#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 5.56 -3.50 6.15 7.64 -1.26 -4.78 113.62 123.43 1qvx n SER 921 Ca 0.00 -2.63 -0.19 0.00 1.01 0.00 0.00 58.87 57.06 1qvx n SER 921 Cb 0.00 -1.31 0.01 0.00 -1.01 0.00 0.00 64.21 61.90 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qvx n ASN 922 N 1.89 -5.92 -3.33 6.43 4.13 -1.26 -4.93 115.26 112.26 1qvx n ASN 922 Ca 0.35 -0.52 -0.05 0.00 1.68 0.00 0.00 54.58 56.04 1qvx n ASN 922 Cb 0.75 -2.87 0.04 0.00 -1.54 0.00 0.00 39.78 36.17 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qvx n ASP 923 N -1.92 -1.68 0.09 6.41 -0.08 -1.26 -3.66 116.55 114.45 1qvx n ASP 923 Ca -0.18 -0.13 0.15 0.00 -1.51 0.00 0.00 54.79 53.12 1qvx n ASP 923 Cb 0.63 -0.35 0.33 0.00 2.34 0.00 0.00 41.12 44.07 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 -0.03 -0.67 3.11 -1.99 0.45 116.57 117.44 1qvx h LYS 924 Ca -0.06 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1qvx h LYS 924 Cb 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1qvx h LYS 924 CO 0.04 0.00 -0.12 -0.39 -2.81 0.00 0.00 179.45 176.17 1qvx h VAL 925 N 0.00 0.70 0.05 2.00 -1.51 -1.88 -1.02 116.25 114.58 1qvx h VAL 925 Ca 0.22 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.46 1qvx h VAL 925 Cb 2.17 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1qvx h VAL 925 CO -0.00 0.00 -1.04 0.22 -1.23 0.00 0.00 177.57 175.52 1qvx h TYR 926 N -0.18 0.46 -0.07 5.19 5.03 -0.17 -3.13 116.97 124.10 1qvx h TYR 926 Ca 0.05 -0.28 -0.00 0.00 2.58 0.00 0.00 58.73 61.08 1qvx h TYR 926 Cb 0.26 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.49 1qvx h TYR 926 CO -0.19 1.15 0.04 1.49 -1.32 0.00 0.00 178.16 179.32 1qvx h GLU 927 N 0.13 0.09 -0.33 1.82 4.81 -1.43 -0.84 114.58 118.83 1qvx h GLU 927 Ca -0.09 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 1qvx h GLU 927 Cb 1.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 1qvx h GLU 927 CO 0.17 0.15 -0.38 -0.97 -0.73 0.00 0.00 179.01 177.25 1qvx h ASN 928 N 0.02 0.84 0.31 1.04 -0.00 -1.27 -1.21 115.58 115.31 1qvx h ASN 928 Ca 0.02 -0.37 -0.06 0.00 -0.00 0.00 0.00 56.30 55.89 1qvx h ASN 928 Cb 0.08 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 1qvx h ASN 928 CO -0.00 1.12 -0.29 0.58 -0.00 0.00 0.00 177.43 178.83 1qvx h VAL 929 N 0.65 1.18 -0.88 2.57 2.07 -1.46 0.32 116.25 120.70 1qvx h VAL 929 Ca 0.06 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1qvx h VAL 929 Cb 0.93 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1qvx h VAL 929 CO 0.09 0.28 0.48 0.74 0.02 0.00 0.00 177.57 179.18 1qvx h THR 930 N 0.00 1.26 -0.15 2.57 2.02 -0.66 -1.43 112.91 116.51 1qvx h THR 930 Ca -0.00 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1qvx h THR 930 Cb 0.52 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1qvx h THR 930 CO 0.04 0.29 0.13 1.23 0.37 0.00 0.00 175.52 177.58 1qvx h GLY 931 N 1.23 0.00 1.01 2.16 0.00 0.76 0.97 103.07 109.20 1qvx h GLY 931 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 1qvx h GLY 931 CO -0.05 0.00 0.18 1.41 0.00 0.00 0.00 176.54 178.08 1qvx h LEU 932 N 0.00 0.89 -0.62 3.11 4.07 0.09 0.27 115.31 123.12 1qvx h LEU 932 Ca 0.07 -0.21 -0.15 0.00 0.08 0.00 0.00 57.88 57.67 1qvx h LEU 932 Cb 0.32 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1qvx h LEU 932 CO -0.00 0.87 -0.50 0.58 -1.08 0.00 0.00 178.44 178.31 1qvx h VAL 933 N 0.87 1.32 0.00 1.22 2.07 -1.05 -1.83 116.25 118.86 1qvx h VAL 933 Ca 0.19 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1qvx h VAL 933 Cb 0.30 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1qvx h VAL 933 CO -0.00 0.53 0.00 0.11 0.02 0.00 0.00 177.57 178.23 1qvx h LYS 934 N 0.39 0.00 0.00 1.57 1.79 -0.47 0.57 116.57 120.42 1qvx h LYS 934 Ca 0.02 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1qvx h LYS 934 Cb 1.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1qvx h LYS 934 CO 0.09 0.00 -0.89 0.00 -1.08 0.00 0.00 179.45 177.57 1qvx h ALA 935 N 2.03 0.61 0.00 3.86 0.00 0.31 -2.68 119.26 123.38 1qvx h ALA 935 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1qvx h ALA 935 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 935 CO 0.00 0.88 -0.61 -0.24 0.00 0.00 0.00 179.25 179.28 1qvx h VAL 936 N 0.00 0.00 -0.01 0.00 3.04 -0.56 -2.03 116.25 116.70 1qvx h VAL 936 Ca -0.06 -0.51 -0.18 0.00 -1.01 0.00 0.00 66.70 64.94 1qvx h VAL 936 Cb 1.55 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.92 1qvx h VAL 936 CO 0.08 0.00 -0.81 0.16 -1.01 0.00 0.00 177.57 175.99 1qvx h ILE 937 N 0.00 1.50 -0.61 3.17 3.07 -0.97 -1.19 117.51 122.48 1qvx h ILE 937 Ca 0.00 -2.55 0.06 0.00 1.55 0.00 0.00 64.86 63.92 1qvx h ILE 937 Cb 0.75 2.40 -0.06 0.00 -0.27 0.00 0.00 36.82 39.65 1qvx h ILE 937 CO 