#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg n ILE 2 N 0.00 0.00 -3.83 -0.61 -5.35 -1.26 -5.11 119.36 103.20 1qvg n ILE 2 Ca 0.00 -0.73 -0.12 0.00 -0.27 0.00 0.00 62.75 61.63 1qvg n ILE 2 Cb 0.00 -1.44 -0.09 0.00 -1.74 0.00 0.00 39.64 36.37 1qvg n ILE 2 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1qvg s SER 3 N -4.98 -0.06 -0.06 7.28 0.01 -1.26 -5.10 113.70 109.54 1qvg s SER 3 Ca 0.67 -0.08 -0.36 0.00 1.31 0.00 0.00 55.95 57.49 1qvg s SER 3 Cb -0.03 0.25 -0.14 0.00 0.21 0.00 0.00 66.02 66.31 1qvg s SER 3 CO 0.48 -0.39 1.72 -1.22 0.41 0.00 0.00 173.24 174.24 1qvg n TYR 4 N 1.44 2.16 1.67 2.43 4.02 -1.26 -4.79 117.16 122.82 1qvg n TYR 4 Ca -0.22 0.25 0.14 0.00 -0.01 0.00 0.00 57.90 58.06 1qvg n TYR 4 Cb 0.56 -2.55 0.65 0.00 -0.02 0.00 0.00 39.34 37.97 1qvg n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1qvg n SER 5 N 5.16 0.92 -4.17 7.72 3.41 -1.26 -4.85 113.62 120.55 1qvg n SER 5 Ca 0.22 -1.36 -0.17 0.00 -0.26 0.00 0.00 58.87 57.30 1qvg n SER 5 Cb 0.24 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 1qvg n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qvg s VAL 6 N -1.97 1.06 0.03 -3.33 1.01 -1.26 -5.13 120.40 110.80 1qvg s VAL 6 Ca 0.40 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 1qvg s VAL 6 Cb 0.20 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1qvg s VAL 6 CO 0.33 -0.30 0.82 -1.61 0.00 0.00 0.00 175.10 174.33 1qvg s GLU 7 N -1.97 4.53 -0.08 2.72 2.02 -1.26 -5.06 118.70 119.60 1qvg s GLU 7 Ca -0.01 1.15 0.03 0.00 0.02 0.00 0.00 54.97 56.16 1qvg s GLU 7 Cb -0.08 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1qvg s GLU 7 CO 0.02 0.17 -0.16 0.00 0.02 0.00 0.00 175.26 175.31 1qvg s ALA 8 N 0.30 1.58 -0.34 5.21 0.00 -1.26 -5.09 121.76 122.15 1qvg s ALA 8 Ca 0.42 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1qvg s ALA 8 Cb -0.20 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1qvg s ALA 8 CO 0.24 0.18 1.20 0.34 0.00 0.00 0.00 175.76 177.72 1qvg s ASP 9 N 0.52 6.75 0.51 0.00 -1.08 -1.26 -4.91 116.67 117.21 1qvg s ASP 9 Ca -0.16 1.02 0.23 0.00 -0.52 0.00 0.00 52.55 53.13 1qvg s ASP 9 Cb -0.16 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.08 1qvg s ASP 9 CO 0.05 -1.04 1.98 1.55 0.52 0.00 0.00 175.17 178.23 1qvg h PRO 10 N 8.87 0.09 -0.02 4.34 0.13 -1.99 -1.57 132.00 141.84 1qvg h PRO 10 Ca -0.24 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1qvg h PRO 10 Cb 1.08 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1qvg h PRO 10 CO 1.05 0.06 -0.34 -0.44 -0.23 0.00 0.00 178.00 178.09 1qvg h ASP 11 N 0.09 0.04 -0.01 1.44 3.32 -2.03 -3.18 116.42 116.10 1qvg h ASP 11 Ca 0.28 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1qvg h ASP 11 Cb 0.98 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 1qvg h ASP 11 CO -0.03 0.39 -0.70 0.35 -1.72 0.00 0.00 179.24 177.53 1qvg n THR 12 N -4.12 1.42 -3.79 0.35 -2.24 -0.89 -5.06 114.28 99.95 1qvg n THR 12 Ca -0.02 -2.46 -0.13 0.00 -2.27 0.00 0.00 64.05 59.18 1qvg n THR 12 Cb 0.39 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 1qvg n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qvg s THR 13 N -2.10 -0.01 0.06 4.28 2.01 -0.64 -2.87 115.64 116.36 1qvg s THR 13 Ca 0.37 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.50 1qvg s THR 13 Cb 0.38 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.60 1qvg s THR 13 CO -0.10 0.02 -0.20 0.00 -0.69 0.00 0.00 174.62 173.64 1qvg s ALA 14 N 0.41 2.53 0.23 7.40 0.00 -0.11 -4.72 121.76 127.51 1qvg s ALA 14 Ca -0.03 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1qvg s ALA 14 Cb -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1qvg s ALA 14 CO -0.02 0.57 -0.05 0.15 0.00 0.00 0.00 175.76 176.41 1qvg s LYS 15 N -1.60 1.36 -0.22 0.00 1.02 -1.26 0.95 119.74 120.00 1qvg s LYS 15 Ca 0.15 -1.67 -0.28 0.00 0.02 0.00 0.00 55.97 54.19 1qvg s LYS 15 Cb -0.10 -0.84 0.13 0.00 -0.52 0.00 0.00 37.83 36.49 1qvg s LYS 15 CO 0.06 0.00 1.05 0.00 -0.92 0.00 0.00 175.35 175.53 1qvg s ALA 16 N -3.23 -1.97 0.04 5.17 0.00 -0.42 -4.65 121.76 116.70 1qvg s ALA 16 Ca 0.26 1.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 1qvg s ALA 16 Cb 0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1qvg s ALA 16 CO 0.08 -0.27 -0.00 -1.64 0.00 0.00 0.00 175.76 173.94 1qvg s MET 17 N -0.53 0.51 -0.07 0.00 -1.94 -1.26 -1.22 119.30 114.80 1qvg s MET 17 Ca 0.01 -0.93 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1qvg s MET 17 Cb -0.02 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 1qvg s MET 17 CO -0.03 -0.10 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.22 1qvg s LEU 18 N -2.29 2.63 -0.13 -0.03 1.43 -0.28 -4.95 118.68 115.05 1qvg s LEU 18 Ca -0.03 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1qvg s LEU 18 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1qvg s LEU 18 CO -0.06 0.30 -0.15 -0.13 0.23 0.00 0.00 176.35 176.54 1qvg s ARG 19 N -0.44 3.29 -1.74 1.70 1.81 -1.26 -1.98 118.95 120.33 1qvg s ARG 19 Ca 0.05 -0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 53.18 1qvg s ARG 19 Cb -0.12 -2.59 0.14 0.00 -0.45 0.00 0.00 34.95 31.94 1qvg s ARG 19 CO 0.02 0.15 0.45 0.39 -0.68 0.00 0.00 175.30 175.62 