#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 3.56 -3.99 2.89 3.41 -1.26 -4.86 113.62 113.37 1qvx n SER 921 Ca 0.00 -2.74 -0.33 0.00 -0.26 0.00 0.00 58.87 55.54 1qvx n SER 921 Cb 0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.29 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 -0.07 -2.16 -3.18 4.04 4.13 -1.26 -4.92 115.26 111.84 1qvx n ASN 922 Ca 0.26 -1.13 -0.04 0.00 1.68 0.00 0.00 54.58 55.35 1qvx n ASN 922 Cb 0.99 -2.53 0.03 0.00 -1.54 0.00 0.00 39.78 36.74 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qvx n ASP 923 N -2.70 -1.38 0.04 6.41 2.03 -1.26 -3.48 116.55 116.21 1qvx n ASP 923 Ca -0.22 -0.10 0.14 0.00 0.52 0.00 0.00 54.79 55.13 1qvx n ASP 923 Cb 0.64 -0.22 0.22 0.00 -0.72 0.00 0.00 41.12 41.03 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1qvx n LYS 924 N -0.51 0.02 0.09 -0.67 0.00 -1.26 0.42 118.16 116.25 1qvx n LYS 924 Ca 0.02 0.94 -0.12 0.00 0.00 0.00 0.00 58.31 59.15 1qvx n LYS 924 Cb 0.07 -2.43 -0.05 0.00 0.00 0.00 0.00 35.03 32.62 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 0.60 0.04 3.15 -1.51 -1.83 0.03 116.25 116.73 1qvx h VAL 925 Ca 0.25 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.49 1qvx h VAL 925 Cb 2.37 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1qvx h VAL 925 CO -0.00 0.00 -1.01 0.22 -1.23 0.00 0.00 177.57 175.55 1qvx h TYR 926 N -0.32 0.31 0.82 5.19 5.03 -0.06 -3.16 116.97 124.78 1qvx h TYR 926 Ca 0.03 -0.19 -0.04 0.00 2.58 0.00 0.00 58.73 61.11 1qvx h TYR 926 Cb 0.35 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.62 1qvx h TYR 926 CO -0.19 1.07 -0.39 1.49 -1.32 0.00 0.00 178.16 178.82 1qvx h GLU 927 N 0.08 -1.06 -0.06 1.82 4.81 -1.33 -1.18 114.58 117.67 1qvx h GLU 927 Ca -0.06 0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1qvx h GLU 927 Cb 1.69 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 1qvx h GLU 927 CO 0.15 -0.70 -0.61 -0.97 -0.73 0.00 0.00 179.01 176.16 1qvx h ASN 928 N -1.16 0.22 -0.32 1.04 -0.00 -1.10 0.27 115.58 114.52 1qvx h ASN 928 Ca -0.11 -0.13 -0.04 0.00 -0.00 0.00 0.00 56.30 56.02 1qvx h ASN 928 Cb 0.85 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.09 1qvx h ASN 928 CO 0.19 0.77 0.08 0.58 -0.00 0.00 0.00 177.43 179.05 1qvx h VAL 929 N 0.14 1.19 -0.61 2.57 2.07 -1.54 0.24 116.25 120.33 1qvx h VAL 929 Ca -0.01 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1qvx h VAL 929 Cb 1.10 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1qvx h VAL 929 CO 0.09 0.25 0.06 0.74 0.02 0.00 0.00 177.57 178.74 1qvx h THR 930 N 0.59 1.26 -0.19 2.57 2.02 -0.15 -2.46 112.91 116.56 1qvx h THR 930 Ca 0.13 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.32 1qvx h THR 930 Cb 0.26 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1qvx h THR 930 CO 0.00 0.39 0.14 1.23 0.37 0.00 0.00 175.52 177.64 1qvx h GLY 931 N 1.02 0.00 1.19 2.16 0.00 0.15 0.24 103.07 107.83 1qvx h GLY 931 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1qvx h GLY 931 CO 0.02 0.00 0.04 -2.00 0.00 0.00 0.00 176.54 174.60 1qvx h LEU 932 N 0.00 0.95 -0.48 3.11 5.85 -0.13 0.13 115.31 124.74 1qvx h LEU 932 Ca 0.09 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1qvx h LEU 932 Cb 0.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1qvx h LEU 932 CO -0.00 0.98 -0.14 0.58 -0.34 0.00 0.00 178.44 179.52 1qvx h VAL 933 N 0.91 1.27 -0.05 1.05 2.07 -0.77 -1.97 116.25 118.76 1qvx h VAL 933 Ca 0.18 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1qvx h VAL 933 Cb 0.47 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1qvx h VAL 933 CO 0.02 0.44 -0.06 0.11 0.02 0.00 0.00 177.57 178.11 1qvx h LYS 934 N 0.79 0.08 0.00 1.57 1.79 -0.27 -0.51 116.57 120.01 1qvx h LYS 934 Ca 0.12 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 1qvx h LYS 934 Cb 0.70 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1qvx h LYS 934 CO 0.05 0.14 -0.53 0.00 -1.08 0.00 0.00 179.45 178.04 1qvx h ALA 935 N 1.87 0.76 -0.00 3.86 0.00 -0.34 0.11 119.26 125.52 1qvx h ALA 935 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qvx h ALA 935 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qvx h ALA 935 CO 0.01 0.66 -0.13 1.55 0.00 0.00 0.00 179.25 181.34 1qvx n VAL 936 N -3.38 0.00 0.12 0.00 3.14 -0.62 -1.11 118.33 116.47 1qvx n VAL 936 Ca 0.01 -0.06 -0.22 0.00 -2.96 0.00 0.00 64.34 61.10 1qvx n VAL 936 Cb 0.67 -0.06 -0.15 0.00 -1.06 0.00 0.00 33.84 33.24 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 0.60 1.24 -0.99 1.55 2.04 -0.17 -2.93 117.51 118.85 1qvx h ILE 937 Ca 0.00 -2.74 0.16 0.00 1.00 0.00 0.00 64.86 63.27 1qvx h ILE 937 Cb 0.38 2.95 -0.10 0.00 -0.74 0.00 0.00 36.82 39.31 1qvx h ILE 937 CO 0.00 0.84 0.60 -0.33 