#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vqy n ASP -8 N 0.00 0.05 -4.51 4.04 8.00 -1.26 -5.06 116.55 117.80 1vqy n ASP -8 Ca 0.00 0.47 -0.25 0.00 0.71 0.00 0.00 54.79 55.72 1vqy n ASP -8 Cb 0.00 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 39.58 1vqy n ASP -8 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vqy s LYS -7 N -4.18 1.79 -0.04 -1.24 -0.14 -1.26 -5.15 119.74 109.52 1vqy s LYS -7 Ca 0.67 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 1vqy s LYS -7 Cb -0.25 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1vqy s LYS -7 CO 0.57 0.26 -0.00 0.42 -0.76 0.00 0.00 175.35 175.84 1vqy s ILE -6 N -2.53 0.24 0.02 2.17 1.01 -1.26 -5.08 121.20 115.77 1vqy s ILE -6 Ca 0.31 0.08 0.07 0.00 0.00 0.00 0.00 60.65 61.11 1vqy s ILE -6 Cb -0.03 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1vqy s ILE -6 CO 0.16 0.17 -0.20 -1.00 0.00 0.00 0.00 174.94 174.07 1vqy s HIS -5 N 1.19 1.77 0.00 3.97 3.76 -1.26 -5.04 115.29 119.68 1vqy s HIS -5 Ca -0.07 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1vqy s HIS -5 Cb -0.13 -1.09 0.00 0.00 1.11 0.00 0.00 32.58 32.46 1vqy s HIS -5 CO -0.02 0.03 0.00 0.72 -0.85 0.00 0.00 174.74 174.62 1vqy n HIS -4 N 2.20 0.00 -4.23 1.40 8.25 -1.26 -5.07 115.22 116.51 1vqy n HIS -4 Ca -0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.11 1vqy n HIS -4 Cb 0.53 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.52 1vqy n HIS -4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1vqy s HIS -3 N -1.96 1.18 0.31 4.41 3.76 -1.26 -5.14 115.29 116.59 1vqy s HIS -3 Ca 0.00 -0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 54.21 1vqy s HIS -3 Cb 0.00 -0.68 -0.09 0.00 1.11 0.00 0.00 32.58 32.91 1vqy s HIS -3 CO 0.00 0.04 1.11 -1.58 -0.85 0.00 0.00 174.74 173.46 1vqy s HIS -2 N -1.11 3.48 -0.05 1.40 2.46 -1.26 -5.06 115.29 115.15 1vqy s HIS -2 Ca -0.01 1.67 0.03 0.00 0.47 0.00 0.00 55.06 57.22 1vqy s HIS -2 Cb -0.09 -3.29 0.01 0.00 -0.13 0.00 0.00 32.58 29.08 1vqy s HIS -2 CO 0.02 -0.67 -0.12 -3.38 -2.47 0.00 0.00 174.74 168.12 1vqy s HIS -1 N -1.25 1.35 0.77 3.88 -3.43 -1.26 -5.29 115.29 110.06 1vqy s HIS -1 Ca 0.47 -0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 54.18 1vqy s HIS -1 Cb -0.31 -0.97 0.05 0.00 -1.43 0.00 0.00 32.58 29.92 1vqy s HIS -1 CO 0.40 -0.21 1.08 -3.38 -2.00 0.00 0.00 174.74 170.63 1vqy s HIS 0 N 0.47 2.74 0.10 0.38 -3.43 -1.26 -5.03 115.29 109.26 1vqy s HIS 0 Ca -0.10 1.44 -0.19 0.00 -0.80 0.00 0.00 55.06 55.40 1vqy s HIS 0 Cb -0.13 -3.02 0.05 0.00 -1.43 0.00 0.00 32.58 28.05 1vqy s HIS 0 CO 0.03 -1.69 0.47 0.96 -2.00 0.00 0.00 174.74 172.50 1vqy s ILE 2 N -2.98 0.05 -0.10 -5.38 -5.25 0.60 -4.55 121.20 103.60 1vqy s ILE 2 Ca 0.60 -0.38 0.02 0.00 -0.99 0.00 0.00 60.65 59.91 1vqy s ILE 2 Cb -0.16 -1.06 0.01 0.00 2.95 0.00 0.00 42.46 44.20 1vqy s ILE 2 CO 0.56 -0.21 -0.17 -0.69 -1.79 0.00 0.00 174.94 172.64 1vqy s VAL 3 N -3.30 1.59 -0.22 8.37 1.01 -0.51 -0.93 120.40 126.41 1vqy s VAL 3 Ca -0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1vqy s VAL 3 