1qvg n GLU 20 N 3.70 -1.31 -2.25 3.54 1.02 -0.55 -4.90 120.64 119.89 1qvg n GLU 20 Ca -0.18 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 1qvg n GLU 20 Cb 0.52 -4.44 -0.03 0.00 -0.02 0.00 0.00 31.44 27.47 1qvg n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1qvg s ARG 21 N -7.20 4.42 -0.68 3.49 1.81 0.38 -4.47 118.95 116.70 1qvg s ARG 21 Ca 0.53 2.02 -0.21 0.00 -1.72 0.00 0.00 55.73 56.36 1qvg s ARG 21 Cb -0.31 -3.19 0.09 0.00 -0.45 0.00 0.00 34.95 31.09 1qvg s ARG 21 CO 1.00 -0.20 0.91 -0.65 -0.68 0.00 0.00 175.30 175.68 1qvg s GLN 22 N -0.32 3.17 0.14 3.54 -0.21 -1.26 0.87 119.66 125.58 1qvg s GLN 22 Ca 0.55 -1.13 -0.25 0.00 0.02 0.00 0.00 55.36 54.55 1qvg s GLN 22 Cb -0.36 -4.34 0.07 0.00 1.00 0.00 0.00 33.01 29.38 1qvg s GLN 22 CO 0.39 -1.73 0.84 0.00 -2.12 0.00 0.00 175.29 172.67 1qvg s MET 23 N 3.42 1.22 -0.05 2.91 0.23 -1.20 -5.01 119.30 120.81 1qvg s MET 23 Ca 0.20 -0.59 -0.34 0.00 -1.03 0.00 0.00 55.69 53.93 1qvg s MET 23 Cb -0.17 0.47 -0.12 0.00 -1.53 0.00 0.00 34.83 33.47 1qvg s MET 23 CO 0.06 -0.55 1.81 0.45 -2.03 0.00 0.00 175.02 174.76 1qvg n SER 24 N -0.39 3.31 0.23 -1.18 2.88 -1.26 -4.56 113.62 112.65 1qvg n SER 24 Ca -0.08 1.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.59 1qvg n SER 24 Cb 0.61 -1.37 0.32 0.00 -0.75 0.00 0.00 64.21 63.02 1qvg n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1qvg h PHE 25 N 8.46 0.00 0.06 0.66 3.57 -1.96 -2.93 116.94 124.81 1qvg h PHE 25 Ca -0.48 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 60.78 1qvg h PHE 25 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1qvg h PHE 25 CO 0.83 0.03 -1.08 0.87 -2.23 0.00 0.00 178.31 176.72 1qvg h LYS 26 N 0.00 0.32 -0.30 1.11 1.57 -2.01 -2.89 116.57 114.37 1qvg h LYS 26 Ca -0.00 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 1qvg h LYS 26 Cb 0.87 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1qvg h LYS 26 CO 0.00 1.14 -0.24 0.45 -0.57 0.00 0.00 179.45 180.24 1qvg h HIS 27 N 0.14 0.81 -0.01 -1.35 3.86 -1.94 -3.05 115.15 113.60 1qvg h HIS 27 Ca -0.10 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 58.91 1qvg h HIS 27 Cb 1.76 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 30.02 1qvg h HIS 27 CO 0.06 0.96 -0.17 0.77 0.86 0.00 0.00 177.93 180.40 1qvg h SER 28 N 0.43 -0.51 -0.64 2.45 0.02 -1.55 0.16 113.55 113.91 1qvg h SER 28 Ca 0.05 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1qvg h SER 28 Cb 0.79 0.22 -0.12 0.00 0.14 0.00 0.00 62.40 63.43 1qvg h SER 28 CO 0.06 -0.24 -0.25 0.11 -1.14 0.00 0.00 176.83 175.38 1qvg h LYS 29 N -0.28 -0.08 -0.25 3.45 1.57 -1.46 0.38 116.57 119.90 1qvg h LYS 29 Ca 0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1qvg h LYS 29 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1qvg h LYS 29 CO -0.18 -0.05 0.16 0.00 -0.57 0.00 0.00 179.45 178.82 1qvg h ALA 30 N 1.36 0.32 0.37 3.86 0.00 -1.24 0.61 119.26 124.54 1qvg h ALA 30 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1qvg h ALA 30 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qvg h ALA 30 CO -0.70 -0.22 -0.18 0.82 0.00 0.00 0.00 179.25 178.98 1qvg h ILE 31 N 0.33 0.64 0.03 0.00 2.04 0.96 0.14 117.51 121.65 1qvg h ILE 31 Ca 0.09 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1qvg h ILE 31 Cb -0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1qvg h ILE 31 CO -0.02 0.01 -0.23 0.00 0.00 0.00 0.00 178.15 177.91 1qvg h ALA 32 N 0.09 -0.73 -0.79 1.87 0.00 -0.24 -1.17 119.26 118.30 1qvg h ALA 32 Ca -0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1qvg h ALA 32 Cb 0.40 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1qvg h ALA 32 CO 0.08 -0.79 -0.36 -2.13 0.00 0.00 0.00 179.25 176.05 1qvg n ARG 33 N -3.77 -0.24 -0.22 0.00 0.63 0.20 -1.27 116.66 111.98 1qvg n ARG 33 Ca -0.04 1.20 -0.06 0.00 -0.92 0.00 0.00 57.85 58.04 1qvg n ARG 33 Cb 0.18 -1.78 0.04 0.00 0.45 0.00 0.00 32.46 31.35 1qvg n ARG 33 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1qvg h GLU 34 N 0.00 0.85 0.00 -0.14 4.57 0.14 -3.24 114.58 116.76 1qvg h GLU 34 Ca 0.22 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1qvg h GLU 34 Cb 0.42 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1qvg h GLU 34 CO -0.77 0.59 -0.25 0.44 -1.18 0.00 0.00 179.01 177.83 1qvg n ILE 35 N -4.62 0.09 -1.77 2.32 -5.35 -0.39 -4.88 119.36 104.76 1qvg n ILE 35 Ca 0.05 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 62.06 1qvg n ILE 35 Cb 0.04 -0.19 -0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1qvg n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1qvg s LYS 36 N -3.03 4.10 0.00 6.28 2.20 -1.01 -1.84 119.74 126.44 1qvg s LYS 36 Ca 0.12 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1qvg s LYS 36 Cb 0.17 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1qvg s LYS 36 CO 0.62 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1qvg n GLY 37 N 1.01 2.76 3.90 5.54 0.00 -0.36 -5.01 105.19 113.04 1qvg n GLY 37 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1qvg n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvg s LYS 38 N -0.56 1.77 -0.03 1.61 1.02 -0.77 -4.61 119.74 118.17 1qvg s LYS 38 Ca 0.00 0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.86 1qvg s LYS 38 Cb 0.00 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1qvg s LYS 38 CO 0.00 -1.72 0.50 0.99 -0.92 0.00 0.00 175.35 174.20 1qvg s THR 39 N -3.61 5.01 0.37 2.17 2.01 -1.26 -0.37 115.64 119.97 1qvg s THR 39 Ca 0.64 1.03 0.20 0.00 0.31 0.00 0.00 61.69 63.87 1qvg s THR 39 Cb -0.10 -3.83 0.37 0.00 0.01 0.00 0.00 72.50 68.95 1qvg s THR 39 CO 0.50 0.45 1.63 0.00 -0.69 0.00 0.00 174.62 176.50 1qvg h ALA 40 N 5.62 2.18 0.09 7.40 0.00 -0.77 0.53 119.26 134.31 1qvg h ALA 40 Ca -0.46 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qvg h ALA 40 Cb 1.