0.00 0.74 0.31 -0.33 -1.05 0.00 0.00 178.15 177.82 1qvx h GLU 938 N 0.08 0.56 -0.92 0.16 4.39 -1.31 0.75 114.58 118.29 1qvx h GLU 938 Ca -0.03 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 938 Cb 1.41 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 1qvx h GLU 938 CO 0.12 0.37 0.60 1.98 -1.16 0.00 0.00 179.01 180.92 1qvx h MET 939 N 0.57 1.14 -0.47 2.33 4.05 -0.99 0.62 114.93 122.19 1qvx h MET 939 Ca 0.28 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1qvx h MET 939 Cb 0.22 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1qvx h MET 939 CO -0.20 0.76 -0.16 0.77 0.23 0.00 0.00 176.91 178.31 1qvx h SER 940 N 1.18 0.94 0.01 1.39 0.02 -0.54 -2.74 113.55 113.82 1qvx h SER 940 Ca 0.35 -0.38 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1qvx h SER 940 Cb -0.04 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.26 1qvx h SER 940 CO -0.10 1.11 -0.91 -1.28 -1.14 0.00 0.00 176.83 174.51 1qvx h SER 941 N 0.77 0.78 -0.48 3.07 0.87 0.00 -2.97 113.55 115.60 1qvx h SER 941 Ca 0.11 -0.75 0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1qvx h SER 941 Cb 0.72 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.34 1qvx h SER 941 CO 0.05 1.44 -0.32 0.11 -0.53 0.00 0.00 176.83 177.59 1qvx h LYS 942 N 0.22 -0.19 0.00 2.24 1.79 0.20 -1.22 116.57 119.61 1qvx h LYS 942 Ca -0.12 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1qvx h LYS 942 Cb 1.58 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1qvx h LYS 942 CO 0.18 -0.13 -0.08 0.97 -1.08 0.00 0.00 179.45 179.30 1qvx h ILE 943 N -0.20 0.21 0.34 1.86 2.10 -1.49 -2.75 117.51 117.58 1qvx h ILE 943 Ca 0.20 -0.77 -0.01 0.00 1.08 0.00 0.00 64.86 65.37 1qvx h ILE 943 Cb 0.54 1.63 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1qvx h ILE 943 CO -0.60 0.08 -0.36 1.56 -1.08 0.00 0.00 178.15 177.76 1qvx h GLN 944 N 0.00 -0.68 -0.01 2.19 1.08 -1.05 -3.30 115.11 113.34 1qvx h GLN 944 Ca -0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1qvx h GLN 944 Cb 0.63 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1qvx h GLN 944 CO 0.01 -0.45 -0.53 -0.35 -0.95 0.00 0.00 178.83 176.56 1qvx n PRO 945 N -4.57 0.98 -4.21 1.46 -0.04 -1.24 -4.98 135.00 122.40 1qvx n PRO 945 Ca -0.08 -0.79 -0.29 0.00 -0.04 0.00 0.00 63.50 62.30 1qvx n PRO 945 Cb 0.33 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.56 3.09 1.02 0.55 0.00 -1.04 -5.13 121.76 117.68 1qvx s ALA 946 Ca 0.18 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1qvx s ALA 946 Cb 0.18 -0.96 0.16 0.00 0.00 0.00 0.00 23.12 22.49 1qvx s ALA 946 CO 0.61 0.60 0.88 -0.35 0.00 0.00 0.00 175.76 177.50 1qvx n PRO 947 N 0.39 -1.07 0.07 0.00 -0.04 -1.26 -4.63 135.00 128.46 1qvx n PRO 947 Ca -0.12 -1.36 0.21 0.00 -0.04 0.00 0.00 63.50 62.19 1qvx n PRO 947 Cb 0.53 -0.95 0.72 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 -0.37 0.54 0.11 -1.97 0.33 132.00 130.64 1qvx h PRO 948 Ca -0.29 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.91 1qvx h PRO 948 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1qvx h PRO 948 CO 0.20 0.00 0.26 0.93 -0.21 0.00 0.00 178.00 179.18 1qvx h GLU 949 N 0.00 0.08 -0.02 1.05 4.39 -1.98 0.31 114.58 118.41 1qvx h GLU 949 Ca 0.22 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1qvx h GLU 949 Cb 1.22 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1qvx h GLU 949 CO -0.00 0.05 -0.09 0.39 -1.16 0.00 0.00 179.01 178.20 1qvx n GLU 950 N -4.45 1.95 -0.35 2.33 4.71 0.11 -3.95 120.64 120.99 1qvx n GLU 950 Ca 0.05 -1.52 0.01 0.00 -0.01 0.00 0.00 57.16 55.70 1qvx n GLU 950 Cb 0.39 -1.47 0.16 0.00 -1.01 0.00 0.00 31.44 29.50 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 3.72 1.13 0.06 -0.32 -1.99 -0.15 0.31 116.97 119.72 1qvx h TYR 951 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 1qvx h TYR 951 Cb 0.84 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1qvx h TYR 951 CO 0.00 0.59 -0.03 -0.24 -0.00 0.00 0.00 178.16 178.48 1qvx h VAL 952 N 1.11 1.21 -0.87 -2.88 3.04 -1.68 -3.13 116.25 113.06 1qvx h VAL 952 Ca 0.40 -1.51 0.23 0.00 -1.01 0.00 0.00 66.70 64.81 1qvx h VAL 952 Cb 0.14 2.11 -0.05 0.00 -2.01 0.00 0.00 31.29 31.48 1qvx h VAL 952 CO -0.16 0.35 0.60 -0.65 -1.01 0.00 0.00 177.57 176.69 1qvx h PRO 953 N -0.83 0.18 -0.26 4.17 0.11 -1.67 0.97 132.00 134.67 1qvx h PRO 953 Ca -0.01 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1qvx h PRO 953 Cb 0.63 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1qvx h PRO 953 CO 0.01 0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 177.79 1qvx h MET 954 N 0.19 0.54 0.00 1.05 -0.00 -0.45 -0.63 114.93 115.63 1qvx h MET 954 Ca 0.43 -0.24 -0.04 0.00 -0.00 0.00 0.00 59.70 59.85 1qvx h MET 954 Cb 1.41 