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1vqy s VAL 3 CO -0.08 0.46 0.14 -0.70 0.00 0.00 0.00 175.10 174.92 1vqy s GLU 4 N 0.77 4.13 -0.28 2.72 2.12 0.39 -0.26 118.70 128.29 1vqy s GLU 4 Ca -0.11 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 54.89 1vqy s GLU 4 Cb -0.16 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1vqy s GLU 4 CO 0.02 0.19 0.12 -2.00 -0.54 0.00 0.00 175.26 173.05 1vqy s GLU 5 N 0.68 3.61 -0.10 4.30 2.12 -0.58 -1.29 118.70 127.44 1vqy s GLU 5 Ca 0.08 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 1vqy s GLU 5 Cb -0.12 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1vqy s GLU 5 CO 0.01 -0.26 -0.03 1.03 -0.54 0.00 0.00 175.26 175.47 1vqy s ARG 6 N 1.65 3.11 -0.20 4.30 0.52 -0.51 -1.53 118.95 126.28 1vqy s ARG 6 Ca 0.06 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1vqy s ARG 6 Cb -0.16 -2.77 0.07 0.00 0.52 0.00 0.00 34.95 32.61 1vqy s ARG 6 CO 0.06 0.56 0.07 0.42 0.02 0.00 0.00 175.30 176.43 1vqy s ILE 7 N -0.51 0.29 -0.09 1.52 1.01 -0.34 -1.53 121.20 121.56 1vqy s ILE 7 Ca 0.08 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1vqy s ILE 7 Cb -0.12 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1vqy s ILE 7 CO 0.02 -0.32 -0.11 -0.31 0.00 0.00 0.00 174.94 174.22 1vqy s TYR 8 N 1.96 2.82 -0.28 3.97 2.02 -0.49 -1.73 117.35 125.61 1vqy s TYR 8 Ca 0.02 -0.26 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 1vqy s TYR 8 Cb -0.17 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1vqy s TYR 8 CO -0.12 0.10 0.46 0.50 -1.57 0.00 0.00 175.55 174.91 1vqy s ARG 9 N -0.36 3.97 0.22 -0.62 3.52 -0.19 -0.72 118.95 124.76 1vqy s ARG 9 Ca 0.04 0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.62 1vqy s ARG 9 Cb -0.12 -3.68 -0.08 0.00 -1.56 0.00 0.00 34.95 29.51 1vqy s ARG 9 CO 0.02 -0.38 0.63 0.42 -0.81 0.00 0.00 175.30 175.19 1vqy s ILE 10 N 2.23 4.76 0.32 4.11 -1.09 0.25 -0.23 121.20 131.56 1vqy s ILE 10 Ca 0.18 0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 59.22 1vqy s ILE 10 Cb -0.16 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1vqy s ILE 10 CO 0.10 0.09 1.38 -0.13 -1.23 0.00 0.00 174.94 175.15 1vqy s ARG 11 N -2.33 4.28 0.19 2.79 0.52 -0.69 -4.75 118.95 118.96 1vqy s ARG 11 Ca 0.44 2.31 -0.33 0.00 -0.52 0.00 0.00 55.73 57.64 1vqy s ARG 11 Cb -0.14 -3.06 -0.15 0.00 0.52 0.00 0.00 34.95 32.13 1vqy s ARG 11 CO 0.20 -0.32 1.31 0.41 0.02 0.00 0.00 175.30 176.92 1vqy n GLY 12 N 1.08 0.47 2.16 -3.53 0.00 -1.26 -1.38 105.19 102.73 1vqy n GLY 12 Ca 0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1vqy n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vqy n GLY 13 N 2.23 1.13 2.85 -0.02 0.00 -1.26 -5.18 105.19 104.94 1vqy n GLY 13 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1vqy n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vqy n LYS 14 N -2.00 3.20 0.00 1.61 4.76 -0.48 -4.80 118.16 120.45 1vqy n LYS 14 Ca 0.00 -4.57 0.00 0.00 -2.87 0.00 0.00 58.31 50.87 1vqy n LYS 14 Cb 0.00 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 1vqy n LYS 14 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1vqy