#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 0.00 -2.61 6.15 7.64 -1.26 -4.03 113.62 119.51 1qvx n SER 921 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1qvx n SER 921 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1qvx n SER 921 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qvx n ASN 922 N 0.00 -6.48 -3.19 6.43 2.85 -1.26 -5.02 115.26 108.59 1qvx n ASN 922 Ca 0.00 0.16 -0.05 0.00 -0.11 0.00 0.00 54.58 54.58 1qvx n ASN 922 Cb 0.00 -4.32 0.05 0.00 1.24 0.00 0.00 39.78 36.75 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1qvx n ASP 923 N -1.01 -1.68 0.15 1.20 2.03 -1.26 -3.57 116.55 112.41 1qvx n ASP 923 Ca 0.04 -0.15 0.01 0.00 0.52 0.00 0.00 54.79 55.21 1qvx n ASP 923 Cb 0.43 -0.27 0.03 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.91 0.02 0.09 -0.67 0.00 -1.26 0.26 118.16 115.69 1qvx n LYS 924 Ca 0.02 0.44 -0.13 0.00 0.00 0.00 0.00 58.31 58.64 1qvx n LYS 924 Cb 0.10 -2.24 -0.08 0.00 0.00 0.00 0.00 35.03 32.81 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 0.96 -0.01 3.15 -1.51 -1.87 0.37 116.25 117.34 1qvx h VAL 925 Ca 0.00 -0.38 -0.20 0.00 -1.23 0.00 0.00 66.70 64.88 1qvx h VAL 925 Cb 1.37 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1qvx h VAL 925 CO 0.00 0.09 -0.87 0.22 -1.23 0.00 0.00 177.57 175.78 1qvx h TYR 926 N -0.36 0.44 0.67 5.19 3.20 -0.24 -3.14 116.97 122.72 1qvx h TYR 926 Ca -0.02 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 1qvx h TYR 926 Cb 0.29 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.51 1qvx h TYR 926 CO -0.01 1.03 -0.32 0.93 -1.64 0.00 0.00 178.16 178.15 1qvx h GLU 927 N 0.18 -0.86 -0.02 1.82 5.08 -1.54 -2.91 114.58 116.32 1qvx h GLU 927 Ca -0.05 0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1qvx h GLU 927 Cb 1.49 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1qvx h GLU 927 CO 0.14 -0.54 -0.68 -0.97 -1.00 0.00 0.00 179.01 175.96 1qvx h ASN 928 N -1.14 0.10 -0.11 1.42 -0.00 -1.03 -2.22 115.58 112.59 1qvx h ASN 928 Ca -0.09 -0.06 -0.12 0.00 -0.00 0.00 0.00 56.30 56.03 1qvx h ASN 928 Cb 0.72 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 39.00 1qvx h ASN 928 CO 0.15 0.75 -0.30 0.58 -0.00 0.00 0.00 177.43 178.60 1qvx h VAL 929 N 0.06 1.28 -0.17 2.57 2.07 -1.65 0.51 116.25 120.92 1qvx h VAL 929 Ca -0.01 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1qvx h VAL 929 Cb 1.21 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1qvx h VAL 929 CO 0.09 0.45 0.19 0.74 0.02 0.00 0.00 177.57 179.07 1qvx h THR 930 N 0.51 0.45 0.00 2.57 2.02 -1.27 -0.16 112.91 117.02 1qvx h THR 930 Ca 0.06 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1qvx h THR 930 Cb 0.78 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1qvx h THR 930 CO 0.06 0.00 -0.41 1.23 0.37 0.00 0.00 175.52 176.78 1qvx h GLY 931 N 0.00 0.00 1.02 2.16 0.00 0.58 -1.31 103.07 105.52 1qvx h GLY 931 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1qvx h GLY 931 CO -0.00 0.00 0.40 -2.00 0.00 0.00 0.00 176.54 174.94 1qvx h LEU 932 N 0.00 0.98 -0.45 3.11 6.46 0.14 0.95 115.31 126.50 1qvx h LEU 932 Ca -0.00 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1qvx h LEU 932 Cb 0.91 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1qvx h LEU 932 CO 0.05 0.81 0.27 0.58 -0.62 0.00 0.00 178.44 179.53 1qvx h VAL 933 N 1.07 1.15 -0.68 1.05 2.07 -1.27 0.21 116.25 119.85 1qvx h VAL 933 Ca 0.27 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1qvx h VAL 933 Cb 0.07 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1qvx h VAL 933 CO -0.04 0.15 0.32 0.11 0.02 0.00 0.00 177.57 178.13 1qvx h LYS 934 N 0.60 0.54 0.00 1.57 1.79 -0.66 0.15 116.57 120.56 1qvx h LYS 934 Ca 0.16 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.46 1qvx h LYS 934 Cb 0.01 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1qvx h LYS 934 CO -0.03 0.36 -0.65 0.00 -1.08 0.00 0.00 179.45 178.05 1qvx h ALA 935 N 1.42 0.79 0.00 3.86 0.00 -0.27 -2.27 119.26 122.78 1qvx h ALA 935 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qvx h ALA 935 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 935 CO -0.27 0.81 0.00 -0.24 0.00 0.00 0.00 179.25 179.55 1qvx h VAL 936 N 0.00 0.00 0.00 0.00 3.04 0.04 -1.80 116.25 117.54 1qvx h VAL 936 Ca -0.01 -0.74 -0.05 0.00 -1.01 0.00 0.00 66.70 64.89 1qvx h VAL 936 Cb 1.25 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 1qvx h VAL 936 CO 0.08 0.00 -0.24 0.40 -1.01 0.00 0.00 177.57 176.80 1qvx h ILE 937 N 0.00 0.78 -0.53 3.17 1.08 -0.13 -2.43 117.51 119.45 1qvx h ILE 937 Ca 0.00 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.43 1qvx h ILE 937 Cb 0.81 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1qvx h ILE 937 CO 0.00 0.24 0.11 -0.33 -0.69 0.00 