#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 -3.37 -4.02 2.89 7.64 -1.26 -4.07 113.62 111.44 1qvx n SER 921 Ca 0.00 0.11 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 1qvx n SER 921 Cb 0.00 -1.76 -0.01 0.00 -1.01 0.00 0.00 64.21 61.43 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 0.98 -2.45 -3.30 6.43 4.13 -1.26 -4.91 115.26 114.88 1qvx n ASN 922 Ca -0.06 -1.18 -0.05 0.00 1.68 0.00 0.00 54.58 54.97 1qvx n ASN 922 Cb 0.30 -2.31 0.05 0.00 -1.54 0.00 0.00 39.78 36.28 1qvx n ASN 922 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qvx n ASP 923 N -2.60 -1.72 -0.11 6.41 8.00 -1.26 -3.50 116.55 121.77 1qvx n ASP 923 Ca -0.20 -0.15 0.17 0.00 0.71 0.00 0.00 54.79 55.32 1qvx n ASP 923 Cb 0.63 -0.34 0.26 0.00 -0.02 0.00 0.00 41.12 41.64 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qvx n LYS 924 N -0.27 0.01 0.18 -1.24 0.00 -1.26 0.38 118.16 115.97 1qvx n LYS 924 Ca 0.02 0.66 -0.15 0.00 0.00 0.00 0.00 58.31 58.85 1qvx n LYS 924 Cb 0.10 -1.66 -0.08 0.00 0.00 0.00 0.00 35.03 33.39 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 0.71 0.00 3.15 -1.51 -1.87 0.41 116.25 117.14 1qvx h VAL 925 Ca 0.30 -0.17 -0.14 0.00 -1.23 0.00 0.00 66.70 65.45 1qvx h VAL 925 Cb 1.87 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 1qvx h VAL 925 CO -0.00 0.04 -0.67 0.22 -1.23 0.00 0.00 177.57 175.92 1qvx h TYR 926 N -0.51 0.00 0.68 5.19 3.20 -0.11 -3.08 116.97 122.33 1qvx h TYR 926 Ca -0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1qvx h TYR 926 Cb 0.38 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.66 1qvx h TYR 926 CO -0.03 0.67 -0.33 0.93 -1.64 0.00 0.00 178.16 177.76 1qvx h GLU 927 N 0.00 -0.88 -0.17 1.82 5.08 -1.42 -2.57 114.58 116.44 1qvx h GLU 927 Ca -0.01 0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1qvx h GLU 927 Cb 1.44 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1qvx h GLU 927 CO 0.09 -0.59 -0.46 -0.97 -1.00 0.00 0.00 179.01 176.08 1qvx h ASN 928 N -1.14 0.46 -0.35 1.42 -0.00 -1.02 -0.02 115.58 114.93 1qvx h ASN 928 Ca -0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 56.30 55.96 1qvx h ASN 928 Cb 0.70 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.87 1qvx h ASN 928 CO 0.15 0.85 0.14 1.62 -0.00 0.00 0.00 177.43 180.19 1qvx h VAL 929 N 0.34 1.17 -0.27 2.57 3.04 -1.63 0.28 116.25 121.75 1qvx h VAL 929 Ca 0.02 -0.56 -0.11 0.00 -1.01 0.00 0.00 66.70 65.04 1qvx h VAL 929 Cb 0.94 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1qvx h VAL 929 CO 0.08 0.21 -0.30 0.74 -1.01 0.00 0.00 177.57 177.29 1qvx h THR 930 N 0.58 1.28 -0.09 3.17 2.02 -0.93 -2.05 112.91 116.89 1qvx h THR 930 Ca 0.14 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 65.97 1qvx h THR 930 Cb 0.16 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1qvx h THR 930 CO -0.01 0.44 0.07 1.23 0.37 0.00 0.00 175.52 177.62 1qvx h GLY 931 N 1.03 0.00 0.99 2.16 0.00 0.10 -0.03 103.07 107.32 1qvx h GLY 931 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1qvx h GLY 931 CO 0.06 0.00 0.21 -2.00 0.00 0.00 0.00 176.54 174.81 1qvx h LEU 932 N 0.00 0.78 -0.92 3.11 6.46 0.17 0.11 115.31 125.03 1qvx h LEU 932 Ca 0.04 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 1qvx h LEU 932 Cb 0.19 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1qvx h LEU 932 CO -0.00 0.75 0.16 0.58 -0.62 0.00 0.00 178.44 179.31 1qvx h VAL 933 N 0.77 1.24 -0.27 1.05 2.07 -1.01 -1.13 116.25 118.98 1qvx h VAL 933 Ca 0.19 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1qvx h VAL 933 Cb 0.22 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1qvx h VAL 933 CO -0.01 0.33 -0.11 0.11 0.02 0.00 0.00 177.57 177.91 1qvx h LYS 934 N 0.92 0.45 0.00 1.57 1.79 -0.48 -0.49 116.57 120.32 1qvx h LYS 934 Ca 0.20 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 1qvx h LYS 934 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1qvx h LYS 934 CO -0.00 0.56 -0.50 0.00 -1.08 0.00 0.00 179.45 178.43 1qvx h ALA 935 N 1.47 0.79 0.00 3.86 0.00 -0.17 -1.90 119.26 123.31 1qvx h ALA 935 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qvx h ALA 935 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qvx h ALA 935 CO 0.02 0.62 -0.24 1.55 0.00 0.00 0.00 179.25 181.21 1qvx n VAL 936 N -3.39 0.43 0.00 0.00 3.14 -0.48 -2.39 118.33 115.64 1qvx n VAL 936 Ca 0.01 -0.24 -0.08 0.00 -2.96 0.00 0.00 64.34 61.07 1qvx n VAL 936 Cb 0.65 -0.38 0.09 0.00 -1.06 0.00 0.00 33.84 33.14 1qvx n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1qvx h ILE 937 N 0.00 1.31 -0.74 1.55 1.08 -0.54 -2.12 117.51 118.05 1qvx h ILE 937 Ca 0.00 -1.65 0.10 0.00 -0.39 0.00 0.00 64.86 62.92 1qvx h ILE 937 Cb 0.71 