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.99 1qvx h MET 954 CO -0.09 0.81 -0.20 0.28 -0.00 0.00 0.00 176.91 177.71 1qvx h VAL 955 N 0.27 0.79 -0.72 -0.10 2.07 -1.36 -1.95 116.25 115.26 1qvx h VAL 955 Ca 0.06 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qvx h VAL 955 Cb 0.65 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1qvx h VAL 955 CO 0.04 0.20 0.47 0.50 0.02 0.00 0.00 177.57 178.80 1qvx h LYS 956 N 0.00 0.91 -0.42 1.57 3.11 0.19 0.27 116.57 122.21 1qvx h LYS 956 Ca -0.00 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.84 1qvx h LYS 956 Cb 0.47 -0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 31.44 1qvx h LYS 956 CO 0.03 0.60 0.13 0.93 -2.81 0.00 0.00 179.45 178.33 1qvx h GLU 957 N 0.94 0.28 0.00 1.90 4.39 -0.34 0.17 114.58 121.92 1qvx h GLU 957 Ca 0.27 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1qvx h GLU 957 Cb -0.07 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1qvx h GLU 957 CO -0.06 0.19 -0.14 -0.39 -1.16 0.00 0.00 179.01 177.44 1qvx h VAL 958 N 0.29 0.31 -0.22 3.13 -1.51 -1.20 -2.39 116.25 114.67 1qvx h VAL 958 Ca 0.19 -1.04 -0.12 0.00 -1.23 0.00 0.00 66.70 64.51 1qvx h VAL 958 Cb 0.19 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1qvx h VAL 958 CO -0.21 0.14 -0.32 1.23 -1.23 0.00 0.00 177.57 177.18 1qvx h GLY 959 N 2.64 0.65 2.00 5.19 0.00 0.55 -2.23 103.07 111.87 1qvx h GLY 959 Ca -0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1qvx h GLY 959 CO 0.02 0.65 -0.00 -2.00 0.00 0.00 0.00 176.54 175.20 1qvx h LEU 960 N 0.28 0.00 0.52 3.11 5.85 -0.56 -1.46 115.31 123.05 1qvx h LEU 960 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1qvx h LEU 960 Cb 0.90 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.93 1qvx h LEU 960 CO 0.07 0.00 -0.25 0.00 -0.34 0.00 0.00 178.44 177.93 1qvx h ALA 961 N 2.00 -0.70 -0.73 1.25 0.00 -0.88 0.23 119.26 120.42 1qvx h ALA 961 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 961 Cb 0.02 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 961 CO 0.00 -0.79 0.32 1.25 0.00 0.00 0.00 179.25 180.03 1qvx h LEU 962 N -0.90 0.97 0.11 0.00 5.85 -1.26 0.29 115.31 120.38 1qvx h LEU 962 Ca -0.07 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1qvx h LEU 962 Cb 0.61 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1qvx h LEU 962 CO 0.12 0.84 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.58 1qvx h ARG 963 N 1.05 -0.55 -0.81 1.25 9.65 -1.17 0.15 114.38 123.95 1qvx h ARG 963 Ca 0.25 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.26 1qvx h ARG 963 Cb 0.15 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 1qvx h ARG 963 CO -0.03 -0.37 0.53 1.79 2.80 0.00 0.00 179.97 184.69 1qvx h THR 964 N -0.57 0.95 -0.52 0.20 1.35 -0.37 0.60 112.91 114.55 1qvx h THR 964 Ca -0.01 -0.26 0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1qvx h THR 964 Cb 0.57 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 1qvx h THR 964 CO -0.20 0.14 0.35 0.25 -0.25 0.00 0.00 175.52 175.80 1qvx h LEU 965 N 0.76 0.43 -1.25 3.87 5.85 0.19 -1.58 115.31 123.57 1qvx h LEU 965 Ca 0.37 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 1qvx h LEU 965 Cb 0.43 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1qvx h LEU 965 CO -0.14 0.29 -0.21 0.25 -0.34 0.00 0.00 178.44 178.28 1qvx h LEU 966 N 0.50 0.00 -0.79 2.25 6.46 0.17 0.73 115.31 124.62 1qvx h LEU 966 Ca 0.22 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1qvx h LEU 966 Cb 0.25 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1qvx h LEU 966 CO -0.06 0.21 0.30 0.00 -0.62 0.00 0.00 178.44 178.27 1qvx h ALA 967 N 1.79 1.03 -0.33 1.25 0.00 -1.22 -2.00 119.26 119.78 1qvx h ALA 967 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1qvx h ALA 967 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 967 CO 0.03 0.67 -0.27 1.15 0.00 0.00 0.00 179.25 180.83 1qvx h THR 968 N 1.16 1.29 0.00 0.00 2.02 -0.63 -2.92 112.91 113.83 1qvx h THR 968 Ca 0.26 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1qvx h THR 968 Cb 0.24 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1qvx h THR 968 CO -0.02 0.47 -0.08 -0.37 0.37 0.00 0.00 175.52 175.89 1qvx h VAL 969 N 0.54 0.69 0.00 3.16 -1.51 0.43 0.25 116.25 119.81 1qvx h VAL 969 Ca 0.06 -0.31 -0.04 0.00 -1.23 0.00 0.00 66.70 65.18 1qvx h VAL 969 Cb 0.84 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1qvx h VAL 969 CO 0.07 0.08 -0.19 -0.78 -1.23 0.00 0.00 177.57 175.51 1qvx h ASP 970 N 0.00 0.00 -0.00 4.19 3.58 -1.18 0.84 116.42 123.85 1qvx h ASP 970 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qvx h ASP 970 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1qvx h ASP 970 CO 0.01 0.19 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.23 1qvx h GLU 971 N 0.00 0.00 0.00 0.28 4.39 -0.53 -3.26 114.58 115.47 1qvx h GLU 971 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 971 Cb 0.