 0.00 -0.00 0.00 0.00 58.65 58.45 1qvx h GLN 1015Cb 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 27.48 27.36 1qvx h GLN 1015CO 0.00 0.96 -0.21 1.49 0.00 0.00 0.00 178.83 181.07 1qvx h GLU 1016N 0.89 -0.14 0.00 1.69 4.57 -1.55 0.62 114.58 120.65 1qvx h GLU 1016Ca 0.17 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1qvx h GLU 1016Cb 0.47 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1qvx h GLU 1016CO 0.02 -0.10 0.00 1.88 -1.18 0.00 0.00 179.01 179.63 1qvx h TYR 1017N -0.15 0.00 -0.11 0.92 0.05 -1.52 -0.28 116.97 115.87 1qvx h TYR 1017Ca 0.19 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 1qvx h TYR 1017Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1qvx h TYR 1017CO -0.44 0.00 -0.22 -0.22 -1.05 0.00 0.00 178.16 176.24 1qvx h LYS 1018N 0.00 0.35 0.49 4.88 1.63 0.39 -2.07 116.57 122.24 1qvx h LYS 1018Ca 0.00 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 1qvx h LYS 1018Cb 0.68 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1qvx h LYS 1018CO 0.00 0.82 -0.33 -0.22 -3.45 0.00 0.00 179.45 176.27 1qvx h LYS 1019N -0.08 -0.77 -0.95 1.90 3.64 0.82 0.24 116.57 121.38 1qvx h LYS 1019Ca 0.01 0.05 0.24 0.00 -1.27 0.00 0.00 60.65 59.68 1qvx h LYS 1019Cb 0.80 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.67 1qvx h LYS 1019CO 0.05 -0.51 0.49 1.96 -2.27 0.00 0.00 179.45 179.17 1qvx h GLN 1020N -0.79 0.46 0.00 1.90 4.20 -1.17 0.18 115.11 119.89 1qvx h GLN 1020Ca -0.05 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1qvx h GLN 1020Cb 0.66 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1qvx h GLN 1020CO 0.04 0.30 -0.29 0.00 -0.67 0.00 0.00 178.83 178.21 1qvx h MET 1021N 0.47 0.00 -0.43 1.46 -0.00 -0.79 -2.93 114.93 112.72 1qvx h MET 1021Ca 0.61 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 60.16 1qvx h MET 1021Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.77 1qvx h MET 1021CO -0.51 0.29 -0.31 1.25 -0.00 0.00 0.00 176.91 177.63 1qvx h LEU 1022N 0.00 1.00 -1.20 -0.10 5.85 0.24 0.61 115.31 121.71 1qvx h LEU 1022Ca -0.00 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1qvx h LEU 1022Cb 1.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1qvx h LEU 1022CO 0.04 1.22 -0.11 0.74 -0.34 0.00 0.00 178.44 179.99 1qvx h THR 1023N 0.80 1.21 0.00 1.05 2.02 -1.28 -0.67 112.91 116.04 1qvx h THR 1023Ca 0.08 -0.92 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 1qvx h THR 1023Cb 0.90 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1qvx h THR 1023CO 0.08 0.30 -0.62 0.00 0.37 0.00 0.00 175.52 175.65 1qvx h ALA 1024N 1.50 0.65 -0.23 6.16 0.00 -1.26 -2.54 119.26 123.54 1qvx h ALA 1024Ca 0.08 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1qvx h ALA 1024Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1qvx h ALA 1024CO 0.02 0.78 -0.51 0.00 0.00 0.00 0.00 179.25 179.54 1qvx h ALA 1025N 1.38 0.67 -0.42 0.00 0.00 0.87 0.89 119.26 122.66 1qvx h ALA 1025Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1qvx h ALA 1025Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1qvx h ALA 1025CO 0.08 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.23 1qvx h HIS 1026N 0.50 0.84 0.11 0.00 2.76 -1.11 -0.07 115.15 118.18 1qvx h HIS 1026Ca 0.02 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1qvx h HIS 1026Cb 1.06 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1qvx h HIS 1026CO 0.05 0.84 -0.05 0.00 -1.30 0.00 0.00 177.93 177.47 1qvx h ALA 1027N 0.88 -0.14 -0.26 5.26 0.00 -1.29 -1.58 119.26 122.13 1qvx h ALA 1027Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 1027Cb 0.53 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qvx