#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvx n SER 921 N 0.00 3.41 -4.58 6.15 7.64 -1.26 -4.80 113.62 120.19 1qvx n SER 921 Ca 0.00 1.18 -0.24 0.00 1.01 0.00 0.00 58.87 60.82 1qvx n SER 921 Cb 0.00 -1.59 -0.07 0.00 -1.01 0.00 0.00 64.21 61.54 1qvx n SER 921 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1qvx s ASN 922 N -0.30 4.64 0.55 6.43 -0.87 -1.26 -4.88 114.94 119.25 1qvx s ASN 922 Ca 0.57 -1.31 -0.04 0.00 -1.57 0.00 0.00 52.86 50.51 1qvx s ASN 922 Cb -0.48 -2.59 0.06 0.00 -0.02 0.00 0.00 41.25 38.22 1qvx s ASN 922 CO 0.61 -3.45 0.13 -0.67 -2.57 0.00 0.00 177.10 171.15 1qvx n ASP 923 N 15.71 -1.63 0.31 -1.22 -0.08 -1.26 -3.56 116.55 124.82 1qvx n ASP 923 Ca 0.44 -0.13 0.03 0.00 -1.51 0.00 0.00 54.79 53.61 1qvx n ASP 923 Cb 0.46 -0.32 0.17 0.00 2.34 0.00 0.00 41.12 43.78 1qvx n ASP 923 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1qvx h LYS 924 N 0.00 0.00 0.64 -0.67 3.11 -1.98 0.31 116.57 117.98 1qvx h LYS 924 Ca -0.06 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 1qvx h LYS 924 Cb 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1qvx h LYS 924 CO 0.04 0.00 -0.31 -0.39 -2.81 0.00 0.00 179.45 175.98 1qvx h VAL 925 N 0.00 0.37 0.00 2.00 -1.51 -1.87 -1.14 116.25 114.10 1qvx h VAL 925 Ca 0.00 -0.01 -0.10 0.00 -1.23 0.00 0.00 66.70 65.36 1qvx h VAL 925 Cb 1.65 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1qvx h VAL 925 CO 0.00 0.00 -0.47 0.22 -1.23 0.00 0.00 177.57 176.09 1qvx h TYR 926 N -0.87 0.00 0.60 5.19 3.20 -0.44 -3.06 116.97 121.60 1qvx h TYR 926 Ca -0.09 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 1qvx h TYR 926 Cb 0.66 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.94 1qvx h TYR 926 CO -0.03 0.47 -0.29 0.93 -1.64 0.00 0.00 178.16 177.60 1qvx h GLU 927 N 0.00 -0.78 -0.07 1.82 5.08 -1.45 -3.08 114.58 116.11 1qvx h GLU 927 Ca -0.00 0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1qvx h GLU 927 Cb 1.29 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1qvx h GLU 927 CO 0.06 -0.52 -0.64 -0.97 -1.00 0.00 0.00 179.01 175.95 1qvx h ASN 928 N -0.94 0.29 -0.62 1.42 -0.00 -1.28 -2.78 115.58 111.68 1qvx h ASN 928 Ca -0.08 -0.17 -0.00 0.00 -0.00 0.00 0.00 56.30 56.04 1qvx h ASN 928 Cb 0.62 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.82 1qvx h ASN 928 CO 0.14 0.85 0.38 -0.37 -0.00 0.00 0.00 177.43 178.42 1qvx h VAL 929 N 0.18 1.18 -0.63 2.57 -1.51 -1.65 0.35 116.25 116.73 1qvx h VAL 929 Ca -0.01 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 1qvx h VAL 929 Cb 1.16 0.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.58 1qvx h VAL 929 CO 0.10 0.18 0.33 0.74 -1.23 0.00 0.00 177.57 177.70 1qvx h THR 930 N 0.86 1.20 -0.13 7.19 2.02 -1.40 -1.52 112.91 121.14 1qvx h THR 930 Ca 0.23 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1qvx h THR 930 Cb -0.03 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1qvx h THR 930 CO -0.04 0.22 0.10 1.23 0.37 0.00 0.00 175.52 177.40 1qvx h GLY 931 N 0.95 0.00 0.81 2.16 0.00 -0.15 0.66 103.07 107.51 1qvx h GLY 931 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1qvx h GLY 931 CO -0.03 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.48 1qvx h LEU 932 N 0.00 -0.07 -0.82 3.11 6.46 -0.24 0.12 115.31 123.87 1qvx h LEU 932 Ca 0.06 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1qvx h LEU 932 Cb 0.26 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 1qvx h LEU 932 CO -0.00 0.14 0.52 0.58 -0.62 0.00 0.00 178.44 179.06 1qvx h VAL 933 N -0.27 1.12 0.00 1.05 2.07 -1.20 0.13 116.25 119.14 1qvx h VAL 933 Ca -0.01 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1qvx h VAL 933 Cb 0.24 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1qvx h VAL 933 CO 0.01 0.18 -0.14 0.11 0.02 0.00 0.00 177.57 177.76 1qvx h LYS 934 N 1.01 0.00 0.00 1.57 1.79 -0.72 -0.87 116.57 119.35 1qvx h LYS 934 Ca 0.33 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.69 1qvx h LYS 934 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1qvx h LYS 934 CO -0.12 0.14 -0.53 0.00 -1.08 0.00 0.00 179.45 177.86 1qvx h ALA 935 N 1.86 0.67 0.00 3.86 0.00 0.16 -2.51 119.26 123.30 1qvx h ALA 935 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qvx h ALA 935 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 935 CO 0.02 0.66 0.00 1.33 0.00 0.00 0.00 179.25 181.26 1qvx n VAL 936 N -3.26 0.60 0.01 0.00 0.24 0.20 -1.87 118.33 114.25 1qvx n VAL 936 Ca 0.02 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 1qvx n VAL 936 Cb 0.73 -0.65 0.12 0.00 -1.47 0.00 0.00 33.84 32.57 1qvx n VAL 936 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1qvx h ILE 937 N 0.00 1.31 -0.93 1.34 2.04 -0.80 -2.46 117.51 117.99 1qvx h ILE 937 Ca 0.00 -1.59 0.13 