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1qvx h GLU 971 CO 0.02 0.73 -0.13 0.66 -1.16 0.00 0.00 179.01 179.14 1qvx h SER 972 N -0.72 0.00 0.20 1.42 4.64 -0.57 -3.21 113.55 115.31 1qvx h SER 972 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1qvx h SER 972 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1qvx h SER 972 CO 0.00 0.13 -0.12 0.25 -0.87 0.00 0.00 176.83 176.22 1qvx h LEU 973 N 0.00 -0.29 -2.23 5.97 6.46 0.68 0.49 115.31 126.39 1qvx h LEU 973 Ca -0.00 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1qvx h LEU 973 Cb 0.29 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1qvx h LEU 973 CO 0.02 -0.19 0.18 -0.65 -0.62 0.00 0.00 178.44 177.17 1qvx h PRO 974 N -0.30 0.00 0.00 5.25 0.11 -1.66 0.25 132.00 135.65 1qvx h PRO 974 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1qvx h PRO 974 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1qvx h PRO 974 CO 0.02 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.09 1qvx h VAL 975 N 0.00 0.00 0.18 3.15 2.07 -0.66 -3.18 116.25 117.81 1qvx h VAL 975 Ca 0.08 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1qvx h VAL 975 Cb 0.43 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1qvx h VAL 975 CO -0.00 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.06 1qvx h LEU 976 N 0.00 -1.34 -1.17 2.57 4.07 0.34 0.52 115.31 120.29 1qvx h LEU 976 Ca 0.00 0.14 0.12 0.00 0.08 0.00 0.00 57.88 58.22 1qvx h LEU 976 Cb 0.88 0.49 -0.07 0.00 1.08 0.00 0.00 40.66 43.04 1qvx h LEU 976 CO 0.00 -0.53 0.59 -0.65 -1.08 0.00 0.00 178.44 176.77 1qvx h PRO 977 N -0.73 0.82 -0.10 1.13 0.11 -1.63 -1.55 132.00 130.05 1qvx h PRO 977 Ca 0.00 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1qvx h PRO 977 Cb 0.73 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1qvx h PRO 977 CO -0.23 0.54 -0.04 0.00 -0.21 0.00 0.00 178.00 178.07 1qvx h ALA 978 N 1.57 0.05 0.00 -0.75 0.00 -1.31 -3.46 119.26 115.36 1qvx h ALA 978 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1qvx h ALA 978 Cb 0.55 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qvx h ALA 978 CO -0.22 -0.50 0.00 0.45 0.00 0.00 0.00 179.25 178.98 1qvx n SER 979 N -5.16 0.00 0.29 0.00 2.88 0.11 -4.79 113.62 106.95 1qvx n SER 979 Ca -0.05 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.64 1qvx n SER 979 Cb 0.09 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.26 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1qvx h THR 980 N 0.00 0.06 -0.01 2.46 2.02 -0.05 -2.56 112.91 114.83 1qvx h THR 980 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qvx h THR 980 Cb 0.00 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1qvx h THR 980 CO 0.00 0.00 0.36 -0.74 0.37 0.00 0.00 175.52 175.51 1qvx h HIS 981 N 0.00 0.00 0.03 3.16 2.76 -1.49 0.14 115.15 119.75 1qvx h HIS 981 Ca 0.04 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1qvx h HIS 981 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1qvx h HIS 981 CO 0.00 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.62 1qvx h ARG 982 N 0.00 -0.03 0.35 5.26 3.08 -1.75 -3.23 114.38 118.07 1qvx h ARG 982 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1qvx h ARG 982 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1qvx h ARG 982 CO -0.00 0.68 -0.17 1.49 -1.07 0.00 0.00 179.97 180.90 1qvx h GLU 983 N -0.88 -0.46 -0.32 0.04 4.22 -1.08 -3.08 114.58 113.02 1qvx h GLU 983 Ca -0.00 0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 1qvx h GLU 983 Cb 0.73 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1qvx h GLU 983 CO 0.01 -0.16 0.00 0.97 -2.18 0.00 0.00 179.01 177.65 1qvx h ILE 984 N -0.76 1.19 -0.46 2.32 6.09 -1.03 0.66 117.51 125.51 1qvx h ILE 984 Ca -0.05 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1qvx h ILE 984 Cb 0.51 0.95 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1qvx h ILE 984 CO 0.08 0.25 0.30 -0.33 -3.07 0.00 0.00 178.15 175.39 1qvx h GLU 985 N 0.47 0.61 0.10 2.19 5.08 -1.65 -1.73 114.58 119.66 1qvx h GLU 985 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1qvx h GLU 985 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1qvx h GLU 985 CO 0.01 0.41 -0.05 0.00 -1.00 0.00 0.00 179.01 178.38 1qvx h MET 986 N 0.63 -0.12 0.09 2.33 -0.00 0.14 -3.07 114.93 114.92 1qvx h MET 986 Ca 0.17 0.01 -0.16 0.00 -0.00 0.00 0.00 59.70 59.72 1qvx h MET 986 Cb -0.07 0.03 0.02 0.00 -0.00 0.00 0.00 31.60 31.58 1qvx h MET 986 CO -0.04 0.40 -0.68 0.00 -0.00 0.00 0.00 176.91 176.59 1qvx h ALA 987 N -0.10 -0.04 -0.47 -3.00 0.00 -0.23 -2.32 119.26 113.10 1qvx h