#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 2.99 -3.37 6.15 7.64 -1.26 -4.81 113.62 120.97 1qvx n SER 921 Ca 0.00 -2.40 -0.11 0.00 1.01 0.00 0.00 58.87 57.37 1qvx n SER 921 Cb 0.00 -0.58 0.01 0.00 -1.01 0.00 0.00 64.21 62.62 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 0.08 -6.57 -3.11 6.43 4.13 -1.26 -4.98 115.26 109.98 1qvx n ASN 922 Ca 0.14 -0.48 -0.02 0.00 1.68 0.00 0.00 54.58 55.91 1qvx n ASN 922 Cb 0.75 -3.93 0.02 0.00 -1.54 0.00 0.00 39.78 35.08 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 -2.18 -1.17 -0.16 6.41 2.03 -1.26 -3.46 116.55 116.75 1qvx n ASP 923 Ca -0.12 -0.07 0.15 0.00 0.52 0.00 0.00 54.79 55.27 1qvx n ASP 923 Cb 0.58 -0.13 0.23 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.70 0.00 0.10 -0.67 0.00 -1.26 0.09 118.16 115.73 1qvx n LYS 924 Ca 0.01 0.41 -0.12 0.00 0.00 0.00 0.00 58.31 58.61 1qvx n LYS 924 Cb 0.05 -1.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.01 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 0.64 0.00 3.15 -1.51 -1.87 0.23 116.25 116.89 1qvx h VAL 925 Ca 0.26 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.62 1qvx h VAL 925 Cb 1.29 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1qvx h VAL 925 CO -0.00 0.00 -0.54 0.22 -1.23 0.00 0.00 177.57 176.02 1qvx h TYR 926 N -0.31 0.00 0.52 5.19 3.20 -0.37 -3.02 116.97 122.17 1qvx h TYR 926 Ca 0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1qvx h TYR 926 Cb 0.33 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1qvx h TYR 926 CO -0.16 0.54 -0.25 0.93 -1.64 0.00 0.00 178.16 177.57 1qvx h GLU 927 N 0.00 -0.67 -0.06 1.82 5.08 -1.36 -2.98 114.58 116.41 1qvx h GLU 927 Ca -0.01 0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1qvx h GLU 927 Cb 1.28 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1qvx h GLU 927 CO 0.07 -0.45 -0.60 -0.97 -1.00 0.00 0.00 179.01 176.06 1qvx h ASN 928 N -0.96 0.25 -0.11 1.42 -0.00 -0.66 -2.05 115.58 113.47 1qvx h ASN 928 Ca -0.07 -0.14 -0.01 0.00 -0.00 0.00 0.00 56.30 56.07 1qvx h ASN 928 Cb 0.54 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 1qvx h ASN 928 CO 0.12 0.79 0.04 1.62 -0.00 0.00 0.00 177.43 179.99 1qvx h VAL 929 N 0.16 1.09 -0.64 2.57 3.04 -1.65 0.36 116.25 121.18 1qvx h VAL 929 Ca -0.01 -0.30 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 1qvx h VAL 929 Cb 1.10 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 1qvx h VAL 929 CO 0.09 0.11 0.21 0.74 -1.01 0.00 0.00 177.57 177.70 1qvx h THR 930 N 0.23 1.24 -0.07 3.17 2.02 -1.21 -1.43 112.91 116.85 1qvx h THR 930 Ca 0.06 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.45 1qvx h THR 930 Cb 0.10 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1qvx h THR 930 CO -0.00 0.31 0.06 1.23 0.37 0.00 0.00 175.52 177.49 1qvx h GLY 931 N 1.04 0.00 1.60 2.16 0.00 -0.02 0.35 103.07 108.20 1qvx h GLY 931 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1qvx h GLY 931 CO -0.01 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.37 1qvx h LEU 932 N 0.00 0.47 -0.01 3.11 5.85 0.14 0.11 115.31 124.97 1qvx h LEU 932 Ca 0.03 -0.13 -0.26 0.00 0.84 0.00 0.00 57.88 58.36 1qvx h LEU 932 Cb 0.15 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.07 1qvx h LEU 932 CO -0.00 0.65 -1.09 0.58 -0.34 0.00 0.00 178.44 178.24 1qvx h VAL 933 N 0.44 1.35 -0.79 1.05 2.07 -0.79 -2.99 116.25 116.59 1qvx h VAL 933 Ca 0.08 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 65.14 1qvx h VAL 933 Cb 0.54 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1qvx h VAL 933 CO 0.03 0.75 0.52 0.11 0.02 0.00 0.00 177.57 179.01 1qvx h LYS 934 N 0.26 0.95 0.00 1.57 1.79 0.08 0.20 116.57 121.42 1qvx h LYS 934 Ca -0.13 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1qvx h LYS 934 Cb 1.76 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 1qvx h LYS 934 CO 0.20 0.63 -0.47 0.00 -1.08 0.00 0.00 179.45 178.72 1qvx h ALA 935 N 1.54 0.70 0.00 3.86 0.00 -1.04 0.27 119.26 124.58 1qvx h ALA 935 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qvx h ALA 935 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qvx h ALA 935 CO -0.09 0.58 0.00 -0.24 0.00 0.00 0.00 179.25 179.50 1qvx h VAL 936 N 0.00 0.00 -0.07 0.00 3.04 -1.22 0.72 116.25 118.72 1qvx h VAL 936 Ca -0.01 -0.52 -0.23 0.00 -1.01 0.00 0.00 66.70 64.93 1qvx h VAL 936 Cb 1.36 1.51 0.01 0.00 -2.01 0.00 0.00 31.29 32.16 1qvx h VAL 936 CO 0.06 0.00 -0.88 0.40 -1.01 0.00 0.00 177.57 176.14 1qvx h ILE 937 N 0.00 1.31 -0.61 3.17 1.08 0.15 -1.81 117.51 120.80 1qvx h ILE 937 Ca 0.00 -2.16 0.11 0.00 -0.39 0.00 0.00 64.86 62.42 1qvx h ILE 937 Cb 0.75 2.19 -0.08 0.00 -3.07 0.00 0.00 36.82 36.61 1qvx h ILE 937 CO 0.00 0.67 0.17 -0.33 -0.69 0.00 0.00 178.15 177.97 1qvx