n GLN 16 N 1.51 0.00 -0.04 1.97 1.13 -1.26 -0.57 117.38 120.12 1vqy n GLN 16 Ca 0.26 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1vqy n GLN 16 Cb 0.37 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.64 1vqy n GLN 16 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1vqy h GLU 17 N 0.00 0.27 -0.10 -1.09 4.81 -1.99 -1.21 114.58 115.27 1vqy h GLU 17 Ca 0.00 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1vqy h GLU 17 Cb 0.00 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1vqy h GLU 17 CO 0.00 0.72 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.75 1vqy h TYR 18 N -0.16 -0.91 -1.00 0.92 5.03 -1.24 -1.65 116.97 117.96 1vqy h TYR 18 Ca 0.01 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1vqy h TYR 18 Cb 0.69 0.42 -0.06 0.00 1.55 0.00 0.00 36.73 39.32 1vqy h TYR 18 CO 0.10 -0.41 0.65 -0.07 -1.32 0.00 0.00 178.16 177.11 1vqy h LEU 19 N -0.42 1.06 -0.28 2.82 3.38 -1.80 -2.52 115.31 117.55 1vqy h LEU 19 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1vqy h LEU 19 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1vqy h LEU 19 CO -0.34 0.69 -0.10 0.50 0.09 0.00 0.00 178.44 179.29 1vqy h LYS 20 N 1.21 0.57 -0.62 1.13 3.64 -0.89 0.15 116.57 121.76 1vqy h LYS 20 Ca 0.42 -0.23 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1vqy h LYS 20 Cb 0.10 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1vqy h LYS 20 CO -0.15 0.78 0.33 -0.07 -2.27 0.00 0.00 179.45 178.07 1vqy h LEU 21 N 0.32 0.48 0.01 5.20 3.38 -1.15 -0.78 115.31 122.77 1vqy h LEU 21 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1vqy h LEU 21 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1vqy h LEU 21 CO 0.03 0.32 -0.01 0.58 0.09 0.00 0.00 178.44 179.46 1vqy h VAL 22 N 0.62 1.41 -0.39 1.22 2.07 -1.22 -1.10 116.25 118.87 1vqy h VAL 22 Ca 0.27 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.59 1vqy h VAL 22 Cb 0.17 2.28 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 1vqy h VAL 22 CO -0.18 0.33 -0.31 -0.09 0.02 0.00 0.00 177.57 177.34 1vqy h ARG 23 N -0.57 -0.24 0.00 1.57 2.43 -0.66 -2.09 114.38 114.82 1vqy h ARG 23 Ca -0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1vqy h ARG 23 Cb 0.55 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1vqy h ARG 23 CO 0.00 -0.16 -0.79 0.93 -1.51 0.00 0.00 179.97 178.45 1vqy h GLU 24 N -0.25 0.00 0.00 0.20 5.08 -1.18 -3.44 114.58 115.00 1vqy h GLU 24 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1vqy h GLU 24 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1vqy h GLU 24 CO -0.53 0.31 -0.19 0.39 -1.00 0.00 0.00 179.01 177.99 1vqy n GLU 25 N -3.03 0.00 -0.10 2.33 1.02 -0.49 -4.96 120.64 115.40 1vqy n GLU 25 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1vqy n GLU 25 Cb 0.72 -0.17 -0.04 0.00 -0.02 0.00 0.00 31.44 31.93 1vqy n GLU 25 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1vqy h GLY 26 N 0.00 0.68 2.00 0.62 0.00 -0.92 -3.02 103.07 102.44 1vqy h GLY 26 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1vqy h GLY 26 CO 0.00 0.56 -0.38 1.19 0.00 0.00 0.00 176.54 177.90 1vqy h