ALA 987 Ca -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1qvx h ALA 987 Cb 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1qvx h ALA 987 CO 0.02 0.33 0.18 0.37 0.00 0.00 0.00 179.25 180.15 1qvx h GLN 988 N -0.34 0.71 -0.10 0.00 5.75 -1.47 0.34 115.11 119.99 1qvx h GLN 988 Ca -0.11 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.17 1qvx h GLN 988 Cb 1.48 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 1qvx h GLN 988 CO 0.13 0.65 -0.33 -0.22 -2.65 0.00 0.00 178.83 176.41 1qvx h LYS 989 N 0.62 0.20 0.07 1.69 3.64 -1.60 0.90 116.57 122.09 1qvx h LYS 989 Ca 0.15 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1qvx h LYS 989 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1qvx h LYS 989 CO -0.01 0.51 -0.03 1.25 -2.27 0.00 0.00 179.45 178.90 1qvx h LEU 990 N 0.18 -0.08 -0.66 5.20 5.85 -0.79 -2.93 115.31 122.08 1qvx h LEU 990 Ca 0.02 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 1qvx h LEU 990 Cb 0.67 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1qvx h LEU 990 CO 0.05 0.16 -0.52 0.17 -0.34 0.00 0.00 178.44 177.96 1qvx h LEU 991 N -0.32 0.00 -0.82 2.25 8.10 -0.09 -1.88 115.31 122.56 1qvx h LEU 991 Ca -0.01 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.02 1qvx h LEU 991 Cb 0.28 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.44 1qvx h LEU 991 CO 0.02 0.52 0.51 -1.13 -4.11 0.00 0.00 178.44 174.25 1qvx h ASN 992 N 0.00 0.84 1.04 0.17 -1.24 -0.83 0.27 115.58 115.82 1qvx h ASN 992 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.85 1qvx h ASN 992 Cb 1.11 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.96 1qvx h ASN 992 CO 0.07 0.56 -0.74 0.28 -1.29 0.00 0.00 177.43 176.31 1qvx h SER 993 N 0.98 0.00 0.04 1.15 0.02 -1.25 -2.99 113.55 111.51 1qvx h SER 993 Ca 0.34 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.91 1qvx h SER 993 Cb 0.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1qvx h SER 993 CO -0.13 0.74 -2.15 0.47 -1.14 0.00 0.00 176.83 174.62 1qvx n ASP 994 N -3.42 2.01 -0.24 3.07 9.92 -0.75 -2.68 116.55 124.47 1qvx n ASP 994 Ca 0.00 0.14 0.02 0.00 -0.53 0.00 0.00 54.79 54.42 1qvx n ASP 994 Cb 0.79 -0.71 0.14 0.00 -0.64 0.00 0.00 41.12 40.69 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1qvx h LEU 995 N -0.29 0.37 -0.60 0.64 7.12 -0.66 -1.87 115.31 120.02 1qvx h LEU 995 Ca -0.52 0.07 0.09 0.00 0.13 0.00 0.00 57.88 57.66 1qvx h LEU 995 Cb 1.81 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 41.89 1qvx h LEU 995 CO -0.11 0.20 0.22 0.00 -0.13 0.00 0.00 178.44 178.63 1qvx h ALA 996 N 1.45 0.78 -0.44 1.25 0.00 -1.63 -0.75 119.26 119.91 1qvx h ALA 996 Ca 0.35 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1qvx h ALA 996 Cb 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 996 CO -0.30 -0.19 0.22 0.93 0.00 0.00 0.00 179.25 179.90 1qvx h GLU 997 N 0.40 0.61 -0.20 0.00 4.39 -1.13 -1.82 114.58 116.83 1qvx h GLU 997 Ca 0.30 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.81 1qvx h GLU 997 Cb 0.38 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1qvx h GLU 997 CO -0.31 0.48 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.55 1qvx h LEU 998 N 0.62 0.49 -0.32 1.33 -0.00 -0.65 0.32 115.31 117.10 1qvx h LEU 998 Ca 0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1qvx h LEU 998 Cb 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1qvx h LEU 998 CO -0.02 0.84 0.00 2.30 -0.00 0.00 0.00 178.44 181.56 1qvx n ILE 999 N -4.03 0.71 0.79 1.22 -5.35 -0.52 -0.16 119.36 112.02 1qvx n ILE 999 Ca -0.02 0.07 0.09 0.00 -0.27 0.00 0.00 62.75 62.63 1qvx n ILE 999 Cb 0.50 -0.91 0.01 0.00 -1.74 0.00 0.00 39.64 37.51 1qvx n ILE 999 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1qvx n ASN 1000N -2.04 1.91 0.02 7.28 0.23 -0.83 -2.94 115.26 118.90 1qvx n ASN 1000Ca 0.04 -1.45 -0.09 0.00 -0.53 0.00 0.00 54.58 52.55 1qvx n ASN 1000Cb 0.28 0.38 -0.13 0.00 -2.08 0.00 0.00 39.78 38.23 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1qvx h LYS 1001N 2.32 0.02 -0.15 -3.83 1.79 0.22 0.68 116.57 117.61 1qvx h LYS 1001Ca 0.00 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 1qvx h LYS 1001Cb 0.64 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1qvx h LYS 1001CO 0.00 0.75 -0.71 0.00 -1.08 0.00 0.00 179.45 178.41 1qvx h MET 1002N 0.01 0.67 0.34 3.15 -0.00 -0.70 0.38 114.93 118.78 1qvx h MET 1002Ca -0.18 -0.52 -0.02 0.00 -0.00 0.00 0.00 59.70 58.99 1qvx h MET 1002Cb 1.92 0.10 0.00 0.00 -0.00 0.00 0.00 31.60 33.62 1qvx h MET 1002CO 0.11 1.13 -0.16 -0.22 -0.00 0.00 0.00 176.91 177.77 1qvx h LYS 1003N 0.47 -0.43 -0.45 -0.10 1.63 -1.56 -1.08 116.57 115.04 1qvx h LYS 1003Ca -0.03 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1qvx h LYS 1003Cb 