0.00 1.00 0.00 0.00 64.86 64.40 1qvx h ILE 937 Cb 0.68 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 1qvx h ILE 937 CO 0.00 0.50 0.60 -0.33 0.00 0.00 0.00 178.15 178.91 1qvx h GLU 938 N 0.42 0.82 -0.70 2.37 4.39 -1.14 0.17 114.58 120.90 1qvx h GLU 938 Ca 0.03 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1qvx h GLU 938 Cb 0.91 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 1qvx h GLU 938 CO 0.08 0.54 0.43 1.98 -1.16 0.00 0.00 179.01 180.88 1qvx h MET 939 N 0.84 0.80 -0.48 2.33 4.05 -1.29 0.37 114.93 121.55 1qvx h MET 939 Ca 0.46 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.70 1qvx h MET 939 Cb 0.58 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1qvx h MET 939 CO -0.23 0.53 -0.23 0.77 0.23 0.00 0.00 176.91 177.98 1qvx h SER 940 N 0.82 1.03 0.38 1.39 0.02 -0.86 -2.93 113.55 113.41 1qvx h SER 940 Ca 0.29 -0.40 -0.24 0.00 -0.84 0.00 0.00 61.79 60.60 1qvx h SER 940 Cb 0.08 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.34 1qvx h SER 940 CO -0.13 1.20 -1.03 0.77 -1.14 0.00 0.00 176.83 176.50 1qvx h SER 941 N 0.86 0.54 -0.42 3.07 4.64 -0.29 -3.13 113.55 118.83 1qvx h SER 941 Ca 0.11 -0.47 0.07 0.00 -0.47 0.00 0.00 61.79 61.03 1qvx h SER 941 Cb 0.81 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 1qvx h SER 941 CO 0.07 1.29 0.08 0.11 -0.87 0.00 0.00 176.83 177.51 1qvx h LYS 942 N 0.20 0.20 0.00 4.77 1.79 -0.27 -2.36 116.57 120.90 1qvx h LYS 942 Ca -0.10 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1qvx h LYS 942 Cb 1.69 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.29 1qvx h LYS 942 CO 0.18 0.14 -0.25 0.97 -1.08 0.00 0.00 179.45 179.41 1qvx h ILE 943 N 0.21 0.61 0.58 1.86 2.10 -1.48 -2.32 117.51 119.08 1qvx h ILE 943 Ca 0.20 -1.16 -0.02 0.00 1.08 0.00 0.00 64.86 64.96 1qvx h ILE 943 Cb 0.25 1.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 1qvx h ILE 943 CO -0.27 0.24 -0.40 1.56 -1.08 0.00 0.00 178.15 178.20 1qvx h GLN 944 N 0.00 -0.91 0.00 2.19 4.20 -1.37 -3.29 115.11 115.94 1qvx h GLN 944 Ca -0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1qvx h GLN 944 Cb 0.75 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1qvx h GLN 944 CO 0.03 -0.61 -1.32 -0.35 -0.67 0.00 0.00 178.83 175.91 1qvx n PRO 945 N -5.53 0.40 -4.04 1.46 -0.04 -1.24 -5.00 135.00 121.01 1qvx n PRO 945 Ca -0.12 -0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 1qvx n PRO 945 Cb 0.42 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.29 3.73 0.57 0.55 0.00 -0.87 -5.13 121.76 117.32 1qvx s ALA 946 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1qvx s ALA 946 Cb 0.14 -1.50 0.07 0.00 0.00 0.00 0.00 23.12 21.83 1qvx s ALA 946 CO 0.84 0.34 0.51 -0.35 0.00 0.00 0.00 175.76 177.10 1qvx n PRO 947 N -1.00 0.24 -0.26 0.00 -0.04 -1.26 -4.64 135.00 128.04 1qvx n PRO 947 Ca -0.08 -1.39 0.29 0.00 -0.04 0.00 0.00 63.50 62.28 1qvx n PRO 947 Cb 0.56 -0.34 0.67 0.00 -0.04 0.00 0.00 33.50 34.35 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1qvx h PRO 948 N 0.00 0.11 -0.43 0.54 0.11 -1.99 0.30 132.00 130.64 1qvx h PRO 948 Ca -0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 948 Cb 0.63 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1qvx h PRO 948 CO 0.18 0.07 0.32 1.05 -0.21 0.00 0.00 178.00 179.41 1qvx h GLU 949 N 0.11 0.00 -0.01 1.05 4.11 -1.97 0.17 114.58 118.04 1qvx h GLU 949 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1qvx h GLU 949 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1qvx h GLU 949 CO -0.08 0.00 -0.50 0.39 0.07 0.00 0.00 179.01 178.89 1qvx n GLU 950 N -4.33 0.98 -0.18 1.06 -0.58 0.10 -3.89 120.64 113.80 1qvx n GLU 950 Ca 0.07 -0.78 -0.02 0.00 -0.42 0.00 0.00 57.16 56.01 1qvx n GLU 950 Cb 0.52 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.98 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1qvx h TYR 951 N 1.90 0.37 0.10 -0.32 -1.99 -0.48 0.32 116.97 116.87 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 0.68 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1qvx h TYR 951 CO 0.00 0.12 -0.05 -0.24 -0.00 0.00 0.00 178.16 177.99 1qvx h VAL 952 N 0.40 1.13 -0.76 -2.88 3.04 -1.67 -3.14 116.25 112.38 1qvx h VAL 952 Ca 0.26 -1.05 0.19 0.00 -1.01 0.00 0.00 66.70 65.09 1qvx h VAL 952 Cb 0.28 1.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.30 1qvx h VAL 952 CO -0.26 0.25 0.53 -0.65 -1.01 0.00 0.00 177.57 176.43 1qvx h PRO 953 N -0.64 0.17 -0.69 4.17 0.11 -1.66 0.52 132.00 133.98 1qvx h PRO 953 Ca -0.01 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1qvx h PRO 953 Cb 0.51 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1qvx h PRO 953 CO 0.02 0.11 0.14 0.00 -0.21 0.00 0.00 178.00 178.07 1qvx h MET 954 N 0.18 1.12 0.00 1.05 -0.00 -0.37 0.18 114.93 117.09 1qvx h MET 954 Ca 0.37 -0.28 -0.06 0.00 -0.00 0.00 0.00 59.70 59.73 1qvx h MET 954 Cb 1.