0.00 0.00 0.00 178.15 179.26 1qvx h GLU 938 N 0.12 0.83 -0.53 2.37 4.39 -0.34 0.91 114.58 122.32 1qvx h GLU 938 Ca -0.25 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.42 1qvx h GLU 938 Cb 2.11 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 30.54 1qvx h GLU 938 CO 0.24 0.55 0.33 1.98 -1.16 0.00 0.00 179.01 180.94 1qvx h MET 939 N 0.85 0.65 0.00 2.33 1.85 -1.11 0.35 114.93 119.84 1qvx h MET 939 Ca 0.53 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 59.47 1qvx h MET 939 Cb 0.70 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 1qvx h MET 939 CO -0.33 0.43 -0.54 0.66 -0.40 0.00 0.00 176.91 176.73 1qvx h SER 940 N 0.67 0.00 0.10 1.39 4.64 -1.09 -0.33 113.55 118.94 1qvx h SER 940 Ca 0.21 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 1qvx h SER 940 Cb -0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1qvx h SER 940 CO -0.07 0.54 -0.70 0.77 -0.87 0.00 0.00 176.83 176.49 1qvx h SER 941 N 0.00 0.44 -0.80 4.97 4.64 -0.46 -2.90 113.55 119.43 1qvx h SER 941 Ca -0.01 -0.92 0.15 0.00 -0.47 0.00 0.00 61.79 60.55 1qvx h SER 941 Cb 1.14 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.99 1qvx h SER 941 CO 0.07 1.32 0.36 0.11 -0.87 0.00 0.00 176.83 177.82 1qvx h LYS 942 N -0.37 0.49 0.00 4.77 1.79 -0.32 -1.35 116.57 121.57 1qvx h LYS 942 Ca -0.12 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1qvx h LYS 942 Cb 1.52 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 1qvx h LYS 942 CO 0.13 0.32 -0.35 0.97 -1.08 0.00 0.00 179.45 179.44 1qvx h ILE 943 N 0.50 1.19 0.13 1.86 -0.00 -1.02 -2.21 117.51 117.96 1qvx h ILE 943 Ca 0.45 -1.24 0.02 0.00 -0.00 0.00 0.00 64.86 64.09 1qvx h ILE 943 Cb 0.68 1.68 -0.05 0.00 -0.00 0.00 0.00 36.82 39.13 1qvx h ILE 943 CO -0.40 0.35 -0.47 1.56 -0.00 0.00 0.00 178.15 179.19 1qvx h GLN 944 N 0.00 -0.68 -0.79 2.19 1.08 -1.03 -2.24 115.11 113.65 1qvx h GLN 944 Ca -0.00 0.05 -0.30 0.00 -1.45 0.00 0.00 58.65 56.94 1qvx h GLN 944 Cb 0.65 0.15 -0.18 0.00 -0.05 0.00 0.00 27.48 28.05 1qvx h GLN 944 CO 0.05 -0.45 0.37 -0.35 -0.95 0.00 0.00 178.83 177.49 1qvx n PRO 945 N -5.48 3.16 -2.85 1.46 -0.04 -1.22 -5.00 135.00 125.03 1qvx n PRO 945 Ca -0.08 -3.07 -0.42 0.00 -0.04 0.00 0.00 63.50 59.89 1qvx n PRO 945 Cb 0.40 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 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 -3.10 3.58 0.94 0.55 0.00 -0.83 -5.03 121.76 117.87 1qvx s ALA 946 Ca 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1qvx s ALA 946 Cb 0.45 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 20.40 1qvx s ALA 946 CO 0.12 -0.80 0.81 -0.35 0.00 0.00 0.00 175.76 175.53 1qvx n PRO 947 N 5.66 -0.66 -0.33 0.00 -0.04 -1.26 -4.90 135.00 133.47 1qvx n PRO 947 Ca 0.06 -1.37 0.10 0.00 -0.04 0.00 0.00 63.50 62.25 1qvx n PRO 947 Cb 0.48 -0.80 0.28 0.00 -0.04 0.00 0.00 33.50 33.42 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1qvx h PRO 948 N 0.00 0.69 0.00 0.54 0.13 -1.97 0.58 132.00 131.97 1qvx h PRO 948 Ca -0.26 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1qvx h PRO 948 Cb 0.76 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1qvx h PRO 948 CO 0.20 0.46 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 1qvx n GLU 949 N -4.81 0.06 -0.00 0.86 1.02 -1.26 -0.93 120.64 115.57 1qvx n GLU 949 Ca 0.20 0.28 0.06 0.00 -0.02 0.00 0.00 57.16 57.68 1qvx n GLU 949 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 1qvx n GLU 949 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qvx n GLU 950 N -1.37 1.21 -0.21 3.49 -0.58 0.16 -4.16 120.64 119.18 1qvx n GLU 950 Ca 0.03 -0.07 0.02 0.00 -0.42 0.00 0.00 57.16 56.71 1qvx n GLU 950 Cb 0.07 -1.20 0.26 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.00 0.92 0.01 -0.32 0.05 -0.63 0.13 116.97 117.12 1qvx h TYR 951 Ca 0.00 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1qvx h TYR 951 Cb 0.45 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1qvx h TYR 951 CO 0.00 0.56 -0.00 -0.24 -1.05 0.00 0.00 178.16 177.42 1qvx h VAL 952 N 0.97 1.59 -0.80 -2.88 3.04 -1.74 -3.18 116.25 113.26 1qvx h VAL 952 Ca 0.29 -1.88 0.09 0.00 -1.01 0.00 0.00 66.70 64.19 1qvx h VAL 952 Cb -0.04 2.85 -0.05 0.00 -2.01 0.00 0.00 31.29 32.04 1qvx h VAL 952 CO -0.07 0.48 0.52 -0.65 -1.01 0.00 0.00 177.57 176.84 1qvx h PRO 953 N -0.83 0.73 -0.25 4.17 0.11 -1.69 0.21 132.00 134.45 1qvx h PRO 953 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1qvx h PRO 953 Cb 0.79 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1qvx h PRO 953 CO 0.00 0.48 0.16 0.00 -0.21 0.00 0.00 178.00 178.44 1qvx h MET 954 N 0.75 0.33 0.00 1.05 -0.00 -0.85 0.12 114.93 116.33 1qvx h MET 954 Ca 0.37 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 