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qvg h ALA 40 CO 0.69 -0.86 -0.04 0.78 0.00 0.00 0.00 179.25 179.81 1qvg h GLY 41 N 0.17 -0.13 0.43 0.00 0.00 -1.63 -1.79 103.07 100.12 1qvg h GLY 41 Ca 0.79 0.05 0.07 0.00 0.00 0.00 0.00 47.33 48.24 1qvg h GLY 41 CO -0.62 -0.05 0.05 0.83 0.00 0.00 0.00 176.54 176.75 1qvg h GLU 42 N -0.40 0.17 -0.18 4.80 5.08 -0.44 -2.10 114.58 121.51 1qvg h GLU 42 Ca -0.01 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1qvg h GLU 42 Cb 0.33 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1qvg h GLU 42 CO 0.02 0.11 -0.33 0.00 -1.00 0.00 0.00 179.01 177.82 1qvg h ALA 43 N 1.33 -0.35 -0.04 3.43 0.00 -0.24 0.34 119.26 123.73 1qvg h ALA 43 Ca 0.20 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1qvg h ALA 43 Cb 0.26 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1qvg h ALA 43 CO -0.29 -0.79 -0.30 0.28 0.00 0.00 0.00 179.25 178.15 1qvg h VAL 44 N -0.37 0.33 -0.47 0.00 2.07 -0.84 0.61 116.25 117.58 1qvg h VAL 44 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1qvg h VAL 44 Cb 0.55 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1qvg h VAL 44 CO -0.39 0.00 -0.15 0.44 0.02 0.00 0.00 177.57 177.49 1qvg h ASP 45 N -0.42 -0.53 0.33 0.57 3.32 -0.83 -1.15 116.42 117.70 1qvg h ASP 45 Ca 0.07 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1qvg h ASP 45 Cb 0.53 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1qvg h ASP 45 CO -0.28 -0.18 -0.36 0.22 -1.72 0.00 0.00 179.24 176.91 1qvg h TYR 46 N -0.04 -1.02 -0.43 4.55 3.20 -0.24 -1.77 116.97 121.23 1qvg h TYR 46 Ca 0.23 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.23 1qvg h TYR 46 Cb 0.38 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1qvg h TYR 46 CO -0.43 -0.48 0.43 -0.07 -1.64 0.00 0.00 178.16 175.98 1qvg h LEU 47 N -0.70 0.00 -0.19 2.82 3.38 -0.60 0.41 115.31 120.43 1qvg h LEU 47 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1qvg h LEU 47 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1qvg h LEU 47 CO -0.06 0.00 -0.91 -0.33 0.09 0.00 0.00 178.44 177.23 1qvg h GLU 48 N 0.00 0.01 -0.30 1.13 5.08 -0.66 -1.62 114.58 118.22 1qvg h GLU 48 Ca 0.20 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 1qvg h GLU 48 Cb 1.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1qvg h GLU 48 CO -0.00 0.91 -0.54 0.00 -1.00 0.00 0.00 179.01 178.38 1qvg h ALA 49 N 1.08 0.47 0.69 3.43 0.00 0.56 -0.90 119.26 124.59 1qvg h ALA 49 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1qvg h ALA 49 Cb 1.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1qvg h ALA 49 CO 0.12 0.68 -0.35 0.28 0.00 0.00 0.00 179.25 179.98 1qvg h VAL 50 N 0.68 0.29 -0.86 0.00 2.07 -0.86 0.15 116.25 117.73 1qvg h VAL 50 Ca 0.02 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.77 1qvg h VAL 50 Cb 1.15 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1qvg h VAL 50 CO 0.12 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.72 1qvg h ILE 51 N -0.94 0.60 0.01 4.57 2.04 -1.16 0.39 117.51 123.02 1qvg h ILE 51 Ca -0.09 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 65.54 1qvg h ILE 51 Cb 0.73 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1qvg h ILE 51 CO 0.14 0.02 -0.91 -0.08 0.00 0.00 0.00 178.15 177.32 1qvg h GLU 52 N 0.09 0.12 0.00 2.37 4.57 -0.42 -3.48 114.58 117.82 1qvg h GLU 52 Ca 0.42 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1qvg h GLU 52 Cb 1.52 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1qvg h GLU 52 CO -0.05 0.95 0.00 0.41 -1.18 0.00 0.00 179.01 179.14 1qvg n GLY 53 N 0.99 1.02 0.01 1.92 0.00 0.14 -4.97 105.19 104.30 1qvg n GLY 53 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1qvg n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 54 N 0.00 0.48 -4.02 1.61 8.00 -0.41 -4.88 116.55 117.33 1qvg n ASP 54 Ca 0.00 -0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.15 1qvg n ASP 54 Cb 0.00 1.83 -0.17 0.00 -0.02 0.00 0.00 41.12 42.77 1qvg n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1qvg s GLN 55 N -3.34 1.92 0.06 -1.24 2.00 -1.13 -4.97 119.66 112.97 1qvg s GLN 55 Ca -0.06 -0.46 -0.07 0.00 -2.00 0.00 0.00 55.36 52.77 1qvg s GLN 55 Cb 0.13 -1.68 -0.05 0.00 0.80 0.00 0.00 33.01 32.20 1qvg s GLN 55 CO 0.83 -0.08 0.34 -1.25 -0.50 0.00 0.00 175.29 174.63 1qvg s PRO 56 N 1.03 3.65 -0.35 1.67 0.04 -1.26 -3.75 135.00 136.03 1qvg s PRO 56 Ca -0.07 0.01 -0.22 0.00 0.04 0.00 0.00 61.00 60.76 1qvg s PRO 56 Cb -0.15 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1qvg s PRO 56 CO -0.01 0.58 0.69 0.08 0.04 0.00 0.00 177.00 178.38 1qvg s VAL 57 N -1.41 4.83 