ILE 27 N 0.39 1.08 0.00 2.60 6.09 -1.67 0.15 117.51 126.15 1vqy h ILE 27 Ca 0.07 -1.41 -0.07 0.00 -1.37 0.00 0.00 64.86 62.08 1vqy h ILE 27 Cb 0.66 1.80 -0.01 0.00 0.47 0.00 0.00 36.82 39.74 1vqy h ILE 27 CO 0.04 0.38 -0.33 0.00 -3.07 0.00 0.00 178.15 175.17 1vqy h ALA 28 N 1.62 1.26 0.00 0.18 0.00 -1.77 -1.84 119.26 118.70 1vqy h ALA 28 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1vqy h ALA 28 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vqy h ALA 28 CO 0.05 0.42 -0.43 0.82 0.00 0.00 0.00 179.25 180.11 1vqy h ILE 29 N 0.00 0.84 0.06 0.00 2.04 -1.38 -3.42 117.51 115.66 1vqy h ILE 29 Ca -0.00 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.11 1vqy h ILE 29 Cb 0.67 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1vqy h ILE 29 CO 0.04 0.28 -0.11 -0.61 0.00 0.00 0.00 178.15 177.75 1vqy h GLN 30 N -1.00 -0.22 -0.10 2.37 4.15 -0.76 -3.34 115.11 116.21 1vqy h GLN 30 Ca -0.09 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1vqy h GLN 30 Cb 0.77 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 1vqy h GLN 30 CO -0.06 -0.15 -0.01 0.00 -1.93 0.00 0.00 178.83 176.69 1vqy h ALA 31 N 0.68 0.14 -0.74 3.38 0.00 -1.57 -1.38 119.26 119.77 1vqy h ALA 31 Ca 0.02 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1vqy h ALA 31 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1vqy h ALA 31 CO -0.07 -0.16 0.51 -1.35 0.00 0.00 0.00 179.25 178.18 1vqy h PRO 32 N -0.11 0.23 0.00 0.00 0.11 -1.79 0.75 132.00 131.18 1vqy h PRO 32 Ca 0.03 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1vqy h PRO 32 Cb 0.39 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1vqy h PRO 32 CO 0.01 0.15 -0.31 0.82 -0.21 0.00 0.00 178.00 178.46 1vqy h ILE 33 N 0.23 1.08 0.00 4.15 2.04 -1.61 -3.34 117.51 120.06 1vqy h ILE 33 Ca 0.36 -1.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.20 1vqy h ILE 33 Cb 1.09 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 1vqy h ILE 33 CO -0.08 0.36 -0.54 -0.07 0.00 0.00 0.00 178.15 177.82 1vqy h LEU 34 N -1.00 0.00 0.00 1.44 3.38 -1.16 -3.47 115.31 114.50 1vqy h LEU 34 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vqy h LEU 34 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1vqy h LEU 34 CO -0.04 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1vqy n GLY 35 N 0.09 3.21 2.52 0.83 0.00 0.26 -4.88 105.19 107.22 1vqy n GLY 35 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1vqy n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vqy n ASN 36 N 0.08 -1.64 -4.73 1.61 5.15 -1.26 -4.96 115.26 109.51 1vqy n ASN 36 Ca 0.00 -2.73 -0.42 0.00 -0.60 0.00 0.00 54.58 50.84 1vqy n ASN 36 Cb 0.00 0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 1vqy n ASN 36 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1vqy s LEU 37 N -0.01 4.40 -0.24 1.20 2.96 -1.26 0.30 118.68 126.03 1vqy s LEU 37 Ca 0.32 2.37 -0.13 0.00 -0.22 0.00 0.00 54.13 56.47 1vqy s LEU 37 Cb 0.08 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.06 1vqy s LEU 37 CO -0.15 -0.57 -0.32 -0.38 -1.32 0.00 0.00 176.35 173.61 1vqy n ILE 38 N 3.05 1.39 -3.44 