#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 5.22 -3.83 6.15 3.41 -1.26 -4.77 113.62 118.54 1qvx n SER 921 Ca 0.00 -2.41 -0.32 0.00 -0.26 0.00 0.00 58.87 55.88 1qvx n SER 921 Cb 0.00 -1.08 0.02 0.00 -0.26 0.00 0.00 64.21 62.89 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qvx n ASN 922 N 1.37 -3.55 -3.08 4.04 4.13 -1.26 -4.92 115.26 111.98 1qvx n ASN 922 Ca 0.01 -1.06 -0.02 0.00 1.68 0.00 0.00 54.58 55.20 1qvx n ASN 922 Cb 0.51 -3.01 0.02 0.00 -1.54 0.00 0.00 39.78 35.75 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1qvx n ASP 923 N -2.70 -1.03 0.00 6.41 5.75 -1.26 -3.53 116.55 120.19 1qvx n ASP 923 Ca -0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1qvx n ASP 923 Cb 0.62 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1qvx n LYS 924 N -0.65 0.00 0.03 0.11 0.00 -1.26 -0.33 118.16 116.06 1qvx n LYS 924 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 58.31 58.25 1qvx n LYS 924 Cb 0.03 -1.88 -0.08 0.00 0.00 0.00 0.00 35.03 33.10 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 0.95 0.00 3.15 -1.51 -1.88 -2.47 116.25 114.49 1qvx h VAL 925 Ca 0.00 -1.23 -0.15 0.00 -1.23 0.00 0.00 66.70 64.09 1qvx h VAL 925 Cb 0.77 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1qvx h VAL 925 CO 0.00 0.25 -0.73 0.22 -1.23 0.00 0.00 177.57 176.08 1qvx h TYR 926 N -0.84 0.00 0.06 5.19 3.20 -0.72 -2.77 116.97 121.08 1qvx h TYR 926 Ca -0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1qvx h TYR 926 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1qvx h TYR 926 CO 0.10 0.73 -0.03 0.93 -1.64 0.00 0.00 178.16 178.26 1qvx h GLU 927 N 0.00 -0.08 -0.02 1.82 4.39 -1.66 -3.09 114.58 115.94 1qvx h GLU 927 Ca -0.01 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 1qvx h GLU 927 Cb 1.40 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 1qvx h GLU 927 CO 0.10 0.53 -0.68 -0.97 -1.16 0.00 0.00 179.01 176.82 1qvx h ASN 928 N -0.82 0.10 -0.54 1.42 -1.24 -1.48 -1.94 115.58 111.07 1qvx h ASN 928 Ca -0.01 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 56.88 1qvx h ASN 928 Cb 0.64 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1qvx h ASN 928 CO 0.01 0.75 0.10 1.62 -1.29 0.00 0.00 177.43 178.62 1qvx h VAL 929 N 0.06 1.25 -0.81 2.57 3.04 -1.63 0.23 116.25 120.96 1qvx h VAL 929 Ca -0.01 -0.93 0.23 0.00 -1.01 0.00 0.00 66.70 64.98 1qvx h VAL 929 Cb 1.20 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 31.27 1qvx h VAL 929 CO 0.09 0.34 0.58 0.74 -1.01 0.00 0.00 177.57 178.31 1qvx h THR 930 N 0.77 0.61 -0.15 3.17 2.02 -1.39 0.83 112.91 118.76 1qvx h THR 930 Ca 0.16 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1qvx h THR 930 Cb 0.39 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qvx h THR 930 CO 0.01 0.01 0.06 1.23 0.37 0.00 0.00 175.52 177.19 1qvx h GLY 931 N 0.04 0.22 1.02 2.16 0.00 0.24 0.28 103.07 107.03 1qvx h GLY 931 Ca 0.39 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 1qvx h GLY 931 CO -0.02 0.09 -0.06 -2.00 0.00 0.00 0.00 176.54 174.54 1qvx h LEU 932 N 0.21 0.87 -1.36 3.11 6.46 -0.52 0.23 115.31 124.32 1qvx h LEU 932 Ca 0.05 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 1qvx h LEU 932 Cb 0.05 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 1qvx h LEU 932 CO -0.01 1.00 -0.06 0.58 -0.62 0.00 0.00 178.44 179.34 1qvx h VAL 933 N 0.72 1.18 -0.02 1.05 2.07 -0.98 0.43 116.25 120.70 1qvx h VAL 933 Ca 0.13 -0.74 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 1qvx h VAL 933 Cb 0.60 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1qvx h VAL 933 CO 0.04 0.24 -0.71 0.11 0.02 0.00 0.00 177.57 177.27 1qvx h LYS 934 N 0.34 0.09 0.01 1.57 1.79 -0.11 -2.03 116.57 118.23 1qvx h LYS 934 Ca 0.07 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 1qvx h LYS 934 Cb 0.33 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1qvx h LYS 934 CO 0.01 0.76 -0.91 0.00 -1.08 0.00 0.00 179.45 178.23 1qvx h ALA 935 N 1.22 0.50 0.00 3.86 0.00 -0.13 -2.49 119.26 122.21 1qvx h ALA 935 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1qvx h ALA 935 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1qvx h ALA 935 CO 0.10 1.11 0.00 1.55 0.00 0.00 0.00 179.25 182.01 1qvx n VAL 936 N -3.48 0.39 -0.08 0.00 3.14 0.06 -0.66 118.33 117.70 1qvx n VAL 936 Ca -0.01 -0.13 -0.12 0.00 -2.96 0.00 0.00 64.34 61.12 1qvx n VAL 936 Cb 0.86 -0.60 0.01 0.00 -1.06 0.00 0.00 33.84 33.05 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 1.28 -0.48 1.55 1.08 -1.03 0.36 117.51 120.27 1qvx h ILE 937 Ca 0.00 -1.61 -0.01 0.00 -0.39 0.00 0.00 64.86 62.85 1qvx h ILE 937 Cb 0.61 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1qvx h ILE 937 CO 0.00 0.53 0.27 -0.33 -0.69 0.00 0.00 178.15 177.93 