60.00 1qvx h MET 954 Cb 0.42 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 1qvx h MET 954 CO -0.14 0.22 -0.21 0.28 -0.00 0.00 0.00 176.91 177.06 1qvx h VAL 955 N 0.33 0.97 -0.65 -0.10 2.07 -1.42 -2.29 116.25 115.16 1qvx h VAL 955 Ca 0.09 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1qvx h VAL 955 Cb -0.03 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1qvx h VAL 955 CO -0.02 0.21 0.30 0.50 0.02 0.00 0.00 177.57 178.58 1qvx h LYS 956 N 0.00 0.92 -0.44 1.57 1.63 0.16 0.10 116.57 120.51 1qvx h LYS 956 Ca -0.00 -0.12 0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1qvx h LYS 956 Cb 0.42 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 1qvx h LYS 956 CO 0.03 0.72 0.15 0.93 -3.45 0.00 0.00 179.45 177.82 1qvx h GLU 957 N 0.91 0.30 0.00 1.90 4.39 -0.27 0.25 114.58 122.06 1qvx h GLU 957 Ca 0.22 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 1qvx h GLU 957 Cb 0.11 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1qvx h GLU 957 CO -0.03 0.20 -0.55 -0.39 -1.16 0.00 0.00 179.01 177.08 1qvx h VAL 958 N 0.31 1.29 -0.08 3.13 -1.51 -1.30 -0.51 116.25 117.58 1qvx h VAL 958 Ca 0.21 -1.97 -0.11 0.00 -1.23 0.00 0.00 66.70 63.60 1qvx h VAL 958 Cb 0.21 2.09 0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1qvx h VAL 958 CO -0.22 0.54 -0.39 1.23 -1.23 0.00 0.00 177.57 177.50 1qvx h GLY 959 N 1.94 0.45 1.83 5.19 0.00 -0.18 -1.14 103.07 111.17 1qvx h GLY 959 Ca -0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1qvx h GLY 959 CO 0.07 0.57 0.02 1.41 0.00 0.00 0.00 176.54 178.60 1qvx h LEU 960 N -0.05 0.19 0.52 3.11 3.38 -0.56 -2.01 115.31 119.90 1qvx h LEU 960 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1qvx h LEU 960 Cb 1.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1qvx h LEU 960 CO 0.08 0.23 -0.25 0.00 0.09 0.00 0.00 178.44 178.59 1qvx h ALA 961 N 1.81 -0.70 -0.19 1.53 0.00 -0.71 0.45 119.26 121.45 1qvx h ALA 961 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 961 Cb 0.13 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1qvx h ALA 961 CO 0.00 -0.88 -0.17 1.25 0.00 0.00 0.00 179.25 179.45 1qvx h LEU 962 N -0.72 0.30 -0.09 0.00 6.46 -1.10 0.76 115.31 120.91 1qvx h LEU 962 Ca -0.07 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 1qvx h LEU 962 Cb 0.55 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1qvx h LEU 962 CO 0.12 0.49 0.02 0.03 -0.62 0.00 0.00 178.44 178.48 1qvx h ARG 963 N 0.29 0.15 -0.75 1.25 2.47 -1.16 0.26 114.38 116.89 1qvx h ARG 963 Ca 0.05 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1qvx h ARG 963 Cb 0.47 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 1qvx h ARG 963 CO 0.03 0.36 0.50 1.15 0.56 0.00 0.00 179.97 182.56 1qvx h THR 964 N -0.07 1.19 -0.14 2.04 2.02 0.26 -0.01 112.91 118.20 1qvx h THR 964 Ca 0.03 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1qvx h THR 964 Cb 0.28 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1qvx h THR 964 CO 0.00 0.19 0.10 0.25 0.37 0.00 0.00 175.52 176.42 1qvx h LEU 965 N 1.02 0.05 -1.23 2.58 6.46 0.90 -1.55 115.31 123.54 1qvx h LEU 965 Ca 0.28 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.96 1qvx h LEU 965 Cb -0.12 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1qvx h LEU 965 CO -0.06 0.03 -0.29 0.25 -0.62 0.00 0.00 178.44 177.76 1qvx h LEU 966 N 0.06 0.15 -0.56 2.25 5.85 0.15 0.40 115.31 123.62 1qvx h LEU 966 Ca 0.06 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1qvx h LEU 966 Cb 0.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1qvx h LEU 966 CO -0.01 0.44 0.05 0.00 -0.34 0.00 0.00 178.44 178.59 1qvx h ALA 967 N 1.57 0.74 -0.82 1.25 0.00 -1.14 -1.31 119.26 119.55 1qvx h ALA 967 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1qvx h ALA 967 Cb 0.59 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1qvx h ALA 967 CO 0.04 0.53 0.48 1.15 0.00 0.00 0.00 179.25 181.45 1qvx h THR 968 N 0.84 1.23 -0.50 0.00 2.02 -1.15 -0.06 112.91 115.28 1qvx h THR 968 Ca 0.16 -0.52 0.13 0.00 0.77 0.00 0.00 66.41 66.96 1qvx h THR 968 Cb 0.47 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1qvx h THR 968 CO 0.02 0.24 0.36 0.58 0.37 0.00 0.00 175.52 177.09 1qvx h VAL 969 N 1.13 0.79 0.00 3.16 2.07 0.44 -0.48 116.25 123.35 1qvx h VAL 969 Ca 0.29 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1qvx h VAL 969 Cb -0.03 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1qvx h VAL 969 CO -0.05 0.02 -0.26 -0.78 0.02 0.00 0.00 177.57 176.51 1qvx h ASP 970 N 0.08 0.00 0.15 0.57 1.82 0.12 1.01 116.42 120.17 1qvx h ASP 970 Ca 0.24 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1qvx h ASP 970 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1qvx