1.31 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.99 1qvx h LYS 1003CO 0.14 -0.20 0.17 -0.07 -3.45 0.00 0.00 179.45 176.05 1qvx h LEU 1004N -0.60 0.20 -0.30 5.20 3.38 0.44 0.86 115.31 124.49 1qvx h LEU 1004Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qvx h LEU 1004Cb 0.44 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1qvx h LEU 1004CO 0.08 0.15 0.19 0.00 0.09 0.00 0.00 178.44 178.94 1qvx h ALA 1005N 1.29 0.38 0.00 1.53 0.00 -0.23 0.19 119.26 122.42 1qvx h ALA 1005Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qvx h ALA 1005Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qvx h ALA 1005CO -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 178.91 1qvx n GLN 1006N -4.86 0.02 0.03 0.00 10.64 -0.41 -0.96 117.38 121.83 1qvx n GLN 1006Ca -0.01 0.12 -0.03 0.00 -1.83 0.00 0.00 57.00 55.25 1qvx n GLN 1006Cb 0.04 -1.53 -0.09 0.00 -0.86 0.00 0.00 30.24 27.80 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1qvx h GLN 1007N 0.00 0.00 -0.01 2.61 5.75 0.23 -3.34 115.11 120.35 1qvx h GLN 1007Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1qvx h GLN 1007Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1qvx h GLN 1007CO 0.00 0.40 0.00 0.98 -2.65 0.00 0.00 178.83 177.56 1qvx n TYR 1008N -2.99 0.04 -1.52 3.99 9.36 0.53 -5.02 117.16 121.55 1qvx n TYR 1008Ca -0.10 -0.98 -0.35 0.00 3.32 0.00 0.00 57.90 59.79 1qvx n TYR 1008Cb 0.90 -0.15 -0.13 0.00 -0.63 0.00 0.00 39.34 39.33 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N -1.37 -0.02 -3.76 2.97 3.14 -0.14 -4.06 118.33 115.10 1qvx n VAL 1009Ca 0.16 -0.31 -0.13 0.00 -2.96 0.00 0.00 64.34 61.10 1qvx n VAL 1009Cb 0.64 -1.08 -0.13 0.00 -1.06 0.00 0.00 33.84 32.21 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 8.52 0.22 0.27 1.45 0.00 -1.26 -4.95 119.30 123.54 1qvx s MET 1010Ca 1.23 0.42 -0.06 0.00 0.00 0.00 0.00 55.69 57.29 1qvx s MET 1010Cb -0.86 -0.02 0.51 0.00 0.00 0.00 0.00 34.83 34.46 1qvx s MET 1010CO 0.42 -0.11 1.59 1.79 0.00 0.00 0.00 175.02 178.71 1qvx h THR 1011N 5.42 0.13 0.00 10.11 1.35 -2.01 0.93 112.91 128.84 1qvx h THR 1011Ca -0.34 -0.01 -0.06 0.00 -0.55 0.00 0.00 66.41 65.45 1qvx h THR 1011Cb 1.17 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1qvx h THR 1011CO 0.38 0.00 -1.45 -1.20 -0.25 0.00 0.00 175.52 173.00 1qvx n SER 1012N -5.50 3.06 0.16 5.36 7.64 -1.26 -4.61 113.62 118.46 1qvx n SER 1012Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.12 1qvx n SER 1012Cb 0.55 1.09 0.07 0.00 -1.01 0.00 0.00 64.21 64.90 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 -1.79 -3.43 -0.00 -1.83 -3.31 115.31 104.94 1qvx h LEU 1013Ca -0.09 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 57.94 1qvx h LEU 1013Cb 0.87 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 1qvx h LEU 1013CO 0.01 0.24 0.44 -0.61 -0.00 0.00 0.00 178.44 178.52 1qvx h GLN 1014N 0.00 0.21 -0.77 1.13 -0.00 -0.96 -2.79 115.11 111.92 1qvx h GLN 1014Ca -0.02 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.75 1qvx h GLN 1014Cb 1.20 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.58 1qvx h GLN 1014CO 0.03 0.14 0.51 -0.56 0.00 0.00 0.00 178.83 178.95 1qvx h GLN 1015N 0.21 0.52 -0.28 1.69 3.07 -1.81 0.33 115.11 118.84 1qvx h GLN 1015Ca 0.31 -0.03 0.07 0.00 0.09 0.00 0.00 58.65 59.08 1qvx h GLN 1015Cb 0.91 -0.12 -0.07 0.00 0.08 0.00 0.00 27.48 28.28 1qvx h GLN 1015CO -0.06 0.34 -0.22 1.49 0.09 0.00 0.00 178.83 180.48 1qvx h GLU 1016N 0.54 -0.19 0.00 0.06 4.81 -1.79 0.35 114.58 118.36 1qvx h GLU 1016Ca 0.38 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1qvx h GLU 1016Cb 0.71 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1qvx h GLU 1016CO -0.14 -0.13 -0.09 1.88 -0.73 0.00 0.00 179.01 179.80 1qvx h TYR 1017N -0.20 0.00 -0.17 0.92 -1.99 -0.70 -2.64 116.97 112.19 1qvx h TYR 1017Ca 0.15 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.85 1qvx h TYR 1017Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1qvx h TYR 1017CO -0.39 0.09 -0.02 -0.22 -0.00 0.00 0.00 178.16 177.62 1qvx h LYS 1018N 0.00 0.32 0.00 4.88 3.64 0.56 0.82 116.57 126.79 1qvx h LYS 1018Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1qvx h LYS 1018Cb 0.82 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1qvx h LYS 1018CO 0.01 0.56 0.00 1.57 -2.27 0.00 0.00 179.45 179.32 1qvx h LYS 1019N 0.05 0.00 0.08 1.90 2.10 -0.29 0.30 116.57 120.72 1qvx h LYS 1019Ca 0.05 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.44 1qvx h LYS 1019Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1qvx h LYS 1019CO 0.01 0.00 -1.18 1.96 -2.00 0.00 0.00 179.45 178.24 1qvx h GLN 1020N 0.00 0.18 -0.27 0.07 4.20 -1.29 -1.78 115.11 116.22 1qvx h GLN 1020Ca 0.00 -0.31 -0.19 0.00 