1qvx h GLU 938 N 0.66 0.66 -0.53 2.37 5.08 -0.83 0.21 114.58 122.19 1qvx h GLU 938 Ca 0.04 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1qvx h GLU 938 Cb 1.01 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1qvx h GLU 938 CO 0.10 0.50 0.27 1.98 -1.00 0.00 0.00 179.01 180.85 1qvx h MET 939 N 0.63 0.50 -0.24 2.33 4.05 -0.77 0.54 114.93 121.97 1qvx h MET 939 Ca 0.17 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 1qvx h MET 939 Cb 0.02 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1qvx h MET 939 CO -0.03 0.33 -0.20 1.03 0.23 0.00 0.00 176.91 178.27 1qvx h SER 940 N 0.51 0.43 0.94 1.39 0.87 -0.52 -0.27 113.55 116.89 1qvx h SER 940 Ca 0.24 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 1qvx h SER 940 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1qvx h SER 940 CO -0.17 0.64 -0.71 0.28 -0.53 0.00 0.00 176.83 176.35 1qvx h SER 941 N 0.39 0.00 0.40 6.23 0.02 0.44 -3.11 113.55 117.92 1qvx h SER 941 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1qvx h SER 941 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1qvx h SER 941 CO 0.04 0.71 -0.19 0.11 -1.14 0.00 0.00 176.83 176.35 1qvx h LYS 942 N 0.00 -0.52 -0.21 3.45 1.79 0.39 -3.34 116.57 118.13 1qvx h LYS 942 Ca -0.01 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1qvx h LYS 942 Cb 1.37 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 1qvx h LYS 942 CO 0.09 -0.35 0.14 0.97 -1.08 0.00 0.00 179.45 179.22 1qvx h ILE 943 N -0.92 1.03 0.18 1.86 -0.00 -1.11 -0.74 117.51 117.82 1qvx h ILE 943 Ca -0.06 -0.08 -0.01 0.00 -0.00 0.00 0.00 64.86 64.71 1qvx h ILE 943 Cb 0.42 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.00 1qvx h ILE 943 CO 0.09 0.04 -0.09 1.56 -0.00 0.00 0.00 178.15 179.76 1qvx h GLN 944 N 0.24 -0.23 -0.57 2.19 4.20 -1.69 -3.35 115.11 115.89 1qvx h GLN 944 Ca 0.08 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1qvx h GLN 944 Cb 0.04 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1qvx h GLN 944 CO -0.02 -0.15 0.00 -0.35 -0.67 0.00 0.00 178.83 177.64 1qvx n PRO 945 N -3.76 2.43 -4.27 1.46 -0.04 -1.22 -4.88 135.00 124.73 1qvx n PRO 945 Ca -0.03 -1.50 -0.20 0.00 -0.04 0.00 0.00 63.50 61.73 1qvx n PRO 945 Cb 0.09 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.69 1.67 0.91 0.55 0.00 -0.29 -5.08 121.76 117.83 1qvx s ALA 946 Ca 0.27 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1qvx s ALA 946 Cb 0.17 -0.14 0.17 0.00 0.00 0.00 0.00 23.12 23.32 1qvx s ALA 946 CO 0.13 0.19 1.26 -2.14 0.00 0.00 0.00 175.76 175.20 1qvx s PRO 947 N -2.50 1.01 0.49 0.00 0.02 -1.26 -4.65 135.00 128.11 1qvx s PRO 947 Ca 0.09 -0.36 0.26 0.00 0.02 0.00 0.00 61.00 61.02 1qvx s PRO 947 Cb -0.06 -1.91 1.32 0.00 0.02 0.00 0.00 34.50 33.87 1qvx s PRO 947 CO 0.04 -2.16 1.86 -1.35 -0.33 0.00 0.00 177.00 175.07 1qvx h PRO 948 N -1.42 0.17 -0.56 5.54 0.11 -1.95 0.32 132.00 134.20 1qvx h PRO 948 Ca -0.44 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1qvx h PRO 948 Cb 1.26 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1qvx h PRO 948 CO 0.44 0.11 0.38 1.05 -0.21 0.00 0.00 178.00 179.77 1qvx h GLU 949 N 0.17 0.23 -0.01 1.05 9.09 -1.95 0.38 114.58 123.53 1qvx h GLU 949 Ca 0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1qvx h GLU 949 Cb 1.54 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.59 1qvx h GLU 949 CO -0.09 0.15 -0.11 0.39 0.05 0.00 0.00 179.01 179.39 1qvx n GLU 950 N -4.44 1.45 0.08 1.06 4.71 0.11 -3.70 120.64 119.90 1qvx n GLU 950 Ca 0.10 -0.93 0.00 0.00 -0.01 0.00 0.00 57.16 56.31 1qvx n GLU 950 Cb 0.46 -1.48 0.31 0.00 -1.01 0.00 0.00 31.44 29.72 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 2.28 0.34 0.03 -0.32 0.05 -0.07 0.48 116.97 119.77 1qvx h TYR 951 Ca 0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1qvx h TYR 951 Cb 0.58 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1qvx h TYR 951 CO 0.00 0.50 -0.02 -0.24 -1.05 0.00 0.00 178.16 177.36 1qvx h VAL 952 N 0.29 1.38 -0.71 -2.88 3.04 -1.63 -3.19 116.25 112.56 1qvx h VAL 952 Ca 0.05 -1.72 0.20 0.00 -1.01 0.00 0.00 66.70 64.22 1qvx h VAL 952 Cb 0.52 2.47 -0.03 0.00 -2.01 0.00 0.00 31.29 32.24 1qvx h VAL 952 CO 0.03 0.41 0.51 -0.65 -1.01 0.00 0.00 177.57 176.87 1qvx h PRO 953 N -0.85 0.03 -0.52 4.17 0.11 -1.65 0.23 132.00 133.51 1qvx h PRO 953 Ca -0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1qvx h PRO 953 Cb 0.71 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1qvx h PRO 953 CO 0.01 0.02 0.08 0.00 -0.21 0.00 0.00 178.00 177.89 1qvx h MET 954 N 0.03 0.87 0.00 1.05 -0.00 -0.10 -1.68 114.93 115.09 1qvx h MET 954 Ca 0.34 -0.24 -0.09 0.00 -0.00 0.00 0.00 59.70 59.71 1qvx h MET 954 Cb 1.