h ALA 1027CO 0.03 -0.51 -0.09 1.25 0.00 0.00 0.00 179.25 179.92 1qvx h LEU 1028N -0.28 0.40 -0.72 0.00 6.46 -0.83 0.12 115.31 120.47 1qvx h LEU 1028Ca -0.01 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1qvx h LEU 1028Cb 0.23 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 1qvx h LEU 1028CO 0.02 0.54 0.44 0.00 -0.62 0.00 0.00 178.44 178.82 1qvx h ALA 1029N 1.51 0.95 -0.49 1.25 0.00 -0.81 0.19 119.26 121.87 1qvx h ALA 1029Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1029Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qvx h ALA 1029CO 0.02 0.20 -0.15 0.28 0.00 0.00 0.00 179.25 179.60 1qvx h VAL 1030N 0.85 1.27 -0.51 0.00 2.07 -0.22 0.65 116.25 120.35 1qvx h VAL 1030Ca 0.30 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1qvx h VAL 1030Cb 0.07 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1qvx h VAL 1030CO -0.13 0.45 0.30 0.44 0.02 0.00 0.00 177.57 178.64 1qvx h ASP 1031N 0.83 0.63 0.24 0.57 5.19 -0.49 0.48 116.42 123.86 1qvx h ASP 1031Ca 0.12 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1qvx h ASP 1031Cb 0.69 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 1qvx h ASP 1031CO 0.05 0.52 -0.39 0.00 -3.12 0.00 0.00 179.24 176.31 1qvx h ALA 1032N 1.13 -0.75 0.00 3.45 0.00 -0.47 -2.97 119.26 119.65 1qvx h ALA 1032Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1032Cb 0.02 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1qvx h ALA 1032CO -0.03 -0.97 -0.09 0.87 0.00 0.00 0.00 179.25 179.02 1qvx h LYS 1033N -0.69 0.00 -0.14 0.00 1.57 -0.07 0.24 116.57 117.47 1qvx h LYS 1033Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1qvx h LYS 1033Cb 0.67 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1qvx h LYS 1033CO -0.15 0.09 -0.68 -0.97 -0.57 0.00 0.00 179.45 177.17 1qvx h ASN 1034N 0.00 0.85 1.08 0.86 -1.24 -0.05 -2.49 115.58 114.59 1qvx h ASN 1034Ca -0.00 -0.63 -0.10 0.00 0.71 0.00 0.00 56.30 56.28 1qvx h ASN 1034Cb 0.38 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1qvx h ASN 1034CO 0.01 1.34 -0.48 0.25 -1.29 0.00 0.00 177.43 177.27 1qvx h LEU 1035N 0.42 0.00 -0.13 0.34 7.12 -1.02 0.39 115.31 122.42 1qvx h LEU 1035Ca -0.04 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.01 1qvx h LEU 1035Cb 1.32 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.40 1qvx h LEU 1035CO 0.14 0.48 -0.16 0.25 -0.13 0.00 0.00 178.44 179.02 1qvx h LEU 1036N 0.00 -0.50 -0.43 2.25 7.12 -0.55 0.30 115.31 123.50 1qvx h LEU 1036Ca -0.00 0.09 -0.18 0.00 0.13 0.00 0.00 57.88 57.92 1qvx h LEU 1036Cb 1.15 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1qvx h LEU 1036CO 0.06 -0.21 -0.65 -0.78 -0.13 0.00 0.00 178.44 176.74 1qvx h ASP 1037N -0.20 0.60 0.17 1.25 3.58 -0.94 0.14 116.42 121.02 1qvx h ASP 1037Ca 0.10 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.20 1qvx h ASP 1037Cb 0.34 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 1qvx h ASP 1037CO -0.25 1.09 -0.49 0.58 -2.88 0.00 0.00 179.24 177.29 1qvx h VAL 1038N 0.38 0.00 0.00 2.25 2.07 0.22 0.20 116.25 121.37 1qvx h VAL 1038Ca -0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1qvx h VAL 1038Cb 1.