0.06 0.00 0.00 58.65 58.21 1qvx h GLN 1020Cb 0.67 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1qvx h GLN 1020CO 0.00 1.14 -0.59 1.98 -0.67 0.00 0.00 178.83 180.69 1qvx h MET 1021N 0.05 0.87 -0.08 1.46 4.05 -0.24 -2.50 114.93 118.53 1qvx h MET 1021Ca -0.10 -0.57 -0.01 0.00 -0.28 0.00 0.00 59.70 58.74 1qvx h MET 1021Cb 1.91 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.78 1qvx h MET 1021CO 0.18 1.21 0.02 1.25 0.23 0.00 0.00 176.91 179.79 1qvx h LEU 1022N 0.65 0.12 -1.48 3.39 5.85 -0.42 0.52 115.31 123.94 1qvx h LEU 1022Ca 0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1qvx h LEU 1022Cb 1.20 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1qvx h LEU 1022CO 0.13 0.33 0.07 0.74 -0.34 0.00 0.00 178.44 179.37 1qvx h THR 1023N -0.09 1.14 0.01 1.05 2.02 -1.40 -0.60 112.91 115.03 1qvx h THR 1023Ca 0.02 -0.48 -0.23 0.00 0.77 0.00 0.00 66.41 66.49 1qvx h THR 1023Cb 0.26 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1qvx h THR 1023CO 0.00 0.17 -0.97 0.00 0.37 0.00 0.00 175.52 175.10 1qvx h ALA 1024N 1.68 0.33 -0.60 6.16 0.00 -1.16 -2.98 119.26 122.68 1qvx h ALA 1024Ca 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1qvx h ALA 1024Cb 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1qvx h ALA 1024CO -0.00 0.81 0.31 0.00 0.00 0.00 0.00 179.25 180.36 1qvx h ALA 1025N 0.70 1.42 -0.47 0.00 0.00 0.95 0.10 119.26 121.96 1qvx h ALA 1025Ca -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1qvx h ALA 1025Cb 1.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1qvx h ALA 1025CO 0.17 0.47 0.11 1.25 0.00 0.00 0.00 179.25 181.25 1qvx h HIS 1026N 0.83 0.71 -0.22 0.00 2.76 -1.09 0.20 115.15 118.35 1qvx h HIS 1026Ca 0.21 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.19 1qvx h HIS 1026Cb 0.05 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.80 1qvx h HIS 1026CO 0.01 0.61 -0.41 0.00 -1.30 0.00 0.00 177.93 176.84 1qvx h ALA 1027N 1.45 0.34 -0.02 5.26 0.00 -0.89 -2.45 119.26 122.94 1qvx h ALA 1027Ca 0.15 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1qvx h ALA 1027Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 1027CO -0.00 0.45 -0.53 1.25 0.00 0.00 0.00 179.25 180.42 1qvx h LEU 1028N 0.36 0.07 -0.99 0.00 6.46 -0.68 -1.41 115.31 119.11 1qvx h LEU 1028Ca 0.01 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 1qvx h LEU 1028Cb 1.01 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.84 1qvx h LEU 1028CO 0.09 0.58 0.63 0.00 -0.62 0.00 0.00 178.44 179.12 1qvx h ALA 1029N 1.42 1.43 -0.20 1.25 0.00 -0.52 -0.85 119.26 121.80 1qvx h ALA 1029Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1qvx h ALA 1029Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1qvx h ALA 1029CO 0.07 0.31 -0.25 0.28 0.00 0.00 0.00 179.25 179.66 1qvx h VAL 1030N 1.06 1.26 -0.26 0.00 2.07 -0.79 -0.07 116.25 119.51 1qvx h VAL 1030Ca 0.46 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 1qvx h VAL 1030Cb 0.34 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1qvx h VAL 1030CO -0.22 0.38 -0.39 -2.24 0.02 0.00 0.00 177.57 175.11 1qvx h ASP 1031N 0.33 0.80 0.17 0.57 3.04 -0.39 0.39 116.42 121.34 1qvx h ASP 1031Ca 0.05 -0.51 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 1qvx h ASP 1031Cb 0.63 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 1qvx h ASP 1031CO 0.05 1.16 -0.08 0.00 -2.04 0.00 0.00 179.24 178.33 1qvx h ALA 1032N 0.67 -0.23 -0.99 4.15 0.00 -1.25 -2.68 119.26 118.93 1qvx h ALA 1032Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qvx h ALA 1032Cb 0.99 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1qvx h ALA 1032CO 0.09 -0.58 0.66 -0.22 0.00 0.00 0.00 179.25 179.19 1qvx h LYS 1033N -0.31 1.28 -0.04 0.00 3.64 -0.76 0.35 116.57 120.73 1qvx h LYS 1033Ca -0.02 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1qvx h LYS 1033Cb 0.24 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1qvx h LYS 1033CO 0.04 0.84 -0.02 -0.97 -2.27 0.00 0.00 179.45 177.07 1qvx h ASN 1034N 1.32 0.09 -0.20 4.20 -1.24 -0.23 -2.84 115.58 116.67 1qvx h ASN 1034Ca 0.38 -0.42 -0.11 0.00 0.71 0.00 0.00 56.30 56.86 1qvx h ASN 1034Cb -0.10 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1qvx h ASN 1034CO -0.09 0.49 -0.23 0.25 -1.29 0.00 0.00 177.43 176.56 1qvx h LEU 1035N -0.31 0.67 -0.81 0.34 7.12 -1.21 0.12 115.31 121.23 1qvx h LEU 1035Ca 0.01 -0.23 0.18 0.00 0.13 0.00 0.00 57.88 57.97 1qvx h LEU 1035Cb 0.46 -0.18 -0.11 0.00 -0.53 0.00 0.00 40.66 40.29 1qvx h LEU 1035CO 0.01 0.88 0.30 0.25 -0.13 0.00 0.00 178.44 179.75 1qvx h LEU 1036N 0.58 0.21 0.12 2.25 6.46 -0.23 0.91 115.31 125.61 1qvx h LEU 1036Ca 0.08 0.14 -0.34 0.00 -0.12 0.00 0.00 57.88 57.65 1qvx h LEU 1036Cb 0.70 