h GLU 938 N 0.41 0.31 -0.76 2.37 4.39 -0.03 0.21 114.58 121.48 1qvx h GLU 938 Ca -0.08 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.65 1qvx h GLU 938 Cb 1.51 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.05 1qvx h GLU 938 CO 0.17 0.20 0.50 1.98 -1.16 0.00 0.00 179.01 180.70 1qvx h MET 939 N 0.32 0.85 -0.08 2.33 4.05 -0.67 0.83 114.93 122.55 1qvx h MET 939 Ca 0.32 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 59.47 1qvx h MET 939 Cb 0.45 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1qvx h MET 939 CO -0.37 0.56 -0.84 0.77 0.23 0.00 0.00 176.91 177.26 1qvx h SER 940 N 0.88 0.75 0.11 1.39 0.02 -0.35 -2.81 113.55 113.54 1qvx h SER 940 Ca 0.31 -0.53 -0.18 0.00 -0.84 0.00 0.00 61.79 60.55 1qvx h SER 940 Cb 0.13 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.46 1qvx h SER 940 CO -0.10 1.32 -0.78 0.28 -1.14 0.00 0.00 176.83 176.41 1qvx h SER 941 N 0.40 0.50 -0.49 3.07 0.02 0.43 -3.00 113.55 114.48 1qvx h SER 941 Ca -0.07 -0.90 0.01 0.00 -0.84 0.00 0.00 61.79 59.99 1qvx h SER 941 Cb 1.46 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1qvx h SER 941 CO 0.16 1.36 0.32 0.50 -1.14 0.00 0.00 176.83 178.03 1qvx h LYS 942 N -0.28 0.63 0.00 3.45 3.11 0.52 -0.99 116.57 123.02 1qvx h LYS 942 Ca -0.13 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.58 1qvx h LYS 942 Cb 1.57 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.65 1qvx h LYS 942 CO 0.15 0.42 -0.43 0.97 -2.81 0.00 0.00 179.45 177.74 1qvx h ILE 943 N 0.65 0.81 -0.10 2.00 2.10 -1.53 -3.15 117.51 118.28 1qvx h ILE 943 Ca 0.18 -1.92 0.04 0.00 1.08 0.00 0.00 64.86 64.24 1qvx h ILE 943 Cb -0.06 2.24 -0.06 0.00 -1.09 0.00 0.00 36.82 37.85 1qvx h ILE 943 CO -0.04 0.42 -0.35 1.56 -1.08 0.00 0.00 178.15 178.67 1qvx h GLN 944 N 0.00 -0.42 -1.00 2.19 1.08 -1.02 -1.98 115.11 113.96 1qvx h GLN 944 Ca -0.00 0.03 -0.54 0.00 -1.45 0.00 0.00 58.65 56.68 1qvx h GLN 944 Cb 1.20 0.10 -0.31 0.00 -0.05 0.00 0.00 27.48 28.42 1qvx h GLN 944 CO 0.06 -0.28 0.69 -0.35 -0.95 0.00 0.00 178.83 177.99 1qvx n PRO 945 N -5.42 2.31 -3.84 1.46 -0.04 -1.25 -4.98 135.00 123.24 1qvx n PRO 945 Ca -0.04 -3.04 -0.36 0.00 -0.04 0.00 0.00 63.50 60.03 1qvx n PRO 945 Cb 0.34 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 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 -3.37 3.43 0.90 0.55 0.00 -0.74 -5.06 121.76 117.47 1qvx s ALA 946 Ca 0.58 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 1qvx s ALA 946 Cb 0.48 -2.09 0.14 0.00 0.00 0.00 0.00 23.12 21.65 1qvx s ALA 946 CO 0.09 -0.08 1.18 -1.25 0.00 0.00 0.00 175.76 175.70 1qvx s PRO 947 N 0.86 1.19 0.34 0.00 0.04 -1.26 -4.80 135.00 131.36 1qvx s PRO 947 Ca 0.05 0.08 0.11 0.00 0.04 0.00 0.00 61.00 61.28 1qvx s PRO 947 Cb -0.13 -1.86 0.90 0.00 0.04 0.00 0.00 34.50 33.44 1qvx s PRO 947 CO 0.03 -2.12 1.77 -1.00 0.04 0.00 0.00 177.00 175.71 1qvx h PRO 948 N -1.44 0.58 0.00 0.56 0.13 -1.99 0.36 132.00 130.20 1qvx h PRO 948 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1qvx h PRO 948 Cb 1.31 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qvx h PRO 948 CO 0.57 0.38 -0.02 0.93 -0.23 0.00 0.00 178.00 179.64 1qvx h GLU 949 N 0.60 0.00 0.00 0.86 5.08 -1.96 -1.63 114.58 117.53 1qvx h GLU 949 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1qvx h GLU 949 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1qvx h GLU 949 CO -0.37 0.02 -1.45 0.39 -1.00 0.00 0.00 179.01 176.60 1qvx n GLU 950 N -3.63 0.69 -0.01 2.33 -0.58 0.12 -4.15 120.64 115.41 1qvx n GLU 950 Ca -0.03 -0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.52 1qvx n GLU 950 Cb 0.11 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.32 -0.41 -0.32 -1.99 -0.41 0.39 116.97 113.91 1qvx h TYR 951 Ca 0.00 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 1qvx h TYR 951 Cb 0.69 0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 1qvx h TYR 951 CO 0.00 -0.19 -0.06 -0.24 -0.00 0.00 0.00 178.16 177.67 1qvx h VAL 952 N -0.15 1.27 -0.60 -2.88 3.04 -1.74 -0.23 116.25 114.96 1qvx h VAL 952 Ca 0.09 -1.12 0.05 0.00 -1.01 0.00 0.00 66.70 64.71 1qvx h VAL 952 Cb 0.28 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 1qvx h VAL 952 CO -0.23 0.38 0.40 -0.65 -1.01 0.00 0.00 177.57 176.46 1qvx h PRO 953 N 0.59 0.62 0.02 4.17 0.11 -1.69 0.36 132.00 136.18 1qvx h PRO 953 Ca 0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1qvx h PRO 953 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1qvx h PRO 953 CO 0.03 0.41 -0.01 1.98 -0.21 0.00 0.00 178.00 180.20 1qvx h MET 954 N 0.64 -0.02 0.00 1.05 1.85 0.32 -0.81 114.93 117.96 1qvx h MET 954 Ca 0.25 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.34 1qvx h MET 954 Cb 0.19 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 