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 1qvx h MET 954 CO -0.07 1.00 -0.29 0.28 -0.00 0.00 0.00 176.91 177.84 1qvx h VAL 955 N 1.06 1.01 -0.26 -0.10 2.07 -1.15 -2.45 116.25 116.43 1qvx h VAL 955 Ca 0.21 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1qvx h VAL 955 Cb 0.40 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1qvx h VAL 955 CO 0.01 0.28 -0.12 0.50 0.02 0.00 0.00 177.57 178.25 1qvx h LYS 956 N 0.00 0.43 -0.40 1.57 1.63 0.12 0.21 116.57 120.13 1qvx h LYS 956 Ca -0.00 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1qvx h LYS 956 Cb 0.58 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 1qvx h LYS 956 CO 0.04 0.56 0.14 0.93 -3.45 0.00 0.00 179.45 177.66 1qvx h GLU 957 N 0.40 0.28 0.00 1.90 4.39 -0.27 0.76 114.58 122.05 1qvx h GLU 957 Ca 0.08 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1qvx h GLU 957 Cb 0.46 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1qvx h GLU 957 CO 0.03 0.19 -0.27 -0.39 -1.16 0.00 0.00 179.01 177.41 1qvx h VAL 958 N 0.29 0.71 -0.18 3.13 -1.51 -1.36 -2.28 116.25 115.05 1qvx h VAL 958 Ca 0.19 -1.17 -0.06 0.00 -1.23 0.00 0.00 66.70 64.43 1qvx h VAL 958 Cb 0.17 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1qvx h VAL 958 CO -0.19 0.26 -0.13 1.23 -1.23 0.00 0.00 177.57 177.51 1qvx h GLY 959 N 1.80 0.45 1.95 5.19 0.00 0.40 -1.86 103.07 111.00 1qvx h GLY 959 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1qvx h GLY 959 CO 0.03 0.39 -0.09 -2.00 0.00 0.00 0.00 176.54 174.87 1qvx h LEU 960 N 0.08 0.05 0.47 3.11 7.12 -0.92 -2.27 115.31 122.96 1qvx h LEU 960 Ca 0.04 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1qvx h LEU 960 Cb 0.64 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1qvx h LEU 960 CO 0.03 0.16 -0.36 0.00 -0.13 0.00 0.00 178.44 178.14 1qvx h ALA 961 N 1.85 -0.85 -0.92 1.25 0.00 -0.78 0.80 119.26 120.61 1qvx h ALA 961 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 961 Cb 0.20 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1qvx h ALA 961 CO 0.01 -1.00 0.57 1.25 0.00 0.00 0.00 179.25 180.08 1qvx h LEU 962 N -0.82 1.08 -0.13 0.00 7.12 -1.18 0.56 115.31 121.93 1qvx h LEU 962 Ca -0.05 -0.05 0.04 0.00 0.13 0.00 0.00 57.88 57.95 1qvx h LEU 962 Cb 0.70 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.50 1qvx h LEU 962 CO 0.00 0.81 -0.40 0.03 -0.13 0.00 0.00 178.44 178.76 1qvx h ARG 963 N 1.25 -0.45 -0.97 1.25 2.47 -1.14 0.53 114.38 117.33 1qvx h ARG 963 Ca 0.33 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 59.22 1qvx h ARG 963 Cb -0.09 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.24 1qvx h ARG 963 CO -0.07 -0.30 0.59 1.15 0.56 0.00 0.00 179.97 181.90 1qvx h THR 964 N -0.47 0.83 0.00 2.04 2.02 -0.42 -0.61 112.91 116.30 1qvx h THR 964 Ca 0.08 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1qvx h THR 964 Cb 0.61 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1qvx h THR 964 CO -0.39 0.16 -0.30 -0.07 0.37 0.00 0.00 175.52 175.29 1qvx h LEU 965 N 0.87 0.00 -1.39 2.58 4.07 0.59 -1.90 115.31 120.13 1qvx h LEU 965 Ca 0.51 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.55 1qvx h LEU 965 Cb 0.62 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 1qvx h LEU 965 CO -0.31 0.30 0.48 0.25 -1.08 0.00 0.00 178.44 178.08 1qvx h LEU 966 N 0.00 0.63 -0.78 1.67 6.46 0.17 0.56 115.31 124.02 1qvx h LEU 966 Ca -0.00 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1qvx h LEU 966 Cb 0.65 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1qvx h LEU 966 CO 0.04 0.40 0.33 0.00 -0.62 0.00 0.00 178.44 178.59 1qvx h ALA 967 N 1.61 1.01 -0.75 1.25 0.00 -1.30 -1.44 119.26 119.65 1qvx h ALA 967 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1qvx h ALA 967 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1qvx h ALA 967 CO -0.11 0.62 0.37 1.15 0.00 0.00 0.00 179.25 181.27 1qvx h THR 968 N 1.12 1.24 -0.58 0.00 2.02 -0.72 -1.60 112.91 114.38 1qvx h THR 968 Ca 0.26 -0.65 0.14 0.00 0.77 0.00 0.00 66.41 66.92 1qvx h THR 968 Cb 0.18 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1qvx h THR 968 CO -0.03 0.28 0.40 0.58 0.37 0.00 0.00 175.52 177.13 1qvx h VAL 969 N 1.05 0.79 -0.00 3.16 2.07 0.61 -0.44 116.25 123.49 1qvx h VAL 969 Ca 0.26 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.50 1qvx h VAL 969 Cb 0.10 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1qvx h VAL 969 CO -0.03 0.03 -0.89 -0.78 0.02 0.00 0.00 177.57 175.92 1qvx h ASP 970 N 0.19 0.38 0.30 0.57 3.58 -0.34 0.52 116.42 121.62 1qvx h ASP 970 Ca 0.28 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1qvx h ASP 970 Cb 0.84 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1qvx h ASP 970 CO -0.05 1.10 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.92 1qvx h GLU 971 N 0.17 -0.41 0.00 0.28 4.39 -0.55 -2.51 114.58 115.95 1qvx h GLU 971 Ca -0.06 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1qvx h GLU 971 Cb 1.52 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1qvx h GLU 971 CO 0.14 -0.27 -0.09 1.03 -1.16 0.00 0.00 179.01 178.67 1qvx h SER 972 N -0.42 0.00 0.05 1.42 0.87 -1.08 -3.23 113.55 111.15 1qvx h SER 972 Ca -0.04 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1qvx h SER 972 Cb 0.