h ASP 970 CO -0.02 0.26 -0.07 -0.33 -1.61 0.00 0.00 179.24 177.47 1qvx h GLU 971 N 0.00 -0.20 0.00 0.28 4.39 -1.01 -2.97 114.58 115.08 1qvx h GLU 971 Ca -0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1qvx h GLU 971 Cb 0.47 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1qvx h GLU 971 CO 0.03 0.10 -0.10 0.66 -1.16 0.00 0.00 179.01 178.54 1qvx h SER 972 N -0.50 0.00 0.38 1.42 4.64 -1.12 -3.24 113.55 115.13 1qvx h SER 972 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1qvx h SER 972 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1qvx h SER 972 CO 0.03 0.10 -0.24 0.25 -0.87 0.00 0.00 176.83 176.11 1qvx h LEU 973 N 0.00 -0.61 -1.85 5.97 5.85 0.12 0.58 115.31 125.37 1qvx h LEU 973 Ca -0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1qvx h LEU 973 Cb 0.40 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1qvx h LEU 973 CO 0.01 -0.38 -0.13 -0.65 -0.34 0.00 0.00 178.44 176.94 1qvx h PRO 974 N -0.60 0.00 0.00 5.25 0.11 -1.64 -1.79 132.00 133.33 1qvx h PRO 974 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1qvx h PRO 974 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1qvx h PRO 974 CO 0.04 0.13 0.00 0.28 -0.21 0.00 0.00 178.00 178.24 1qvx h VAL 975 N 0.00 0.00 0.22 3.15 2.07 -1.20 -3.18 116.25 117.30 1qvx h VAL 975 Ca -0.00 -0.50 -0.32 0.00 0.82 0.00 0.00 66.70 66.70 1qvx h VAL 975 Cb 0.35 1.42 0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1qvx h VAL 975 CO 0.02 0.00 -1.44 0.17 0.02 0.00 0.00 177.57 176.34 1qvx h LEU 976 N 0.00 0.71 -1.60 2.57 8.10 0.10 0.41 115.31 125.61 1qvx h LEU 976 Ca 0.00 -0.78 -0.04 0.00 0.11 0.00 0.00 57.88 57.16 1qvx h LEU 976 Cb 0.64 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1qvx h LEU 976 CO 0.00 1.62 -0.21 -0.65 -4.11 0.00 0.00 178.44 175.09 1qvx h PRO 977 N 0.12 0.00 0.09 0.17 0.11 -1.64 -1.56 132.00 129.30 1qvx h PRO 977 Ca -0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1qvx h PRO 977 Cb 2.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.22 1qvx h PRO 977 CO 0.25 0.21 -0.05 0.00 -0.21 0.00 0.00 178.00 178.20 1qvx h ALA 978 N 1.79 -0.13 0.00 -0.75 0.00 -1.51 -3.48 119.26 115.18 1qvx h ALA 978 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 978 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1qvx h ALA 978 CO 0.03 -0.33 0.00 0.43 0.00 0.00 0.00 179.25 179.38 1qvx n SER 979 N -4.92 0.00 0.30 0.00 7.64 0.11 -4.96 113.62 111.79 1qvx n SER 979 Ca -0.09 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.89 1qvx n SER 979 Cb 0.26 0.38 0.44 0.00 -1.01 0.00 0.00 64.21 64.27 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 0.02 -0.01 0.44 2.02 -0.63 -3.11 112.91 111.63 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 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1qvx h THR 980 CO 0.00 0.00 0.42 -0.74 0.37 0.00 0.00 175.52 175.57 1qvx h HIS 981 N 0.00 0.00 0.07 3.16 2.76 -1.50 0.85 115.15 120.49 1qvx h HIS 981 Ca 0.03 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1qvx h HIS 981 Cb 1.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1qvx h HIS 981 CO 0.00 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 176.60 1qvx h ARG 982 N 0.00 -0.09 0.13 5.26 2.47 -1.83 -3.02 114.38 117.30 1qvx h ARG 982 Ca 0.01 0.01 -0.28 0.00 -1.26 0.00 0.00 59.98 58.45 1qvx h ARG 982 Cb 0.84 0.02 0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1qvx h ARG 982 CO -0.00 0.40 -1.24 1.05 0.56 0.00 0.00 179.97 180.75 1qvx h GLU 983 N -0.94 0.45 0.00 0.04 9.09 -1.64 -3.12 114.58 118.46 1qvx h GLU 983 Ca -0.01 -0.65 -0.00 0.00 0.05 0.00 0.00 59.36 58.74 1qvx h GLU 983 Cb 0.54 0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1qvx h GLU 983 CO 0.02 1.29 -0.02 0.97 0.05 0.00 0.00 179.01 181.31 1qvx h ILE 984 N 0.17 0.20 -0.06 -1.06 6.09 -1.02 0.90 117.51 122.73 1qvx h ILE 984 Ca -0.16 -0.15 -0.06 0.00 -1.37 0.00 0.00 64.86 63.12 1qvx h ILE 984 Cb 1.92 1.12 0.00 0.00 0.47 0.00 0.00 36.82 40.33 1qvx h ILE 984 CO 0.22 0.02 -0.19 -0.33 -3.07 0.00 0.00 178.15 174.80 1qvx h GLU 985 N 0.00 0.24 -0.09 2.19 5.08 -1.48 -2.89 114.58 117.64 1qvx h GLU 985 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1qvx h GLU 985 Cb 0.