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 1qvx h MET 954 CO -0.01 0.85 -0.43 0.28 -0.00 0.00 0.00 176.91 177.60 1qvx h VAL 955 N 0.75 0.94 -0.62 -0.10 2.07 -1.36 -2.76 116.25 115.17 1qvx h VAL 955 Ca 0.16 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 66.06 1qvx h VAL 955 Cb 0.41 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 1qvx h VAL 955 CO 0.01 0.42 0.22 0.50 0.02 0.00 0.00 177.57 178.74 1qvx h LYS 956 N 0.00 0.38 -0.35 1.57 3.11 -0.10 0.53 116.57 121.70 1qvx h LYS 956 Ca -0.00 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.87 1qvx h LYS 956 Cb 1.01 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 32.11 1qvx h LYS 956 CO 0.06 0.25 0.04 0.93 -2.81 0.00 0.00 179.45 177.91 1qvx h GLU 957 N 0.39 0.14 0.00 1.90 4.39 -1.06 -0.10 114.58 120.24 1qvx h GLU 957 Ca 0.32 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.89 1qvx h GLU 957 Cb 0.41 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1qvx h GLU 957 CO -0.33 0.09 -0.58 -0.39 -1.16 0.00 0.00 179.01 176.64 1qvx h VAL 958 N 0.15 1.26 -0.14 3.13 -1.51 -1.24 -1.55 116.25 116.34 1qvx h VAL 958 Ca 0.17 -2.12 -0.13 0.00 -1.23 0.00 0.00 66.70 63.38 1qvx h VAL 958 Cb 0.21 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1qvx h VAL 958 CO -0.25 0.57 -0.44 1.23 -1.23 0.00 0.00 177.57 177.45 1qvx h GLY 959 N 2.22 0.60 1.16 5.19 0.00 0.45 -1.19 103.07 111.50 1qvx h GLY 959 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1qvx h GLY 959 CO 0.08 0.70 0.35 1.41 0.00 0.00 0.00 176.54 179.07 1qvx h LEU 960 N 0.17 0.98 -0.19 3.11 -0.00 -1.05 0.84 115.31 119.18 1qvx h LEU 960 Ca -0.02 -0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1qvx h LEU 960 Cb 1.06 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 41.40 1qvx h LEU 960 CO 0.09 0.84 -0.37 0.00 -0.00 0.00 0.00 178.44 179.01 1qvx h ALA 961 N 1.31 -0.43 -0.29 1.53 0.00 -1.06 0.38 119.26 120.69 1qvx h ALA 961 Ca 0.26 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1qvx h ALA 961 Cb 0.12 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1qvx h ALA 961 CO -0.03 -0.84 -0.18 1.25 0.00 0.00 0.00 179.25 179.45 1qvx h LEU 962 N -0.41 0.52 0.13 0.00 7.12 -0.84 0.70 115.31 122.53 1qvx h LEU 962 Ca 0.10 -0.15 0.01 0.00 0.13 0.00 0.00 57.88 57.97 1qvx h LEU 962 Cb 0.58 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 1qvx h LEU 962 CO -0.41 0.71 -0.20 0.03 -0.13 0.00 0.00 178.44 178.44 1qvx h ARG 963 N 0.48 -0.37 -0.72 1.25 2.47 -0.38 0.52 114.38 117.62 1qvx h ARG 963 Ca 0.08 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1qvx h ARG 963 Cb 0.58 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 1qvx h ARG 963 CO 0.04 -0.25 0.20 1.15 0.56 0.00 0.00 179.97 181.67 1qvx h THR 964 N -0.39 1.26 -1.00 2.04 2.02 0.06 -1.71 112.91 115.19 1qvx h THR 964 Ca 0.02 -0.95 0.15 0.00 0.77 0.00 0.00 66.41 66.40 1qvx h THR 964 Cb 0.39 0.50 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 1qvx h THR 964 CO -0.09 0.37 0.62 0.25 0.37 0.00 0.00 175.52 177.04 1qvx h LEU 965 N 1.08 0.84 -2.15 2.58 5.85 0.74 0.13 115.31 124.38 1qvx h LEU 965 Ca 0.23 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1qvx h LEU 965 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1qvx h LEU 965 CO -0.00 0.39 0.15 -0.07 -0.34 0.00 0.00 178.44 178.56 1qvx h LEU 966 N 0.87 0.00 -0.51 2.25 3.38 0.98 0.31 115.31 122.59 1qvx h LEU 966 Ca 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.44 1qvx h LEU 966 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1qvx h LEU 966 CO -0.31 0.00 0.09 0.00 0.09 0.00 0.00 178.44 178.31 1qvx h ALA 967 N 1.87 0.68 -0.85 1.53 0.00 -0.59 -1.56 119.26 120.33 1qvx h ALA 967 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1qvx h ALA 967 Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1qvx h ALA 967 CO -0.00 0.41 0.50 1.15 0.00 0.00 0.00 179.25 181.31 1qvx h THR 968 N 0.73 1.24 -0.58 0.00 2.02 -0.67 -1.62 112.91 114.03 1qvx h THR 968 Ca 0.16 -0.54 0.16 0.00 0.77 0.00 0.00 66.41 66.95 1qvx h THR 968 Cb 0.39 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1qvx h THR 968 CO 0.01 0.26 0.41 0.58 0.37 0.00 0.00 175.52 177.15 1qvx h VAL 969 N 1.17 0.74 0.00 3.16 2.07 -0.07 0.15 116.25 123.47 1qvx h VAL 969 Ca 0.30 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.69 1qvx h VAL 969 Cb -0.03 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1qvx h VAL 969 CO -0.06 0.01 -0.55 -0.78 0.02 0.00 0.00 177.57 176.22 1qvx h ASP 970 N 0.06 0.00 -0.04 0.57 3.58 -0.31 0.89 116.42 121.17 1qvx h ASP 970 Ca 0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1qvx h ASP 970 Cb 1.