1qvx h MET 954 CO -0.07 0.10 -0.01 -0.24 -0.40 0.00 0.00 176.91 176.29 1qvx h VAL 955 N -0.14 0.64 -0.31 -5.77 3.04 -0.78 -1.08 116.25 111.84 1qvx h VAL 955 Ca -0.00 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1qvx h VAL 955 Cb 0.14 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 1qvx h VAL 955 CO 0.00 0.01 -0.16 0.50 -1.01 0.00 0.00 177.57 176.91 1qvx h LYS 956 N 0.00 0.56 -0.45 4.17 3.64 0.43 -2.30 116.57 122.61 1qvx h LYS 956 Ca -0.00 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1qvx h LYS 956 Cb 0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1qvx h LYS 956 CO 0.00 0.70 0.18 0.93 -2.27 0.00 0.00 179.45 179.00 1qvx h GLU 957 N 0.51 0.36 0.00 1.90 4.39 -0.08 0.74 114.58 122.39 1qvx h GLU 957 Ca 0.09 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1qvx h GLU 957 Cb 0.57 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1qvx h GLU 957 CO 0.04 0.24 -0.13 -0.24 -1.16 0.00 0.00 179.01 177.76 1qvx h VAL 958 N 0.37 0.36 -0.28 3.13 3.04 -1.43 -2.32 116.25 119.11 1qvx h VAL 958 Ca 0.20 -0.80 -0.10 0.00 -1.01 0.00 0.00 66.70 65.00 1qvx h VAL 958 Cb 0.17 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1qvx h VAL 958 CO -0.19 0.13 -0.22 1.23 -1.01 0.00 0.00 177.57 177.51 1qvx h GLY 959 N 1.81 0.71 2.00 3.17 0.00 -0.42 -2.13 103.07 108.20 1qvx h GLY 959 Ca -0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1qvx h GLY 959 CO 0.02 0.62 -0.02 1.41 0.00 0.00 0.00 176.54 178.57 1qvx h LEU 960 N 0.39 0.00 0.64 3.11 -0.00 -0.70 -2.15 115.31 116.61 1qvx h LEU 960 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1qvx h LEU 960 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1qvx h LEU 960 CO 0.06 0.02 -0.31 0.00 -0.00 0.00 0.00 178.44 178.21 1qvx h ALA 961 N 1.98 -0.86 -0.11 1.53 0.00 -0.83 0.89 119.26 121.85 1qvx h ALA 961 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1qvx h ALA 961 Cb 0.11 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qvx h ALA 961 CO 0.00 -0.90 -0.40 1.25 0.00 0.00 0.00 179.25 179.20 1qvx h LEU 962 N -1.04 0.26 0.73 0.00 5.85 -1.43 -0.42 115.31 119.26 1qvx h LEU 962 Ca -0.09 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1qvx h LEU 962 Cb 0.70 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1qvx h LEU 962 CO 0.15 0.64 -0.48 -0.09 -0.34 0.00 0.00 178.44 178.32 1qvx h ARG 963 N 0.21 -1.10 -0.73 1.25 9.65 -1.32 0.26 114.38 122.60 1qvx h ARG 963 Ca 0.02 0.07 0.12 0.00 -1.10 0.00 0.00 59.98 59.10 1qvx h ARG 963 Cb 0.80 0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.58 1qvx h ARG 963 CO 0.06 -0.73 0.48 1.15 2.80 0.00 0.00 179.97 183.73 1qvx h THR 964 N -1.14 0.86 0.00 0.20 2.02 -0.77 0.24 112.91 114.32 1qvx h THR 964 Ca -0.10 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1qvx h THR 964 Cb 0.92 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1qvx h THR 964 CO 0.08 0.09 -0.20 0.25 0.37 0.00 0.00 175.52 176.11 1qvx h LEU 965 N 0.50 0.00 -1.32 2.58 7.12 -0.59 -2.24 115.31 121.37 1qvx h LEU 965 Ca 0.35 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.29 1qvx h LEU 965 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1qvx h LEU 965 CO -0.12 0.20 -0.34 -0.07 -0.13 0.00 0.00 178.44 177.98 1qvx h LEU 966 N 0.00 0.00 -0.56 2.25 3.38 0.30 0.44 115.31 121.12 1qvx h LEU 966 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qvx h LEU 966 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qvx h LEU 966 CO 0.03 0.34 0.20 0.00 0.09 0.00 0.00 178.44 179.09 1qvx h ALA 967 N 1.66 0.72 -0.86 1.53 0.00 -1.32 -0.93 119.26 120.08 1qvx h ALA 967 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1qvx h ALA 967 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1qvx h ALA 967 CO 0.04 0.36 0.41 1.15 0.00 0.00 0.00 179.25 181.21 1qvx h THR 968 N 0.77 1.26 -0.51 0.00 2.02 -1.15 -1.90 112.91 113.40 1qvx h THR 968 Ca 0.18 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 66.76 1qvx h THR 968 Cb 0.23 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1qvx h THR 968 CO -0.01 0.32 0.36 0.58 0.37 0.00 0.00 175.52 177.13 1qvx h VAL 969 N 1.22 0.81 0.00 3.16 2.07 0.40 0.31 116.25 124.23 1qvx h VAL 969 Ca 0.29 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 1qvx h VAL 969 Cb 0.12 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1qvx h VAL 969 CO -0.04 0.02 -0.17 -0.78 0.02 0.00 0.00 177.57 176.62 1qvx h ASP 970 N 0.14 0.00 -0.09 0.57 3.58 -0.35 0.84 116.42 121.11 1qvx h ASP 970 Ca 0.24 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 1qvx h ASP 970 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1qvx h ASP 970 CO -0.03 0.17 -0.22 -0.33 -2.88 0.00 0.00 179.24 175.96 1qvx h GLU 971 N 0.00 0.30 0.00 0.28 4.39 -0.85 -3.15 114.58 115.55 1qvx h GLU 971 Ca -0.00 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1qvx h GLU 971 Cb 0.86 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1qvx h GLU 971 CO 0.02 0.81 -0.15 1.03 -1.16 0.00 0.00 179.01 179.57 1qvx h SER 972 N -0.17 0.00 0.01 1.42 0.87 -0.74 -3.21 113.55 111.74 1qvx h SER 972 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qvx h SER 972 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1qvx h SER 972 CO 0.05 0.15 -0.01 0.25 -0.53 0.00 0.00 176.83 176.74 1qvx h LEU 973 N 0.00 -0.02 -2.12 2.23 5.85 0.75 0.39 115.31 122.39 1qvx h LEU 973 Ca -0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1qvx h LEU 973 Cb 0.