0.00 178.15 177.47 1qvx h GLU 938 N 0.00 0.86 -0.84 2.37 4.39 -1.07 -1.02 114.58 119.27 1qvx h GLU 938 Ca -0.00 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.57 1qvx h GLU 938 Cb 0.58 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1qvx h GLU 938 CO 0.03 0.83 0.49 0.00 -1.16 0.00 0.00 179.01 179.20 1qvx h MET 939 N 0.75 0.82 -0.03 2.33 -0.00 -1.35 0.46 114.93 117.90 1qvx h MET 939 Ca 0.16 -0.05 -0.21 0.00 -0.00 0.00 0.00 59.70 59.61 1qvx h MET 939 Cb 0.37 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1qvx h MET 939 CO 0.01 0.54 -0.86 0.66 -0.00 0.00 0.00 176.91 177.26 1qvx h SER 940 N 0.84 0.49 0.01 -0.10 4.64 -1.39 -2.81 113.55 115.23 1qvx h SER 940 Ca 0.40 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1qvx h SER 940 Cb 0.32 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1qvx h SER 940 CO -0.23 1.15 -0.13 0.77 -0.87 0.00 0.00 176.83 177.52 1qvx h SER 941 N 0.24 0.09 0.77 4.97 4.64 -0.52 -2.88 113.55 120.85 1qvx h SER 941 Ca -0.06 -0.87 -0.02 0.00 -0.47 0.00 0.00 61.79 60.37 1qvx h SER 941 Cb 1.47 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1qvx h SER 941 CO 0.15 0.96 -0.09 0.07 -0.87 0.00 0.00 176.83 177.04 1qvx h LYS 942 N -0.76 0.00 0.00 4.77 5.09 -0.23 -0.30 116.57 125.14 1qvx h LYS 942 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.66 1qvx h LYS 942 Cb 0.99 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.31 1qvx h LYS 942 CO 0.02 0.09 -0.27 0.97 -2.09 0.00 0.00 179.45 178.18 1qvx h ILE 943 N 0.00 0.47 -0.30 0.07 6.09 -1.55 -3.26 117.51 119.03 1qvx h ILE 943 Ca -0.00 -1.66 0.07 0.00 -1.37 0.00 0.00 64.86 61.90 1qvx h ILE 943 Cb 0.50 2.23 -0.08 0.00 0.47 0.00 0.00 36.82 39.94 1qvx h ILE 943 CO 0.01 0.27 -0.34 1.56 -3.07 0.00 0.00 178.15 176.58 1qvx h GLN 944 N 0.00 -0.30 -1.01 2.19 1.08 -0.81 -1.17 115.11 115.08 1qvx h GLN 944 Ca -0.00 0.02 -0.40 0.00 -1.45 0.00 0.00 58.65 56.82 1qvx h GLN 944 Cb 1.20 0.07 -0.24 0.00 -0.05 0.00 0.00 27.48 28.47 1qvx h GLN 944 CO 0.04 -0.20 0.51 -0.35 -0.95 0.00 0.00 178.83 177.87 1qvx n PRO 945 N -5.41 1.96 -4.15 1.46 -0.04 -1.25 -4.97 135.00 122.59 1qvx n PRO 945 Ca -0.01 -2.30 -0.15 0.00 -0.04 0.00 0.00 63.50 61.01 1qvx n PRO 945 Cb 0.34 -1.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.78 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 -2.52 1.02 0.56 0.55 0.00 -0.44 -5.12 121.76 115.81 1qvx s ALA 946 Ca 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1qvx s ALA 946 Cb 0.37 0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1qvx s ALA 946 CO 0.08 0.01 0.53 -0.35 0.00 0.00 0.00 175.76 176.03 1qvx n PRO 947 N 0.87 0.26 -0.09 0.00 -0.04 -1.26 -4.87 135.00 129.87 1qvx n PRO 947 Ca -0.18 -1.48 0.23 0.00 -0.04 0.00 0.00 63.50 62.03 1qvx n PRO 947 Cb 0.56 -0.34 0.68 0.00 -0.04 0.00 0.00 33.50 34.36 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1qvx h PRO 948 N 0.00 0.05 -0.22 0.54 0.13 -1.97 0.16 132.00 130.69 1qvx h PRO 948 Ca -0.18 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1qvx h PRO 948 Cb 0.66 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1qvx h PRO 948 CO 0.19 0.03 0.17 0.93 -0.23 0.00 0.00 178.00 179.09 1qvx h GLU 949 N 0.05 0.00 -0.08 0.86 4.39 -1.94 0.23 114.58 118.09 1qvx h GLU 949 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1qvx h GLU 949 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1qvx h GLU 949 CO -0.02 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.22 1qvx n GLU 950 N -4.40 2.06 -0.22 2.33 -0.58 0.51 -4.11 120.64 116.23 1qvx n GLU 950 Ca 0.02 -1.85 -0.05 0.00 -0.42 0.00 0.00 57.16 54.86 1qvx n GLU 950 Cb 0.31 -1.42 0.05 0.00 -0.57 0.00 0.00 31.44 29.81 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 4.21 0.74 -0.01 -0.32 -1.99 0.08 0.28 116.97 119.96 1qvx h TYR 951 Ca 0.00 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1qvx h TYR 951 Cb 0.90 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1qvx h TYR 951 CO 0.04 0.44 -0.18 -0.24 -0.00 0.00 0.00 178.16 178.22 1qvx h VAL 952 N 0.79 1.53 -0.15 -2.88 3.04 -1.69 -3.12 116.25 113.76 1qvx h VAL 952 Ca 0.24 -1.81 0.04 0.00 -1.01 0.00 0.00 66.70 64.16 1qvx h VAL 952 Cb -0.03 2.