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 1qvx h SER 972 CO 0.06 0.09 -0.33 0.25 -0.53 0.00 0.00 176.83 176.36 1qvx h LEU 973 N 0.00 -0.98 -2.12 2.23 5.85 0.53 0.71 115.31 121.53 1qvx h LEU 973 Ca -0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 973 Cb 0.45 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1qvx h LEU 973 CO 0.01 -0.40 -0.07 -0.65 -0.34 0.00 0.00 178.44 176.99 1qvx h PRO 974 N -0.51 0.00 0.00 5.25 0.11 -1.63 -0.44 132.00 134.77 1qvx h PRO 974 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1qvx h PRO 974 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1qvx h PRO 974 CO -0.24 0.07 0.00 0.28 -0.21 0.00 0.00 178.00 177.90 1qvx n VAL 975 N -3.55 0.21 0.10 3.15 0.31 0.36 -3.16 118.33 115.75 1qvx n VAL 975 Ca -0.02 0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 1qvx n VAL 975 Cb 0.19 -0.62 -0.15 0.00 -0.91 0.00 0.00 33.84 32.35 1qvx n VAL 975 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1qvx h LEU 976 N 0.00 0.70 -2.09 7.52 8.10 0.21 0.14 115.31 129.88 1qvx h LEU 976 Ca 0.00 -0.93 -0.02 0.00 0.11 0.00 0.00 57.88 57.04 1qvx h LEU 976 Cb 0.38 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1qvx h LEU 976 CO 0.00 1.76 -0.08 1.55 -4.11 0.00 0.00 178.44 177.56 1qvx h PRO 977 N 0.11 0.00 0.56 0.17 0.13 -1.63 -2.67 132.00 128.67 1qvx h PRO 977 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1qvx h PRO 977 Cb 2.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 33.25 1qvx h PRO 977 CO 0.21 0.08 -0.27 0.00 -0.23 0.00 0.00 178.00 177.79 1qvx h ALA 978 N 1.92 -0.96 0.00 -0.56 0.00 -1.49 -3.48 119.26 114.70 1qvx h ALA 978 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 978 Cb 0.26 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qvx h ALA 978 CO 0.01 -0.91 0.00 0.43 0.00 0.00 0.00 179.25 178.78 1qvx n SER 979 N -4.53 0.00 0.28 0.00 7.64 0.27 -4.77 113.62 112.50 1qvx n SER 979 Ca -0.09 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.95 1qvx n SER 979 Cb 0.30 0.00 0.87 0.00 -1.01 0.00 0.00 64.21 64.37 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 -0.08 0.44 2.02 -1.03 -3.20 112.91 111.05 1qvx h THR 980 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1qvx h THR 980 Cb 0.00 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1qvx h THR 980 CO 0.00 0.00 0.58 1.12 0.37 0.00 0.00 175.52 177.59 1qvx h HIS 981 N 0.00 0.00 0.34 3.16 2.07 -1.71 0.29 115.15 119.30 1qvx h HIS 981 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1qvx h HIS 981 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 1qvx h HIS 981 CO 0.00 0.00 -0.16 -0.09 -3.07 0.00 0.00 177.93 174.61 1qvx h ARG 982 N 0.00 -0.44 0.10 5.12 2.43 -1.86 -3.23 114.38 116.49 1qvx h ARG 982 Ca 0.04 0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 1qvx h ARG 982 Cb 1.21 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1qvx h ARG 982 CO -0.00 -0.15 -1.40 0.93 -1.51 0.00 0.00 179.97 177.84 1qvx h GLU 983 N -1.01 0.21 0.00 0.20 5.08 -1.34 -3.07 114.58 114.65 1qvx h GLU 983 Ca -0.05 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1qvx h GLU 983 Cb 0.49 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1qvx h GLU 983 CO 0.08 1.09 -0.04 0.97 -1.00 0.00 0.00 179.01 180.11 1qvx h ILE 984 N 0.06 0.48 -0.01 3.13 6.09 -0.69 0.22 117.51 126.79 1qvx h ILE 984 Ca -0.19 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 63.09 1qvx h ILE 984 Cb 1.97 1.12 0.00 0.00 0.47 0.00 0.00 36.82 40.39 1qvx h ILE 984 CO 0.17 0.04 -0.09 -0.33 -3.07 0.00 0.00 178.15 174.86 1qvx h GLU 985 N 0.00 0.08 -0.40 2.19 5.08 -1.61 -2.93 114.58 116.99 1qvx h GLU 985 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1qvx h GLU 985 Cb 0.