6.68 2.08 -1.26 -4.89 119.36 122.97 1vqy n ILE 38 Ca 0.08 -0.30 -0.13 0.00 0.56 0.00 0.00 62.75 62.96 1vqy n ILE 38 Cb 0.43 -1.89 -0.03 0.00 -0.75 0.00 0.00 39.64 37.40 1vqy n ILE 38 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1vqy s GLY 39 N -5.39 -0.60 -0.14 7.39 0.00 -1.26 -5.06 107.32 102.25 1vqy s GLY 39 Ca -0.34 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 1vqy s GLY 39 CO 0.44 0.26 0.25 -0.47 0.00 0.00 0.00 173.10 173.58 1vqy s TYR 40 N -3.36 -0.38 0.09 1.90 6.14 -1.26 -4.39 117.35 116.08 1vqy s TYR 40 Ca -0.01 0.78 0.05 0.00 0.64 0.00 0.00 57.07 58.52 1vqy s TYR 40 Cb -0.01 -0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.21 1vqy s TYR 40 CO -0.09 -0.41 -0.12 -0.06 0.64 0.00 0.00 175.55 175.50 1vqy s PHE 41 N 2.39 1.16 -0.09 4.97 0.08 0.10 -4.99 117.98 121.61 1vqy s PHE 41 Ca 0.03 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.56 1vqy s PHE 41 Cb -0.13 -0.63 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 1vqy s PHE 41 CO -0.09 0.05 -0.23 0.08 -0.10 0.00 0.00 175.22 174.92 1vqy s VAL 42 N -1.96 2.00 0.05 -0.44 1.01 -1.26 -1.13 120.40 118.67 1vqy s VAL 42 Ca 0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1vqy s VAL 42 Cb -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1vqy s VAL 42 CO 0.01 0.55 1.09 -0.89 0.00 0.00 0.00 175.10 175.86 1vqy s THR 43 N 0.29 4.37 -0.20 3.92 2.01 -0.85 -4.94 115.64 120.23 1vqy s THR 43 Ca -0.17 1.74 0.14 0.00 0.31 0.00 0.00 61.69 63.72 1vqy s THR 43 Cb -0.17 -4.11 -0.22 0.00 0.01 0.00 0.00 72.50 68.00 1vqy s THR 43 CO 0.08 0.16 0.01 -0.67 -0.69 0.00 0.00 174.62 173.51 1vqy n ASP 44 N 3.69 0.60 -3.78 3.53 2.03 -1.26 -4.69 116.55 116.68 1vqy n ASP 44 Ca 0.07 -0.03 -0.26 0.00 0.52 0.00 0.00 54.79 55.09 1vqy n ASP 44 Cb 0.48 0.71 -0.17 0.00 -0.72 0.00 0.00 41.12 41.42 1vqy n ASP 44 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vqy s ILE 45 N -2.47 0.56 -4.27 5.18 1.01 -1.26 -5.03 121.20 114.92 1vqy s ILE 45 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1vqy s ILE 45 Cb 0.06 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1vqy s ILE 45 CO 0.75 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1vqy n GLY 46 N 5.06 0.39 3.71 6.18 0.00 -1.26 -5.04 105.19 114.23 1vqy n GLY 46 Ca -0.09 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1vqy n GLY 46 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vqy s PRO 47 N -2.00 4.20 0.57 1.61 0.02 -1.26 -5.00 135.00 133.14 1vqy s PRO 47 Ca 0.00 2.38 0.09 0.00 0.02 0.00 0.00 61.00 63.49 1vqy s PRO 47 Cb 0.00 -3.28 0.08 0.00 0.02 0.00 0.00 34.50 31.32 1vqy s PRO 47 CO 0.00 -0.66 0.74 -0.51 -0.33 0.00 0.00 177.00 176.24 1vqy s LEU 48 N 1.58 3.05 -1.66 -5.54 1.43 -1.26 -4.32 118.68 111.96 1vqy s LEU 48 Ca 0.72 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1vqy s LEU 48 Cb -0.43 -1.58 0.13 0.00 0.03 0.00 0.00 46.19 44.34 1vqy s LEU 48 CO 0.32 -1.31 0.67 -0.24 0.23 0.00 0.00 176.35 176.02 1vqy n SER 49 N -2.18 -2.45 -4.25 2.29 2.88 -1.26 -4.82 113.62 103.84 1vqy n SER 49 Ca 0.13 -1.04 -0.32 0.00 -1.33 0.00 0.00 58.87 56.31 1vqy