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1qvx h VAL 952 CO -0.08 0.49 0.25 -0.65 -1.01 0.00 0.00 177.57 176.57 1qvx h PRO 953 N -0.51 0.00 -0.11 4.17 0.11 -1.69 -0.45 132.00 133.52 1qvx h PRO 953 Ca -0.02 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 1qvx h PRO 953 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1qvx h PRO 953 CO 0.04 0.00 -0.73 0.00 -0.21 0.00 0.00 178.00 177.09 1qvx h MET 954 N 0.00 0.52 0.00 1.05 -0.00 -0.44 -2.45 114.93 113.61 1qvx h MET 954 Ca 0.07 -0.42 -0.05 0.00 -0.00 0.00 0.00 59.70 59.30 1qvx h MET 954 Cb 0.56 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 1qvx h MET 954 CO -0.00 1.05 -0.24 -0.24 -0.00 0.00 0.00 176.91 177.48 1qvx h VAL 955 N 0.36 0.89 -0.85 -0.10 3.04 -1.07 -2.20 116.25 116.33 1qvx h VAL 955 Ca -0.03 -0.91 0.10 0.00 -1.01 0.00 0.00 66.70 64.84 1qvx h VAL 955 Cb 1.32 1.53 -0.07 0.00 -2.01 0.00 0.00 31.29 32.06 1qvx h VAL 955 CO 0.13 0.23 0.49 0.50 -1.01 0.00 0.00 177.57 177.92 1qvx h LYS 956 N 0.00 0.80 -0.49 4.17 3.64 -0.78 0.45 116.57 124.36 1qvx h LYS 956 Ca -0.00 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1qvx h LYS 956 Cb 0.52 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1qvx h LYS 956 CO 0.03 0.53 0.10 0.93 -2.27 0.00 0.00 179.45 178.77 1qvx h GLU 957 N 0.82 0.24 0.00 1.90 4.39 -1.26 0.12 114.58 120.79 1qvx h GLU 957 Ca 0.41 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 1qvx h GLU 957 Cb 0.37 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1qvx h GLU 957 CO -0.25 0.16 -0.15 -0.39 -1.16 0.00 0.00 179.01 177.22 1qvx h VAL 958 N 0.24 0.47 -0.45 3.13 -1.51 -1.01 -1.59 116.25 115.54 1qvx h VAL 958 Ca 0.24 -0.79 -0.07 0.00 -1.23 0.00 0.00 66.70 64.85 1qvx h VAL 958 Cb 0.32 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1qvx h VAL 958 CO -0.31 0.15 -0.00 1.23 -1.23 0.00 0.00 177.57 177.40 1qvx h GLY 959 N 1.54 0.86 2.00 5.19 0.00 0.17 -1.45 103.07 111.38 1qvx h GLY 959 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1qvx h GLY 959 CO 0.02 0.58 0.00 1.04 0.00 0.00 0.00 176.54 178.18 1qvx n LEU 960 N -4.38 0.04 -0.03 3.11 4.77 0.23 -1.65 117.00 119.08 1qvx n LEU 960 Ca -0.00 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1qvx n LEU 960 Cb 0.31 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1qvx n LEU 960 CO 0.42 -0.26 0.18 0.00 -1.33 0.00 0.00 177.39 176.39 1qvx h ALA 961 N 2.50 -0.05 0.00 -1.18 0.00 -0.33 -2.54 119.26 117.66 1qvx h ALA 961 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 961 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qvx h ALA 961 CO 0.00 -0.06 -0.30 1.25 0.00 0.00 0.00 179.25 180.14 1qvx h LEU 962 N -0.99 0.00 0.84 0.00 6.46 -1.41 -1.41 115.31 118.79 1qvx h LEU 962 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1qvx h LEU 962 Cb 0.39 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1qvx h LEU 962 CO 0.01 0.30 -0.42 0.03 -0.62 0.00 0.00 178.44 177.74 1qvx h ARG 963 N 0.00 -1.11 -0.43 1.25 3.08 -1.39 0.37 114.38 116.16 1qvx h ARG 963 Ca -0.00 0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1qvx h ARG 963 Cb 0.57 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1qvx h ARG 963 CO 0.04 -0.74 0.31 1.15 -1.07 0.00 0.00 179.97 179.66 1qvx h THR 964 N -1.15 0.82 -0.48 2.04 2.02 -1.45 -1.76 112.91 112.95 1qvx h THR 964 Ca -0.11 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1qvx h THR 964 Cb 0.89 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1qvx h THR 964 CO 0.18 0.01 -0.09 0.25 0.37 0.00 0.00 175.52 176.24 1qvx h LEU 965 N 0.07 0.90 -1.46 2.58 6.46 -0.65 -1.93 115.31 121.29 1qvx h LEU 965 Ca 0.20 -0.35 0.18 0.00 -0.12 0.00 0.00 57.88 57.79 1qvx h LEU 965 Cb 0.72 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.34 1qvx h LEU 965 CO -0.02 1.04 0.57 0.25 -0.62 0.00 0.00 178.44 179.67 1qvx h LEU 966 N 0.75 0.47 -0.06 2.25 6.46 0.66 0.57 115.31 126.41 1qvx h LEU 966 Ca 0.12 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1qvx h LEU 966 Cb 0.63 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1qvx h LEU 966 CO 0.04 0.21 0.03 0.00 -0.62 0.00 0.00 178.44 178.11 1qvx h ALA 967 N 1.62 0.07 -0.75 1.25 0.00 -1.26 0.44 119.26 120.63 1qvx h ALA 967 Ca 0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1qvx h ALA 967 Cb 0.99 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1qvx h ALA 967 CO -0.18 -0.41 0.46 1.15 0.00 0.00 0.00 179.25 180.28 1qvx h THR 968 N 0.04 1.08 -0.60 0.00 2.02 -0.96 -1.22 112.91 113.26 1qvx h THR 968 Ca 0.02 -0.31 0.16 0.00 0.77 0.00 0.00 66.41 67.05 1qvx h THR 968 Cb 0.04 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1qvx h THR 968 CO -0.00 0.16 0.42 0.58 0.37 0.00 0.00 175.52 177.05 1qvx h VAL 969 N 0.89 0.74 0.00 3.16 2.07 0.65 0.10 116.25 123.86 1qvx h VAL 969 Ca 0.31 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 1qvx h VAL 969 Cb 0.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1qvx h VAL 969 CO -0.13 0.02 -0.35 -0.78 0.02 0.00 0.00 177.57 176.35 1qvx h ASP 970 N 0.09 0.00 -0.22 0.57 3.58 0.32 0.72 116.42 121.48 1qvx h ASP 970 Ca 0.29 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.66 1qvx h ASP 970 Cb 1.