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1qvx h GLU 985 CO 0.01 0.80 0.13 0.00 -1.00 0.00 0.00 179.01 178.94 1qvx h MET 986 N -0.62 0.61 0.07 2.33 -0.00 -0.62 -1.15 114.93 115.55 1qvx h MET 986 Ca -0.01 -0.13 -0.13 0.00 -0.00 0.00 0.00 59.70 59.44 1qvx h MET 986 Cb 0.82 -0.09 0.01 0.00 -0.00 0.00 0.00 31.60 32.35 1qvx h MET 986 CO 0.02 0.61 -0.54 0.00 -0.00 0.00 0.00 176.91 177.00 1qvx h ALA 987 N 0.98 -0.03 -0.52 -3.00 0.00 -0.90 -2.73 119.26 113.06 1qvx h ALA 987 Ca 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1qvx h ALA 987 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1qvx h ALA 987 CO -0.01 0.26 0.22 0.37 0.00 0.00 0.00 179.25 180.09 1qvx h GLN 988 N -0.47 0.76 -0.34 0.00 -0.00 -1.49 0.91 115.11 114.48 1qvx h GLN 988 Ca -0.09 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 1qvx h GLN 988 Cb 1.37 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.71 1qvx h GLN 988 CO 0.10 0.65 0.09 0.87 0.00 0.00 0.00 178.83 180.55 1qvx h LYS 989 N 0.69 0.48 -0.25 1.69 1.57 -1.34 -1.42 116.57 117.99 1qvx h LYS 989 Ca 0.17 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1qvx h LYS 989 Cb 0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qvx h LYS 989 CO -0.02 0.44 -0.57 1.25 -0.57 0.00 0.00 179.45 179.98 1qvx h LEU 990 N 0.48 0.87 0.15 2.94 5.85 -0.74 -1.55 115.31 123.31 1qvx h LEU 990 Ca 0.12 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1qvx h LEU 990 Cb 0.17 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1qvx h LEU 990 CO -0.01 1.25 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.21 1qvx h LEU 991 N 0.59 -0.17 -0.61 2.25 3.38 0.12 -0.06 115.31 120.82 1qvx h LEU 991 Ca 0.01 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1qvx h LEU 991 Cb 1.16 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 1qvx h LEU 991 CO 0.12 -0.04 0.28 -1.13 0.09 0.00 0.00 178.44 177.77 1qvx h ASN 992 N -0.29 0.37 -0.11 -0.43 -1.24 -1.28 0.12 115.58 112.72 1qvx h ASN 992 Ca -0.02 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1qvx h ASN 992 Cb 0.23 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.26 1qvx h ASN 992 CO 0.03 0.23 0.03 0.28 -1.29 0.00 0.00 177.43 176.71 1qvx h SER 993 N 0.52 0.17 0.01 1.15 0.02 -0.95 -3.06 113.55 111.41 1qvx h SER 993 Ca 0.29 -0.23 -0.39 0.00 -0.84 0.00 0.00 61.79 60.62 1qvx h SER 993 Cb 0.27 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1qvx h SER 993 CO -0.23 0.36 -2.45 0.47 -1.14 0.00 0.00 176.83 173.84 1qvx n ASP 994 N -4.86 1.99 -0.31 3.07 8.00 -0.06 -2.87 116.55 121.50 1qvx n ASP 994 Ca -0.06 -0.11 -0.04 0.00 0.71 0.00 0.00 54.79 55.29 1qvx n ASP 994 Cb 0.15 -0.45 0.08 0.00 -0.02 0.00 0.00 41.12 40.89 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N -0.01 1.01 -0.68 0.64 6.46 -0.94 -1.44 115.31 120.35 1qvx h LEU 995 Ca -0.57 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.11 1qvx h LEU 995 Cb 1.91 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.55 1qvx h LEU 995 CO -0.08 0.79 0.38 0.00 -0.62 0.00 0.00 178.44 178.91 1qvx h ALA 996 N 1.27 0.87 -0.48 1.25 0.00 -1.56 -2.46 119.26 118.15 1qvx h ALA 996 Ca 0.30 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1qvx h ALA 996 Cb -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.41 1qvx h ALA 996 CO -0.06 0.38 0.02 0.93 0.00 0.00 0.00 179.25 180.53 1qvx h GLU 997 N 0.93 0.14 -0.77 0.00 4.39 -1.22 -1.76 114.58 116.28 1qvx h GLU 997 Ca 0.24 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.97 1qvx h GLU 997 Cb 0.02 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1qvx h GLU 997 CO -0.04 0.09 0.51 -0.07 -1.16 0.00 0.00 179.01 178.34 1qvx h LEU 998 N 0.14 0.80 -0.61 1.33 -0.00 -0.84 1.03 115.31 117.16 1qvx h LEU 998 Ca 0.24 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.15 1qvx h LEU 998 Cb 0.36 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 1qvx h LEU 998 CO -0.38 0.54 0.36 0.40 -0.00 0.00 0.00 178.44 179.35 1qvx h ILE 999 N 0.92 1.03 0.00 1.22 2.04 -0.97 -0.52 117.51 121.23 1qvx h ILE 999 Ca 0.31 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1qvx h ILE 999 Cb 0.09 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1qvx h ILE 999 CO -0.09 0.13 -0.77 0.59 0.00 0.00 0.00 178.15 178.00 1qvx n ASN 1000N -4.77 0.67 0.06 1.72 3.02 -0.39 -2.87 115.26 112.71 1qvx n ASN 1000Ca 0.06 -0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 1qvx n ASN 1000Cb 0.11 0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.36 0.06 3.52 1.79 0.17 0.60 116.57 123.08 1qvx h LYS 1001Ca 0.00 -0.62 -0.26 0.00 -2.18 0.00 0.00 60.65 57.60 1qvx h LYS 1001Cb 0.56 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1qvx h LYS 1001CO 0.00 1.29 -1.09 1.98 -1.08 0.00 0.00 179.45 180.55 1qvx h MET 1002N 0.03 0.42 -0.07 3.15 4.05 -1.29 0.14 114.93 121.37 1qvx h MET 1002Ca -0.35 -0.54 0.04 0.00 -0.28 0.00 0.00 59.70 58.57 1qvx h MET 1002Cb 2.04 0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 32.96 1qvx h MET 1002CO 0.15 1.20 -0.23 -0.22 0.23 0.00 0.00 176.91 178.04 1qvx h LYS 1003N 0.20 -0.31 -0.20 0.39 3.64 -1.62 0.26 116.57 118.93 1qvx h LYS 1003Ca -0.12 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1qvx