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qvx h GLU 985 CO 0.00 0.80 -0.24 0.00 -1.00 0.00 0.00 179.01 178.57 1qvx h MET 986 N -0.27 0.32 0.08 2.33 -0.00 -0.83 -3.01 114.93 113.55 1qvx h MET 986 Ca -0.01 -0.23 -0.14 0.00 -0.00 0.00 0.00 59.70 59.33 1qvx h MET 986 Cb 0.82 0.04 0.02 0.00 -0.00 0.00 0.00 31.60 32.47 1qvx h MET 986 CO 0.04 0.84 -0.60 0.00 -0.00 0.00 0.00 176.91 177.19 1qvx h ALA 987 N 0.47 -0.03 -0.55 -3.00 0.00 -1.33 -2.75 119.26 112.07 1qvx h ALA 987 Ca -0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1qvx h ALA 987 Cb 0.86 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1qvx h ALA 987 CO 0.05 0.29 0.27 0.37 0.00 0.00 0.00 179.25 180.23 1qvx h GLN 988 N -0.42 0.79 -0.15 0.00 4.15 -1.63 0.57 115.11 118.42 1qvx h GLN 988 Ca -0.10 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.13 1qvx h GLN 988 Cb 1.42 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 1qvx h GLN 988 CO 0.11 0.64 -0.26 0.87 -1.93 0.00 0.00 178.83 178.26 1qvx h LYS 989 N 0.74 0.28 -0.43 1.69 1.57 -1.66 -1.85 116.57 116.92 1qvx h LYS 989 Ca 0.19 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1qvx h LYS 989 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1qvx h LYS 989 CO -0.03 0.52 0.07 1.25 -0.57 0.00 0.00 179.45 180.70 1qvx h LEU 990 N 0.25 0.68 -0.41 2.94 5.85 -0.89 -3.00 115.31 120.74 1qvx h LEU 990 Ca 0.04 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1qvx h LEU 990 Cb 0.59 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1qvx h LEU 990 CO 0.04 0.76 0.27 -0.07 -0.34 0.00 0.00 178.44 179.11 1qvx h LEU 991 N 0.57 0.47 -0.89 2.25 3.38 0.63 -2.10 115.31 119.62 1qvx h LEU 991 Ca 0.13 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1qvx h LEU 991 Cb 0.37 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1qvx h LEU 991 CO 0.01 0.34 0.53 -1.13 0.09 0.00 0.00 178.44 178.27 1qvx h ASN 992 N 0.55 0.76 0.29 -0.43 -0.73 -1.28 0.97 115.58 115.71 1qvx h ASN 992 Ca 0.15 0.05 -0.17 0.00 1.87 0.00 0.00 56.30 58.19 1qvx h ASN 992 Cb -0.06 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1qvx h ASN 992 CO -0.03 0.42 -0.69 0.28 -0.37 0.00 0.00 177.43 177.04 1qvx h SER 993 N 0.86 0.42 0.00 1.15 0.02 -1.25 -2.92 113.55 111.84 1qvx h SER 993 Ca 0.43 -0.27 -0.30 0.00 -0.84 0.00 0.00 61.79 60.82 1qvx h SER 993 Cb 0.41 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1qvx h SER 993 CO -0.26 0.99 -2.13 0.47 -1.14 0.00 0.00 176.83 174.76 1qvx n ASP 994 N -3.85 1.22 -0.29 3.07 9.92 -0.94 -2.79 116.55 122.90 1qvx n ASP 994 Ca -0.04 -0.02 0.03 0.00 -0.53 0.00 0.00 54.79 54.24 1qvx n ASP 994 Cb 0.68 0.70 0.24 0.00 -0.64 0.00 0.00 41.12 42.09 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 0.00 0.91 -0.30 0.64 7.12 -0.99 -0.63 115.31 122.06 1qvx h LEU 995 Ca -0.44 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.62 1qvx h LEU 995 Cb 1.96 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 41.84 1qvx h LEU 995 CO 0.01 0.60 0.02 0.00 -0.13 0.00 0.00 178.44 178.93 1qvx h ALA 996 N 1.51 0.28 -0.15 1.25 0.00 -1.60 0.62 119.26 121.16 1qvx h ALA 996 Ca 0.37 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1qvx h ALA 996 Cb 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 996 CO -0.13 -0.39 -0.21 0.93 0.00 0.00 0.00 179.25 179.45 1qvx h GLU 997 N 0.11 0.26 0.00 0.00 5.08 -1.23 -1.55 114.58 117.25 1qvx h GLU 997 Ca 0.14 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1qvx h GLU 997 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1qvx h GLU 997 CO -0.23 0.46 -0.38 1.25 -1.00 0.00 0.00 179.01 179.11 1qvx h LEU 998 N 0.24 0.00 -2.02 1.33 5.85 -0.35 0.17 115.31 120.53 1qvx h LEU 998 Ca 0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1qvx h LEU 998 Cb 0.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1qvx h LEU 998 CO 0.03 0.38 -0.08 0.40 -0.34 0.00 0.00 178.44 178.83 1qvx h ILE 999 N 0.00 0.77 -0.00 4.05 2.04 0.11 0.28 117.51 124.77 1qvx h ILE 999 Ca -0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1qvx h ILE 999 Cb 0.86 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1qvx h ILE 999 CO 0.05 0.08 -0.02 0.59 0.00 0.00 0.00 178.15 178.85 1qvx n ASN 1000N -4.02 0.06 0.03 1.72 3.02 0.55 -1.22 115.26 115.40 1qvx n ASN 1000Ca -0.03 -0.04 -0.19 0.00 -0.03 0.00 0.00 54.58 54.29 1qvx n ASN 1000Cb 0.17 -0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qvx h LYS 1001N 0.05 0.26 -0.59 3.52 3.64 0.17 0.72 116.57 124.35 1qvx h LYS 1001Ca 0.00 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1qvx h LYS 1001Cb 0.35 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1qvx h LYS 1001CO 0.00 1.21 0.12 0.00 -2.27 0.00 0.00 179.45 178.51 1qvx h MET 1002N -0.45 0.93 0.50 1.90 -0.00 -1.35 -1.14 114.93 115.31 1qvx h MET 1002Ca -0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.70 59.34 1qvx h MET 1002Cb 1.56 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 33.04 1qvx h MET 1002CO 0.13 0.85 -0.24 -0.22 -0.00 0.00 0.00 176.91 177.43 1qvx h LYS 1003N 0.88 -0.65 0.34 -0.10 3.64 -1.22 -3.09 116.57 116.37 1qvx h LYS 1003Ca 0.19 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1qvx h LYS 1003Cb 0.35 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1qvx