0.18 -0.36 1.01 0.23 -4.87 120.40 120.02 1qvg s VAL 57 Ca 0.32 0.73 -0.33 0.00 0.00 0.00 0.00 61.98 62.70 1qvg s VAL 57 Cb -0.13 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 1qvg s VAL 57 CO 0.19 -0.35 1.58 -2.65 0.00 0.00 0.00 175.10 173.86 1qvg n PRO 58 N 6.18 2.24 -3.65 2.72 -0.02 -1.26 -1.97 135.00 139.23 1qvg n PRO 58 Ca 0.00 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 1qvg n PRO 58 Cb 0.48 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 1qvg n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1qvg s PHE 59 N 0.78 3.35 -0.08 6.00 2.99 -0.85 -4.84 117.98 125.33 1qvg s PHE 59 Ca 0.76 -1.61 0.15 0.00 0.00 0.00 0.00 56.93 56.24 1qvg s PHE 59 Cb -0.65 -2.86 -0.23 0.00 0.00 0.00 0.00 43.02 39.29 1qvg s PHE 59 CO 0.39 -0.84 0.22 1.63 -0.00 0.00 0.00 175.22 176.62 1qvg n LYS 60 N 4.86 0.96 -0.09 0.44 5.02 -1.26 -4.54 118.16 123.54 1qvg n LYS 60 Ca -0.10 -0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 55.94 1qvg n LYS 60 Cb 0.43 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1qvg n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1qvg n GLN 61 N -2.31 0.43 -3.07 1.97 7.27 -1.26 -4.72 117.38 115.68 1qvg n GLN 61 Ca -0.14 0.14 -0.40 0.00 0.07 0.00 0.00 57.00 56.68 1qvg n GLN 61 Cb 0.71 -1.27 -0.01 0.00 2.41 0.00 0.00 30.24 32.08 1qvg n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1qvg n HIS 62 N -3.45 2.50 0.09 3.69 8.25 -1.26 -4.72 115.22 120.32 1qvg n HIS 62 Ca -0.35 -2.86 0.06 0.00 -0.26 0.00 0.00 57.72 54.31 1qvg n HIS 62 Cb 0.80 -1.12 0.12 0.00 1.12 0.00 0.00 29.99 30.91 1qvg n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qvg n ASN 63 N 1.18 2.59 -4.68 0.41 6.94 -1.26 -4.96 115.26 115.48 1qvg n ASN 63 Ca 0.27 -1.79 -0.48 0.00 -0.02 0.00 0.00 54.58 52.56 1qvg n ASN 63 Cb 0.34 -0.15 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 1qvg n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1qvg n SER 64 N 0.62 3.32 0.00 0.53 3.41 -1.26 -0.79 113.62 119.45 1qvg n SER 64 Ca 0.10 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1qvg n SER 64 Cb 0.38 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1qvg n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qvg n GLY 65 N 4.12 0.46 3.77 5.00 0.00 -1.26 -4.99 105.19 112.28 1qvg n GLY 65 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1qvg n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qvg s VAL 66 N -2.19 4.17 0.23 1.61 1.01 0.03 -5.03 120.40 120.23 1qvg s VAL 66 Ca 0.00 1.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.71 1qvg s VAL 66 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1qvg s VAL 66 CO 0.00 0.39 0.74 -0.83 0.00 0.00 0.00 175.10 175.39 1qvg s GLY 67 N -1.32 2.61 0.62 4.51 0.00 -1.26 -4.85 107.32 107.62 1qvg s GLY 67 Ca 0.43 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 45.13 1qvg s GLY 67 CO 0.28 0.53 1.31 1.42 0.00 0.00 0.00 173.10 176.64 1qvg n HIS 68 N 0.65 2.02 -4.77 1.90 -0.00 -1.26 -3.76 115.22 110.00 1qvg n HIS 68 Ca -0.02 0.42 -0.30 0.00 -0.00 0.00 0.00 57.72 57.82 1qvg n HIS 68 Cb 0.51 -2.30 -0.17 0.00 -0.00 0.00 0.00 29.99 28.04 1qvg n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1qvg s LYS 69 N -3.20 2.67 0.21 -0.41 -0.14 0.92 -4.89 119.74 114.91 1qvg s LYS 69 Ca 0.79 -0.74 -0.09 0.00 -1.36 0.00 0.00 55.97 54.57 1qvg s LYS 69 Cb -0.39 -2.14 0.19 0.00 -1.68 0.00 0.00 37.83 33.81 1qvg s LYS 69 CO 0.43 0.03 1.87 0.66 -0.76 0.00 0.00 175.35 177.59 1qvg h SER 70 N 7.13 0.85 0.38 2.83 4.64 -1.96 -2.62 113.55 124.80 1qvg h SER 70 Ca -0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1qvg h SER 70 Cb 1.20 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1qvg h SER 70 CO 0.50 0.60 0.00 0.11 -0.87 0.00 0.00 176.83 177.18 1qvg h LYS 71 N 1.00 0.00 -6.48 4.77 1.57 -1.96 -3.43 116.57 112.04 1qvg h LYS 71 Ca 0.29 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.54 1qvg h LYS 71 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1qvg h LYS 71 CO -0.08 0.00 0.59 0.08 -0.57 0.00 0.00 179.45 179.47 1qvg s VAL 72 N -3.69 3.95 -0.18 0.50 1.01 -0.99 -4.97 120.40 116.03 1qvg s VAL 72 Ca -0.01 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.31 1qvg s VAL 72 Cb 0.09 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1qvg s VAL 72 CO 0.37 0.10 0.01 -0.62 0.00 0.00 0.00 175.10 174.96 1qvg s ASP 73 N 1.10 5.08 0.00 3.32 2.15 -1.26 -4.34 116.67 122.72 1qvg s ASP 73 Ca 0.59 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.49 1qvg s ASP 73 Cb -0.30 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1qvg s ASP 73 CO 0.29 0.14 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1qvg n GLY 74 N 3.76 1.54 1.56 2.66 0.00 -1.26 -4.97 105.19 108.47 1qvg n GLY 74 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1qvg n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1qvg n TRP 75 N -2.00 -0.70 0.00 1.61 -0.00 -1.26 -5.13 117.44 109.96 1qvg n TRP 75 Ca 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 57.50 56.31 1qvg n TRP 75 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 31.31 31.52 1qvg n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1qvg n ASP 76 N -2.09 0.00 -4.82 5.87 5.68 -1.26 -4.77 116.55 