h LYS 1003Cb 1.76 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.59 1qvx h LYS 1003CO 0.19 -0.21 -0.18 1.25 -2.27 0.00 0.00 179.45 178.23 1qvx h LEU 1004N -0.32 -0.58 -0.03 5.20 6.46 0.30 0.70 115.31 127.03 1qvx h LEU 1004Ca 0.08 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.98 1qvx h LEU 1004Cb 0.44 0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1qvx h LEU 1004CO -0.25 -0.23 -0.15 0.00 -0.62 0.00 0.00 178.44 177.19 1qvx h ALA 1005N 0.89 -0.16 0.00 1.25 0.00 -0.28 0.84 119.26 121.81 1qvx h ALA 1005Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qvx h ALA 1005Cb 0.38 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qvx h ALA 1005CO -0.32 -0.64 0.00 1.04 0.00 0.00 0.00 179.25 179.34 1qvx n GLN 1006N -5.29 0.01 -0.04 0.00 1.13 0.88 -1.80 117.38 112.28 1qvx n GLN 1006Ca -0.05 0.18 -0.04 0.00 -1.94 0.00 0.00 57.00 55.15 1qvx n GLN 1006Cb 0.21 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.92 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1qvx n GLN 1007N -1.49 0.65 0.00 -1.09 -0.06 0.24 -3.99 117.38 111.65 1qvx n GLN 1007Ca 0.05 0.09 0.13 0.00 -2.00 0.00 0.00 57.00 55.26 1qvx n GLN 1007Cb 0.21 -1.65 0.30 0.00 -4.06 0.00 0.00 30.24 25.04 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -2.78 0.00 -0.69 3.69 9.36 0.27 -4.98 117.16 122.03 1qvx n TYR 1008Ca -0.19 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.74 1qvx n TYR 1008Cb 0.97 -0.03 -0.05 0.00 -0.63 0.00 0.00 39.34 39.60 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N 0.20 0.00 0.00 2.97 3.14 -0.74 -4.93 118.33 118.97 1qvx n VAL 1009Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1qvx n VAL 1009Cb 0.43 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 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 2.43 0.00 0.00 1.45 1.56 -1.26 -5.04 117.12 116.26 1qvx n MET 1010Ca 0.18 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.61 1qvx n MET 1010Cb -0.02 -0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.33 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1qvx n THR 1011N -1.09 0.00 0.38 1.12 -1.04 -1.26 -4.94 114.28 107.44 1qvx n THR 1011Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1qvx n THR 1011Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qvx n SER 1012N -0.79 0.73 0.00 8.00 7.64 -1.26 -3.33 113.62 124.62 1qvx n SER 1012Ca 0.00 0.14 0.10 0.00 1.01 0.00 0.00 58.87 60.12 1qvx n SER 1012Cb 0.00 0.42 0.53 0.00 -1.01 0.00 0.00 64.21 64.15 1qvx n SER 1012CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1qvx n LEU 1013N -2.31 0.00 -0.33 -3.43 7.94 -1.26 -3.26 117.00 114.35 1qvx n LEU 1013Ca 0.02 0.29 0.01 0.00 -1.11 0.00 0.00 56.01 55.22 1qvx n LEU 1013Cb 0.48 -0.29 0.15 0.00 0.53 0.00 0.00 43.42 44.29 1qvx n LEU 1013CO 0.39 -0.09 1.22 -0.61 -1.11 0.00 0.00 177.39 177.19 1qvx h GLN 1014N 0.00 1.01 0.00 1.96 5.75 -1.92 -1.58 115.11 120.33 1qvx h GLN 1014Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1qvx h GLN 1014Cb 0.20 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1qvx h GLN 1014CO 0.00 0.67 -0.34 -0.56 -2.65 0.00 0.00 178.83 175.95 1qvx h GLN 1015N 1.05 0.00 -0.05 1.69 3.07 -1.82 -0.20 115.11 118.84 1qvx h GLN 1015Ca 0.39 0.00 0.04 0.00 0.09 0.00 0.00 58.65 59.17 1qvx h GLN 1015Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.67 1qvx h GLN 1015CO -0.17 0.34 -0.25 1.49 0.09 0.00 0.00 178.83 180.33 1qvx h GLU 1016N 0.00 -0.35 0.00 0.06 4.57 -1.49 0.17 114.58 117.54 1qvx h GLU 1016Ca -0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1qvx h GLU 1016Cb 0.77 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1qvx h GLU 1016CO 0.04 -0.23 -0.11 1.88 -1.18 0.00 0.00 179.01 179.42 1qvx h TYR 1017N -0.36 0.00 0.00 0.92 0.05 -1.02 0.76 116.97 117.32 1qvx h TYR 1017Ca 0.08 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 1qvx h TYR 1017Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1qvx h TYR 1017CO -0.31 0.11 -0.38 -0.22 -1.05 0.00 0.00 178.16 176.31 1qvx h LYS 1018N 0.00 0.00 0.45 4.88 1.63 -0.30 -2.28 116.57 120.95 1qvx h LYS 1018Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1qvx h LYS 1018Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1qvx h LYS 1018CO 0.01 0.38 -0.22 0.87 -3.45 0.00 0.00 179.45 177.05 1qvx h LYS 1019N 0.00 -0.58 -0.99 1.90 1.79 0.18 0.18 116.57 119.05 1qvx h LYS 1019Ca -0.00 0.04 0.25 0.00 -2.18 0.00 0.00 60.65 58.75 1qvx h LYS 1019Cb 1.01 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 31.72 1qvx h LYS 1019CO 0.05 -0.29 0.65 1.96 -1.08 0.00 0.00 179.45 180.75 1qvx h GLN 1020N -1.03 0.35 -0.39 3.15 7.50 -1.60 0.91 115.11 124.00 1qvx h GLN 1020Ca -0.06 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.00 1qvx h GLN 1020Cb 0.56 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1qvx h GLN 1020CO 0.10 0.23 -0.01 1.98 -1.50 0.00 0.00 178.83 179.63 1qvx h MET 1021N 0.36 0.69 -0.67 1.46 1.85 -1.15 -2.44 114.93 115.02 1qvx h MET 1021Ca 0.53 -0.23 -0.07 0.00 -0.61 0.00 0.00 59.70 59.33 1qvx h MET 1021Cb 1.43 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.37 1qvx h MET 1021CO -0.21 0.80 0.15 1.25 -0.40 0.00 0.00 176.91 178.50 1qvx h LEU 1022N 0.51 1.01 -1.44 3.39 5.85 0.17 0.54 115.31 125.34 1qvx h LEU 1022Ca 0.11 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 1022Cb 0.