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 1qvx h ASP 970 CO -0.02 0.55 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.49 1qvx h GLU 971 N 0.00 0.12 0.00 0.28 4.39 -0.53 -3.01 114.58 115.83 1qvx h GLU 971 Ca -0.01 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1qvx h GLU 971 Cb 1.21 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1qvx h GLU 971 CO 0.07 0.63 -0.14 1.03 -1.16 0.00 0.00 179.01 179.43 1qvx h SER 972 N -0.37 0.00 0.11 1.42 0.87 -0.79 -3.26 113.55 111.53 1qvx h SER 972 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1qvx h SER 972 Cb 0.61 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1qvx h SER 972 CO 0.02 0.14 -0.31 0.25 -0.53 0.00 0.00 176.83 176.40 1qvx h LEU 973 N 0.00 -0.88 -2.23 2.23 7.12 0.96 0.97 115.31 123.48 1qvx h LEU 973 Ca -0.00 0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.15 1qvx h LEU 973 Cb 0.59 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1qvx h LEU 973 CO 0.02 -0.39 0.13 1.55 -0.13 0.00 0.00 178.44 179.61 1qvx h PRO 974 N -0.52 0.00 0.00 5.25 0.13 -1.66 0.23 132.00 135.43 1qvx h PRO 974 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1qvx h PRO 974 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1qvx h PRO 974 CO -0.19 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 177.86 1qvx h VAL 975 N 0.00 0.00 0.78 1.56 2.07 -0.23 -3.14 116.25 117.30 1qvx h VAL 975 Ca 0.06 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1qvx h VAL 975 Cb 0.31 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1qvx h VAL 975 CO -0.00 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.09 1qvx h LEU 976 N 0.00 -1.05 -1.87 2.57 4.07 0.42 0.38 115.31 119.83 1qvx h LEU 976 Ca 0.00 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.09 1qvx h LEU 976 Cb 0.65 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 1qvx h LEU 976 CO 0.00 -0.69 0.27 -0.65 -1.08 0.00 0.00 178.44 176.29 1qvx h PRO 977 N -1.12 0.15 0.46 1.13 0.11 -1.64 -1.22 132.00 129.88 1qvx h PRO 977 Ca -0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1qvx h PRO 977 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1qvx h PRO 977 CO 0.14 0.10 -0.22 0.00 -0.21 0.00 0.00 178.00 177.81 1qvx h ALA 978 N 1.80 -0.62 0.00 -0.75 0.00 -1.45 -3.47 119.26 114.77 1qvx h ALA 978 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qvx h ALA 978 Cb 0.51 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qvx h ALA 978 CO -0.03 -0.82 0.00 0.43 0.00 0.00 0.00 179.25 178.83 1qvx n SER 979 N -5.34 0.00 0.32 0.00 7.64 0.77 -4.66 113.62 112.35 1qvx n SER 979 Ca -0.11 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.96 1qvx n SER 979 Cb 0.27 0.00 1.07 0.00 -1.01 0.00 0.00 64.21 64.55 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 0.20 -0.04 0.44 2.02 -0.35 -3.17 112.91 112.01 1qvx h THR 980 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1qvx h THR 980 Cb 0.00 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1qvx h THR 980 CO 0.00 0.00 0.37 1.12 0.37 0.00 0.00 175.52 177.38 1qvx h HIS 981 N 0.00 0.00 0.29 3.16 2.07 -1.63 0.45 115.15 119.49 1qvx h HIS 981 Ca 0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1qvx h HIS 981 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1qvx h HIS 981 CO 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 177.93 174.72 1qvx h ARG 982 N 0.00 -0.37 -0.03 5.12 3.08 -1.85 -3.00 114.38 117.33 1qvx h ARG 982 Ca 0.02 0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 1qvx h ARG 982 Cb 0.77 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.91 1qvx h ARG 982 CO -0.00 -0.03 -0.70 0.93 -1.07 0.00 0.00 179.97 179.10 1qvx h GLU 983 N -0.91 0.52 -0.61 0.04 3.07 -1.48 -3.08 114.58 112.13 1qvx h GLU 983 Ca -0.04 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.36 58.29 1qvx h GLU 983 Cb 0.51 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1qvx h GLU 983 CO 0.06 1.16 0.35 0.97 -1.40 0.00 0.00 179.01 180.16 1qvx h ILE 984 N 0.10 1.18 -0.95 3.13 2.10 -1.12 0.34 117.51 122.29 1qvx h ILE 984 Ca -0.08 -0.41 0.02 0.00 1.08 0.00 0.00 64.86 65.47 1qvx h ILE 984 Cb 1.38 0.33 -0.05 0.00 -1.09 0.00 0.00 36.82 37.39 1qvx h ILE 984 CO 0.14 0.19 0.62 -0.33 -1.08 0.00 0.00 178.15 177.69 1qvx h GLU 985 N 0.84 1.21 0.41 2.19 4.39 -1.59 0.57 114.58 122.60 1qvx h GLU 985 Ca 0.22 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1qvx h GLU 985 Cb -0.01 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.37 1qvx h GLU 985 CO -0.04 0.80 -0.20 0.00 -1.16 0.00 0.00 179.01 178.41 1qvx h MET 986 N 1.25 -0.53 0.05 2.33 -0.00 -0.28 -3.08 114.93 114.66 1qvx h MET 986 Ca 0.36 0.04 -0.23 0.00 -0.00 0.00 0.00 59.70 59.87 1qvx h MET 986 Cb -0.08 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1qvx h MET 986 CO -0.10 -0.35 -1.04 0.00 -0.00 0.00 0.00 176.91 175.42 1qvx h ALA 987 N -1.47 0.32 -0.24 -3.00 0.00 -1.31 -1.85 119.26 111.70 1qvx h ALA 987 Ca -0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 54.91 53.88 1qvx h ALA 987 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qvx h ALA 987 CO 0.09 0.98 -0.49 0.37 0.00 0.00 0.00 179.25 180.20 1qvx h GLN 988 N 0.09 0.75 0.00 0.00 -0.00 -1.04 0.70 115.11 115.61 1qvx h GLN 988 Ca -0.08 -0.49 -0.04 0.00 -0.00 0.00 0.00 58.65 58.05 1qvx h GLN 988 Cb 1.73 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.27 1qvx h GLN 988 CO 0.16 1.12 -0.17 0.87 0.00 0.00 0.00 178.83 180.81 1qvx h LYS 989 N 0.49 0.00 -0.04 1.69 1.79 -1.58 -1.56 116.57 117.35 1qvx h LYS 989 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1qvx h LYS 989 Cb 1.10 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1qvx h LYS 989 CO 0.11 0.17 -0.05 1.25 -1.08 0.00 0.00 179.45 179.85 1qvx h LEU 990 N 0.00 0.12 -0.78 2.94 5.85 -0.60 -2.86 115.31 119.98 1qvx h LEU 990 Ca -0.00 -0.50 0.12 0.00 0.84 0.00 0.00 57.88 58.33 1qvx h LEU 990 Cb 0.69 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 1qvx h LEU 990 CO 0.02 0.60 0.40 -0.07 -0.34 0.00 0.00 178.44 179.05 1qvx h LEU 991 N -0.35 0.50 -1.09 2.25 3.38 0.69 0.40 115.31 121.08 1qvx h LEU 991 Ca 0.01 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.26 1qvx h LEU 991 Cb 0.57 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 1qvx h LEU 991 CO 0.01 0.25 0.61 -1.13 0.09 0.00 0.00 178.44 178.28 1qvx h ASN 992 N 0.63 0.70 0.00 -0.43 -1.24 -1.22 0.50 115.58 114.52 1qvx h ASN 992 Ca 0.40 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.51 1qvx h ASN 992 Cb 0.49 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1qvx h ASN 992 CO -0.31 0.22 -0.00 -1.28 -1.29 0.00 0.00 177.43 174.76 1qvx h SER 993 N 0.66 -0.00 -0.18 1.15 0.87 -0.20 -2.98 113.55 112.87 1qvx h SER 993 Ca 0.58 -0.84 -0.21 0.00 -1.23 0.00 0.00 61.79 60.10 1qvx h SER 993 Cb 1.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1qvx h SER 993 CO -0.37 0.85 -0.69 -2.24 -0.53 0.00 0.00 176.83 173.85 1qvx h ASP 994 N -0.87 0.94 -0.31 6.23 3.04 -0.01 -0.99 116.42 124.44 1qvx h ASP 994 Ca -0.00 -0.57 0.04 0.00 -3.24 0.00 0.00 57.03 53.26 1qvx h ASP 994 Cb 0.84 -0.27 -0.04 0.00 -1.04 0.00 0.00 39.33 38.82 1qvx h ASP 994 CO 0.00 1.37 0.09 0.25 -2.04 0.00 0.00 179.24 178.91 1qvx h LEU 995 N 0.58 0.07 -1.94 0.15 7.12 -0.19 0.12 115.31 121.22 1qvx h LEU 995 Ca -0.03 0.04 0.15 0.00 0.13 0.00 0.00 57.88 58.17 1qvx h LEU 995 Cb 1.31 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 1qvx h LEU 995 CO 0.14 0.08 0.51 0.00 -0.13 0.00 0.00 178.44 179.04 1qvx h ALA 996 N 1.21 2.27 0.10 1.25 0.00 -1.32 0.65 119.26 123.43 1qvx h ALA 996 Ca 0.14 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 996 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 996 CO -0.17 -0.77 -1.17 0.93 0.00 0.00 0.00 179.25 178.08 1qvx h GLU 997 N 0.00 0.29 0.05 0.00 4.39 0.52 -2.69 114.58 117.15 1qvx h GLU 997 Ca 0.24 -0.44 -0.24 0.00 0.34 0.00 0.00 59.36 59.26 1qvx h GLU 997 Cb 1.25 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1qvx h GLU 997 CO -0.00 1.18 -1.12 -0.07 -1.16 0.00 0.00 179.01 177.85 1qvx h LEU 998 N 0.10 0.18 -1.64 1.33 4.07 0.87 0.72 115.31 120.94 1qvx h LEU 998 Ca -0.12 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.65 1qvx h LEU 998 Cb 1.88 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 43.56 1qvx h LEU 998 CO 0.19 1.15 -0.02 0.16 -1.08 0.00 0.00 178.44 178.84 1qvx h ILE 999 N 0.03 0.06 0.00 1.22 3.07 0.11 0.48 117.51 122.48 1qvx h ILE 999 Ca -0.07 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.85 1qvx h ILE 999 Cb 1.86 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 39.87 1qvx h ILE 999 CO 0.16 0.02 -1.39 -0.46 -1.05 0.00 0.00 178.15 175.43 1qvx n ASN 1000N -3.13 0.46 -0.21 2.16 0.23 -1.01 -1.94 115.26 111.83 1qvx n ASN 1000Ca 0.00 -0.09 -0.09 0.00 -0.53 0.00 0.00 54.58 53.87 1qvx n ASN 1000Cb 0.28 1.20 0.02 0.00 -2.08 0.00 0.00 39.78 39.20 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1qvx h LYS 1001N 0.00 1.02 0.07 -3.83 1.63 0.21 1.26 116.57 116.92 1qvx h LYS 1001Ca 0.00 -0.31 -0.24 0.00 -0.85 0.00 0.00 60.65 59.25 1qvx h LYS 1001Cb 0.87 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1qvx h LYS 1001CO 0.00 0.99 -1.09 0.00 -3.45 0.00 0.00 179.45 175.90 1qvx h MET 1002N 0.91 0.27 0.65 1.90 -0.00 -0.24 -1.82 114.93 116.60 1qvx h MET 1002Ca 0.17 -0.38 -0.03 0.00 -0.00 0.00 0.00 59.70 59.46 1qvx h MET 1002Cb 0.51 0.13 0.01 0.00 -0.00 0.00 0.00 31.60 32.24 1qvx h MET 1002CO 0.02 1.13 -0.31 -0.22 -0.00 0.00 0.00 176.91 177.53 1qvx h LYS 1003N 0.11 -0.84 -0.10 -0.10 3.64 -1.26 -2.76 116.57 115.27 1qvx h LYS 1003Ca -0.10 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1qvx h