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 1qvx h ASP 970 CO -0.03 0.35 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.20 1qvx h GLU 971 N 0.00 0.50 0.00 0.28 4.39 -0.64 -3.01 114.58 116.10 1qvx h GLU 971 Ca -0.00 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1qvx h GLU 971 Cb 0.85 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1qvx h GLU 971 CO 0.05 0.80 -0.15 1.03 -1.16 0.00 0.00 179.01 179.59 1qvx h SER 972 N 0.20 0.00 0.29 1.42 0.87 -0.65 -3.22 113.55 112.46 1qvx h SER 972 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1qvx h SER 972 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1qvx h SER 972 CO 0.04 0.15 -0.14 0.25 -0.53 0.00 0.00 176.83 176.60 1qvx h LEU 973 N 0.00 -0.33 -2.26 2.23 7.12 0.57 0.46 115.31 123.10 1qvx h LEU 973 Ca -0.00 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.02 1qvx h LEU 973 Cb 0.43 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1qvx h LEU 973 CO 0.02 -0.21 0.08 1.55 -0.13 0.00 0.00 178.44 179.75 1qvx h PRO 974 N -0.43 0.00 0.00 5.25 0.13 -1.64 0.18 132.00 135.49 1qvx h PRO 974 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1qvx h PRO 974 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1qvx h PRO 974 CO 0.07 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.12 1qvx h VAL 975 N 0.00 0.00 0.21 1.56 2.07 -1.10 -3.18 116.25 115.81 1qvx h VAL 975 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1qvx h VAL 975 Cb 0.21 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1qvx h VAL 975 CO -0.00 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 177.74 1qvx h LEU 976 N 0.00 -0.24 -1.71 2.57 6.46 0.30 0.49 115.31 123.18 1qvx h LEU 976 Ca 0.00 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1qvx h LEU 976 Cb 0.63 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1qvx h LEU 976 CO 0.00 0.02 -0.12 -0.65 -0.62 0.00 0.00 178.44 177.07 1qvx h PRO 977 N -0.51 0.03 0.63 5.25 0.11 -1.60 -1.80 132.00 134.10 1qvx h PRO 977 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1qvx h PRO 977 Cb 0.38 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1qvx h PRO 977 CO 0.05 0.16 -0.30 0.00 -0.21 0.00 0.00 178.00 177.69 1qvx h ALA 978 N 1.85 -0.84 0.00 -0.75 0.00 -1.48 -3.47 119.26 114.57 1qvx h ALA 978 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 978 Cb 0.24 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qvx h ALA 978 CO 0.02 -0.89 0.00 0.43 0.00 0.00 0.00 179.25 178.81 1qvx n SER 979 N -5.39 0.00 0.27 0.00 7.64 0.80 -4.91 113.62 112.03 1qvx n SER 979 Ca -0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.94 1qvx n SER 979 Cb 0.36 0.00 0.91 0.00 -1.01 0.00 0.00 64.21 64.47 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 0.22 -0.90 0.44 2.02 -0.22 -3.19 112.91 111.28 1qvx h THR 980 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 1qvx h THR 980 Cb 0.00 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1qvx h THR 980 CO 0.00 0.00 0.64 1.12 0.37 0.00 0.00 175.52 177.65 1qvx h HIS 981 N 0.00 0.00 0.49 3.16 2.07 -1.51 0.31 115.15 119.67 1qvx h HIS 981 Ca 0.05 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.55 1qvx h HIS 981 Cb 0.48 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1qvx h HIS 981 CO 0.00 0.00 -0.23 0.00 -3.07 0.00 0.00 177.93 174.63 1qvx h ARG 982 N 0.00 -0.63 0.01 5.12 3.08 -1.84 -3.19 114.38 116.93 1qvx h ARG 982 Ca 0.43 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.44 1qvx h ARG 982 Cb 1.71 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.91 1qvx h ARG 982 CO -0.01 -0.37 -0.30 1.49 -1.07 0.00 0.00 179.97 179.72 1qvx h GLU 983 N -0.77 0.19 -0.90 0.04 4.57 -0.80 -3.17 114.58 113.74 1qvx h GLU 983 Ca -0.07 -0.21 0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1qvx h GLU 983 Cb 0.55 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.14 1qvx h GLU 983 CO 0.11 0.97 0.58 0.97 -1.18 0.00 0.00 179.01 180.45 1qvx h ILE 984 N -0.50 0.92 -0.03 2.32 2.10 -0.80 0.89 117.51 122.41 1qvx h ILE 984 Ca -0.04 -0.29 -0.15 0.00 1.08 0.00 0.00 64.86 65.46 1qvx h ILE 984 Cb 1.08 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 1qvx h ILE 984 CO 0.06 0.15 -0.68 1.05 -1.08 0.00 0.00 178.15 177.65 1qvx h GLU 985 N 0.83 0.14 0.60 2.19 -0.00 -1.64 -0.50 114.58 116.21 1qvx h GLU 985 Ca 0.43 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.36 59.65 1qvx h GLU 985 Cb 0.51 0.02 0.01 0.00 -0.00 0.00 0.00 28.75 29.29 1qvx h GLU 985 CO -0.19 0.77 -0.29 0.00 -0.00 0.00 0.00 179.01 179.29 1qvx h MET 986 N 0.10 -0.78 0.06 1.06 -0.00 -0.79 -2.96 114.93 111.62 1qvx h MET 986 Ca -0.01 0.05 -0.24 0.00 -0.00 0.00 0.00 59.70 59.50 1qvx h MET 986 Cb 1.21 0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 32.98 1qvx h MET 986 CO 0.10 -0.48 -1.09 0.00 -0.00 0.00 0.00 176.91 175.44 1qvx h ALA 987 N -0.61 0.26 -0.52 -3.00 0.00 -1.56 -3.04 119.26 110.77 1qvx