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qvx h LEU 1022CO 0.02 0.98 -0.01 0.74 -0.34 0.00 0.00 178.44 179.83 1qvx h THR 1023N 1.01 1.15 0.14 1.05 2.02 -1.13 -1.43 112.91 115.73 1qvx h THR 1023Ca 0.21 -0.61 -0.30 0.00 0.77 0.00 0.00 66.41 66.48 1qvx h THR 1023Cb 0.37 0.99 0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1qvx h THR 1023CO 0.00 0.20 -1.28 0.00 0.37 0.00 0.00 175.52 174.82 1qvx h ALA 1024N 1.66 -0.02 -0.51 6.16 0.00 -0.74 -3.04 119.26 122.76 1qvx h ALA 1024Ca 0.08 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1qvx h ALA 1024Cb 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1qvx h ALA 1024CO 0.01 0.70 0.31 0.00 0.00 0.00 0.00 179.25 180.27 1qvx h ALA 1025N 0.28 1.60 -0.76 0.00 0.00 0.35 0.68 119.26 121.42 1qvx h ALA 1025Ca -0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qvx h ALA 1025Cb 1.95 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1qvx h ALA 1025CO 0.24 0.36 0.31 1.25 0.00 0.00 0.00 179.25 181.41 1qvx h HIS 1026N 0.70 1.13 -0.35 0.00 2.76 -1.27 0.79 115.15 118.91 1qvx h HIS 1026Ca 0.18 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1qvx h HIS 1026Cb -0.04 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 1qvx h HIS 1026CO 0.00 0.85 -0.05 0.00 -1.30 0.00 0.00 177.93 177.43 1qvx h ALA 1027N 1.24 0.48 -0.13 5.26 0.00 -0.83 -2.17 119.26 123.11 1qvx h ALA 1027Ca 0.25 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 1027Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qvx h ALA 1027CO -0.02 0.30 -0.53 1.25 0.00 0.00 0.00 179.25 180.24 1qvx h LEU 1028N 0.45 0.43 -1.72 0.00 6.46 -0.95 -1.61 115.31 118.37 1qvx h LEU 1028Ca 0.09 -0.22 0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1qvx h LEU 1028Cb 0.54 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1qvx h LEU 1028CO 0.03 0.88 0.36 0.00 -0.62 0.00 0.00 178.44 179.08 1qvx h ALA 1029N 1.13 2.08 0.00 1.25 0.00 -0.72 0.42 119.26 123.42 1qvx h ALA 1029Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 1029Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1qvx h ALA 1029CO 0.09 -0.20 -0.47 0.28 0.00 0.00 0.00 179.25 178.96 1qvx h VAL 1030N 0.32 1.14 -0.09 0.00 2.07 -0.64 -1.34 116.25 117.70 1qvx h VAL 1030Ca 0.24 -1.72 -0.22 0.00 0.82 0.00 0.00 66.70 65.82 1qvx h VAL 1030Cb 0.54 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1qvx h VAL 1030CO -0.06 0.46 -0.79 -2.24 0.02 0.00 0.00 177.57 174.96 1qvx h ASP 1031N 0.00 0.86 -0.04 0.57 3.04 -0.48 0.41 116.42 120.79 1qvx h ASP 1031Ca -0.00 -0.67 0.00 0.00 -3.24 0.00 0.00 57.03 53.12 1qvx h ASP 1031Cb 0.95 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1qvx h ASP 1031CO 0.06 1.40 0.02 0.00 -2.04 0.00 0.00 179.24 178.68 1qvx h ALA 1032N 0.48 0.04 -0.05 4.15 0.00 -1.34 -1.48 119.26 121.06 1qvx h ALA 1032Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qvx h ALA 1032Cb 1.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qvx h ALA 1032CO 0.16 -0.45 0.03 -0.22 0.00 0.00 0.00 179.25 178.77 1qvx h LYS 1033N 0.03 0.07 -0.53 0.00 1.63 -1.13 -0.17 116.57 116.47 1qvx h LYS 1033Ca 0.01 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1qvx h LYS 1033Cb 0.01 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1qvx h LYS 1033CO -0.00 0.05 0.24 -0.97 -3.45 0.00 0.00 179.45 175.31 1qvx h ASN 1034N 0.07 0.72 -0.04 4.20 -1.24 -0.10 -2.78 115.58 116.41 1qvx h ASN 1034Ca 0.02 -0.15 -0.20 0.00 0.71 0.00 0.00 56.30 56.68 1qvx h ASN 1034Cb -0.01 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.86 1qvx h ASN 1034CO -0.01 0.66 -0.70 0.25 -1.29 0.00 0.00 177.43 176.35 1qvx h LEU 1035N 0.72 0.78 -2.72 0.34 5.85 -1.14 0.44 115.31 119.58 1qvx h LEU 1035Ca 0.18 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1qvx h LEU 1035Cb 0.15 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1qvx h LEU 1035CO -0.02 1.26 0.00 0.17 -0.34 0.00 0.00 178.44 179.51 1qvx h LEU 1036N 0.48 0.00 0.01 2.25 8.10 -0.86 0.68 115.31 125.96 1qvx h LEU 1036Ca -0.03 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.59 1qvx h LEU 1036Cb 1.30 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.46 1qvx h LEU 1036CO 0.14 0.00 -2.33 -0.67 -4.11 