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 36.02 1qvx h ILE 937 CO 0.00 0.52 0.38 -0.33 -0.69 0.00 0.00 178.15 178.02 1qvx h GLU 938 N 0.44 0.61 -0.67 2.37 5.08 -0.99 0.48 114.58 121.89 1qvx h GLU 938 Ca 0.03 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1qvx h GLU 938 Cb 0.97 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1qvx h GLU 938 CO 0.09 0.40 0.42 1.98 -1.00 0.00 0.00 179.01 180.89 1qvx h MET 939 N 0.62 0.79 -0.47 2.33 4.05 -1.22 0.42 114.93 121.45 1qvx h MET 939 Ca 0.37 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.66 1qvx h MET 939 Cb 0.41 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1qvx h MET 939 CO -0.28 0.52 -0.03 0.77 0.23 0.00 0.00 176.91 178.12 1qvx h SER 940 N 0.81 0.77 0.06 1.39 0.02 -0.60 -0.85 113.55 115.16 1qvx h SER 940 Ca 0.27 -0.20 -0.20 0.00 -0.84 0.00 0.00 61.79 60.82 1qvx h SER 940 Cb 0.04 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.39 1qvx h SER 940 CO -0.11 0.86 -0.83 0.28 -1.14 0.00 0.00 176.83 175.88 1qvx h SER 941 N 0.74 0.62 -0.12 3.07 0.02 -0.48 -3.10 113.55 114.31 1qvx h SER 941 Ca 0.14 -0.82 0.04 0.00 -0.84 0.00 0.00 61.79 60.31 1qvx h SER 941 Cb 0.50 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1qvx h SER 941 CO 0.03 1.38 -0.44 0.11 -1.14 0.00 0.00 176.83 176.76 1qvx h LYS 942 N -0.05 -0.50 0.00 3.45 1.79 -0.05 -2.37 116.57 118.84 1qvx h LYS 942 Ca -0.12 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1qvx h LYS 942 Cb 1.56 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1qvx h LYS 942 CO 0.16 -0.33 -0.12 0.97 -1.08 0.00 0.00 179.45 179.05 1qvx h ILE 943 N -0.52 1.01 0.04 1.86 2.10 -1.22 -2.27 117.51 118.51 1qvx h ILE 943 Ca 0.06 -0.41 0.02 0.00 1.08 0.00 0.00 64.86 65.62 1qvx h ILE 943 Cb 0.64 1.22 -0.05 0.00 -1.09 0.00 0.00 36.82 37.55 1qvx h ILE 943 CO -0.40 0.11 -0.50 1.56 -1.08 0.00 0.00 178.15 177.85 1qvx h GLN 944 N 0.00 -0.63 -0.07 2.19 4.20 -1.34 -2.67 115.11 116.80 1qvx h GLN 944 Ca -0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1qvx h GLN 944 Cb 0.21 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1qvx h GLN 944 CO 0.02 -0.42 0.00 -0.35 -0.67 0.00 0.00 178.83 177.40 1qvx n PRO 945 N -5.27 1.91 -3.37 1.46 -0.04 -1.20 -4.98 135.00 123.52 1qvx n PRO 945 Ca -0.07 -1.34 -0.33 0.00 -0.04 0.00 0.00 63.50 61.72 1qvx n PRO 945 Cb 0.38 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvx s ALA 946 N -1.94 3.55 0.80 0.55 0.00 -0.86 -5.10 121.76 118.76 1qvx s ALA 946 Ca 0.35 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 1qvx s ALA 946 Cb 0.20 -2.50 0.13 0.00 0.00 0.00 0.00 23.12 20.96 1qvx s ALA 946 CO 0.31 0.48 1.12 -1.25 0.00 0.00 0.00 175.76 176.42 1qvx s PRO 947 N -2.57 1.48 0.51 0.00 0.05 -1.26 -4.88 135.00 128.33 1qvx s PRO 947 Ca 0.45 -0.59 0.28 0.00 0.05 0.00 0.00 61.00 61.19 1qvx s PRO 947 Cb -0.12 -2.11 1.39 0.00 0.05 0.00 0.00 34.50 33.71 1qvx s PRO 947 CO 0.20 -1.73 1.90 -1.00 0.05 0.00 0.00 177.00 176.43 1qvx h PRO 948 N -0.95 0.08 -0.50 0.56 0.13 -1.97 0.15 132.00 129.51 1qvx h PRO 948 Ca -0.42 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1qvx h PRO 948 Cb 1.27 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1qvx h PRO 948 CO 0.46 0.05 0.33 0.93 -0.23 0.00 0.00 178.00 179.54 1qvx h GLU 949 N 0.08 0.38 -0.03 0.86 5.08 -1.93 0.14 114.58 119.16 1qvx h GLU 949 Ca 0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1qvx h GLU 949 Cb 1.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1qvx h GLU 949 CO -0.04 0.25 -0.02 0.39 -1.00 0.00 0.00 179.01 178.59 1qvx n GLU 950 N -4.47 2.19 -0.14 2.33 4.71 0.48 -4.10 120.64 121.64 1qvx n GLU 950 Ca 0.07 -1.76 -0.06 0.00 -0.01 0.00 0.00 57.16 55.40 1qvx n GLU 950 Cb 0.28 -1.46 0.12 0.00 -1.01 0.00 0.00 31.44 29.36 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 4.29 0.94 0.08 -0.32 -1.99 -0.07 0.30 116.97 120.20 1qvx h TYR 951 Ca 0.00 -0.14 -0.15 0.00 2.00 0.00 0.00 58.73 60.44 1qvx h TYR 951 Cb 0.92 -0.25 0.02 0.00 2.00 0.00 0.00 36.73 39.42 1qvx h TYR 951 CO 0.00 0.85 -0.64 -0.24 -0.00 0.00 0.00 178.16 178.14 1qvx h VAL 952 N 0.81 1.51 -0.52 -2.88 3.04 -1.71 -3.08 116.25 113.42 1qvx h VAL 952 Ca 0.15 -2.34 0.15 0.00 -1.01 0.00 0.00 66.70 63.66 1qvx h VAL 952 Cb 0.49 3.01 -0.02 0.00 -2.01 0.00 0.00 31.29 32.76 1qvx h VAL 952 CO 0.02 0.66 0.42 -0.65 -1.01 0.00 0.00 177.57 177.02 1qvx h PRO 953 N -0.36 0.00 -0.15 4.17 0.11 -1.69 -0.22 132.00 133.86 1qvx h PRO 953 Ca -0.10 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.81 1qvx h PRO 953 Cb 1.