h ALA 987 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1qvx h ALA 987 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qvx h ALA 987 CO 0.14 1.03 0.33 0.37 0.00 0.00 0.00 179.25 181.12 1qvx h GLN 988 N 0.06 0.70 -0.29 0.00 4.15 -1.15 0.87 115.11 119.46 1qvx h GLN 988 Ca -0.08 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 1qvx h GLN 988 Cb 1.81 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 1qvx h GLN 988 CO 0.17 0.48 -0.08 0.87 -1.93 0.00 0.00 178.83 178.35 1qvx h LYS 989 N 0.70 0.46 -0.28 1.69 1.57 -1.61 -1.39 116.57 117.72 1qvx h LYS 989 Ca 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1qvx h LYS 989 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1qvx h LYS 989 CO -0.04 0.55 0.08 1.25 -0.57 0.00 0.00 179.45 180.73 1qvx h LEU 990 N 0.44 0.41 0.46 2.94 5.85 -0.99 -0.96 115.31 123.45 1qvx h LEU 990 Ca 0.09 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1qvx h LEU 990 Cb 0.41 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1qvx h LEU 990 CO 0.02 0.51 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.05 1qvx h LEU 991 N 0.28 -1.42 -0.84 2.25 3.38 0.11 0.14 115.31 119.22 1qvx h LEU 991 Ca 0.09 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.34 1qvx h LEU 991 Cb 0.25 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 1qvx h LEU 991 CO -0.00 -0.66 0.39 -1.13 0.09 0.00 0.00 178.44 177.13 1qvx h ASN 992 N -0.98 0.42 0.62 -0.43 -1.24 -1.24 0.45 115.58 113.19 1qvx h ASN 992 Ca -0.06 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1qvx h ASN 992 Cb 0.86 0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.98 1qvx h ASN 992 CO -0.09 0.14 -0.30 -1.28 -1.29 0.00 0.00 177.43 174.61 1qvx h SER 993 N 0.53 -0.71 0.16 1.15 0.87 -0.82 -3.03 113.55 111.70 1qvx h SER 993 Ca 0.47 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.75 1qvx h SER 993 Cb 0.74 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1qvx h SER 993 CO -0.41 -0.43 -1.29 0.44 -0.53 0.00 0.00 176.83 174.61 1qvx h ASP 994 N -0.96 0.51 -0.00 6.23 5.19 0.12 -1.26 116.42 126.25 1qvx h ASP 994 Ca -0.09 -0.91 0.03 0.00 -0.62 0.00 0.00 57.03 55.45 1qvx h ASP 994 Cb 0.68 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.97 1qvx h ASP 994 CO 0.14 1.59 -0.31 0.25 -3.12 0.00 0.00 179.24 177.79 1qvx h LEU 995 N -0.20 -0.93 -0.72 1.55 5.85 -0.30 0.14 115.31 120.70 1qvx h LEU 995 Ca -0.25 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1qvx h LEU 995 Cb 1.84 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 43.17 1qvx h LEU 995 CO 0.14 -0.37 0.37 0.00 -0.34 0.00 0.00 178.44 178.23 1qvx h ALA 996 N 0.29 1.00 -0.77 1.25 0.00 -1.61 -1.04 119.26 118.38 1qvx h ALA 996 Ca 0.06 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1qvx h ALA 996 Cb 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1qvx h ALA 996 CO -0.26 -0.03 0.40 0.93 0.00 0.00 0.00 179.25 180.29 1qvx h GLU 997 N 0.62 0.64 -0.50 0.00 5.08 -0.10 0.51 114.58 120.82 1qvx h GLU 997 Ca 0.35 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1qvx h GLU 997 Cb 0.37 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1qvx h GLU 997 CO -0.26 0.42 0.11 -0.07 -1.00 0.00 0.00 179.01 178.21 1qvx h LEU 998 N 0.65 0.71 0.00 1.33 -0.00 0.37 0.28 115.31 118.66 1qvx h LEU 998 Ca 0.39 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1qvx h LEU 998 Cb 0.43 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1qvx h LEU 998 CO -0.28 0.71 0.00 2.30 -0.00 0.00 0.00 178.44 181.17 1qvx n ILE 999 N -4.28 0.71 0.16 1.22 -5.35 0.12 -1.24 119.36 110.70 1qvx n ILE 999 Ca 0.03 0.18 0.04 0.00 -0.27 0.00 0.00 62.75 62.73 1qvx n ILE 999 Cb 0.22 -0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 37.17 1qvx n ILE 999 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1qvx n ASN 1000N -1.39 1.90 0.08 7.28 3.02 -0.30 -3.16 115.26 122.69 1qvx n ASN 1000Ca 0.06 -0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.23 1qvx n ASN 1000Cb 0.16 1.18 0.06 0.00 -0.61 0.00 0.00 39.78 40.58 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1qvx h LYS 1001N 0.00 0.22 0.13 3.52 1.79 0.92 1.03 116.57 124.17 1qvx h LYS 1001Ca 0.00 -0.18 -0.25 0.00 -2.18 0.00 0.00 60.65 58.04 1qvx h LYS 1001Cb 0.26 0.04 0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1qvx h LYS 1001CO 0.00 0.85 -1.06 0.52 -1.08 0.00 0.00 179.45 178.67 1qvx h MET 1002N 0.14 0.48 -0.60 3.15 2.86 -1.38 0.52 114.93 120.11 1qvx h MET 1002Ca -0.02 -0.70 0.07 0.00 -2.06 0.00 0.00 59.70 56.99 1qvx h MET 1002Cb 1.28 0.24 -0.06 0.00 0.06 0.00 0.00 31.60 33.12 1qvx h MET 1002CO 0.11 1.31 0.28 -0.22 1.06 0.00 0.00 176.91 179.45 1qvx h LYS 1003N 0.00 0.49 -0.16 1.72 1.63 -1.53 0.21 116.57 118.93 1qvx h LYS 1003Ca -0.17 