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1qvx h VAL 1038CO 0.12 0.00 -1.30 0.16 0.02 0.00 0.00 177.57 176.57 1qvx h ILE 1039N -0.74 0.39 -0.44 4.57 3.07 -0.39 0.77 117.51 124.75 1qvx h ILE 1039Ca -0.01 -1.77 0.08 0.00 1.55 0.00 0.00 64.86 64.70 1qvx h ILE 1039Cb 0.72 1.92 -0.07 0.00 -0.27 0.00 0.00 36.82 39.13 1qvx h ILE 1039CO -0.24 0.22 0.04 -0.78 -1.05 0.00 0.00 178.15 176.35 1qvx h ASP 1040N 0.00 -0.09 1.32 2.16 3.58 -0.79 -1.17 116.42 121.44 1qvx h ASP 1040Ca -0.12 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1qvx h ASP 1040Cb 1.45 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 1qvx h ASP 1040CO 0.04 -0.01 -0.12 1.56 -2.88 0.00 0.00 179.24 177.83 1qvx h GLN 1041N 0.16 0.00 -0.09 0.28 4.20 -0.73 -3.02 115.11 115.92 1qvx h GLN 1041Ca 0.22 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.97 1qvx h GLN 1041Cb 0.30 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1qvx h GLN 1041CO -0.32 0.12 -0.26 0.00 -0.67 0.00 0.00 178.83 177.69 1qvx h ALA 1042N 1.88 -0.30 -0.84 3.87 0.00 0.18 1.95 119.26 126.00 1qvx h ALA 1042Ca -0.00 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1qvx h ALA 1042Cb 0.81 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1qvx h ALA 1042CO 0.02 -0.74 0.56 0.00 0.00 0.00 0.00 179.25 179.08 1qvx h ARG 1043N -0.36 0.42 -0.06 0.00 -0.00 -1.25 0.20 114.38 113.33 1qvx h ARG 1043Ca 0.09 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.98 59.36 1qvx h ARG 1043Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 1qvx h ARG 1043CO -0.29 0.28 -0.74 1.25 0.00 0.00 0.00 179.97 180.47 1qvx h LEU 1044N 0.43 0.39 -2.06 3.04 7.12 -0.93 -2.83 115.31 120.47 1qvx h LEU 1044Ca 0.42 -0.26 0.10 0.00 0.13 0.00 0.00 57.88 58.27 1qvx h LEU 1044Cb 1.00 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1qvx h LEU 1044CO -0.15 1.00 0.29 0.11 -0.13 0.00 0.00 178.44 179.55 1qvx h LYS 1045N 0.22 0.00 -0.08 1.25 1.79 0.61 1.02 116.57 121.38 1qvx h LYS 1045Ca -0.03 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 1qvx h LYS 1045Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1qvx h LYS 1045CO 0.12 0.00 -0.21 1.98 -1.08 0.00 0.00 179.45 180.26 1qvx h MET 1046N 0.00 0.28 -0.58 3.15 4.05 -1.02 -0.29 114.93 120.52 1qvx h MET 1046Ca 0.17 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1qvx h MET 1046Cb 0.74 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 1qvx h MET 1046CO -0.00 0.81 0.13 0.82 0.23 0.00 0.00 176.91 178.90 1qvx h ILE 1047N -0.20 1.25 -0.90 1.77 1.08 -0.97 0.90 117.51 120.43 1qvx h ILE 1047Ca -0.00 -0.91 0.15 0.00 -0.39 0.00 0.00 64.86 63.70 1qvx h ILE 1047Cb 0.82 0.73 -0.09 0.00 -3.07 0.00 0.00 36.82 35.20 1qvx h ILE 1047CO 0.04 0.34 0.51 -1.28 -0.69 0.00 0.00 178.15 177.07 1qvx h SER 1048N 0.84 0.67 0.92 1.72 0.87 0.11 0.13 113.55 118.81 1qvx h SER 1048Ca 0.18 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.60 1qvx h SER 1048Cb 0.36 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1qvx h SER 1048CO 0.00 0.30 -1.09 -0.61 -0.53 0.00 0.00 176.83 174.90 1qvx h GLN 1049N 0.73 0.01 0.00 2.24 -0.00 -0.67 -3.38 115.11 114.04 1qvx h GLN 1049Ca 0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1qvx h GLN 1049Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.13 1qvx h GLN 1049CO -0.34 0.95 0.00 0.43 0.00 0.00 0.00 178.83 179.88 1qvx n SER 1050N -3.32 0.00 -3.44 -0.69 7.64 0.28 -4.88 113.62 109.20 1qvx n SER 1050Ca -0.02 0.54 -0.21 0.00 1.01 0.00 0.00 58.87 60.19 1qvx n SER 1050Cb 0.96 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1qvx n SER 1050CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qvx s ARG 1051N -1.25 0.34 -1.16 1.43 0.52 0.38 -5.07 118.95 114.14 1qvx s ARG 1051Ca 0.00 -0.39 -0.21 0.00 -0.52 0.00 0.00 55.73 54.61 1qvx s ARG 1051Cb 0.00 -0.83 -0.06 0.00 0.52 0.00 0.00 34.95 34.58 1qvx s ARG 1051CO 0.00 -1.06 1.90 -0.35 0.02 0.00 0.00 175.30 175.82 1qvx n PRO 1052N 5.10 2.02 0.00 3.54 -0.04 -1.25 -4.71 135.00 139.66 1qvx n PRO 1052Ca -0.01 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1qvx n PRO 1052Cb 0.44 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04