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1qvx h LEU 973 CO 0.02 0.02 0.13 -0.65 -0.34 0.00 0.00 178.44 177.61 1qvx h PRO 974 N -0.05 0.00 0.00 5.25 0.11 -1.65 0.17 132.00 135.84 1qvx h PRO 974 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qvx h PRO 974 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1qvx h PRO 974 CO 0.00 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.07 1qvx h VAL 975 N 0.00 0.00 0.17 3.15 2.07 -0.90 -3.16 116.25 117.58 1qvx h VAL 975 Ca 0.07 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1qvx h VAL 975 Cb 0.33 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1qvx h VAL 975 CO -0.00 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.76 1qvx h LEU 976 N 0.00 -0.19 -1.92 2.57 6.46 0.28 0.80 115.31 123.30 1qvx h LEU 976 Ca 0.00 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1qvx h LEU 976 Cb 0.57 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1qvx h LEU 976 CO 0.00 0.21 -0.07 -0.65 -0.62 0.00 0.00 178.44 177.30 1qvx h PRO 977 N -0.62 0.00 0.65 5.25 0.11 -1.63 -2.76 132.00 133.00 1qvx h PRO 977 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 977 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 1qvx h PRO 977 CO 0.04 0.07 -0.31 0.00 -0.21 0.00 0.00 178.00 177.59 1qvx h ALA 978 N 1.93 -0.87 0.00 -0.75 0.00 -1.46 -3.48 119.26 114.64 1qvx h ALA 978 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 978 Cb 0.14 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qvx h ALA 978 CO 0.01 -0.82 0.00 0.43 0.00 0.00 0.00 179.25 178.87 1qvx n SER 979 N -5.36 0.00 0.20 0.00 7.64 0.23 -4.78 113.62 111.56 1qvx n SER 979 Ca -0.11 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.91 1qvx n SER 979 Cb 0.35 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.26 1qvx n SER 979 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qvx h THR 980 N 0.00 0.00 -0.18 0.44 1.03 -0.35 -3.11 112.91 110.74 1qvx h THR 980 Ca 0.00 -0.06 0.05 0.00 -0.01 0.00 0.00 66.41 66.39 1qvx h THR 980 Cb 0.00 0.72 -0.01 0.00 -1.07 0.00 0.00 68.15 67.79 1qvx h THR 980 CO 0.00 0.00 0.62 -0.74 -0.01 0.00 0.00 175.52 175.39 1qvx h HIS 981 N 0.00 0.00 0.05 0.00 2.76 -1.66 0.53 115.15 116.83 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1qvx h HIS 981 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1qvx h HIS 981 CO 0.00 0.00 -0.02 -0.09 -1.30 0.00 0.00 177.93 176.52 1qvx h ARG 982 N 0.00 -0.07 0.02 5.26 9.65 -1.85 -3.31 114.38 124.08 1qvx h ARG 982 Ca 0.08 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1qvx h ARG 982 Cb 1.32 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.92 1qvx h ARG 982 CO -0.00 0.45 -0.39 1.49 2.80 0.00 0.00 179.97 184.32 1qvx h GLU 983 N -0.95 0.24 -0.45 0.20 4.57 -0.93 -3.09 114.58 114.16 1qvx h GLU 983 Ca -0.01 -0.28 0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1qvx h GLU 983 Cb 0.55 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1qvx h GLU 983 CO 0.01 1.01 0.31 0.97 -1.18 0.00 0.00 179.01 180.13 1qvx h ILE 984 N -0.42 0.96 -0.11 2.32 2.10 -0.32 0.14 117.51 122.17 1qvx h ILE 984 Ca -0.05 -0.12 -0.17 0.00 1.08 0.00 0.00 64.86 65.59 1qvx h ILE 984 Cb 1.16 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1qvx h ILE 984 CO 0.08 0.07 -0.66 -0.33 -1.08 0.00 0.00 178.15 176.22 1qvx h GLU 985 N 0.36 0.44 0.80 2.19 5.08 -1.65 -2.50 114.58 119.31 1qvx h GLU 985 Ca 0.20 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1qvx h GLU 985 Cb 0.33 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1qvx h GLU 985 CO -0.05 0.95 -0.38 0.00 -1.00 0.00 0.00 179.01 178.53 1qvx h MET 986 N 0.32 -1.04 0.12 2.33 -0.00 -0.64 -3.00 114.93 113.02 1qvx h MET 986 Ca -0.02 0.07 -0.28 0.00 -0.00 0.00 0.00 59.70 59.47 1qvx h MET 986 Cb 1.22 0.24 -0.00 0.00 -0.00 0.00 0.00 31.60 33.05 1qvx h MET 986 CO 0.12 -0.69 -1.33 0.00 -0.00 0.00 0.00 176.91 175.01 1qvx h ALA 987 N -1.44 0.16 -0.17 -3.00 0.00 -1.65 -2.88 119.26 110.29 1qvx h ALA 987 Ca -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.83 