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1qvx h LYS 1003Cb 1.79 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.30 1qvx h LYS 1003CO 0.20 0.33 0.09 -0.07 -3.45 0.00 0.00 179.45 176.55 1qvx h LEU 1004N 0.51 0.20 -0.64 5.20 3.38 0.12 0.78 115.31 124.86 1qvx h LEU 1004Ca 0.29 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1qvx h LEU 1004Cb 0.28 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1qvx h LEU 1004CO -0.24 0.22 0.38 0.00 0.09 0.00 0.00 178.44 178.89 1qvx h ALA 1005N 0.99 0.84 0.00 1.53 0.00 0.45 0.58 119.26 123.65 1qvx h ALA 1005Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qvx h ALA 1005Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qvx h ALA 1005CO -0.01 0.09 0.00 -0.56 0.00 0.00 0.00 179.25 178.77 1qvx h GLN 1006N 0.72 0.00 0.16 0.00 -0.00 -0.45 -2.37 115.11 113.17 1qvx h GLN 1006Ca 0.27 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.62 1qvx h GLN 1006Cb 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.59 1qvx h GLN 1006CO -0.14 0.00 -1.41 0.37 -0.00 0.00 0.00 178.83 177.65 1qvx h GLN 1007N 0.00 0.34 0.13 0.06 5.75 0.30 -3.38 115.11 118.32 1qvx h GLN 1007Ca 0.00 -0.59 -0.01 0.00 -0.15 0.00 0.00 58.65 57.91 1qvx h GLN 1007Cb 0.68 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1qvx h GLN 1007CO 0.00 1.26 -0.06 -0.92 -2.65 0.00 0.00 178.83 176.46 1qvx h TYR 1008N 0.09 -0.16 -6.33 3.99 3.20 0.12 -3.46 116.97 114.42 1qvx h TYR 1008Ca -0.21 -0.00 -0.42 0.00 3.14 0.00 0.00 58.73 61.24 1qvx h TYR 1008Cb 2.04 0.05 -0.26 0.00 1.54 0.00 0.00 36.73 40.10 1qvx h TYR 1008CO 0.08 -0.10 -0.61 1.55 -1.64 0.00 0.00 178.16 177.44 1qvx n VAL 1009N -3.10 0.00 -3.01 1.81 3.14 -0.90 -4.84 118.33 111.43 1qvx n VAL 1009Ca -0.02 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.93 1qvx n VAL 1009Cb 0.07 -0.34 -0.05 0.00 -1.06 0.00 0.00 33.84 32.46 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1qvx s MET 1010N -6.25 3.24 0.70 1.45 0.00 -1.26 -4.89 119.30 112.29 1qvx s MET 1010Ca 0.57 -0.53 0.00 0.00 0.00 0.00 0.00 55.69 55.72 1qvx s MET 1010Cb -0.33 -4.05 0.00 0.00 0.00 0.00 0.00 34.83 30.45 1qvx s MET 1010CO 0.69 -1.30 0.00 0.25 0.00 0.00 0.00 175.02 174.66 1qvx n THR 1011N 5.91 0.00 -0.78 10.11 -2.24 -1.26 0.19 114.28 126.20 1qvx n THR 1011Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1qvx n THR 1011Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qvx n SER 1012N 2.97 0.43 -0.07 3.42 7.64 -1.26 -4.72 113.62 122.02 1qvx n SER 1012Ca 0.00 -1.21 0.14 0.00 1.01 0.00 0.00 58.87 58.81 1qvx n SER 1012Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qvx n LEU 1013N -0.11 0.30 0.21 -3.43 7.99 0.13 -3.56 117.00 118.52 1qvx n LEU 1013Ca 0.00 0.12 0.15 0.00 -0.01 0.00 0.00 56.01 56.27 1qvx n LEU 1013Cb 0.44 -0.23 0.78 0.00 -0.11 0.00 0.00 43.42 44.30 1qvx n LEU 1013CO 0.00 0.06 1.13 -0.61 -1.51 0.00 0.00 177.39 176.46 1qvx h GLN 1014N 0.33 0.00 -0.42 3.23 -0.00 -1.81 -1.92 115.11 114.52 1qvx h GLN 1014Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.74 1qvx h GLN 1014Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.80 1qvx h GLN 1014CO 0.00 0.00 0.29 -0.56 0.00 0.00 0.00 178.83 178.56 1qvx h GLN 1015N 0.00 0.18 0.04 1.69 -0.00 -1.90 0.18 115.11 115.30 1qvx h GLN 1015Ca 0.07 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.74 1qvx h GLN 1015Cb 0.36 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 27.76 1qvx h GLN 1015CO -0.00 0.12 -0.26 1.49 -0.00 0.00 0.00 178.83 180.18 1qvx h GLU 1016N 0.19 -0.41 -0.59 0.06 4.81 -1.64 0.72 114.58 117.72 1qvx h GLU 1016Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1qvx h GLU 1016Cb 0.52 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1qvx h GLU 1016CO -0.03 -0.27 0.38 1.88 -0.73 0.00 0.00 179.01 180.23 1qvx h TYR 1017N -0.43 0.75 -0.56 0.92 -1.99 -1.17 0.92 116.97 115.41 1qvx h TYR 1017Ca 0.05 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1qvx h TYR 1017Cb 0.49 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 1qvx h TYR 1017CO -0.28 0.48 0.24 -0.22 -0.00 0.00 0.00 178.16 178.38 1qvx h LYS 1018N 0.80 0.79 0.42 4.88 3.11 -0.10 0.17 116.57 126.64 1qvx h LYS 1018Ca 0.21 -0.11 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 1qvx h LYS 1018Cb -0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1qvx h LYS 1018CO -0.04 0.64 -0.20 -0.22 -2.81 0.00 0.00 179.45 176.81 1qvx h LYS 1019N 0.79 -0.54 -0.98 1.90 1.63 0.24 0.24 116.57 119.85 1qvx h LYS 1019Ca 0.19 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.23 1qvx h LYS 1019Cb 0.12 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.79 1qvx h LYS 1019CO -0.02 -0.28 0.62 1.96 -3.45 0.00 0.00 179.45 178.28 1qvx h GLN 1020N -0.72 0.58 -0.53 1.90 1.08 -0.79 0.31 115.11 116.94 1qvx