LYS 1003Cb 1.78 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.78 1qvx h LYS 1003CO 0.18 -0.53 -0.00 -0.07 -2.27 0.00 0.00 179.45 176.75 1qvx h LEU 1004N -0.94 0.18 -0.20 5.20 3.38 0.16 0.52 115.31 123.61 1qvx h LEU 1004Ca -0.09 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1qvx h LEU 1004Cb 0.69 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1qvx h LEU 1004CO 0.15 0.45 0.12 0.00 0.09 0.00 0.00 178.44 179.25 1qvx h ALA 1005N 0.73 0.26 0.00 1.53 0.00 -1.44 0.20 119.26 120.54 1qvx h ALA 1005Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qvx h ALA 1005Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qvx h ALA 1005CO 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1qvx n GLN 1006N -4.92 0.23 0.07 0.00 -0.00 -1.04 -1.24 117.38 110.48 1qvx n GLN 1006Ca -0.03 0.25 -0.22 0.00 -0.00 0.00 0.00 57.00 57.00 1qvx n GLN 1006Cb 0.05 -1.80 -0.15 0.00 -0.00 0.00 0.00 30.24 28.34 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1qvx h GLN 1007N 0.00 0.36 -0.52 2.61 5.75 0.89 -3.34 115.11 120.86 1qvx h GLN 1007Ca 0.00 -0.62 -0.15 0.00 -0.15 0.00 0.00 58.65 57.73 1qvx h GLN 1007Cb 0.64 0.23 -0.09 0.00 1.07 0.00 0.00 27.48 29.34 1qvx h GLN 1007CO 0.00 1.30 0.12 0.66 -2.65 0.00 0.00 178.83 178.26 1qvx n TYR 1008N -3.98 1.73 -1.47 3.99 4.01 0.64 -4.92 117.16 117.15 1qvx n TYR 1008Ca -0.16 -1.19 -0.13 0.00 -0.16 0.00 0.00 57.90 56.26 1qvx n TYR 1008Cb 0.91 -0.54 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1qvx n VAL 1009N -0.47 0.00 -3.31 -0.72 3.14 -0.37 -3.59 118.33 113.01 1qvx n VAL 1009Ca 0.34 -0.37 -0.07 0.00 -2.96 0.00 0.00 64.34 61.27 1qvx n VAL 1009Cb 1.17 -1.29 -0.06 0.00 -1.06 0.00 0.00 33.84 32.59 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 7.87 0.40 0.00 1.45 0.00 -1.26 -4.98 119.30 122.78 1qvx s MET 1010Ca 0.85 0.43 0.00 0.00 0.00 0.00 0.00 55.69 56.96 1qvx s MET 1010Cb -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 34.83 34.29 1qvx s MET 1010CO 0.20 -0.80 0.00 0.25 0.00 0.00 0.00 175.02 174.67 1qvx n THR 1011N 5.37 0.00 0.05 10.11 -2.24 -1.26 -1.16 114.28 125.15 1qvx n THR 1011Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1qvx n THR 1011Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 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 3.89 0.63 0.14 3.42 7.64 -1.26 -3.93 113.62 124.15 1qvx n SER 1012Ca 0.00 0.26 -0.01 0.00 1.01 0.00 0.00 58.87 60.13 1qvx n SER 1012Cb 0.00 0.72 0.20 0.00 -1.01 0.00 0.00 64.21 64.12 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1qvx h LEU 1013N 0.00 0.00 -0.20 -3.43 4.07 -1.46 -3.10 115.31 111.18 1qvx h LEU 1013Ca -0.08 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.91 1qvx h LEU 1013Cb 1.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 1qvx h LEU 1013CO 0.01 0.58 0.05 -0.61 -1.08 0.00 0.00 178.44 177.39 1qvx h GLN 1014N 0.00 0.13 -0.80 1.13 -0.00 -1.36 -3.07 115.11 111.14 1qvx h GLN 1014Ca -0.01 -0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.80 1qvx h GLN 1014Cb 1.04 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.43 1qvx h GLN 1014CO 0.08 0.09 0.53 1.96 0.00 0.00 0.00 178.83 181.49 1qvx h GLN 1015N 0.14 0.43 -0.06 1.69 7.50 -1.73 0.30 115.11 123.38 1qvx h GLN 1015Ca 0.09 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.24 1qvx h GLN 1015Cb 0.07 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.45 1qvx h GLN 1015CO -0.11 0.29 -0.52 1.49 -1.50 0.00 0.00 178.83 178.47 1qvx h GLU 1016N 0.44 -0.60 0.00 1.46 4.57 -1.68 0.50 114.58 119.28 1qvx h GLU 1016Ca 0.40 0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.53 1qvx h GLU 1016Cb 0.91 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1qvx h GLU 1016CO -0.14 -0.40 -0.45 1.88 -1.18 0.00 0.00 179.01 178.72 1qvx h TYR 1017N -0.62 0.00 -0.38 0.92 0.05 -0.83 0.33 116.97 116.45 1qvx h TYR 1017Ca 0.03 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1qvx h TYR 1017Cb 0.70 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 1qvx h TYR 1017CO -0.54 0.45 0.19 -0.22 -1.05 0.00 0.00 178.16 176.99 1qvx h LYS 1018N 0.00 0.37 0.16 4.88 3.64 -0.18 -2.94 116.57 122.50 1qvx h LYS 1018Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1qvx h LYS 1018Cb 0.80 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1qvx h LYS 1018CO 0.06 0.25 -0.08 0.87 -2.27 0.00 0.00 179.45 178.28 1qvx h LYS 1019N 0.38 -0.21 -0.44 1.90 1.79 0.22 -2.36 116.57 117.85 1qvx h LYS 1019Ca 0.16 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1qvx h LYS 1019Cb 0.07 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1qvx h LYS 1019CO -0.11 -0.10 0.22 0.37 -1.08 0.00 0.00 179.45 178.75 1qvx h GLN 1020N -1.05 0.44 0.00 3.15 4.15 -0.62 -1.21 115.11 119.97 1qvx h GLN 