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1qvx h LEU 1036CO 0.05 0.01 -1.81 -0.78 -0.62 0.00 0.00 178.44 175.29 1qvx h ASP 1037N 0.37 0.40 0.75 1.25 3.58 -1.15 -2.33 116.42 119.29 1qvx h ASP 1037Ca 0.48 -0.89 -0.14 0.00 0.42 0.00 0.00 57.03 56.89 1qvx h ASP 1037Cb 0.84 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1qvx h ASP 1037CO -0.50 1.78 -0.67 0.58 -2.88 0.00 0.00 179.24 177.56 1qvx h VAL 1038N -0.09 1.43 0.03 2.25 2.07 -0.54 0.25 116.25 121.65 1qvx h VAL 1038Ca -0.39 -2.35 -0.24 0.00 0.82 0.00 0.00 66.70 64.55 1qvx h VAL 1038Cb 1.93 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 1qvx h VAL 1038CO 0.07 0.66 -1.14 -0.29 0.02 0.00 0.00 177.57 176.88 1qvx h ILE 1039N 0.00 1.57 -0.98 4.57 2.10 0.68 0.48 117.51 125.93 1qvx h ILE 1039Ca -0.01 -3.26 0.16 0.00 1.08 0.00 0.00 64.86 62.84 1qvx h ILE 1039Cb 1.23 2.83 -0.09 0.00 -1.09 0.00 0.00 36.82 39.70 1qvx h ILE 1039CO 0.09 0.91 0.61 -0.78 -1.08 0.00 0.00 178.15 177.90 1qvx h ASP 1040N 0.02 0.76 1.19 2.19 3.58 -1.18 0.89 116.42 123.87 1qvx h ASP 1040Ca -0.07 0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 1qvx h ASP 1040Cb 1.85 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.80 1qvx h ASP 1040CO 0.14 0.34 -0.44 1.56 -2.88 0.00 0.00 179.24 177.96 1qvx h GLN 1041N 0.78 0.00 0.02 0.28 4.20 0.05 -2.24 115.11 118.21 1qvx h GLN 1041Ca 0.52 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.26 1qvx h GLN 1041Cb 0.78 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 1qvx h GLN 1041CO -0.29 0.44 -0.37 0.00 -0.67 0.00 0.00 178.83 177.94 1qvx h ALA 1042N 1.56 -0.58 0.00 3.87 0.00 0.23 1.72 119.26 126.07 1qvx h ALA 1042Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 1042Cb 1.15 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1qvx h ALA 1042CO 0.06 -0.90 -0.03 -0.09 0.00 0.00 0.00 179.25 178.29 1qvx h ARG 1043N -0.54 0.00 0.00 0.00 9.65 -1.14 0.79 114.38 123.15 1qvx h ARG 1043Ca 0.05 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1qvx h ARG 1043Cb 0.61 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1qvx h ARG 1043CO -0.28 0.03 -0.49 1.25 2.80 0.00 0.00 179.97 183.28 1qvx h LEU 1044N 0.00 0.00 -1.23 3.80 5.85 -0.73 -2.95 115.31 120.05 1qvx h LEU 1044Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 1044Cb 0.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1qvx h LEU 1044CO 0.00 0.49 0.21 0.11 -0.34 0.00 0.00 178.44 178.92 1qvx h LYS 1045N 0.00 0.74 -0.31 1.25 6.56 0.50 0.49 116.57 125.80 1qvx h LYS 1045Ca -0.00 -0.11 -0.12 0.00 -1.06 0.00 0.00 60.65 59.36 1qvx h LYS 1045Cb 1.30 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 1qvx h LYS 1045CO 0.06 0.61 -0.27 1.98 -2.06 0.00 0.00 179.45 179.77 1qvx h MET 1046N 0.74 0.74 -0.17 3.15 4.05 -1.29 -2.34 114.93 119.81 1qvx h MET 1046Ca 0.18 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1qvx h MET 1046Cb 0.14 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1qvx h MET 1046CO -0.02 0.99 0.08 0.82 0.23 0.00 0.00 176.91 179.02 1qvx h ILE 1047N 0.50 1.06 0.00 1.77 1.08 -1.18 -0.48 117.51 120.27 1qvx h ILE 1047Ca 0.05 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.30 1qvx h ILE 1047Cb 0.84 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1qvx h ILE 1047CO 0.07 0.07 -0.21 0.28 -0.69 0.00 0.00 178.15 177.68 1qvx h SER 1048N 0.23 0.00 0.77 1.72 0.02 0.48 0.28 113.55 117.05 1qvx h SER 1048Ca 0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 1qvx h SER 1048Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1qvx h SER 1048CO -0.01 0.21 -1.25 -0.61 -1.14 0.00 0.00 176.83 174.02 1qvx h GLN 1049N 0.00 0.07 0.00 3.45 4.15 -0.71 -3.28 115.11 118.78 1qvx h GLN 1049Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1qvx h GLN 1049Cb 0.40 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1qvx h GLN 1049CO 0.03 0.94 -0.25 1.03 -1.93 0.00 0.00 178.83 178.65 1qvx h SER 1050N 0.02 0.00 0.32 -0.69 0.87 -0.81 -3.38 113.55 109.88 1qvx h SER 1050Ca -0.12 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1qvx h SER 1050Cb 1.88 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.82 1qvx h SER 1050CO 0.13 0.01 -0.32 -0.09 -0.53 0.00 0.00 176.83 176.04 1qvx h ARG 1051N 0.00 -0.65 -0.51 2.24 2.43 -0.53 -2.65 114.38 114.71 1qvx h ARG 1051Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1qvx h ARG 1051Cb 0.89 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1qvx h ARG 1051CO 0.00 -0.43 0.00 -0.35 -1.51 0.00 0.00 179.97 177.68 1qvx n PRO 1052N -5.43 1.48 0.00 0.20 -0.05 -1.26 -5.11 135.00 124.83 1qvx n PRO 1052Ca -0.09 -0.51 0.12 0.00 -0.05 0.00 0.00 63.50 62.97 1qvx n PRO 1052Cb 0.34 -1.36 0.11 0.00 -0.05 0.00 0.00 33.50 32.54 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 175.50 177.03