h GLN 1020Ca -0.06 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1qvx h GLN 1020Cb 0.51 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1qvx h GLN 1020CO 0.09 0.39 0.05 1.98 -0.95 0.00 0.00 178.83 180.39 1qvx h MET 1021N 0.60 0.91 -0.56 1.46 1.85 -0.21 -1.18 114.93 117.79 1qvx h MET 1021Ca 0.54 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1qvx h MET 1021Cb 1.06 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 1qvx h MET 1021CO -0.30 0.91 0.35 -0.07 -0.40 0.00 0.00 176.91 177.40 1qvx h LEU 1022N 0.79 0.66 -0.21 3.39 3.38 0.16 0.85 115.31 124.33 1qvx h LEU 1022Ca 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1qvx h LEU 1022Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1qvx h LEU 1022CO 0.02 0.51 0.01 0.74 0.09 0.00 0.00 178.44 179.80 1qvx h THR 1023N 0.76 1.25 -0.57 0.22 2.02 -1.27 -2.41 112.91 112.91 1qvx h THR 1023Ca 0.20 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1qvx h THR 1023Cb -0.05 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1qvx h THR 1023CO -0.04 0.26 0.28 0.00 0.37 0.00 0.00 175.52 176.39 1qvx h ALA 1024N 0.80 0.73 -0.15 6.16 0.00 -0.90 -1.54 119.26 124.35 1qvx h ALA 1024Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1024Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qvx h ALA 1024CO 0.01 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.63 1qvx h ALA 1025N 1.11 1.86 -0.01 0.00 0.00 0.80 0.23 119.26 123.25 1qvx h ALA 1025Ca 0.20 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1025Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qvx h ALA 1025CO -0.03 0.13 -0.93 1.25 0.00 0.00 0.00 179.25 179.67 1qvx h HIS 1026N 0.21 0.60 -0.45 0.00 6.17 -1.01 0.24 115.15 120.92 1qvx h HIS 1026Ca 0.06 -0.32 -0.00 0.00 0.71 0.00 0.00 60.37 60.81 1qvx h HIS 1026Cb 0.01 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 1qvx h HIS 1026CO 0.00 1.14 0.28 0.00 0.71 0.00 0.00 177.93 180.06 1qvx h ALA 1027N 0.75 0.57 0.30 5.26 0.00 0.04 0.45 119.26 126.63 1qvx h ALA 1027Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qvx h ALA 1027Cb 1.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1qvx h ALA 1027CO 0.16 0.05 -0.32 1.25 0.00 0.00 0.00 179.25 180.39 1qvx h LEU 1028N 0.60 -0.86 -1.99 0.00 6.46 -0.63 0.13 115.31 119.02 1qvx h LEU 1028Ca 0.16 0.08 0.18 0.00 -0.12 0.00 0.00 57.88 58.18 1qvx h LEU 1028Cb -0.02 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1qvx h LEU 1028CO -0.03 -0.44 0.49 0.00 -0.62 0.00 0.00 178.44 177.83 1qvx h ALA 1029N -0.10 2.51 -0.10 1.25 0.00 -0.55 0.15 119.26 122.42 1qvx h ALA 1029Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 1029Cb 0.60 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1qvx h ALA 1029CO -0.07 -0.80 -0.71 0.28 0.00 0.00 0.00 179.25 177.94 1qvx h VAL 1030N 0.00 1.32 -0.28 0.00 2.07 0.79 -0.99 116.25 119.16 1qvx h VAL 1030Ca 0.29 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1qvx h VAL 1030Cb 1.26 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1qvx h VAL 1030CO -0.00 0.61 0.15 -2.24 0.02 0.00 0.00 177.57 176.11 1qvx h ASP 1031N 0.31 0.35 -0.97 0.57 3.04 0.18 0.78 116.42 120.67 1qvx h ASP 1031Ca -0.06 -0.08 0.13 0.00 -3.24 0.00 0.00 57.03 53.78 1qvx h ASP 1031Cb 1.36 -0.09 -0.09 0.00 -1.04 0.00 0.00 39.33 39.48 1qvx h ASP 1031CO 0.15 0.33 0.60 0.00 -2.04 0.00 0.00 179.24 178.27 1qvx h ALA 1032N 1.03 1.50 0.05 4.15 0.00 -0.99 0.95 119.26 125.95 1qvx h ALA 1032Ca 0.10 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 1032Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qvx h ALA 1032CO -0.02 0.13 -1.04 -0.22 0.00 0.00 0.00 179.25 178.11 1qvx h LYS 1033N 0.90 0.33 -0.01 0.00 3.64 0.14 -1.15 116.57 120.41 1qvx h LYS 1033Ca 0.50 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1qvx h LYS 1033Cb 0.57 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1qvx h LYS 1033CO -0.30 1.12 -0.44 -0.97 -2.27 0.00 0.00 179.45 176.60 1qvx h ASN 1034N 0.16 0.41 0.07 4.20 -1.24 0.74 -2.92 115.58 117.00 1qvx h ASN 1034Ca -0.09 -0.75 -0.10 0.00 0.71 0.00 0.00 56.30 56.07 1qvx h ASN 1034Cb 1.71 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.62 1qvx h ASN 1034CO 0.17 1.10 -0.32 0.25 -1.29 0.00 0.00 177.43 177.34 1qvx h LEU 1035N -0.24 0.38 -1.58 0.34 7.12 -0.84 1.05 115.31 121.55 1qvx h LEU 1035Ca -0.05 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.77 1qvx h LEU 1035Cb 1.16 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1qvx h LEU 1035CO 0.09 0.69 -0.22 0.17 -0.13 0.00 0.00 178.44 179.04 1qvx h LEU 1036N 0.33 0.00 0.15 2.25 8.10 -1.27 0.24 115.31 125.10 1qvx h LEU 1036Ca 0.04 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.70 1qvx h LEU 1036Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.95 