n SER 49 Cb 0.62 -2.66 -0.16 0.00 -0.75 0.00 0.00 64.21 61.26 1vqy n SER 49 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1vqy s GLN 50 N -6.92 3.14 0.02 -1.46 0.74 -1.26 0.84 119.66 114.76 1vqy s GLN 50 Ca 0.58 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1vqy s GLN 50 Cb -0.32 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1vqy s GLN 50 CO 0.93 0.12 0.01 0.08 -0.55 0.00 0.00 175.29 175.88 1vqy s VAL 51 N 0.52 4.16 -0.04 1.34 1.01 0.10 -2.01 120.40 125.47 1vqy s VAL 51 Ca -0.13 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1vqy s VAL 51 Cb -0.17 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1vqy s VAL 51 CO 0.05 0.32 -0.00 -0.63 0.00 0.00 0.00 175.10 174.84 1vqy s ILE 52 N -1.14 0.27 0.07 2.22 1.01 -0.28 -1.39 121.20 121.95 1vqy s ILE 52 Ca 0.21 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.96 1vqy s ILE 52 Cb -0.12 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.97 1vqy s ILE 52 CO 0.12 0.20 0.03 0.00 0.00 0.00 0.00 174.94 175.29 1vqy n HIS 53 N 4.52 -0.01 0.00 3.97 1.44 -0.58 0.00 115.22 124.56 1vqy n HIS 53 Ca -0.18 -0.46 0.00 0.00 -2.01 0.00 0.00 57.72 55.07 1vqy n HIS 53 Cb 0.50 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1vqy n HIS 53 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1vqy n TRP 55 N -0.15 0.00 -3.39 -1.40 7.02 -0.41 -1.42 117.44 117.68 1vqy n TRP 55 Ca -0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.10 1vqy n TRP 55 Cb 0.10 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.93 1vqy n TRP 55 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1vqy s GLY 56 N 0.00 2.47 0.07 6.99 0.00 0.15 -0.46 107.32 116.53 1vqy s GLY 56 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1vqy s GLY 56 CO 0.00 0.45 -0.05 -0.19 0.00 0.00 0.00 173.10 173.32 1vqy s TYR 57 N -0.36 0.67 0.05 1.90 2.02 -0.11 -4.12 117.35 117.40 1vqy s TYR 57 Ca 0.25 -0.95 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1vqy s TYR 57 Cb -0.16 -0.43 -0.31 0.00 -0.40 0.00 0.00 41.96 40.65 1vqy s TYR 57 CO 0.13 -0.26 1.05 0.00 -1.57 0.00 0.00 175.55 174.90 1vqy h ALA 58 N 3.22 0.02 -2.89 3.71 0.00 -1.84 0.17 119.26 121.64 1vqy h ALA 58 Ca -0.35 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.55 1vqy h ALA 58 Cb 1.16 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1vqy h ALA 58 CO 0.63 0.89 -0.06 -1.54 0.00 0.00 0.00 179.25 179.17 1vqy s SER 59 N -7.29 0.20 0.30 0.00 1.04 -1.26 -4.47 113.70 102.21 1vqy s SER 59 Ca -0.07 -1.10 0.16 0.00 0.48 0.00 0.00 55.95 55.42 1vqy s SER 59 Cb 0.06 0.66 0.28 0.00 0.10 0.00 0.00 66.02 67.11 1vqy s SER 59 CO 0.90 -1.28 1.54 -0.07 0.98 0.00 0.00 173.24 175.31 1vqy h LEU 60 N 2.16 0.00 -0.23 2.42 3.38 -1.99 -1.58 115.31 119.46 1vqy h LEU 60 Ca -0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 1vqy h LEU 60 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1vqy h LEU 60 CO 0.36 0.50 -0.68 0.44 0.09 0.00 0.00 178.44 179.15 1vqy h ASP 61 N 0.00 0.94 -0.56 -0.43 5.19 -1.98 -1.11 116.42 118.47 1vqy h ASP 61 Ca -0.00 -0.57 0.05 0.00 -0.62 0.00 0.00 57.03 55.89 1vqy h ASP 