1020Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1qvx h GLN 1020Cb 0.20 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1qvx h GLN 1020CO 0.04 0.29 0.00 0.52 -1.93 0.00 0.00 178.83 177.75 1qvx h MET 1021N 0.45 0.00 -0.03 1.69 2.86 -1.66 -1.98 114.93 116.26 1qvx h MET 1021Ca 0.19 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.71 1qvx h MET 1021Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1qvx h MET 1021CO -0.13 0.00 -0.54 1.25 1.06 0.00 0.00 176.91 178.55 1qvx h LEU 1022N 0.00 0.09 -0.77 1.22 5.85 -0.67 0.18 115.31 121.21 1qvx h LEU 1022Ca 0.00 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1qvx h LEU 1022Cb 0.65 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1qvx h LEU 1022CO 0.00 0.61 0.04 0.74 -0.34 0.00 0.00 178.44 179.49 1qvx h THR 1023N 0.06 1.26 -0.36 1.05 2.02 -0.94 0.36 112.91 116.35 1qvx h THR 1023Ca -0.00 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 1qvx h THR 1023Cb 0.98 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1qvx h THR 1023CO 0.07 0.38 -0.21 0.00 0.37 0.00 0.00 175.52 176.14 1qvx h ALA 1024N 1.13 0.97 -0.37 6.16 0.00 -1.25 -1.92 119.26 123.98 1qvx h ALA 1024Ca 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 1024Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qvx h ALA 1024CO 0.02 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.89 1qvx h ALA 1025N 1.16 1.35 -0.06 0.00 0.00 -0.11 -0.57 119.26 121.03 1qvx h ALA 1025Ca 0.09 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 1025Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qvx h ALA 1025CO 0.05 0.45 -0.40 1.25 0.00 0.00 0.00 179.25 180.60 1qvx h HIS 1026N 0.55 0.15 0.43 0.00 2.76 -0.64 -3.02 115.15 115.38 1qvx h HIS 1026Ca 0.12 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1qvx h HIS 1026Cb 0.32 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1qvx h HIS 1026CO 0.01 0.52 -0.21 0.00 -1.30 0.00 0.00 177.93 176.95 1qvx h ALA 1027N 1.48 -0.58 -0.33 5.26 0.00 -0.32 -1.31 119.26 123.48 1qvx h ALA 1027Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1qvx h ALA 1027Cb 0.76 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1qvx h ALA 1027CO 0.06 -0.79 0.07 1.25 0.00 0.00 0.00 179.25 179.83 1qvx h LEU 1028N -0.64 0.02 -1.69 0.00 6.46 -1.47 0.66 115.31 118.65 1qvx h LEU 1028Ca -0.06 0.05 0.16 0.00 -0.12 0.00 0.00 57.88 57.91 1qvx h LEU 1028Cb 0.48 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 1qvx h LEU 1028CO 0.10 0.05 0.48 0.00 -0.62 0.00 0.00 178.44 178.45 1qvx h ALA 1029N 1.24 2.24 0.18 1.25 0.00 -1.43 0.77 119.26 123.51 1qvx h ALA 1029Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 1qvx h ALA 1029Cb 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qvx h ALA 1029CO -0.20 -0.43 -1.64 0.28 0.00 0.00 0.00 179.25 177.26 1qvx h VAL 1030N 0.30 1.06 0.00 0.00 2.07 0.20 -2.96 116.25 116.92 1qvx h VAL 1030Ca 0.35 -2.64 -0.12 0.00 0.82 0.00 0.00 66.70 65.11 1qvx h VAL 1030Cb 0.93 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1qvx h VAL 1030CO -0.09 0.84 -0.59 0.44 0.02 0.00 0.00 177.57 178.19 1qvx h ASP 1031N 0.10 0.00 -0.03 0.57 3.32 0.89 0.14 116.42 121.40 1qvx h ASP 1031Ca -0.30 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.79 1qvx h ASP 1031Cb 2.09 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.58 1qvx h ASP 1031CO 0.19 0.59 -0.32 0.00 -1.72 0.00 0.00 179.24 177.98 1qvx h ALA 1032N 1.41 -0.44 -0.73 3.45 0.00 0.44 -1.15 119.26 122.25 1qvx h ALA 1032Ca -0.01 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1qvx h ALA 1032Cb 1.09 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1qvx h ALA 1032CO 0.08 -0.82 0.54 -0.22 0.00 0.00 0.00 179.25 178.83 1qvx h LYS 1033N -0.45 0.00 -0.08 0.00 3.11 -1.18 0.63 116.57 118.59 1qvx h LYS 1033Ca 0.07 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1qvx h LYS 1033Cb 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1qvx h LYS 1033CO -0.29 0.00 -0.03 -0.97 -2.81 0.00 0.00 179.45 175.35 1qvx h ASN 1034N 0.00 0.17 -0.03 4.20 -1.24 0.35 -2.60 115.58 116.44 1qvx h ASN 1034Ca 0.35 -0.40 -0.05 0.00 0.71 0.00 0.00 56.30 56.90 1qvx h ASN 1034Cb 1.43 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 1qvx h ASN 1034CO -0.00 0.54 -0.10 0.25 -1.29 0.00 0.00 177.43 176.82 1qvx h LEU 1035N -0.19 0.27 -1.79 0.34 5.85 -0.07 0.97 115.31 120.70 1qvx h LEU 1035Ca 0.02 -0.05 0.31 0.00 0.84 0.00 0.00 57.88 59.00 1qvx h LEU 1035Cb 0.47 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1qvx h LEU 1035CO 0.01 0.41 0.77 0.25 -0.34 0.00 0.00 178.44 179.54 1qvx h LEU 1036N 0.28 0.15 0.06 2.25 7.12 0.56 0.77 115.31 126.49 1qvx h LEU 1036Ca 0.06 0.03 -0.35 0.00 0.13 0.00 0.00 57.88 57.75 1qvx h LEU 1036Cb 0.36 