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1qvx h PRO 953 CO 0.12 0.00 -0.70 0.00 -0.21 0.00 0.00 178.00 177.21 1qvx h MET 954 N 0.00 0.65 0.00 1.05 -0.00 -0.44 -2.09 114.93 114.11 1qvx h MET 954 Ca 0.25 -0.50 -0.03 0.00 -0.00 0.00 0.00 59.70 59.42 1qvx h MET 954 Cb 1.09 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1qvx h MET 954 CO -0.00 1.12 -0.16 -0.24 -0.00 0.00 0.00 176.91 177.63 1qvx h VAL 955 N 0.46 0.76 -0.94 -0.10 3.04 -1.11 -1.91 116.25 116.45 1qvx h VAL 955 Ca -0.03 -0.62 0.07 0.00 -1.01 0.00 0.00 66.70 65.11 1qvx h VAL 955 Cb 1.30 1.37 -0.07 0.00 -2.01 0.00 0.00 31.29 31.89 1qvx h VAL 955 CO 0.14 0.15 0.60 0.50 -1.01 0.00 0.00 177.57 177.95 1qvx h LYS 956 N 0.00 1.04 -0.52 4.17 3.64 -0.39 0.31 116.57 124.82 1qvx h LYS 956 Ca -0.00 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1qvx h LYS 956 Cb 0.36 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1qvx h LYS 956 CO 0.02 0.69 0.21 0.93 -2.27 0.00 0.00 179.45 179.03 1qvx h GLU 957 N 1.07 0.40 0.00 1.90 4.39 -1.11 0.75 114.58 121.98 1qvx h GLU 957 Ca 0.41 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 1qvx h GLU 957 Cb 0.19 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1qvx h GLU 957 CO -0.18 0.26 -0.17 -0.39 -1.16 0.00 0.00 179.01 177.37 1qvx h VAL 958 N 0.41 0.39 -0.24 3.13 -1.51 -1.26 -2.47 116.25 114.71 1qvx h VAL 958 Ca 0.25 -1.06 -0.09 0.00 -1.23 0.00 0.00 66.70 64.57 1qvx h VAL 958 Cb 0.24 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1qvx h VAL 958 CO -0.23 0.17 -0.19 1.23 -1.23 0.00 0.00 177.57 177.32 1qvx h GLY 959 N 2.38 0.60 2.00 5.19 0.00 0.14 -2.09 103.07 111.30 1qvx h GLY 959 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1qvx h GLY 959 CO 0.02 0.53 -0.08 1.41 0.00 0.00 0.00 176.54 178.43 1qvx h LEU 960 N 0.26 0.00 0.75 3.11 -0.00 -0.87 -2.36 115.31 116.20 1qvx h LEU 960 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1qvx h LEU 960 Cb 0.73 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.40 1qvx h LEU 960 CO 0.05 0.08 -0.36 0.00 -0.00 0.00 0.00 178.44 178.20 1qvx h ALA 961 N 1.92 -1.01 -0.20 1.53 0.00 -0.90 0.66 119.26 121.27 1qvx h ALA 961 Ca -0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1qvx h ALA 961 Cb 0.25 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1qvx h ALA 961 CO 0.01 -1.04 -0.36 1.25 0.00 0.00 0.00 179.25 179.11 1qvx h LEU 962 N -1.07 0.45 0.50 0.00 5.85 -1.45 -0.63 115.31 118.97 1qvx h LEU 962 Ca -0.10 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1qvx h LEU 962 Cb 0.79 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1qvx h LEU 962 CO 0.17 0.78 -0.26 0.03 -0.34 0.00 0.00 178.44 178.82 1qvx h ARG 963 N 0.37 -0.68 -0.59 1.25 3.08 -1.35 0.37 114.38 116.84 1qvx h ARG 963 Ca 0.04 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1qvx h ARG 963 Cb 0.81 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1qvx h ARG 963 CO 0.07 -0.45 0.39 1.15 -1.07 0.00 0.00 179.97 180.05 1qvx h THR 964 N -0.70 1.00 0.00 2.04 2.02 -0.86 0.14 112.91 116.55 1qvx h THR 964 Ca -0.06 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1qvx h THR 964 Cb 0.55 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1qvx h THR 964 CO 0.10 0.11 -0.17 0.25 0.37 0.00 0.00 175.52 176.17 1qvx h LEU 965 N 0.58 0.00 -1.43 2.58 7.12 -0.54 -2.04 115.31 121.58 1qvx h LEU 965 Ca 0.25 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.20 1qvx h LEU 965 Cb 0.26 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1qvx h LEU 965 CO -0.07 0.17 -0.28 0.25 -0.13 0.00 0.00 178.44 178.38 1qvx h LEU 966 N 0.00 0.00 -0.40 2.25 7.12 0.26 0.20 115.31 124.74 1qvx h LEU 966 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1qvx h LEU 966 Cb 0.32 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 1qvx h LEU 966 CO 0.02 0.28 0.07 0.00 -0.13 0.00 0.00 178.44 178.68 1qvx h ALA 967 N 1.72 0.54 -0.98 1.25 0.00 -1.25 -2.39 119.26 118.14 1qvx h ALA 967 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 967 Cb 0.56 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1qvx h ALA 967 CO 0.04 0.25 0.64 1.15 0.00 0.00 0.00 179.25 181.33 1qvx h THR 968 N 0.52 1.16 -0.62 0.00 2.02 -1.09 -0.17 112.91 114.74 1qvx h THR 968 Ca 0.12 -0.42 0.17 0.00 0.77 0.00 0.00 66.41 67.05 1qvx h THR 968 Cb 0.37 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1qvx h THR 968 CO 0.01 0.22 0.44 0.58 0.37 0.00 0.00 175.52 177.14 1qvx h VAL 969 N 1.23 0.71 0.00 3.16 2.07 -0.23 0.49 116.25 123.68 1qvx h VAL 969 Ca 0.39 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 1qvx h VAL 969 Cb 0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1qvx h VAL 969 CO -0.13 0.01 -0.30 -0.78 0.02 0.00 0.00 177.57 176.40 1qvx h ASP 970 N 0.05 0.00 0.05 0.57 3.58 -0.54 1.08 116.42 121.21 1qvx h ASP 970 Ca 0.29 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 1qvx h ASP 970 