1qvx h ALA 987 Cb 0.82 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1qvx h ALA 987 CO 0.18 1.04 0.05 0.37 0.00 0.00 0.00 179.25 180.89 1qvx h GLN 988 N 0.07 0.26 0.00 0.00 4.15 -1.56 0.54 115.11 118.57 1qvx h GLN 988 Ca -0.16 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.13 1qvx h GLN 988 Cb 1.98 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.62 1qvx h GLN 988 CO 0.19 0.38 -0.34 -0.22 -1.93 0.00 0.00 178.83 176.91 1qvx h LYS 989 N 0.09 0.00 -0.55 1.69 3.64 -1.66 -1.10 116.57 118.69 1qvx h LYS 989 Ca 0.05 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 989 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1qvx h LYS 989 CO -0.00 0.34 0.19 1.25 -2.27 0.00 0.00 179.45 178.96 1qvx h LEU 990 N 0.00 0.77 -1.10 5.20 5.85 -1.10 -2.64 115.31 122.30 1qvx h LEU 990 Ca -0.00 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1qvx h LEU 990 Cb 0.69 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1qvx h LEU 990 CO 0.04 0.76 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.45 1qvx h LEU 991 N 0.75 0.13 -0.41 2.25 3.38 0.90 -2.36 115.31 119.95 1qvx h LEU 991 Ca 0.18 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1qvx h LEU 991 Cb 0.24 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1qvx h LEU 991 CO -0.01 0.51 0.15 -1.13 0.09 0.00 0.00 178.44 178.05 1qvx h ASN 992 N 0.11 0.16 0.71 -0.43 -0.73 -0.86 0.29 115.58 114.83 1qvx h ASN 992 Ca 0.01 0.05 -0.19 0.00 1.87 0.00 0.00 56.30 58.04 1qvx h ASN 992 Cb 0.73 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1qvx h ASN 992 CO 0.05 0.13 -0.86 0.77 -0.37 0.00 0.00 177.43 177.16 1qvx h SER 993 N 0.32 0.13 0.00 1.15 4.64 -1.40 -3.05 113.55 115.33 1qvx h SER 993 Ca 0.19 -0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.19 1qvx h SER 993 Cb 0.17 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1qvx h SER 993 CO -0.19 0.92 -1.27 -0.90 -0.87 0.00 0.00 176.83 174.52 1qvx n ASP 994 N -3.61 1.86 -0.04 4.97 5.68 -0.92 -2.33 116.55 122.17 1qvx n ASP 994 Ca -0.02 0.45 -0.08 0.00 -0.50 0.00 0.00 54.79 54.64 1qvx n ASP 994 Cb 0.80 -0.93 -0.02 0.00 -1.14 0.00 0.00 41.12 39.84 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1qvx h LEU 995 N -1.00 -0.56 -0.36 -2.12 7.12 -0.63 0.22 115.31 117.98 1qvx h LEU 995 Ca -0.32 0.11 0.01 0.00 0.13 0.00 0.00 57.88 57.82 1qvx h LEU 995 Cb 1.19 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.57 1qvx h LEU 995 CO -0.19 -0.22 0.21 0.00 -0.13 0.00 0.00 178.44 178.11 1qvx h ALA 996 N 0.93 0.45 -0.18 1.25 0.00 -1.59 -2.01 119.26 118.11 1qvx h ALA 996 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1qvx h ALA 996 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 996 CO -0.32 -0.13 -0.16 1.05 0.00 0.00 0.00 179.25 179.69 1qvx h GLU 997 N 0.43 0.29 -0.49 0.00 4.11 -1.01 -2.25 114.58 115.66 1qvx h GLU 997 Ca 0.14 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.41 1qvx h GLU 997 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1qvx h GLU 997 CO -0.06 0.46 -0.02 -0.07 0.07 0.00 0.00 179.01 179.39 1qvx h LEU 998 N 0.27 0.87 -1.00 3.06 -0.00 -0.55 1.23 115.31 119.19 1qvx h LEU 998 Ca 0.05 -0.32 0.15 0.00 -0.00 0.00 0.00 57.88 57.77 1qvx h LEU 998 Cb 0.45 -0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 40.78 1qvx h LEU 998 CO 0.03 0.97 0.62 0.40 -0.00 0.00 0.00 178.44 180.46 1qvx h ILE 999 N 0.74 0.82 0.00 1.22 2.04 -0.90 0.15 117.51 121.58 1qvx h ILE 999 Ca 0.14 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1qvx h ILE 999 Cb 0.54 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1qvx h ILE 999 CO 0.03 0.16 -0.42 0.59 0.00 0.00 0.00 178.15 178.51 1qvx n ASN 1000N -4.69 0.42 0.07 1.72 3.02 -0.70 -2.01 115.26 113.09 1qvx n ASN 1000Ca 0.21 -0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1qvx n ASN 1000Cb 0.46 0.13 -0.15 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.00 0.36 0.12 3.52 1.63 0.41 0.52 116.57 123.13 1qvx h LYS 1001Ca 0.00 -0.62 -0.28 0.00 -0.85 0.00 0.00 60.65 58.90 1qvx h LYS 1001Cb 0.50 0.23 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1qvx h LYS 1001CO 0.00 1.28 -1.21 1.98 -3.45 0.00 0.00 179.45 178.05 1qvx h MET 1002N 0.10 0.39 0.25 1.90 4.05 -1.02 0.16 114.93 120.76 1qvx h MET 1002Ca -0.34 -0.58 -0.01 0.00 -0.28 0.00 0.00 59.70 58.49 1qvx h MET 1002Cb 2.09 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 33.09 1qvx h MET 1002CO 0.17 1.25 -0.12 -0.22 0.23 0.00 0.00 176.91 178.22 1qvx h LYS 1003N 0.15 -0.32 -0.91 0.39 3.64 -1.48 0.41 116.57 118.46 1qvx h LYS 1003Ca -0.15 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1qvx h LYS 1003Cb 1.90 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.73 1qvx h LYS 1003CO 0.21 -0.19 0.57 -0.07 -2.27 0.00 