115.17 1qvg n ASP 76 Ca 0.02 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.98 1qvg n ASP 76 Cb 0.28 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.21 1qvg n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qvg s ALA 77 N -2.00 2.99 -0.27 2.12 0.00 -1.26 -0.06 121.76 123.28 1qvg s ALA 77 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 51.96 52.01 1qvg s ALA 77 Cb 0.00 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 20.11 1qvg s ALA 77 CO 0.00 -0.06 1.35 0.20 0.00 0.00 0.00 175.76 177.25 1qvg s GLY 78 N -2.28 -0.18 0.06 0.00 0.00 -1.25 -2.01 107.32 101.67 1qvg s GLY 78 Ca 0.63 1.98 0.01 0.00 0.00 0.00 0.00 44.72 47.34 1qvg s GLY 78 CO 0.18 0.68 0.06 0.54 0.00 0.00 0.00 173.10 174.56 1qvg n ARG 79 N 0.04 0.08 -3.59 2.90 1.74 -0.83 -4.75 116.66 112.25 1qvg n ARG 79 Ca 0.04 -0.63 -0.27 0.00 -0.77 0.00 0.00 57.85 56.22 1qvg n ARG 79 Cb 0.57 0.52 -0.10 0.00 -1.02 0.00 0.00 32.46 32.43 1qvg n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1qvg n TYR 80 N -0.12 2.89 -1.98 -1.55 4.02 -1.26 0.78 117.16 119.94 1qvg n TYR 80 Ca 0.01 -4.12 -0.25 0.00 -0.01 0.00 0.00 57.90 53.53 1qvg n TYR 80 Cb 0.12 -0.52 -0.06 0.00 -0.02 0.00 0.00 39.34 38.85 1qvg n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1qvg s PRO 81 N -1.82 2.31 0.23 -0.72 0.02 -1.26 -4.81 135.00 128.95 1qvg s PRO 81 Ca 0.33 -0.73 -0.02 0.00 0.02 0.00 0.00 61.00 60.60 1qvg s PRO 81 Cb 0.07 -5.13 0.25 0.00 0.02 0.00 0.00 34.50 29.70 1qvg s PRO 81 CO -0.09 -4.00 1.64 1.05 -0.33 0.00 0.00 177.00 175.26 1qvg h GLU 82 N 10.57 0.64 0.70 5.54 4.11 -1.92 -0.15 114.58 134.06 1qvg h GLU 82 Ca 0.15 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1qvg h GLU 82 Cb 0.97 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.20 1qvg h GLU 82 CO 1.18 0.85 -0.33 -0.22 0.07 0.00 0.00 179.01 180.56 1qvg h LYS 83 N 0.55 -0.90 -0.97 1.06 3.64 -2.00 -0.73 116.57 117.23 1qvg h LYS 83 Ca 0.07 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1qvg h LYS 83 Cb 0.77 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 1qvg h LYS 83 CO 0.06 -0.57 0.60 0.00 -2.27 0.00 0.00 179.45 177.27 1qvg h ALA 84 N -1.05 1.43 -0.86 5.00 0.00 -1.93 -1.43 119.26 120.41 1qvg h ALA 84 Ca -0.10 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1qvg h ALA 84 Cb 0.74 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1qvg h ALA 84 CO 0.16 0.22 0.57 0.77 0.00 0.00 0.00 179.25 180.97 1qvg h SER 85 N 0.97 0.98 -0.60 0.00 0.02 -0.88 -1.82 113.55 112.22 1qvg h SER 85 Ca 0.47 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.33 1qvg h SER 85 Cb 0.43 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1qvg h SER 85 CO -0.25 0.71 0.15 0.11 -1.14 0.00 0.00 176.83 176.41 1qvg h LYS 86 N 1.16 1.00 0.00 3.45 1.57 -0.10 -0.83 116.57 122.82 1qvg h LYS 86 Ca 0.32 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1qvg h LYS 86 Cb -0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1qvg h LYS 86 CO -0.07 0.89 -0.22 0.00 -0.57 0.00 0.00 179.45 179.47 1qvg h ALA 87 N 1.21 1.07 0.03 3.86 0.00 -0.84 -2.04 119.26 122.54 1qvg h ALA 87 Ca 0.20 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1qvg h ALA 87 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qvg h ALA 87 CO 0.00 0.28 -0.96 0.74 0.00 0.00 0.00 179.25 179.30 1qvg h PHE 88 N 0.00 0.29 0.00 0.00 -1.00 -0.51 -2.10 116.94 113.63 1qvg h PHE 88 Ca -0.00 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1qvg h PHE 88 Cb 0.68 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.21 1qvg h PHE 88 CO 0.00 1.04 0.00 -0.07 -1.61 0.00 0.00 178.31 177.67 1qvg h LEU 89 N 0.09 0.00 0.15 1.54 3.38 -0.51 0.51 115.31 120.47 1qvg h LEU 89 Ca -0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 1qvg h LEU 89 Cb 1.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1qvg h LEU 89 CO 0.15 0.00 -1.69 0.44 0.09 0.00 0.00 178.44 177.42 1qvg h ASP 90 N 0.00 0.50 -0.51 -0.43 5.19 -1.23 -1.96 116.42 117.97 1qvg h ASP 90 Ca 0.00 -0.76 -0.07 0.00 -0.62 0.00 0.00 57.03 55.58 1qvg h ASP 90 Cb 0.40 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1qvg h ASP 90 CO 0.00 1.64 0.02 0.25 -3.12 0.00 0.00 179.24 178.03 1qvg h LEU 91 N 0.09 0.86 -0.26 1.55 5.85 -0.51 -2.32 115.31 120.57 1qvg h LEU 91 Ca -0.31 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.03 1qvg h LEU 91 Cb 2.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1qvg h LEU 91 CO 0.16 0.94 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.98 1qvg h LEU 92 N 0.75 0.58 -0.94 2.25 3.38 -0.10 -1.27 115.31 119.97 1qvg h LEU 92 Ca 0.15 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 57.83 1qvg h LEU 92 Cb 0.49 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1qvg h LEU 92 CO 0.02 0.88 0.55 -0.08 0.09 0.00 0.00 178.44 179.91 1qvg h GLU 93 N 0.29 0.78 -0.18 1.13 4.81 -1.28 0.59 114.58 120.73 1qvg h GLU 93 Ca 0.05 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1qvg h GLU 93 Cb 0.68 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1qvg h GLU 93 CO 0.04 0.52 -0.16 -0.97 -0.73 0.00 0.00 179.01 177.71 1qvg h ASN 94 N 0.81 0.44 -0.42 1.04 -1.24 -1.14 -0.38 115.58 114.69 1qvg h ASN 94 Ca 0.50 -0.47 