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1qvx h ASP 970 CO -0.02 0.30 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.28 1qvx h GLU 971 N 0.00 -0.06 0.00 0.28 4.39 -0.85 -3.24 114.58 115.09 1qvx h GLU 971 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1qvx h GLU 971 Cb 0.96 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1qvx h GLU 971 CO 0.04 0.48 -0.12 1.03 -1.16 0.00 0.00 179.01 179.27 1qvx h SER 972 N -0.66 0.00 0.01 1.42 0.87 -1.00 -3.21 113.55 110.99 1qvx h SER 972 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1qvx h SER 972 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1qvx h SER 972 CO 0.01 0.12 -0.01 0.25 -0.53 0.00 0.00 176.83 176.68 1qvx h LEU 973 N 0.00 -0.02 -2.31 2.23 5.85 0.12 0.40 115.31 121.58 1qvx h LEU 973 Ca -0.00 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1qvx h LEU 973 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1qvx h LEU 973 CO 0.02 0.18 0.05 -0.65 -0.34 0.00 0.00 178.44 177.69 1qvx h PRO 974 N -0.21 0.00 0.00 5.25 0.11 -1.66 0.21 132.00 135.70 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 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 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 0.38 3.15 2.07 -1.14 -3.11 116.25 117.60 1qvx h VAL 975 Ca 0.02 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1qvx h VAL 975 Cb 0.12 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1qvx h VAL 975 CO -0.00 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 177.66 1qvx h LEU 976 N 0.00 -0.43 -2.17 2.57 6.46 0.31 0.79 115.31 122.83 1qvx h LEU 976 Ca 0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1qvx h LEU 976 Cb 0.63 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1qvx h LEU 976 CO 0.00 -0.14 -0.06 -0.65 -0.62 0.00 0.00 178.44 176.97 1qvx h PRO 977 N -0.74 0.00 0.51 5.25 0.11 -1.62 -2.92 132.00 132.60 1qvx h PRO 977 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1qvx h PRO 977 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1qvx h PRO 977 CO 0.09 0.06 -0.24 0.00 -0.21 0.00 0.00 178.00 177.69 1qvx h ALA 978 N 1.94 -0.78 0.00 -0.75 0.00 -1.41 -3.49 119.26 114.77 1qvx h ALA 978 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qvx h ALA 978 Cb 0.16 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 978 CO 0.01 -0.73 0.00 0.43 0.00 0.00 0.00 179.25 178.96 1qvx n SER 979 N -4.78 -0.08 0.20 0.00 7.64 0.25 -4.98 113.62 111.88 1qvx n SER 979 Ca -0.08 0.02 0.09 0.00 1.01 0.00 0.00 58.87 59.91 1qvx n SER 979 Cb 0.27 0.48 0.49 0.00 -1.01 0.00 0.00 64.21 64.44 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 -0.09 0.44 1.03 -1.11 -3.18 112.91 109.99 1qvx h THR 980 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.43 1qvx h THR 980 Cb 0.00 0.40 -0.00 0.00 -1.07 0.00 0.00 68.15 67.47 1qvx h THR 980 CO 0.00 0.00 0.62 1.12 -0.01 0.00 0.00 175.52 177.25 1qvx h HIS 981 N 0.00 0.00 0.04 0.00 -0.00 -1.69 0.15 115.15 113.65 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qvx h HIS 981 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1qvx h HIS 981 CO 0.00 0.00 -0.02 -0.09 -0.00 0.00 0.00 177.93 177.82 1qvx h ARG 982 N 0.00 -0.05 0.04 5.12 9.65 -1.87 -3.05 114.38 124.22 1qvx h ARG 982 Ca 0.04 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.66 1qvx h ARG 982 Cb 1.29 0.01 0.02 0.00 -1.39 0.00 0.00 29.97 29.90 1qvx h ARG 982 CO -0.00 0.62 -1.10 1.49 2.80 0.00 0.00 179.97 183.79 1qvx h GLU 983 N -0.89 0.62 0.00 0.20 4.57 -1.40 -3.03 114.58 114.65 1qvx h GLU 983 Ca -0.00 -0.72 -0.02 0.00 -1.18 0.00 0.00 59.36 57.44 1qvx h GLU 983 Cb 0.69 0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1qvx h GLU 983 CO 0.01 1.30 -0.08 0.97 -1.18 0.00 0.00 179.01 180.03 1qvx h ILE 984 N 0.32 0.59 -0.14 2.32 2.10 -0.94 0.92 117.51 122.69 1qvx h ILE 984 Ca -0.14 -0.35 -0.21 0.00 1.08 0.00 0.00 64.86 65.24 1qvx h ILE 984 Cb 1.75 1.22 0.01 0.00 -1.09 0.00 0.00 36.82 38.72 1qvx h ILE 984 CO 0.21 0.08 -0.72 -0.33 -1.08 0.00 0.00 178.15 176.31 1qvx h GLU 985 N 0.00 0.74 0.06 2.19 5.08 -1.53 -2.90 114.58 118.21 1qvx h GLU 985 Ca -0.00 -0.60 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1qvx h GLU 985 Cb 0.22 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1qvx h GLU 985 CO 0.01 1.21 -0.03 0.00 -1.00 0.00 0.00 179.01 179.21 1qvx h MET 986 N 0.44 -0.07 0.18 2.33 -0.00 -0.75 -3.05 114.93 114.01 1qvx h MET 986 Ca -0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.34 1qvx h MET 986 Cb 1.36 0.02 0.03 0.00 -0.00 0.00 0.00 31.60 33.01 1qvx h MET 986 CO 0.15 0.43 -1.34 0.00 -0.00 0.00 0.00 176.91 176.15 1qvx h ALA 987 N 0.26 -0.08 -0.48 -3.00 0.00 -1.39 -2.65 119.26 111.92 1qvx h ALA 987 