0.00 179.45 177.70 1qvx h LEU 1004N -0.36 0.92 -0.38 5.20 3.38 0.04 1.07 115.31 125.18 1qvx h LEU 1004Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qvx h LEU 1004Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1qvx h LEU 1004CO 0.06 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.39 1qvx h ALA 1005N 1.41 0.49 0.00 1.53 0.00 -0.32 0.07 119.26 122.44 1qvx h ALA 1005Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1qvx h ALA 1005Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qvx h ALA 1005CO -0.16 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.14 1qvx n GLN 1006N -4.75 0.04 0.00 0.00 1.13 0.14 -0.79 117.38 113.16 1qvx n GLN 1006Ca -0.00 0.06 0.13 0.00 -1.94 0.00 0.00 57.00 55.25 1qvx n GLN 1006Cb 0.08 -1.50 0.48 0.00 0.11 0.00 0.00 30.24 29.41 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1qvx n GLN 1007N -1.48 0.70 0.00 -1.09 -0.06 0.36 -3.58 117.38 112.24 1qvx n GLN 1007Ca 0.07 -0.34 0.00 0.00 -2.00 0.00 0.00 57.00 54.73 1qvx n GLN 1007Cb 0.29 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -0.85 0.00 -1.63 3.69 9.36 -0.15 -5.00 117.16 122.58 1qvx n TYR 1008Ca 0.13 -0.09 -0.51 0.00 3.32 0.00 0.00 57.90 60.75 1qvx n TYR 1008Cb 0.32 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.96 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N -0.09 0.43 0.00 2.97 3.14 0.03 -4.40 118.33 120.42 1qvx n VAL 1009Ca 0.00 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1qvx n VAL 1009Cb 0.15 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 1qvx n VAL 1009CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1qvx n MET 1010N 6.85 0.00 0.00 1.45 0.00 -1.26 -4.93 117.12 119.23 1qvx n MET 1010Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1qvx n MET 1010Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.47 1qvx n MET 1010CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1qvx n THR 1011N -1.22 0.00 0.17 1.12 -2.24 -1.26 -4.86 114.28 105.99 1qvx n THR 1011Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1qvx n THR 1011Cb 0.00 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.52 1qvx n THR 1011CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qvx h SER 1012N 0.00 0.00 -0.20 3.42 0.87 -2.01 -2.73 113.55 112.91 1qvx h SER 1012Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1qvx h SER 1012Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1qvx h SER 1012CO 0.00 0.44 0.14 -0.07 -0.53 0.00 0.00 176.83 176.81 1qvx h LEU 1013N 0.00 0.15 0.06 2.23 4.07 -1.91 -2.24 115.31 117.67 1qvx h LEU 1013Ca -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1qvx h LEU 1013Cb 0.95 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1qvx h LEU 1013CO 0.06 0.11 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.88 1qvx h GLN 1014N 0.18 -0.08 -0.74 1.13 -0.00 -1.69 -2.63 115.11 111.28 1qvx h GLN 1014Ca 0.08 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1qvx h GLN 1014Cb 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.58 1qvx h GLN 1014CO -0.01 0.12 0.44 1.96 0.00 0.00 0.00 178.83 181.33 1qvx h GLN 1015N -0.27 1.00 -0.50 1.69 4.20 -1.54 0.67 115.11 120.35 1qvx h GLN 1015Ca -0.01 -0.09 0.10 0.00 0.06 0.00 0.00 58.65 58.71 1qvx h GLN 1015Cb 0.24 -0.21 -0.10 0.00 0.30 0.00 0.00 27.48 27.71 1qvx h GLN 1015CO 0.01 0.71 -0.13 1.49 -0.67 0.00 0.00 178.83 180.25 1qvx h GLU 1016N 1.02 -0.00 0.00 1.46 4.81 -1.23 0.62 114.58 121.25 1qvx h GLU 1016Ca 0.26 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1qvx h GLU 1016Cb -0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1qvx h GLU 1016CO -0.05 -0.00 -0.45 1.88 -0.73 0.00 0.00 179.01 179.66 1qvx h TYR 1017N -0.00 0.00 0.00 0.92 -1.99 -0.80 -2.66 116.97 112.45 1qvx h TYR 1017Ca 0.24 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.89 1qvx h TYR 1017Cb 0.37 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1qvx h TYR 1017CO -0.43 0.45 -0.38 -0.22 -0.00 0.00 0.00 178.16 177.58 1qvx h LYS 1018N 0.00 0.00 0.65 4.88 3.64 0.57 -1.00 116.57 125.31 1qvx h LYS 1018Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1qvx h LYS 1018Cb 0.90 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1qvx h LYS 1018CO 0.06 0.38 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.09 1qvx h LYS 1019N 0.00 -0.84 -0.93 1.90 3.64 0.53 0.45 116.57 121.31 1qvx h LYS 1019Ca -0.00 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.66 1qvx h LYS 1019Cb 1.04 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 1qvx h LYS 1019CO 0.05 -0.56 0.46 1.96 -2.27 0.00 0.00 179.45 179.09 1qvx h GLN 1020N -1.14 0.44 -0.42 1.90 7.50 -1.59 -1.82 115.11 119.98 1qvx h GLN 1020Ca -0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 1qvx h GLN 1020Cb 0.67 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.08 1qvx h GLN 1020CO 0.15 0.29 0.16 1.98 -1.50 0.00 0.00 178.83 179.91 1qvx h MET 1021N 0.45 0.64 -0.75 1.46 4.05 -0.94 -2.40 114.93 117.44 1qvx h MET 1021Ca 0.59 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.89 1qvx h MET 1021Cb 1.13 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.79 1qvx h MET 1021CO -0.52 0.60 0.47 1.25 0.23 0.00 0.00 176.91 178.94 1qvx h LEU 1022N 0.54 0.88 -0.99 3.39 5.85 0.73 0.53 115.31 126.24 1qvx h LEU 1022Ca 0.14 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1qvx h LEU 1022Cb 0.