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1qvg h ASN 94 Cb 0.62 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1qvg h ASN 94 CO -0.32 0.82 0.12 0.00 -1.29 0.00 0.00 177.43 176.76 1qvg h ALA 95 N 0.64 0.55 0.00 1.57 0.00 -0.51 -0.75 119.26 120.75 1qvg h ALA 95 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1qvg h ALA 95 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qvg h ALA 95 CO 0.04 0.21 -0.19 0.28 0.00 0.00 0.00 179.25 179.59 1qvg h VAL 96 N 0.53 0.50 0.16 0.00 2.07 -0.92 -0.43 116.25 118.15 1qvg h VAL 96 Ca 0.13 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1qvg h VAL 96 Cb 0.29 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1qvg h VAL 96 CO -0.00 0.18 -0.08 1.23 0.02 0.00 0.00 177.57 178.93 1qvg h GLY 97 N 1.88 -0.22 1.30 2.17 0.00 -0.37 -2.56 103.07 105.27 1qvg h GLY 97 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1qvg h GLY 97 CO 0.02 -0.08 0.45 3.43 0.00 0.00 0.00 176.54 180.36 1qvg h ASN 98 N -0.71 0.82 -0.64 0.19 -0.26 -0.98 -2.10 115.58 111.90 1qvg h ASN 98 Ca -0.02 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.63 1qvg h ASN 98 Cb 0.51 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1qvg h ASN 98 CO 0.04 0.60 0.17 0.00 -1.06 0.00 0.00 177.43 177.18 1qvg h ALA 99 N 1.54 1.05 0.01 -0.83 0.00 -1.07 -2.92 119.26 117.04 1qvg h ALA 99 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qvg h ALA 99 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1qvg h ALA 99 CO -0.05 0.63 -0.01 -0.44 0.00 0.00 0.00 179.25 179.38 1qvg h ASP 100 N 0.99 -0.01 0.00 0.00 3.32 -1.00 -1.03 116.42 118.69 1qvg h ASP 100 Ca 0.21 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1qvg h ASP 100 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1qvg h ASP 100 CO -0.00 0.56 0.02 1.57 -1.72 0.00 0.00 179.24 179.66 1qvg n HIS 101 N -4.82 0.00 0.19 4.55 -0.00 -0.84 0.10 115.22 114.40 1qvg n HIS 101 Ca -0.09 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.13 1qvg n HIS 101 Cb 0.29 -0.10 0.05 0.00 -0.12 0.00 0.00 29.99 30.11 1qvg n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1qvg n GLN 102 N -1.05 0.88 -0.48 1.57 6.02 -1.04 -4.99 117.38 118.30 1qvg n GLN 102 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1qvg n GLN 102 Cb 0.02 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1qvg n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qvg n GLY 103 N 0.36 0.76 4.01 1.08 0.00 0.28 -5.07 105.19 106.61 1qvg n GLY 103 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1qvg n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qvg s PHE 104 N -2.24 1.39 -0.90 1.61 0.40 -0.42 -5.01 117.98 112.81 1qvg s PHE 104 Ca 0.00 -0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 55.73 1qvg s PHE 104 Cb 0.00 -2.63 0.23 0.00 0.51 0.00 0.00 43.02 41.13 1qvg s PHE 104 CO 0.00 -1.51 0.82 0.34 0.70 0.00 0.00 175.22 175.57 1qvg s ASP 105 N -4.73 6.55 0.00 1.36 2.15 -1.26 -4.25 116.67 116.49 1qvg s ASP 105 Ca 0.65 -3.19 0.00 0.00 0.43 0.00 0.00 52.55 50.44 1qvg s ASP 105 Cb -0.05 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1qvg s ASP 105 CO 0.42 -0.38 0.80 0.61 -0.17 0.00 0.00 175.17 176.45 1qvg n GLY 106 N 3.20 -2.62 0.40 2.66 0.00 -1.26 -1.28 105.19 106.28 1qvg n GLY 106 Ca 0.17 0.50 0.26 0.00 0.00 0.00 0.00 46.02 46.95 1qvg n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qvg h GLU 107 N 0.00 0.32 0.00 1.61 5.08 -1.94 0.29 114.58 119.94 1qvg h GLU 107 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qvg h GLU 107 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1qvg h GLU 107 CO 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1qvg n ALA 108 N -2.42 2.12 -1.76 3.43 0.00 -0.40 -1.85 120.51 119.62 1qvg n ALA 108 Ca 0.30 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1qvg n ALA 108 Cb 1.01 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1qvg n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qvg s MET 109 N -3.02 4.48 0.18 0.00 -1.94 0.10 -4.60 119.30 114.50 1qvg s MET 109 Ca 0.11 1.96 -0.28 0.00 -1.71 0.00 0.00 55.69 55.78 1qvg s MET 109 Cb 0.16 -3.10 -0.08 0.00 2.01 0.00 0.00 34.83 33.82 1qvg s MET 109 CO 0.46 0.02 0.86 0.99 -0.01 0.00 0.00 175.02 177.33 1qvg s THR 110 N -1.18 4.30 -0.91 2.05 2.01 -0.36 -0.44 115.64 121.11 1qvg s THR 110 Ca 0.47 1.89 -0.24 0.00 0.31 0.00 0.00 61.69 64.12 1qvg s THR 110 Cb -0.35 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 67.98 1qvg s THR 110 CO 0.45 0.48 1.36 -0.63 -0.69 0.00 0.00 174.62 175.59 1qvg s ILE 111 N -0.93 3.92 0.22 1.82 1.01 0.51 -1.05 121.20 126.69 1qvg s ILE 111 Ca 0.39 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1qvg s ILE 111 Cb -0.24 -4.98 -0.06 0.00 0.01 0.00 0.00 42.46 37.19 1qvg s ILE 111 CO 0.29 -1.87 1.53 0.50 0.00 0.00 0.00 174.94 175.38 1qvg h LYS 112 N 9.81 0.29 -2.32 2.79 3.64 -1.57 -0.94 116.57 128.27 1qvg h LYS 112 Ca 0.02 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1qvg h LYS 112 Cb 1.03 0.03 -0.23 0.00 -0.41 0.00 0.00 32.23 32.65 1qvg h LYS 112 CO 1.35 0.82 -0.06 -1.58 -2.27 0.00 0.00 179.45 177.72 1qvg s HIS 113 N -3.74 -0.69 -0.24 1.91 5.04 -1.15 -4.86 115.29 111.56 1qvg s HIS 113 Ca -0.04 1.61 -0.10 0.00 -1.54 0.00 0.00 55.06 54.98 