0.00 0.00 178.44 171.46 1qvx n ASP 1037N -3.01 0.87 0.18 0.17 -0.08 -0.91 -2.69 116.55 111.08 1qvx n ASP 1037Ca -0.03 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.10 1qvx n ASP 1037Cb 0.09 0.32 -0.09 0.00 2.34 0.00 0.00 41.12 43.78 1qvx n ASP 1037CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1qvx h VAL 1038N 0.00 0.07 0.00 5.18 2.07 0.22 0.49 116.25 124.29 1qvx h VAL 1038Ca -0.53 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1qvx h VAL 1038Cb 2.10 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1qvx h VAL 1038CO -0.00 0.00 -0.71 0.16 0.02 0.00 0.00 177.57 177.04 1qvx h ILE 1039N -0.80 0.62 -0.81 4.57 -0.00 0.03 0.68 117.51 121.81 1qvx h ILE 1039Ca -0.01 -1.95 0.04 0.00 -0.00 0.00 0.00 64.86 62.94 1qvx h ILE 1039Cb 0.77 2.22 -0.05 0.00 -0.00 0.00 0.00 36.82 39.75 1qvx h ILE 1039CO -0.19 0.36 0.51 -0.78 -0.00 0.00 0.00 178.15 178.04 1qvx h ASP 1040N 0.00 0.82 -0.01 2.16 3.58 -1.48 -0.04 116.42 121.45 1qvx h ASP 1040Ca -0.04 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.30 1qvx h ASP 1040Cb 1.37 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1qvx h ASP 1040CO 0.05 0.55 -0.32 1.56 -2.88 0.00 0.00 179.24 178.20 1qvx h GLN 1041N 0.97 0.48 -0.28 0.28 4.20 0.52 -3.09 115.11 118.19 1qvx h GLN 1041Ca 0.33 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1qvx h GLN 1041Cb 0.07 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 1qvx h GLN 1041CO -0.13 0.75 -0.16 0.00 -0.67 0.00 0.00 178.83 178.61 1qvx h ALA 1042N 1.24 0.04 -0.95 3.87 0.00 0.17 1.95 119.26 125.59 1qvx h ALA 1042Ca 0.05 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.31 1qvx h ALA 1042Cb 0.77 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1qvx h ALA 1042CO 0.06 -0.57 0.48 -0.09 0.00 0.00 0.00 179.25 179.13 1qvx h ARG 1043N -0.14 0.41 0.00 0.00 1.12 -1.01 0.13 114.38 114.90 1qvx h ARG 1043Ca 0.15 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.85 1qvx h ARG 1043Cb 0.36 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.21 1qvx h ARG 1043CO -0.36 0.27 -0.69 1.25 -3.11 0.00 0.00 179.97 177.33 1qvx h LEU 1044N 0.42 0.00 -0.74 3.80 5.85 -0.05 -3.16 115.31 121.44 1qvx h LEU 1044Ca 0.62 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.28 1qvx h LEU 1044Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1qvx h LEU 1044CO -0.54 0.66 0.20 0.11 -0.34 0.00 0.00 178.44 178.54 1qvx h LYS 1045N 0.00 1.16 -0.54 1.25 1.79 0.55 1.21 116.57 121.98 1qvx h LYS 1045Ca -0.01 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1qvx h LYS 1045Cb 1.52 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.98 1qvx h LYS 1045CO 0.09 1.00 0.22 1.98 -1.08 0.00 0.00 179.45 181.65 1qvx h MET 1046N 1.10 0.80 -0.49 3.15 4.05 -1.26 -1.69 114.93 120.59 1qvx h MET 1046Ca 0.23 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1qvx h MET 1046Cb 0.35 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1qvx h MET 1046CO -0.00 0.70 0.22 0.82 0.23 0.00 0.00 176.91 178.88 1qvx h ILE 1047N 0.73 1.20 -0.80 1.77 1.08 -1.33 0.47 117.51 120.64 1qvx h ILE 1047Ca 0.18 -0.58 0.19 0.00 -0.39 0.00 0.00 64.86 64.25 1qvx h ILE 1047Cb 0.20 0.68 -0.12 0.00 -3.07 0.00 0.00 36.82 34.50 1qvx h ILE 1047CO -0.01 0.22 0.21 0.28 -0.69 0.00 0.00 178.15 178.16 1qvx h SER 1048N 0.65 0.02 0.00 1.72 0.02 0.20 0.22 113.55 116.38 1qvx h SER 1048Ca 0.17 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1qvx h SER 1048Cb 0.15 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1qvx h SER 1048CO -0.02 -0.07 -0.52 -0.61 -1.14 0.00 0.00 176.83 174.47 1qvx h GLN 1049N 0.26 0.00 -1.05 3.45 4.15 -1.13 -3.40 115.11 117.39 1qvx h GLN 1049Ca 0.47 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 59.48 1qvx h GLN 1049Cb 0.86 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.32 1qvx h GLN 1049CO -0.57 0.32 0.53 0.45 -1.93 0.00 0.00 178.83 177.63 1qvx n SER 1050N -4.61 4.29 -4.68 -0.69 2.88 0.16 -4.93 113.62 106.04 1qvx n SER 1050Ca -0.12 -3.25 -0.42 0.00 -1.33 0.00 0.00 58.87 53.76 1qvx n SER 1050Cb 0.32 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 1qvx n SER 1050CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qvx s ARG 1051N -2.54 4.19 0.08 -1.46 3.52 0.06 -4.83 118.95 117.96 1qvx s ARG 1051Ca 0.44 2.35 -0.19 0.00 -0.13 0.00 0.00 55.73 58.20 1qvx s ARG 1051Cb 0.36 -3.69 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 1qvx s ARG 1051CO 0.06 -0.77 1.31 -1.35 -0.81 0.00 0.00 175.30 173.75 1qvx h PRO 1052N 8.65 -0.17 0.00 5.12 0.11 -1.92 -3.51 132.00 140.28 1qvx h PRO 1052Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1qvx h PRO 1052Cb 1.20 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qvx h PRO 1052CO 0.93 -0.11 0.00 0.72 -0.21 0.00 0.00 178.00 179.33