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qvx h LEU 1022CO -0.01 0.67 -0.42 0.74 -0.34 0.00 0.00 178.44 179.08 1qvx h THR 1023N 1.03 1.31 0.20 1.05 2.02 -1.27 -1.92 112.91 115.32 1qvx h THR 1023Ca 0.27 -1.52 -0.32 0.00 0.77 0.00 0.00 66.41 65.61 1qvx h THR 1023Cb -0.07 1.72 0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1qvx h THR 1023CO -0.05 0.45 -1.38 0.00 0.37 0.00 0.00 175.52 174.91 1qvx h ALA 1024N 1.42 -0.08 -0.48 6.16 0.00 -0.59 -2.91 119.26 122.78 1qvx h ALA 1024Ca 0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 1qvx h ALA 1024Cb 0.81 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1qvx h ALA 1024CO 0.06 0.73 0.09 0.00 0.00 0.00 0.00 179.25 180.13 1qvx h ALA 1025N 0.26 1.26 -0.07 0.00 0.00 0.08 0.16 119.26 120.94 1qvx h ALA 1025Ca -0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1qvx h ALA 1025Cb 2.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1qvx h ALA 1025CO 0.26 0.51 -0.29 1.25 0.00 0.00 0.00 179.25 180.98 1qvx h HIS 1026N 0.71 0.14 0.03 0.00 2.76 -1.37 -0.35 115.15 117.07 1qvx h HIS 1026Ca 0.16 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1qvx h HIS 1026Cb 0.31 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1qvx h HIS 1026CO 0.02 0.41 -0.02 0.00 -1.30 0.00 0.00 177.93 177.04 1qvx h ALA 1027N 1.59 -0.04 -0.12 5.26 0.00 -0.94 -2.04 119.26 122.97 1qvx h ALA 1027Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1qvx h ALA 1027Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1qvx h ALA 1027CO 0.04 -0.33 -0.29 1.37 0.00 0.00 0.00 179.25 180.04 1qvx h LEU 1028N -0.44 0.22 -0.47 0.00 -0.00 -0.80 0.14 115.31 113.96 1qvx h LEU 1028Ca -0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1qvx h LEU 1028Cb 0.41 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1qvx h LEU 1028CO 0.01 0.51 0.25 0.00 -0.00 0.00 0.00 178.44 179.21 1qvx h ALA 1029N 1.51 0.60 0.00 0.17 0.00 -1.07 0.27 119.26 120.74 1qvx h ALA 1029Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 1029Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qvx h ALA 1029CO 0.05 0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.70 1qvx h VAL 1030N 0.61 0.00 0.08 0.00 2.07 -0.49 0.11 116.25 118.63 1qvx h VAL 1030Ca 0.16 -0.78 -0.30 0.00 0.82 0.00 0.00 66.70 66.61 1qvx h VAL 1030Cb 0.06 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1qvx h VAL 1030CO -0.03 0.00 -1.56 0.44 0.02 0.00 0.00 177.57 176.44 1qvx h ASP 1031N 0.00 0.27 -0.37 0.57 3.32 -0.57 0.16 116.42 119.81 1qvx h ASP 1031Ca 0.00 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.70 1qvx h ASP 1031Cb 0.82 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 1qvx h ASP 1031CO 0.00 1.35 -0.02 0.00 -1.72 0.00 0.00 179.24 178.86 1qvx h ALA 1032N 0.60 0.32 0.00 3.45 0.00 -0.31 -1.55 119.26 121.77 1qvx h ALA 1032Ca -0.25 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 1032Cb 1.99 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 1qvx h ALA 1032CO 0.13 -0.41 -0.05 -0.22 0.00 0.00 0.00 179.25 178.71 1qvx h LYS 1033N 0.08 0.00 -0.03 0.00 3.64 -0.68 -1.95 116.57 117.63 1qvx h LYS 1033Ca 0.18 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 1qvx h LYS 1033Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1qvx h LYS 1033CO -0.32 0.05 -0.82 -0.97 -2.27 0.00 0.00 179.45 175.12 1qvx h ASN 1034N 0.00 0.41 1.47 4.20 -1.24 0.27 -3.10 115.58 117.59 1qvx h ASN 1034Ca -0.00 -0.30 -0.07 0.00 0.71 0.00 0.00 56.30 56.64 1qvx h ASN 1034Cb 0.09 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1qvx h ASN 1034CO 0.01 1.06 -0.33 0.25 -1.29 0.00 0.00 177.43 177.12 1qvx h LEU 1035N 0.20 0.00 -0.53 0.34 5.85 -0.61 -0.96 115.31 119.61 1qvx h LEU 1035Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1qvx h LEU 1035Cb 1.