1qvg s HIS 113 Cb 0.12 0.28 0.09 0.00 0.04 0.00 0.00 32.58 33.11 1qvg s HIS 113 CO 0.81 -0.34 0.54 0.54 -2.34 0.00 0.00 174.74 173.94 1qvg s VAL 114 N 0.62 -0.45 -0.07 0.89 0.11 -1.26 -0.18 120.40 120.06 1qvg s VAL 114 Ca -0.03 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 1qvg s VAL 114 Cb -0.05 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1qvg s VAL 114 CO -0.04 0.03 0.30 0.00 -3.33 0.00 0.00 175.10 172.06 1qvg s ALA 115 N 2.19 -0.75 0.05 1.54 0.00 -0.80 -4.74 121.76 119.27 1qvg s ALA 115 Ca -0.06 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1qvg s ALA 115 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1qvg s ALA 115 CO -0.16 -0.20 0.04 0.00 0.00 0.00 0.00 175.76 175.44 1qvg s ALA 116 N -0.57 3.44 -0.01 0.00 0.00 -1.26 -1.49 121.76 121.87 1qvg s ALA 116 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1qvg s ALA 116 Cb -0.04 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1qvg s ALA 116 CO 0.02 0.71 0.00 -1.01 0.00 0.00 0.00 175.76 175.48 1qvg s HIS 117 N -1.28 0.12 -0.48 0.00 3.76 -0.35 -4.95 115.29 112.11 1qvg s HIS 117 Ca 0.25 0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.94 1qvg s HIS 117 Cb -0.12 -0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.42 1qvg s HIS 117 CO 0.17 -0.05 0.96 0.21 -0.85 0.00 0.00 174.74 175.18 1qvg s LYS 118 N 0.50 3.51 0.14 1.40 2.20 -1.26 -1.35 119.74 124.88 1qvg s LYS 118 Ca -0.04 0.13 0.25 0.00 -0.36 0.00 0.00 55.97 55.94 1qvg s LYS 118 Cb -0.07 -3.95 0.51 0.00 -1.51 0.00 0.00 37.83 32.81 1qvg s LYS 118 CO -0.01 -1.31 1.47 0.28 -0.36 0.00 0.00 175.35 175.42 1qvg n VAL 119 N 6.44 0.41 -3.86 4.02 0.31 0.24 -4.99 118.33 120.89 1qvg n VAL 119 Ca 0.06 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1qvg n VAL 119 Cb 0.48 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1qvg n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qvg n GLY 120 N 1.34 -0.88 2.90 2.92 0.00 -1.17 -4.97 105.19 105.33 1qvg n GLY 120 Ca 0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1qvg n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 121 N -1.72 0.06 -0.38 1.61 2.02 -1.26 -0.87 118.70 118.16 1qvg s GLU 121 Ca 0.00 0.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.90 1qvg s GLU 121 Cb 0.00 -0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.18 1qvg s GLU 121 CO 0.00 -0.07 0.93 -1.14 0.02 0.00 0.00 175.26 175.00 1qvg s GLN 122 N 0.47 3.79 0.26 1.61 0.74 0.11 -4.88 119.66 121.77 1qvg s GLN 122 Ca -0.04 0.52 -0.29 0.00 0.05 0.00 0.00 55.36 55.59 1qvg s GLN 122 Cb -0.05 -3.82 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 1qvg s GLN 122 CO -0.02 -0.99 1.12 -0.65 -0.55 0.00 0.00 175.29 174.20 1qvg s GLN 123 N 3.53 4.60 0.11 1.67 -0.21 -1.26 -1.77 119.66 126.33 1qvg s GLN 123 Ca 0.38 1.83 0.03 0.00 0.02 0.00 0.00 55.36 57.63 1qvg s GLN 123 Cb -0.12 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 1qvg s GLN 123 CO 0.20 0.14 -0.09 0.20 -2.12 0.00 0.00 175.29 173.62 1qvg s GLY 124 N -0.67 0.89 -0.08 3.09 0.00 -1.16 -4.94 107.32 104.45 1qvg s GLY 124 Ca 0.46 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1qvg s GLY 124 CO 0.41 -1.41 -0.08 -1.60 0.00 0.00 0.00 173.10 170.41 1qvg s ARG 125 N -3.35 1.40 -0.22 2.90 6.06 -1.26 -0.34 118.95 124.15 1qvg s ARG 125 Ca 0.10 -0.27 -0.05 0.00 -2.50 0.00 0.00 55.73 53.01 1qvg s ARG 125 Cb 0.01 -1.33 -0.02 0.00 0.06 0.00 0.00 34.95 33.67 1qvg s ARG 125 CO -0.01 -0.11 0.00 0.21 -2.50 0.00 0.00 175.30 172.89 1qvg s LYS 126 N 1.13 3.54 0.45 5.12 2.47 0.82 -4.85 119.74 128.43 1qvg s LYS 126 Ca -0.06 -0.55 -0.25 0.00 -1.56 0.00 0.00 55.97 53.55 1qvg s LYS 126 Cb -0.14 -3.12 -0.08 0.00 -1.46 0.00 0.00 37.83 33.03 1qvg s LYS 126 CO -0.01 -0.11 1.37 -2.14 0.16 0.00 0.00 175.35 174.62 1qvg s PRO 127 N 1.32 3.68 0.38 4.03 0.02 -1.26 -1.59 135.00 141.58 1qvg s PRO 127 Ca 0.04 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.39 1qvg s PRO 127 Cb -0.15 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1qvg s PRO 127 CO 0.01 -0.78 0.08 1.03 -0.33 0.00 0.00 177.00 177.01 1qvg s ARG 128 N -2.47 1.84 0.75 5.54 1.81 0.14 -4.87 118.95 121.69 1qvg s ARG 128 Ca 0.62 -2.09 -0.11 0.00 -1.72 0.00 0.00 55.73 52.43 1qvg s ARG 128 Cb -0.41 -0.89 0.05 0.00 -0.45 0.00 0.00 34.95 33.24 1qvg s ARG 128 CO 0.52 -0.31 1.09 0.00 -0.68 0.00 0.00 175.30 175.92 1qvg s ALA 129 N -3.18 2.33 -0.52 2.13 0.00 -1.26 -3.78 121.76 117.48 1qvg s ALA 129 Ca 0.28 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1qvg s ALA 129 Cb 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1qvg s ALA 129 CO 0.14 -1.66 0.00 -1.33 0.00 0.00 0.00 175.76 172.91 1qvg n MET 130 N -3.41 -0.35 -1.14 0.00 2.81 -1.26 -3.55 117.12 110.23 1qvg n MET 130 Ca 0.09 0.67 -0.05 0.00 -1.81 0.00 0.00 57.70 56.60 1qvg n MET 130 Cb 0.53 -4.38 -0.02 0.00 -0.71 0.00 0.00 33.22 28.64 1qvg n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qvg n GLY 131 N -2.38 0.72 3.66 3.03 0.00 -1.25 -5.03 105.19 103.95 1qvg n GLY 131 Ca -0.05 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1qvg n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qvg s ARG 132 N -1.95 2.37 0.14 1.61 3.52 -1.23 -4.99 118.95 118.42 1qvg s ARG 