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1qvx h LEU 1036CO 0.02 0.02 -2.03 -0.67 -0.13 0.00 0.00 178.44 175.66 1qvx n ASP 1037N -4.34 1.51 0.27 1.25 2.03 -0.45 -2.79 116.55 114.02 1qvx n ASP 1037Ca 0.25 0.20 -0.15 0.00 0.52 0.00 0.00 54.79 55.61 1qvx n ASP 1037Cb 1.10 -0.36 -0.08 0.00 -0.72 0.00 0.00 41.12 41.06 1qvx n ASP 1037CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1qvx h VAL 1038N 0.03 0.00 0.00 5.18 2.07 0.20 0.46 116.25 124.19 1qvx h VAL 1038Ca -0.42 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 1qvx h VAL 1038Cb 2.03 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1qvx h VAL 1038CO 0.05 0.00 -0.88 0.16 0.02 0.00 0.00 177.57 176.92 1qvx h ILE 1039N -0.85 1.47 -0.59 4.57 -0.00 0.13 0.75 117.51 123.00 1qvx h ILE 1039Ca -0.06 -2.57 0.15 0.00 -0.00 0.00 0.00 64.86 62.37 1qvx h ILE 1039Cb 0.72 2.44 -0.03 0.00 -0.00 0.00 0.00 36.82 39.95 1qvx h ILE 1039CO -0.01 0.75 0.41 -0.78 -0.00 0.00 0.00 178.15 178.53 1qvx h ASP 1040N 0.13 0.13 0.58 2.16 3.58 -1.53 0.53 116.42 122.00 1qvx h ASP 1040Ca -0.05 0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.18 1qvx h ASP 1040Cb 1.51 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 1qvx h ASP 1040CO 0.14 0.07 -1.00 1.56 -2.88 0.00 0.00 179.24 177.12 1qvx h GLN 1041N 0.14 0.24 -0.02 0.28 4.20 0.13 -3.12 115.11 116.96 1qvx h GLN 1041Ca 0.28 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1qvx h GLN 1041Cb 0.93 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1qvx h GLN 1041CO -0.04 1.06 -0.20 0.00 -0.67 0.00 0.00 178.83 178.98 1qvx h ALA 1042N 0.82 -0.24 -0.91 3.87 0.00 0.33 1.74 119.26 124.87 1qvx h ALA 1042Ca -0.07 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.09 1qvx h ALA 1042Cb 1.68 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.70 1qvx h ALA 1042CO 0.16 -0.69 0.37 -0.09 0.00 0.00 0.00 179.25 179.00 1qvx h ARG 1043N -0.31 0.32 0.00 0.00 1.12 -0.17 0.22 114.38 115.56 1qvx h ARG 1043Ca 0.07 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.73 1qvx h ARG 1043Cb 0.40 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 1qvx h ARG 1043CO -0.20 0.21 -0.87 1.25 -3.11 0.00 0.00 179.97 177.25 1qvx h LEU 1044N 0.33 0.00 -0.61 3.80 5.85 -0.86 -3.04 115.31 120.78 1qvx h LEU 1044Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1qvx h LEU 1044Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1qvx h LEU 1044CO -0.58 0.87 0.39 0.11 -0.34 0.00 0.00 178.44 178.89 1qvx h LYS 1045N 0.00 0.81 -0.52 1.25 1.79 0.48 0.32 116.57 120.70 1qvx h LYS 1045Ca -0.01 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1qvx h LYS 1045Cb 1.64 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 1qvx h LYS 1045CO 0.11 0.55 0.16 1.98 -1.08 0.00 0.00 179.45 181.18 1qvx h MET 1046N 0.82 0.77 -0.00 3.15 4.05 -0.70 0.23 114.93 123.24 1qvx h MET 1046Ca 0.22 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1qvx h MET 1046Cb -0.07 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1qvx h MET 1046CO -0.05 0.67 0.00 0.82 0.23 0.00 0.00 176.91 178.58 1qvx h ILE 1047N 0.75 1.09 -1.00 1.77 1.08 -1.20 -2.39 117.51 117.61 1qvx h ILE 1047Ca 0.17 -0.25 0.17 0.00 -0.39 0.00 0.00 64.86 64.56 1qvx h ILE 1047Cb 0.22 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 35.12 1qvx h ILE 1047CO -0.01 0.07 0.62 -1.28 -0.69 0.00 0.00 178.15 176.85 1qvx h SER 1048N -0.10 0.83 0.19 1.72 0.87 0.65 -2.60 113.55 115.11 1qvx h SER 1048Ca 0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1qvx h SER 1048Cb 0.11 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1qvx h SER 1048CO -0.00 0.35 -0.09 -0.61 -0.53 0.00 0.00 176.83 175.95 1qvx h GLN 1049N 0.84 -0.24 0.00 2.24 5.75 -0.86 -3.45 115.11 119.39 1qvx h GLN 1049Ca 0.55 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.07 1qvx h GLN 1049Cb 0.76 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.36 1qvx h GLN 1049CO -0.34 -0.16 0.00 0.43 -2.65 0.00 0.00 178.83 176.11 1qvx n SER 1050N -2.75 0.00 -3.29 -0.69 7.64 -1.16 -5.05 113.62 108.32 1qvx n SER 1050Ca -0.03 -0.98 -0.11 0.00 1.01 0.00 0.00 58.87 58.76 1qvx n SER 1050Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1qvx n SER 1050CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qvx n ARG 1051N 0.00 -1.54 -0.68 1.43 3.00 -0.91 -4.85 116.66 113.11 1qvx n ARG 1051Ca 0.00 1.34 -0.06 0.00 -0.00 0.00 0.00 57.85 59.13 1qvx n ARG 1051Cb 0.39 -4.47 -0.02 0.00 0.00 0.00 0.00 32.46 28.36 1qvx n ARG 1051CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1qvx n PRO 1052N -1.77 1.34 0.00 -0.14 -0.02 -1.26 -5.04 135.00 128.11 1qvx n PRO 1052Ca -0.09 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 1qvx n PRO 1052Cb 0.57 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06