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1qvx h ALA 987 Cb 0.54 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1qvx h ALA 987 CO 0.01 0.68 0.26 0.37 0.00 0.00 0.00 179.25 180.58 1qvx h GLN 988 N 0.21 0.67 0.00 0.00 4.15 -1.64 0.57 115.11 119.07 1qvx h GLN 988 Ca -0.22 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.06 1qvx h GLN 988 Cb 2.02 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 1qvx h GLN 988 CO 0.25 0.52 -0.29 0.87 -1.93 0.00 0.00 178.83 178.26 1qvx h LYS 989 N 0.63 0.00 -0.17 1.69 1.57 -1.63 -2.34 116.57 116.31 1qvx h LYS 989 Ca 0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 1qvx h LYS 989 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1qvx h LYS 989 CO -0.03 0.29 -0.64 1.25 -0.57 0.00 0.00 179.45 179.75 1qvx h LEU 990 N 0.00 0.72 0.32 2.94 5.85 -0.81 -2.93 115.31 121.40 1qvx h LEU 990 Ca -0.00 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1qvx h LEU 990 Cb 0.70 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1qvx h LEU 990 CO 0.04 1.18 -0.15 -0.07 -0.34 0.00 0.00 178.44 179.09 1qvx h LEU 991 N 0.46 -0.37 -1.26 2.25 3.38 0.59 -2.76 115.31 117.60 1qvx h LEU 991 Ca -0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1qvx h LEU 991 Cb 1.22 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1qvx h LEU 991 CO 0.12 -0.20 0.54 -1.13 0.09 0.00 0.00 178.44 177.87 1qvx h ASN 992 N -0.51 0.78 -0.10 -0.43 -1.24 -1.46 0.33 115.58 112.94 1qvx h ASN 992 Ca -0.04 0.01 -0.18 0.00 0.71 0.00 0.00 56.30 56.80 1qvx h ASN 992 Cb 0.38 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 1qvx h ASN 992 CO 0.07 0.49 -0.59 0.77 -1.29 0.00 0.00 177.43 176.88 1qvx h SER 993 N 0.87 0.79 0.00 1.15 4.64 -1.42 -2.98 113.55 116.60 1qvx h SER 993 Ca 0.37 -0.44 -0.25 0.00 -0.47 0.00 0.00 61.79 61.00 1qvx h SER 993 Cb 0.29 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1qvx h SER 993 CO -0.14 1.20 -1.93 0.47 -0.87 0.00 0.00 176.83 175.57 1qvx n ASP 994 N -3.97 1.80 -0.15 4.97 8.00 -0.88 -2.46 116.55 123.87 1qvx n ASP 994 Ca -0.04 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.38 1qvx n ASP 994 Cb 0.64 0.71 0.02 0.00 -0.02 0.00 0.00 41.12 42.46 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N 0.00 0.52 -0.50 0.64 6.46 -0.54 0.14 115.31 122.03 1qvx h LEU 995 Ca -0.37 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 1qvx h LEU 995 Cb 1.80 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 1qvx h LEU 995 CO 0.01 0.37 0.04 0.00 -0.62 0.00 0.00 178.44 178.24 1qvx h ALA 996 N 1.18 0.67 -0.94 1.25 0.00 -1.64 -1.71 119.26 118.07 1qvx h ALA 996 Ca 0.17 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.96 1qvx h ALA 996 Cb -0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.45 1qvx h ALA 996 CO -0.05 0.44 0.55 1.49 0.00 0.00 0.00 179.25 181.69 1qvx h GLU 997 N 0.73 0.77 -0.43 0.00 4.57 -1.14 -0.23 114.58 118.86 1qvx h GLU 997 Ca 0.15 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 1qvx h GLU 997 Cb 0.46 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1qvx h GLU 997 CO 0.02 0.51 -0.25 1.25 -1.18 0.00 0.00 179.01 179.36 1qvx h LEU 998 N 0.80 0.93 -0.01 1.64 5.85 -0.33 0.14 115.31 124.33 1qvx h LEU 998 Ca 0.50 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1qvx h LEU 998 Cb 0.63 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1qvx h LEU 998 CO -0.32 1.13 -0.09 0.40 -0.34 0.00 0.00 178.44 179.21 1qvx h ILE 999 N 0.78 0.77 0.00 4.05 2.04 -0.27 0.20 117.51 125.08 1qvx h ILE 999 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1qvx h ILE 999 Cb 0.80 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1qvx h ILE 999 CO 0.07 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 177.76 1qvx n ASN 1000N -5.21 0.29 0.04 1.72 0.23 -0.23 -0.87 115.26 111.23 1qvx n ASN 1000Ca -0.05 0.53 -0.12 0.00 -0.53 0.00 0.00 54.58 54.40 1qvx n ASN 1000Cb 0.14 -0.61 -0.14 0.00 -2.08 0.00 0.00 39.78 37.09 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1qvx h LYS 1001N 0.00 0.13 0.17 -3.83 1.63 0.39 0.55 116.57 115.61 1qvx h LYS 1001Ca 0.00 -0.22 -0.31 0.00 -0.85 0.00 0.00 60.65 59.27 1qvx h LYS 1001Cb 0.54 0.08 0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1qvx h LYS 1001CO 0.00 0.95 -1.33 0.52 -3.45 0.00 0.00 179.45 176.14 1qvx h MET 1002N 0.03 0.57 -0.13 1.90 2.86 -0.47 0.51 114.93 120.20 1qvx h MET 1002Ca -0.19 -0.84 0.04 0.00 -2.06 0.00 0.00 59.70 56.65 1qvx h MET 1002Cb 1.95 0.29 -0.04 0.00 0.06 0.00 0.00 31.60 33.86 1qvx h MET 1002CO 0.13 1.39 -0.10 -0.22 1.06 0.00 0.00 176.91 179.17 1qvx h LYS 1003N 0.22 -0.11 -0.47 1.72 3.64 -1.07 0.14 116.57 120.64 1qvx h LYS 1003Ca -0.21 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1qvx h LYS 1003Cb 