h LYS 1003CO 0.00 -0.43 -0.33 1.25 -2.27 0.00 0.00 179.45 177.68 1qvx h LEU 1004N -0.99 -0.88 -0.42 5.20 5.85 0.52 0.71 115.31 125.30 1qvx h LEU 1004Ca -0.07 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1qvx h LEU 1004Cb 0.51 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1qvx h LEU 1004CO 0.11 -0.46 0.20 0.00 -0.34 0.00 0.00 178.44 177.95 1qvx h ALA 1005N -0.17 0.52 0.00 1.25 0.00 -1.37 -0.66 119.26 118.83 1qvx h ALA 1005Ca -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1005Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qvx h ALA 1005CO -0.06 -0.16 -0.33 -0.56 0.00 0.00 0.00 179.25 178.14 1qvx h GLN 1006N 0.41 0.00 -0.17 0.00 -0.00 -1.43 -1.40 115.11 112.52 1qvx h GLN 1006Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.77 1qvx h GLN 1006Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1qvx h GLN 1006CO -0.14 0.33 -0.12 0.37 -0.00 0.00 0.00 178.83 179.28 1qvx h GLN 1007N 0.00 0.38 -0.21 0.06 5.75 0.19 -3.26 115.11 118.03 1qvx h GLN 1007Ca -0.00 -0.18 -0.16 0.00 -0.15 0.00 0.00 58.65 58.15 1qvx h GLN 1007Cb 1.06 -0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.46 1qvx h GLN 1007CO 0.04 0.72 -0.64 0.66 -2.65 0.00 0.00 178.83 176.97 1qvx n TYR 1008N -4.56 0.76 -1.68 3.99 4.01 -0.80 -5.05 117.16 113.83 1qvx n TYR 1008Ca -0.06 -1.64 -0.58 0.00 -0.16 0.00 0.00 57.90 55.47 1qvx n TYR 1008Cb 0.34 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.89 0.19 -3.67 -0.72 3.14 -0.53 -4.18 118.33 111.67 1qvx n VAL 1009Ca 0.24 -0.03 -0.15 0.00 -2.96 0.00 0.00 64.34 61.44 1qvx n VAL 1009Cb 0.80 -1.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.50 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 2.63 0.77 0.00 1.45 0.00 -1.26 -4.88 119.30 118.01 1qvx s MET 1010Ca 0.96 0.17 0.02 0.00 0.00 0.00 0.00 55.69 56.83 1qvx s MET 1010Cb -1.10 0.36 0.08 0.00 0.00 0.00 0.00 34.83 34.17 1qvx s MET 1010CO 0.63 -0.20 0.91 -2.37 0.00 0.00 0.00 175.02 173.99 1qvx n THR 1011N 1.53 1.30 0.00 10.11 5.66 -1.26 -1.92 114.28 129.70 1qvx n THR 1011Ca -0.19 0.32 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1qvx n THR 1011Cb 0.56 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1qvx n SER 1012N -1.34 0.26 0.25 1.09 2.88 -1.26 -4.88 113.62 110.62 1qvx n SER 1012Ca 0.01 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1qvx n SER 1012Cb 0.01 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 63.99 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qvx h LEU 1013N 0.00 0.00 -0.79 2.46 4.07 -1.88 -3.28 115.31 115.89 1qvx h LEU 1013Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1qvx h LEU 1013Cb 0.23 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1qvx h LEU 1013CO 0.00 0.05 0.47 -0.61 -1.08 0.00 0.00 178.44 177.26 1qvx h GLN 1014N 0.00 0.82 -0.96 1.13 -0.00 -1.55 -3.18 115.11 111.38 1qvx h GLN 1014Ca -0.00 -0.05 0.17 0.00 -0.00 0.00 0.00 58.65 58.77 1qvx h GLN 1014Cb 0.69 -0.19 -0.08 0.00 0.00 0.00 0.00 27.48 27.90 1qvx h GLN 1014CO 0.01 0.54 0.60 1.96 0.00 0.00 0.00 178.83 181.95 1qvx h GLN 1015N 0.85 0.71 -0.58 1.69 1.08 -1.80 0.65 115.11 117.70 1qvx h GLN 1015Ca 0.35 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.62 1qvx h GLN 1015Cb 0.20 -0.16 -0.11 0.00 -0.05 0.00 0.00 27.48 27.36 1qvx h GLN 1015CO -0.19 0.47 -0.22 1.49 -0.95 0.00 0.00 178.83 179.43 1qvx h GLU 1016N 0.73 -0.07 0.00 1.46 4.57 -1.83 0.61 114.58 120.05 1qvx h GLU 1016Ca 0.51 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1qvx h GLU 1016Cb 0.82 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1qvx h GLU 1016CO -0.27 -0.05 -0.16 1.88 -1.18 0.00 0.00 179.01 179.23 1qvx h TYR 1017N -0.08 0.00 0.19 0.92 0.05 0.12 0.43 116.97 118.59 1qvx h TYR 1017Ca 0.27 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.77 1qvx h TYR 1017Cb 0.49 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.27 1qvx h TYR 1017CO -0.54 0.16 -1.19 -0.22 -1.05 0.00 0.00 178.16 175.32 1qvx h LYS 1018N 0.00 0.48 0.05 4.88 3.64 -0.82 -3.11 116.57 121.69 1qvx h LYS 1018Ca -0.00 -0.76 -0.23 0.00 -1.27 0.00 0.00 60.65 58.38 1qvx h LYS 1018Cb 0.54 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1qvx h LYS 1018CO 0.02 1.36 -1.04 -0.22 -2.27 0.00 0.00 179.45 177.30 1qvx h LYS 1019N -0.01 0.24 0.10 1.90 3.64 0.15 -2.11 116.57 120.47 1qvx h LYS 1019Ca -0.20 -0.32 -0.17 0.00 -1.27 0.00 0.00 60.65 58.68 1qvx h LYS 1019Cb 1.92 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.86 1qvx h LYS 1019CO 0.22 1.08 -0.82 0.37 -2.27 0.00 0.00 179.45 178.03 1qvx h GLN 1020N 0.10 0.21 0.00 1.90 4.15 -0.36 -3.07 115.11 118.04 1qvx h GLN 1020Ca -0.08 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1qvx h GLN 1020Cb 1.72 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.55 1qvx h GLN 1020CO 0.16 1.17 0.00 0.52 -1.93 0.00 0.00 178.83 178.76 1qvx h MET 1021N -0.52 0.00 -0.51 1.69 2.86 -1.67 -2.43 114.93 114.36 1qvx h MET 1021Ca -0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1qvx h MET 1021Cb 1.