132 Ca 0.00 -1.27 0.07 0.00 -0.13 0.00 0.00 55.73 54.40 1qvg s ARG 132 Cb 0.00 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1qvg s ARG 132 CO 0.00 0.40 -0.16 0.00 -0.81 0.00 0.00 175.30 174.73 1qvg s ALA 133 N -2.08 1.71 0.10 6.12 0.00 -1.26 0.23 121.76 126.59 1qvg s ALA 133 Ca 0.30 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1qvg s ALA 133 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1qvg s ALA 133 CO 0.20 0.16 0.03 -1.54 0.00 0.00 0.00 175.76 174.61 1qvg s SER 134 N -2.54 0.37 0.55 0.00 1.04 -0.62 -4.92 113.70 107.57 1qvg s SER 134 Ca 0.12 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.20 1qvg s SER 134 Cb -0.05 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1qvg s SER 134 CO 0.04 -0.69 1.36 0.00 0.98 0.00 0.00 173.24 174.94 1qvg s ALA 135 N -4.00 2.82 -0.44 5.32 0.00 -1.26 -0.13 121.76 124.07 1qvg s ALA 135 Ca 0.18 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1qvg s ALA 135 Cb 0.08 -3.57 0.24 0.00 0.00 0.00 0.00 23.12 19.87 1qvg s ALA 135 CO -0.02 -1.38 0.69 1.87 0.00 0.00 0.00 175.76 176.92 1qvg n TRP 136 N -1.03 -1.88 -2.72 0.00 -0.00 0.54 -4.60 117.44 107.74 1qvg n TRP 136 Ca 0.10 -2.64 -0.21 0.00 -0.00 0.00 0.00 57.50 54.75 1qvg n TRP 136 Cb 0.45 0.62 0.05 0.00 -0.00 0.00 0.00 31.31 32.42 1qvg n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1qvg s ASN 137 N -1.28 5.15 -0.08 5.87 0.01 -1.26 -3.00 114.94 120.35 1qvg s ASN 137 Ca 0.33 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.28 1qvg s ASN 137 Cb 0.18 -0.57 0.02 0.00 0.41 0.00 0.00 41.25 41.29 1qvg s ASN 137 CO -0.17 -1.23 -0.12 -0.44 -1.51 0.00 0.00 177.10 173.63 1qvg s SER 138 N -4.49 1.92 0.52 -1.22 0.01 -0.73 -4.92 113.70 104.79 1qvg s SER 138 Ca 0.59 -0.31 -0.20 0.00 1.31 0.00 0.00 55.95 57.34 1qvg s SER 138 Cb -0.09 -0.85 -0.06 0.00 0.21 0.00 0.00 66.02 65.22 1qvg s SER 138 CO 0.39 -0.00 1.13 -2.84 0.41 0.00 0.00 173.24 172.33 1qvg s PRO 139 N 0.91 3.46 -0.19 12.44 0.02 -1.26 0.07 135.00 150.45 1qvg s PRO 139 Ca -0.10 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.56 1qvg s PRO 139 Cb -0.15 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1qvg s PRO 139 CO 0.01 -0.77 -0.19 -0.65 -0.33 0.00 0.00 177.00 175.07 1qvg s GLN 140 N -3.17 2.93 0.05 5.54 -0.21 -0.05 -3.25 119.66 121.50 1qvg s GLN 140 Ca 0.71 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 55.26 1qvg s GLN 140 Cb -0.24 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1qvg s GLN 140 CO 0.28 -0.24 -0.06 0.08 -2.12 0.00 0.00 175.29 173.23 1qvg s VAL 141 N 1.28 3.69 0.15 1.09 1.01 0.25 -0.59 120.40 127.28 1qvg s VAL 141 Ca 0.04 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1qvg s VAL 141 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1qvg s VAL 141 CO -0.12 0.26 -0.24 -1.81 0.00 0.00 0.00 175.10 173.18 1qvg s ASP 142 N -1.84 3.18 -0.21 3.32 1.11 -0.46 0.14 116.67 121.92 1qvg s ASP 142 Ca 0.20 -0.80 -0.13 0.00 0.18 0.00 0.00 52.55 52.00 1qvg s ASP 142 Cb -0.11 -0.21 0.06 0.00 1.07 0.00 0.00 42.92 43.73 1qvg s ASP 142 CO 0.12 0.12 0.51 0.54 1.18 0.00 0.00 175.17 177.64 1qvg s VAL 143 N -1.42 -0.01 0.00 -1.27 0.11 -0.84 -1.22 120.40 115.76 1qvg s VAL 143 Ca 0.16 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1qvg s VAL 143 Cb -0.09 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1qvg s VAL 143 CO 0.07 0.02 0.08 -1.83 -3.33 0.00 0.00 175.10 170.11 1qvg s GLU 144 N 1.25 3.04 -0.06 1.54 -1.05 -0.56 -1.13 118.70 121.73 1qvg s GLU 144 Ca -0.08 -0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.20 1qvg s GLU 144 Cb -0.06 -2.84 0.03 0.00 -0.44 0.00 0.00 34.13 30.82 1qvg s GLU 144 CO -0.12 0.64 0.13 -1.17 0.95 0.00 0.00 175.26 175.69 1qvg s LEU 145 N -1.78 0.93 -0.18 1.83 2.96 -0.36 -1.90 118.68 120.19 1qvg s LEU 145 Ca 0.23 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1qvg s LEU 145 Cb -0.12 0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.97 1qvg s LEU 145 CO 0.14 -0.12 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.35 1qvg s ILE 146 N 0.90 1.31 0.04 6.68 1.01 0.74 -1.30 121.20 130.59 1qvg s ILE 146 Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1qvg s ILE 146 Cb -0.09 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 1qvg s ILE 146 CO -0.04 0.15 0.47 -0.76 0.00 0.00 0.00 174.94 174.75 1qvg s LEU 147 N 1.54 4.47 -0.02 2.97 1.43 0.27 -1.44 118.68 127.91 1qvg s LEU 147 Ca 0.00 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1qvg s LEU 147 Cb -0.16 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1qvg s LEU 147 CO -0.08 0.28 -0.06 -0.70 0.23 0.00 0.00 176.35 176.02 1qvg s GLU 148 N -1.22 0.64 0.21 1.70 2.12 -0.21 -0.94 118.70 120.99 1qvg s GLU 148 Ca 0.27 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 1qvg s GLU 148 Cb -0.17 -0.62 -0.11 0.00 0.26 0.00 0.00 34.13 33.49 1qvg s GLU 148 CO 0.16 0.09 1.59 -1.21 -0.54 0.00 0.00 175.26 175.36 1qvg s GLU 149 N 0.11 4.19 0.00 4.30 2.02 -1.14 -1.22 118.70 126.96 1qvg s GLU 149 Ca -0.01 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.43 1qvg s GLU 149 Cb -0.06 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1qvg s GLU 149 CO -0.00 -0.62 0.06 -2.30 0.02 0.00 0.00 175.26 172.42