2.01 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.81 1qvx h LYS 1003CO 0.25 -0.07 0.23 1.25 -2.27 0.00 0.00 179.45 178.84 1qvx h LEU 1004N -0.11 0.32 -0.54 5.20 5.85 0.20 0.70 115.31 126.93 1qvx h LEU 1004Ca 0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 1004Cb 0.23 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1qvx h LEU 1004CO -0.20 0.23 0.34 0.00 -0.34 0.00 0.00 178.44 178.46 1qvx h ALA 1005N 1.26 0.68 0.00 1.25 0.00 0.33 0.12 119.26 122.89 1qvx h ALA 1005Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qvx h ALA 1005Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qvx h ALA 1005CO -0.15 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1qvx n GLN 1006N -4.68 0.03 0.09 0.00 -0.00 0.45 -1.06 117.38 112.20 1qvx n GLN 1006Ca 0.03 0.11 0.12 0.00 -0.00 0.00 0.00 57.00 57.26 1qvx n GLN 1006Cb 0.04 -1.55 0.13 0.00 -0.00 0.00 0.00 30.24 28.87 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1qvx h GLN 1007N 0.00 0.00 0.00 2.61 5.75 0.28 -3.33 115.11 120.42 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 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1qvx h GLN 1007CO 0.00 0.00 -0.02 0.98 -2.65 0.00 0.00 178.83 177.14 1qvx n TYR 1008N -2.35 0.00 -1.45 3.99 9.36 0.07 -5.01 117.16 121.76 1qvx n TYR 1008Ca 0.02 -0.32 -0.50 0.00 3.32 0.00 0.00 57.90 60.43 1qvx n TYR 1008Cb 0.48 -0.04 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.35 0.20 -4.03 2.97 3.14 -0.23 -4.54 118.33 115.49 1qvx n VAL 1009Ca 0.01 -0.27 -0.10 0.00 -2.96 0.00 0.00 64.34 61.02 1qvx n VAL 1009Cb 0.39 -1.70 -0.06 0.00 -1.06 0.00 0.00 33.84 31.41 1qvx n VAL 1009CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qvx s MET 1010N 6.22 1.47 -0.12 1.45 0.23 -1.26 -4.98 119.30 122.30 1qvx s MET 1010Ca 1.09 -1.32 -0.30 0.00 -1.03 0.00 0.00 55.69 54.14 1qvx s MET 1010Cb -0.83 0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 32.83 1qvx s MET 1010CO 0.48 -0.59 2.11 2.41 -2.03 0.00 0.00 175.02 177.40 1qvx n THR 1011N -0.35 0.51 0.00 3.16 -1.04 -1.26 -2.27 114.28 113.03 1qvx n THR 1011Ca -0.01 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1qvx n THR 1011Cb 0.63 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qvx n SER 1012N 9.73 0.00 -0.02 8.00 7.64 -1.26 -4.56 113.62 133.15 1qvx n SER 1012Ca 0.26 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.28 1qvx n SER 1012Cb 0.41 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.22 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qvx n LEU 1013N 0.00 0.15 -0.10 -3.43 7.99 -1.21 -3.50 117.00 116.90 1qvx n LEU 1013Ca 0.00 0.29 -0.04 0.00 -0.01 0.00 0.00 56.01 56.25 1qvx n LEU 1013Cb 0.00 -0.35 0.18 0.00 -0.11 0.00 0.00 43.42 43.13 1qvx n LEU 1013CO 0.00 0.03 0.90 -0.61 -1.51 0.00 0.00 177.39 176.20 1qvx h GLN 1014N 0.10 0.78 -0.21 3.23 -0.00 -1.69 -2.75 115.11 114.58 1qvx h GLN 1014Ca 0.00 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.43 1qvx h GLN 1014Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1qvx h GLN 1014CO 0.00 0.77 0.05 -0.56 0.00 0.00 0.00 178.83 179.09 1qvx h GLN 1015N 0.73 0.29 -0.85 1.69 3.07 -1.86 0.25 115.11 118.43 1qvx h GLN 1015Ca 0.15 -0.03 0.17 0.00 0.09 0.00 0.00 58.65 59.03 1qvx h GLN 1015Cb 0.42 -0.06 -0.11 0.00 0.08 0.00 0.00 27.48 27.81 1qvx h GLN 1015CO 0.02 0.28 0.40 1.49 0.09 0.00 0.00 178.83 181.10 1qvx h GLU 1016N 0.29 0.49 0.00 0.06 4.81 -1.70 0.60 114.58 119.13 1qvx h GLU 1016Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qvx h GLU 1016Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1qvx h GLU 1016CO -0.00 0.33 -0.45 1.88 -0.73 0.00 0.00 179.01 180.03 1qvx h TYR 1017N 0.51 0.00 -0.01 0.92 -1.99 -1.15 -2.98 116.97 112.27 1qvx h TYR 1017Ca 0.49 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 61.04 1qvx h TYR 1017Cb 0.81 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.52 1qvx h TYR 1017CO -0.12 0.00 -0.82 -0.22 -0.00 0.00 0.00 178.16 177.00 1qvx h LYS 1018N 0.00 0.15 0.03 4.88 3.64 0.83 -1.21 116.57 124.89 1qvx h LYS 1018Ca 0.00 -0.16 -0.24 0.00 -1.27 0.00 0.00 60.65 58.98 1qvx h LYS 1018Cb 0.98 0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1qvx h LYS 1018CO 0.00 0.88 -0.97 1.57 -2.27 0.00 0.00 179.45 178.66 1qvx h LYS 1019N 0.09 0.61 -1.00 1.90 2.10 0.06 -2.22 116.57 118.11 1qvx h LYS 1019Ca -0.03 -0.69 0.24 0.00 -2.00 0.00 0.00 60.65 58.17 1qvx h LYS 1019Cb 1.42 0.21 -0.12 0.00 -0.90 0.00 0.00 32.23 32.83 1qvx h LYS 1019CO 0.12 1.29 0.58 1.96 -2.00 0.00 0.00 179.45 181.40 1qvx h GLN 1020N 0.22 0.55 -0.42 0.07 4.20 -1.54 0.76 115.11 118.96 1qvx h GLN 1020Ca -0.13 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.59 1qvx h GLN 1020Cb 1.65 