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 1qvx h MET 1021CO 0.08 0.00 0.19 1.25 1.06 0.00 0.00 176.91 179.49 1qvx h LEU 1022N 0.00 0.72 -1.96 1.22 5.85 -1.37 0.74 115.31 120.51 1qvx h LEU 1022Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1qvx h LEU 1022Cb 0.68 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1qvx h LEU 1022CO 0.00 0.70 -0.07 0.74 -0.34 0.00 0.00 178.44 179.47 1qvx h THR 1023N 0.69 0.92 0.01 1.05 2.02 -1.34 -1.51 112.91 114.74 1qvx h THR 1023Ca 0.17 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 1qvx h THR 1023Cb 0.22 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1qvx h THR 1023CO -0.01 0.07 -0.92 0.00 0.37 0.00 0.00 175.52 175.02 1qvx h ALA 1024N 1.93 0.48 -0.50 6.16 0.00 -1.13 -2.94 119.26 123.25 1qvx h ALA 1024Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 54.91 53.99 1qvx h ALA 1024Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1qvx h ALA 1024CO 0.01 1.07 -0.13 0.00 0.00 0.00 0.00 179.25 180.21 1qvx h ALA 1025N 1.03 0.69 -0.84 0.00 0.00 0.10 -1.73 119.26 118.52 1qvx h ALA 1025Ca -0.03 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1qvx h ALA 1025Cb 1.61 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1qvx h ALA 1025CO 0.13 0.62 0.55 1.25 0.00 0.00 0.00 179.25 181.80 1qvx h HIS 1026N 0.84 0.99 -0.03 0.00 2.76 -1.37 0.22 115.15 118.56 1qvx h HIS 1026Ca 0.13 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1qvx h HIS 1026Cb 0.69 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1qvx h HIS 1026CO 0.05 0.56 0.01 0.00 -1.30 0.00 0.00 177.93 177.24 1qvx h ALA 1027N 1.52 0.04 0.00 5.26 0.00 -1.26 -1.91 119.26 122.92 1qvx h ALA 1027Ca 0.34 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1qvx h ALA 1027Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qvx h ALA 1027CO -0.11 -0.33 -0.38 1.25 0.00 0.00 0.00 179.25 179.69 1qvx h LEU 1028N -0.19 0.00 -0.74 0.00 6.46 -0.99 0.03 115.31 119.88 1qvx h LEU 1028Ca 0.01 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1qvx h LEU 1028Cb 0.26 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1qvx h LEU 1028CO 0.00 0.38 0.49 0.00 -0.62 0.00 0.00 178.44 178.68 1qvx h ALA 1029N 1.62 0.95 -0.08 1.25 0.00 -0.80 -1.14 119.26 121.07 1qvx h ALA 1029Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1qvx h ALA 1029Cb 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qvx h ALA 1029CO 0.05 0.34 -0.31 0.28 0.00 0.00 0.00 179.25 179.61 1qvx h VAL 1030N 0.99 1.26 -0.44 0.00 2.07 -0.31 -1.55 116.25 118.26 1qvx h VAL 1030Ca 0.28 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1qvx h VAL 1030Cb -0.09 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1qvx h VAL 1030CO -0.07 0.36 0.16 0.44 0.02 0.00 0.00 177.57 178.49 1qvx h ASP 1031N 0.13 0.18 0.28 0.57 5.19 -0.21 0.98 116.42 123.54 1qvx h ASP 1031Ca 0.02 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1qvx h ASP 1031Cb 0.63 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 1qvx h ASP 1031CO 0.05 0.14 -0.18 0.00 -3.12 0.00 0.00 179.24 176.12 1qvx h ALA 1032N 1.28 -0.44 -0.86 3.45 0.00 -0.81 -2.38 119.26 119.50 1qvx h ALA 1032Ca 0.20 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1qvx h ALA 1032Cb 0.19 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1qvx h ALA 1032CO -0.20 -0.76 0.49 -0.22 0.00 0.00 0.00 179.25 178.56 1qvx h LYS 1033N -0.45 0.75 -0.01 0.00 3.64 -0.75 0.43 116.57 120.17 1qvx h LYS 1033Ca -0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1qvx h LYS 1033Cb 0.39 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1qvx h LYS 1033CO 0.02 0.50 0.00 -0.97 -2.27 0.00 0.00 179.45 176.73 1qvx h ASN 1034N 0.77 0.02 0.82 4.20 -1.24 -0.68 -2.87 115.58 116.60 1qvx h ASN 1034Ca 0.44 -0.19 -0.10 0.00 0.71 0.00 0.00 56.30 57.16 1qvx h ASN 1034Cb 0.48 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1qvx h ASN 1034CO -0.29 0.20 -0.50 0.25 -1.29 0.00 0.00 177.43 175.81 1qvx h LEU 1035N -0.16 0.00 -1.42 0.34 5.85 -0.84 0.31 115.31 119.39 1qvx h LEU 1035Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1qvx h LEU 1035Cb 0.