1qvx h LEU 1036CO 0.06 0.22 -1.65 -0.78 -4.11 0.00 0.00 178.44 172.18 1qvx h ASP 1037N 0.00 0.50 -0.16 0.17 3.58 -1.05 0.21 116.42 119.66 1qvx h ASP 1037Ca -0.00 -0.72 0.05 0.00 0.42 0.00 0.00 57.03 56.78 1qvx h ASP 1037Cb 0.41 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 1qvx h ASP 1037CO 0.03 1.61 -0.22 0.58 -2.88 0.00 0.00 179.24 178.36 1qvx h VAL 1038N 0.09 0.45 0.00 2.25 2.07 0.16 0.23 116.25 121.50 1qvx h VAL 1038Ca -0.29 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1qvx h VAL 1038Cb 2.06 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1qvx h VAL 1038CO 0.17 0.00 -1.24 2.30 0.02 0.00 0.00 177.57 178.82 1qvx n ILE 1039N -5.35 0.87 -0.27 4.57 -5.35 0.78 0.53 119.36 115.14 1qvx n ILE 1039Ca -0.02 -0.62 0.03 0.00 -0.27 0.00 0.00 62.75 61.87 1qvx n ILE 1039Cb 0.27 -0.52 0.12 0.00 -1.74 0.00 0.00 39.64 37.77 1qvx n ILE 1039CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1qvx h ASP 1040N 0.00 -0.62 1.17 7.28 1.82 -0.50 0.22 116.42 125.79 1qvx h ASP 1040Ca -0.08 0.22 -0.14 0.00 -0.39 0.00 0.00 57.03 56.64 1qvx h ASP 1040Cb 1.28 0.45 -0.02 0.00 0.68 0.00 0.00 39.33 41.72 1qvx h ASP 1040CO 0.02 -0.24 -0.68 1.56 -1.61 0.00 0.00 179.24 178.29 1qvx h GLN 1041N 0.02 0.00 0.19 0.28 4.20 -0.30 -3.08 115.11 116.42 1qvx h GLN 1041Ca 0.39 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.11 1qvx h GLN 1041Cb 0.64 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1qvx h GLN 1041CO -0.77 0.68 -0.34 0.00 -0.67 0.00 0.00 178.83 177.73 1qvx h ALA 1042N 1.32 -0.64 -0.40 3.87 0.00 0.15 1.27 119.26 124.84 1qvx h ALA 1042Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1qvx h ALA 1042Cb 1.44 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1qvx h ALA 1042CO 0.09 -0.91 0.27 -0.09 0.00 0.00 0.00 179.25 178.61 1qvx h ARG 1043N -0.62 0.27 0.00 0.00 9.65 -1.09 0.44 114.38 123.04 1qvx h ARG 1043Ca 0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1qvx h ARG 1043Cb 0.61 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1qvx h ARG 1043CO -0.16 0.18 0.00 1.28 2.80 0.00 0.00 179.97 184.07 1qvx n LEU 1044N -4.47 0.52 0.04 3.80 4.77 -0.50 -2.31 117.00 118.85 1qvx n LEU 1044Ca 0.05 0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 56.48 1qvx n LEU 1044Cb 0.27 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1qvx n LEU 1044CO 0.35 -0.16 0.36 0.11 -1.33 0.00 0.00 177.39 176.72 1qvx h LYS 1045N 0.00 0.44 -0.56 3.23 1.79 0.63 0.43 116.57 122.53 1qvx h LYS 1045Ca 0.00 -0.35 -0.10 0.00 -2.18 0.00 0.00 60.65 58.02 1qvx h LYS 1045Cb 0.62 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1qvx h LYS 1045CO 0.00 0.99 -0.02 1.98 -1.08 0.00 0.00 179.45 181.32 1qvx h MET 1046N 0.31 1.01 -0.47 3.15 4.05 -1.21 0.12 114.93 121.88 1qvx h MET 1046Ca -0.03 -0.33 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 1qvx h MET 1046Cb 1.29 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 1qvx h MET 1046CO 0.13 1.01 0.25 0.82 0.23 0.00 0.00 176.91 179.35 1qvx h ILE 1047N 0.89 1.15 -0.14 1.77 1.08 -1.22 -1.33 117.51 119.71 1qvx h ILE 1047Ca 0.16 -0.38 -0.13 0.00 -0.39 0.00 0.00 64.86 64.12 1qvx h ILE 1047Cb 0.57 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1qvx h ILE 1047CO 0.03 0.16 -0.47 -1.28 -0.69 0.00 0.00 178.15 175.90 1qvx h SER 1048N 0.65 0.39 0.81 1.72 0.87 0.77 0.54 113.55 119.30 1qvx h SER 1048Ca 0.17 -0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.33 1qvx h SER 1048Cb 0.03 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1qvx h SER 1048CO -0.03 0.81 -0.98 -0.61 -0.53 0.00 0.00 176.83 175.49 1qvx h GLN 1049N 0.29 0.09 0.10 2.24 5.75 -0.26 -3.19 115.11 120.12 1qvx h GLN 1049Ca 0.02 -0.13 -0.27 0.00 -0.15 0.00 0.00 58.65 58.11 1qvx h GLN 1049Cb 0.95 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1qvx h GLN 1049CO 0.08 1.00 -1.31 0.77 -2.65 0.00 0.00 178.83 176.72 1qvx h SER 1050N 0.04 0.32 -4.08 -0.69 0.02 -1.17 -3.51 113.55 104.49 1qvx h SER 1050Ca -0.04 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1qvx h SER 1050Cb 1.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1qvx h SER 1050CO 0.14 1.30 -0.35 0.54 -1.14 0.00 0.00 176.83 177.33 1qvx n ARG 1051N -3.45 -1.85 -1.71 3.45 1.74 0.19 -4.95 116.66 110.07 1qvx n ARG 1051Ca -0.10 1.35 -0.38 0.00 -0.77 0.00 0.00 57.85 57.95 1qvx n ARG 1051Cb 1.02 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 31.00 1qvx n ARG 1051CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1qvx n PRO 1052N -0.41 1.43 0.00 5.56 -0.02 -1.26 -5.00 135.00 135.30 1qvx n PRO 1052Ca 0.00 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.17 1qvx n PRO 1052Cb 0.00 -2.45 0.94 0.00 -0.02 0.00 0.00 33.50 31.97 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06