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.27 1qvx h GLN 1020CO 0.19 0.37 0.19 1.98 -0.67 0.00 0.00 178.83 180.89 1qvx h MET 1021N 0.57 0.38 -0.71 1.46 4.05 -0.88 0.05 114.93 119.85 1qvx h MET 1021Ca 0.64 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 60.01 1qvx h MET 1021Cb 1.22 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 1qvx h MET 1021CO -0.48 0.25 0.31 1.25 0.23 0.00 0.00 176.91 178.47 1qvx h LEU 1022N 0.39 0.94 -0.67 3.39 5.85 -0.33 0.50 115.31 125.39 1qvx h LEU 1022Ca 0.19 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1qvx h LEU 1022Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1qvx h LEU 1022CO -0.15 0.82 -0.30 0.74 -0.34 0.00 0.00 178.44 179.21 1qvx h THR 1023N 1.02 1.28 0.11 1.05 2.02 -0.72 -1.99 112.91 115.68 1qvx h THR 1023Ca 0.24 -1.43 -0.26 0.00 0.77 0.00 0.00 66.41 65.74 1qvx h THR 1023Cb 0.15 1.35 0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1qvx h THR 1023CO -0.03 0.47 -1.07 0.00 0.37 0.00 0.00 175.52 175.27 1qvx h ALA 1024N 1.06 -0.02 -0.15 6.16 0.00 -0.29 -2.25 119.26 123.78 1qvx h ALA 1024Ca 0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1qvx h ALA 1024Cb 0.81 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1qvx h ALA 1024CO 0.07 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 1qvx h ALA 1025N 0.25 1.62 -0.16 0.00 0.00 -0.03 0.23 119.26 121.18 1qvx h ALA 1025Ca -0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1qvx h ALA 1025Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1qvx h ALA 1025CO 0.20 0.28 -0.34 1.25 0.00 0.00 0.00 179.25 180.64 1qvx h HIS 1026N 0.21 0.65 -0.51 0.00 2.76 -1.33 -0.74 115.15 116.19 1qvx h HIS 1026Ca 0.05 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1qvx h HIS 1026Cb 0.26 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1qvx h HIS 1026CO 0.00 0.97 0.34 0.00 -1.30 0.00 0.00 177.93 177.94 1qvx h ALA 1027N 0.56 0.65 0.06 5.26 0.00 -0.84 -2.22 119.26 122.74 1qvx h ALA 1027Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qvx h ALA 1027Cb 0.95 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1qvx h ALA 1027CO 0.08 0.10 -0.22 1.25 0.00 0.00 0.00 179.25 180.46 1qvx h LEU 1028N 0.69 -0.62 -1.89 0.00 6.46 -0.49 -1.41 115.31 118.05 1qvx h LEU 1028Ca 0.19 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.12 1qvx h LEU 1028Cb -0.07 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1qvx h LEU 1028CO -0.04 -0.29 0.28 0.00 -0.62 0.00 0.00 178.44 177.77 1qvx h ALA 1029N 0.45 2.21 -0.41 1.25 0.00 -0.94 0.51 119.26 122.34 1qvx h ALA 1029Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 1029Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qvx h ALA 1029CO -0.15 -0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.07 1qvx h VAL 1030N 0.13 1.26 -0.64 0.00 2.07 -0.66 -1.06 116.25 117.34 1qvx h VAL 1030Ca 0.19 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 66.83 1qvx h VAL 1030Cb 0.57 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1qvx h VAL 1030CO -0.02 0.34 0.15 0.44 0.02 0.00 0.00 177.57 178.50 1qvx h ASP 1031N 0.54 0.03 0.32 0.57 3.32 -0.04 0.39 116.42 121.55 1qvx h ASP 1031Ca 0.12 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1qvx h ASP 1031Cb 0.46 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1qvx h ASP 1031CO 0.02 0.01 -0.15 0.00 -1.72 0.00 0.00 179.24 177.40 1qvx h ALA 1032N 1.51 -0.43 -0.14 3.45 0.00 -1.26 -2.16 119.26 120.24 1qvx h ALA 1032Ca 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1qvx h ALA 1032Cb 0.52 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qvx h ALA 1032CO -0.42 -0.72 -0.22 1.57 0.00 0.00 0.00 179.25 179.47 1qvx h LYS 1033N -0.47 0.24 -0.11 0.00 2.10 -0.27 0.21 116.57 118.27 1qvx h LYS 1033Ca -0.04 -0.07 -0.20 0.00 -2.00 0.00 0.00 60.65 58.34 1qvx h LYS 1033Cb 0.36 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1qvx h LYS 1033CO 0.07 0.45 -0.75 -0.97 -2.00 0.00 0.00 179.45 176.25 1qvx h ASN 1034N 0.22 0.66 1.29 7.07 -1.24 -0.23 -3.04 115.58 120.31 1qvx h ASN 1034Ca 0.04 -0.43 -0.14 0.00 0.71 0.00 0.00 56.30 56.47 1qvx h ASN 1034Cb 0.51 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1qvx h ASN 1034CO 0.03 1.19 -0.69 0.25 -1.29 0.00 0.00 177.43 176.93 1qvx h LEU 1035N 0.38 0.00 -1.74 0.34 5.85 -0.85 -1.30 115.31 117.99 1qvx h LEU 1035Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 1035Cb 1.