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1qvx h LEU 1035CO -0.00 0.50 0.46 0.25 -0.34 0.00 0.00 178.44 179.30 1qvx h LEU 1036N 0.00 0.62 0.04 2.25 6.46 -0.03 0.91 115.31 125.56 1qvx h LEU 1036Ca -0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1qvx h LEU 1036Cb 1.04 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.79 1qvx h LEU 1036CO 0.06 0.40 -1.96 -0.67 -0.62 0.00 0.00 178.44 175.66 1qvx n ASP 1037N -4.48 1.19 -0.15 1.25 2.03 -1.00 -2.12 116.55 113.27 1qvx n ASP 1037Ca 0.10 0.25 -0.04 0.00 0.52 0.00 0.00 54.79 55.62 1qvx n ASP 1037Cb 0.24 -0.16 0.05 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.02 0.88 0.00 5.18 2.07 -0.26 0.38 116.25 124.51 1qvx h VAL 1038Ca -0.39 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 66.73 1qvx h VAL 1038Cb 2.05 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1qvx h VAL 1038CO 0.06 0.07 -1.85 0.00 0.02 0.00 0.00 177.57 175.87 1qvx n ILE 1039N -4.97 1.37 -0.27 4.57 3.06 0.31 0.65 119.36 124.07 1qvx n ILE 1039Ca 0.04 -0.78 -0.01 0.00 -2.50 0.00 0.00 62.75 59.51 1qvx n ILE 1039Cb 0.17 -0.75 0.11 0.00 0.54 0.00 0.00 39.64 39.71 1qvx n ILE 1039CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1qvx h ASP 1040N 0.00 0.72 0.36 9.51 3.58 -1.42 0.12 116.42 129.29 1qvx h ASP 1040Ca -0.32 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 1qvx h ASP 1040Cb 1.93 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.84 1qvx h ASP 1040CO 0.05 0.47 -0.48 1.56 -2.88 0.00 0.00 179.24 177.97 1qvx h GLN 1041N 0.85 0.14 0.12 0.28 1.08 -0.09 -1.21 115.11 116.27 1qvx h GLN 1041Ca 0.33 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.48 1qvx h GLN 1041Cb 0.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1qvx h GLN 1041CO -0.16 0.59 -0.35 0.00 -0.95 0.00 0.00 178.83 177.96 1qvx h ALA 1042N 1.40 -0.60 -0.56 3.87 0.00 0.10 1.39 119.26 124.87 1qvx h ALA 1042Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1qvx h ALA 1042Cb 0.89 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1qvx h ALA 1042CO 0.07 -0.90 0.37 -0.09 0.00 0.00 0.00 179.25 178.70 1qvx h ARG 1043N -0.58 0.44 -0.36 0.00 9.65 -0.55 0.84 114.38 123.83 1qvx h ARG 1043Ca 0.03 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1qvx h ARG 1043Cb 0.61 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1qvx h ARG 1043CO -0.20 0.29 -0.25 1.25 2.80 0.00 0.00 179.97 183.86 1qvx h LEU 1044N 0.46 0.84 -1.26 3.80 5.85 -0.39 -2.55 115.31 122.05 1qvx h LEU 1044Ca 0.25 -0.43 0.21 0.00 0.84 0.00 0.00 57.88 58.74 1qvx h LEU 1044Cb 0.38 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 1qvx h LEU 1044CO -0.07 1.09 0.62 0.11 -0.34 0.00 0.00 178.44 179.86 1qvx h LYS 1045N 0.59 0.55 -0.36 1.25 1.79 0.41 0.71 116.57 121.50 1qvx h LYS 1045Ca 0.07 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 1qvx h LYS 1045Cb 0.81 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1qvx h LYS 1045CO 0.07 0.36 -0.31 1.98 -1.08 0.00 0.00 179.45 180.46 1qvx h MET 1046N 0.56 0.79 -0.33 3.15 4.05 -0.81 -1.21 114.93 121.13 1qvx h MET 1046Ca 0.54 -0.37 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 1qvx h MET 1046Cb 1.12 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.89 1qvx h MET 1046CO -0.29 1.00 -0.23 0.82 0.23 0.00 0.00 176.91 178.44 1qvx h ILE 1047N 0.67 1.27 -0.08 1.77 1.08 -0.32 -2.39 117.51 119.51 1qvx h ILE 1047Ca 0.07 -1.31 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 1qvx h ILE 1047Cb 0.85 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1qvx h ILE 1047CO 0.07 0.43 -0.11 0.28 -0.69 0.00 0.00 178.15 178.13 1qvx h SER 1048N 0.57 -0.34 0.28 1.72 0.02 0.88 0.24 113.55 116.92 1qvx h SER 1048Ca 0.08 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1qvx h SER 1048Cb 0.70 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1qvx h SER 1048CO 0.05 -0.15 -0.29 1.56 -1.14 0.00 0.00 176.83 176.86 1qvx h GLN 1049N -0.15 0.02 0.00 3.45 1.08 -1.18 -1.32 115.11 117.00 1qvx h GLN 1049Ca 0.07 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1qvx h GLN 1049Cb 0.25 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1qvx h GLN 1049CO -0.17 0.30 0.00 0.43 -0.95 0.00 0.00 178.83 178.45 1qvx n SER 1050N -4.19 0.77 -2.07 1.46 7.64 -0.79 -5.01 113.62 111.43 1qvx n SER 1050Ca -0.02 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.42 1qvx n SER 1050Cb 0.34 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.74 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 -2.23 -3.55 0.00 1.43 3.00 0.78 -5.05 116.66 111.06 1qvx n ARG 1051Ca 0.05 2.75 0.00 0.00 -0.00 0.00 0.00 57.85 60.65 1qvx n ARG 1051Cb 0.42 -3.64 0.00 0.00 0.00 0.00 0.00 32.46 29.24 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 1.27 0.00 0.00 -0.14 -0.02 -1.22 -4.99 135.00 129.89 1qvx n PRO 1052Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1qvx n PRO 1052Cb 0.17 -0.44 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 1qvx n PRO 1052CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20