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1qvx h LEU 1035CO 0.13 0.33 0.19 0.17 -0.34 0.00 0.00 178.44 178.93 1qvx h LEU 1036N 0.00 0.74 -0.53 2.25 8.10 -1.34 0.32 115.31 124.86 1qvx h LEU 1036Ca -0.00 -0.19 -0.02 0.00 0.11 0.00 0.00 57.88 57.78 1qvx h LEU 1036Cb 1.16 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 41.16 1qvx h LEU 1036CO 0.04 0.73 0.24 -0.78 -4.11 0.00 0.00 178.44 174.56 1qvx h ASP 1037N 0.72 0.70 0.01 0.17 1.82 -1.44 0.18 116.42 118.58 1qvx h ASP 1037Ca 0.17 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1qvx h ASP 1037Cb 0.23 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1qvx h ASP 1037CO -0.01 0.65 -0.02 0.58 -1.61 0.00 0.00 179.24 178.83 1qvx h VAL 1038N 0.71 0.00 0.00 2.25 2.07 -0.49 -2.17 116.25 118.61 1qvx h VAL 1038Ca 0.18 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.58 1qvx h VAL 1038Cb 0.15 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1qvx h VAL 1038CO -0.02 0.00 -0.58 0.16 0.02 0.00 0.00 177.57 177.15 1qvx h ILE 1039N -0.03 1.07 -0.59 4.57 3.07 -0.40 1.01 117.51 126.21 1qvx h ILE 1039Ca -0.00 -2.31 0.12 0.00 1.55 0.00 0.00 64.86 64.22 1qvx h ILE 1039Cb 0.03 2.39 -0.10 0.00 -0.27 0.00 0.00 36.82 38.87 1qvx h ILE 1039CO -0.01 0.57 0.00 -0.78 -1.05 0.00 0.00 178.15 176.89 1qvx h ASP 1040N 0.00 -0.25 1.45 2.16 1.82 -0.74 -0.24 116.42 120.61 1qvx h ASP 1040Ca -0.01 0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.69 1qvx h ASP 1040Cb 1.35 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.60 1qvx h ASP 1040CO 0.08 -0.10 -0.42 1.56 -1.61 0.00 0.00 179.24 178.74 1qvx h GLN 1041N 0.12 0.00 0.20 0.28 4.20 -0.65 -3.09 115.11 116.18 1qvx h GLN 1041Ca 0.31 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.03 1qvx h GLN 1041Cb 0.49 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1qvx h GLN 1041CO -0.50 0.42 -0.34 0.00 -0.67 0.00 0.00 178.83 177.75 1qvx h ALA 1042N 1.58 -0.63 -0.45 3.87 0.00 0.22 1.83 119.26 125.67 1qvx h ALA 1042Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1qvx h ALA 1042Cb 1.26 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1qvx h ALA 1042CO 0.06 -0.90 0.32 -0.09 0.00 0.00 0.00 179.25 178.63 1qvx h ARG 1043N -0.61 0.04 -0.05 0.00 9.65 -1.12 0.32 114.38 122.61 1qvx h ARG 1043Ca 0.01 -0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.67 1qvx h ARG 1043Cb 0.61 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1qvx h ARG 1043CO -0.15 0.03 -0.87 1.25 2.80 0.00 0.00 179.97 183.03 1qvx h LEU 1044N 0.04 0.68 -1.11 3.80 5.85 -1.19 -3.07 115.31 120.31 1qvx h LEU 1044Ca 0.22 -0.50 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 1044Cb 0.81 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1qvx h LEU 1044CO -0.01 1.28 0.61 0.11 -0.34 0.00 0.00 178.44 180.09 1qvx h LYS 1045N 0.34 0.82 -0.53 1.25 6.56 0.63 0.62 116.57 126.26 1qvx h LYS 1045Ca -0.07 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1qvx h LYS 1045Cb 1.50 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 1qvx h LYS 1045CO 0.16 0.54 0.33 1.98 -2.06 0.00 0.00 179.45 180.40 1qvx h MET 1046N 0.84 0.71 0.00 3.15 4.05 -0.63 -1.45 114.93 121.60 1qvx h MET 1046Ca 0.50 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.77 1qvx h MET 1046Cb 0.66 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1qvx h MET 1046CO -0.27 0.50 -0.46 0.82 0.23 0.00 0.00 176.91 177.73 1qvx h ILE 1047N 0.71 1.20 0.39 1.77 1.08 -0.99 -2.53 117.51 119.15 1qvx h ILE 1047Ca 0.19 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.01 1qvx h ILE 1047Cb -0.04 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1qvx h ILE 1047CO -0.04 0.45 -0.24 0.28 -0.69 0.00 0.00 178.15 177.91 1qvx h SER 1048N 0.00 -0.59 1.23 1.72 0.02 0.12 0.58 113.55 116.63 1qvx h SER 1048Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1qvx h SER 1048Cb 0.88 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1qvx h SER 1048CO 0.06 -0.38 -0.00 1.67 -1.14 0.00 0.00 176.83 177.04 1qvx n GLN 1049N -5.37 0.13 0.00 3.45 7.27 -0.97 -1.95 117.38 119.94 1qvx n GLN 1049Ca -0.10 0.10 0.15 0.00 0.07 0.00 0.00 57.00 57.22 1qvx n GLN 1049Cb 0.27 -1.65 0.77 0.00 2.41 0.00 0.00 30.24 32.04 1qvx n GLN 1049CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1qvx n SER 1050N -1.87 0.49 -4.19 1.69 2.88 -0.77 -4.46 113.62 107.38 1qvx n SER 1050Ca 0.06 -1.03 -0.41 0.00 -1.33 0.00 0.00 58.87 56.16 1qvx n SER 1050Cb 0.38 -0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1qvx n SER 1050CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qvx s ARG 1051N -2.10 2.90 0.24 -1.46 6.06 0.13 -5.00 118.95 119.71 1qvx s ARG 1051Ca 0.41 -2.37 -0.30 0.00 -2.50 0.00 0.00 55.73 50.97 1qvx s ARG 1051Cb 0.21 -4.00 -0.09 0.00 0.06 0.00 0.00 34.95 31.13 1qvx s ARG 1051CO 0.38 -1.22 1.30 -2.14 -2.50 0.00 0.00 175.30 171.12 1qvx s PRO 1052N 0.27 4.40 0.00 5.12 0.02 -1.26 -4.97 135.00 138.57 1qvx s PRO 1052Ca 0.15 2.09 0.27 0.00 0.02 0.00 0.00 61.00 63.53 1qvx s PRO 1052Cb -0.18 -3.16 0.85 0.00 0.02 0.00 0.00 34.50 32.04 1qvx s PRO 1052CO -0.05 -0.20 1.63 0.72 -0.33 0.00 0.00 177.00 178.77