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1qvx h LEU 1035CO 0.14 0.69 -0.17 0.17 -0.34 0.00 0.00 178.44 178.93 1qvx h LEU 1036N 0.00 0.00 -0.02 2.25 8.10 -0.58 0.59 115.31 125.66 1qvx h LEU 1036Ca -0.01 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 1qvx h LEU 1036Cb 1.52 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.75 1qvx h LEU 1036CO 0.09 0.17 -0.40 -0.78 -4.11 0.00 0.00 178.44 173.41 1qvx h ASP 1037N 0.00 0.38 0.30 0.17 3.58 -1.40 -2.83 116.42 116.62 1qvx h ASP 1037Ca -0.00 -0.74 -0.00 0.00 0.42 0.00 0.00 57.03 56.70 1qvx h ASP 1037Cb 0.37 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 1qvx h ASP 1037CO 0.02 1.07 -0.46 0.58 -2.88 0.00 0.00 179.24 177.58 1qvx h VAL 1038N -0.27 0.00 0.07 2.25 2.07 0.25 -0.01 116.25 120.60 1qvx h VAL 1038Ca -0.05 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 1qvx h VAL 1038Cb 1.12 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1qvx h VAL 1038CO 0.08 0.00 -1.22 0.16 0.02 0.00 0.00 177.57 176.61 1qvx h ILE 1039N -0.80 1.49 -0.67 4.57 3.07 -0.10 1.18 117.51 126.25 1qvx h ILE 1039Ca -0.03 -3.15 0.09 0.00 1.55 0.00 0.00 64.86 63.32 1qvx h ILE 1039Cb 0.73 2.84 -0.07 0.00 -0.27 0.00 0.00 36.82 40.05 1qvx h ILE 1039CO -0.14 0.89 0.32 -0.78 -1.05 0.00 0.00 178.15 177.39 1qvx h ASP 1040N 0.04 0.40 1.61 2.16 3.58 -1.55 0.58 116.42 123.23 1qvx h ASP 1040Ca -0.11 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 1qvx h ASP 1040Cb 1.90 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 1qvx h ASP 1040CO 0.16 0.23 -0.24 0.06 -2.88 0.00 0.00 179.24 176.57 1qvx h GLN 1041N 0.55 0.00 0.13 0.28 3.07 -0.77 -2.44 115.11 115.93 1qvx h GLN 1041Ca 0.33 0.00 0.02 0.00 0.09 0.00 0.00 58.65 59.09 1qvx h GLN 1041Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.88 1qvx h GLN 1041CO -0.27 0.24 -0.31 0.00 0.09 0.00 0.00 178.83 178.58 1qvx h ALA 1042N 1.76 -0.53 -0.66 0.06 0.00 0.26 1.99 119.26 122.14 1qvx h ALA 1042Ca -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1042Cb 1.11 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1qvx h ALA 1042CO 0.03 -0.85 0.44 -0.09 0.00 0.00 0.00 179.25 178.78 1qvx h ARG 1043N -0.53 0.40 0.00 0.00 9.65 -0.82 0.29 114.38 123.37 1qvx h ARG 1043Ca 0.03 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1qvx h ARG 1043Cb 0.56 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1qvx h ARG 1043CO -0.18 0.26 -0.52 1.25 2.80 0.00 0.00 179.97 183.59 1qvx h LEU 1044N 0.41 0.00 -1.19 3.80 5.85 -0.79 -2.29 115.31 121.11 1qvx h LEU 1044Ca 0.31 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1qvx h LEU 1044Cb 0.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1qvx h LEU 1044CO -0.09 0.52 -0.02 0.11 -0.34 0.00 0.00 178.44 178.62 1qvx h LYS 1045N 0.00 0.54 -0.26 1.25 1.79 0.67 0.72 116.57 121.28 1qvx h LYS 1045Ca -0.01 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.17 1qvx h LYS 1045Cb 1.23 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1qvx h LYS 1045CO 0.07 0.58 -0.51 1.98 -1.08 0.00 0.00 179.45 180.48 1qvx h MET 1046N 0.51 0.81 -0.43 3.15 4.05 -0.95 -2.49 114.93 119.58 1qvx h MET 1046Ca 0.11 -0.52 -0.03 0.00 -0.28 0.00 0.00 59.70 58.98 1qvx h MET 1046Cb 0.36 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1qvx h MET 1046CO 0.01 1.15 0.15 0.82 0.23 0.00 0.00 176.91 179.28 1qvx h ILE 1047N 0.57 1.17 -0.95 1.77 1.08 -0.81 -2.95 117.51 117.39 1qvx h ILE 1047Ca 0.01 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1qvx h ILE 1047Cb 1.12 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 1qvx h ILE 1047CO 0.11 0.21 0.58 -1.28 -0.69 0.00 0.00 178.15 177.09 1qvx h SER 1048N 0.62 1.13 1.01 1.72 0.87 0.88 -1.18 113.55 118.60 1qvx h SER 1048Ca 0.15 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1qvx h SER 1048Cb 0.16 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1qvx h SER 1048CO -0.01 0.85 -0.70 1.56 -0.53 0.00 0.00 176.83 178.00 1qvx h GLN 1049N 1.30 0.00 -0.08 2.24 1.08 -1.43 -3.11 115.11 115.10 1qvx h GLN 1049Ca 0.34 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.38 1qvx h GLN 1049Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1qvx h GLN 1049CO -0.07 0.00 -0.63 0.77 -0.95 0.00 0.00 178.83 177.95 1qvx h SER 1050N 0.00 0.35 -5.61 1.46 0.02 -1.28 -3.49 113.55 105.00 1qvx h SER 1050Ca 0.00 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1qvx h SER 1050Cb 0.86 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1qvx h SER 1050CO 0.00 0.89 -0.77 0.54 -1.14 0.00 0.00 176.83 176.35 1qvx n ARG 1051N -3.87 -2.34 -0.27 3.45 1.74 -0.48 -4.91 116.66 109.99 1qvx n ARG 1051Ca -0.03 2.00 0.06 0.00 -0.77 0.00 0.00 57.85 59.11 1qvx n ARG 1051Cb 0.64 -4.53 0.19 0.00 -1.02 0.00 0.00 32.46 27.74 1qvx n ARG 1051CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qvx n PRO 1052N -0.00 2.19 0.00 5.56 -0.04 -1.26 -5.12 135.00 136.33 1qvx n PRO 1052Ca 0.05 -1.51 0.10 0.00 -0.04 0.00 0.00 63.50 62.10 1qvx n PRO 1052Cb 0.44 -1.44 0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04