61 Cb 1.23 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.42 1vqy h ASP 61 CO 0.06 1.36 0.29 -0.78 -3.12 0.00 0.00 179.24 177.06 1vqy h ASP 62 N 0.58 0.42 -0.39 6.45 3.58 -1.94 0.17 116.42 125.30 1vqy h ASP 62 Ca -0.02 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.50 1vqy h ASP 62 Cb 1.30 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.26 1vqy h ASP 62 CO 0.14 0.28 0.13 -0.09 -2.88 0.00 0.00 179.24 176.83 1vqy h ARG 63 N 0.55 0.28 -0.62 0.28 2.43 -1.14 -1.11 114.38 115.05 1vqy h ARG 63 Ca 0.25 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1vqy h ARG 63 Cb 0.15 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1vqy h ARG 63 CO -0.17 0.18 0.25 0.00 -1.51 0.00 0.00 179.97 178.73 1vqy h ALA 64 N 1.25 0.81 -0.26 2.80 0.00 -0.71 0.22 119.26 123.37 1vqy h ALA 64 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1vqy h ALA 64 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1vqy h ALA 64 CO -0.19 0.42 0.06 1.49 0.00 0.00 0.00 179.25 181.04 1vqy h GLU 65 N 0.87 0.16 -0.03 0.00 4.81 -0.40 -1.40 114.58 118.59 1vqy h GLU 65 Ca 0.21 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.21 1vqy h GLU 65 Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1vqy h GLU 65 CO -0.02 0.11 -0.88 0.00 -0.73 0.00 0.00 179.01 177.49 1vqy h ARG 66 N 0.17 0.43 -0.01 1.92 3.08 -0.71 -2.11 114.38 117.15 1vqy h ARG 66 Ca 0.12 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.64 1vqy h ARG 66 Cb 0.11 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1vqy h ARG 66 CO -0.14 1.08 -0.45 0.00 -1.07 0.00 0.00 179.97 179.39 1vqy h ARG 67 N 0.26 0.03 -0.18 0.04 3.08 -0.58 -1.64 114.38 115.39 1vqy h ARG 67 Ca -0.07 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1vqy h ARG 67 Cb 1.50 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1vqy h ARG 67 CO 0.15 0.48 -0.53 0.78 -1.07 0.00 0.00 179.97 179.78 1vqy h GLY 68 N 1.34 0.58 1.34 0.04 0.00 -1.06 -1.76 103.07 103.55 1vqy h GLY 68 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1vqy h GLY 68 CO 0.06 0.59 -0.04 0.50 0.00 0.00 0.00 176.54 177.65 1vqy h LYS 69 N 0.41 0.79 -0.19 4.80 6.56 -1.16 -2.31 116.57 125.48 1vqy h LYS 69 Ca 0.01 -0.23 -0.05 0.00 -1.06 0.00 0.00 60.65 59.32 1vqy h LYS 69 Cb 1.06 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1vqy h LYS 69 CO 0.10 0.83 -0.07 1.25 -2.06 0.00 0.00 179.45 179.50 1vqy h LEU 70 N 0.73 0.39 -1.63 2.94 5.85 -1.11 -1.73 115.31 120.74 1vqy h LEU 70 Ca 0.14 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1vqy h LEU 70 Cb 0.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1vqy h LEU 70 CO 0.03 0.69 0.31 0.00 -0.34 0.00 0.00 178.44 179.13 1vqy h ALA 71 N 0.71 1.84 0.00 1.25 0.00 -1.30 -1.70 119.26 120.07 1vqy h ALA 71 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vqy h ALA 71 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vqy h ALA 71 CO 0.02 0.09 -0.06 -1.91 0.00 0.00 0.00 179.25 177.40 1vqy n GLU 72 N -4.48 0.16 -2.62 0.00 2.13 -0.87 -4.70 120.64 110.26 1vqy n GLU 72 Ca 0.05 0.12 -0.42 0.00 0.66 0.00 0.00 57.16 57.57 1vqy n GLU 72 Cb 0.18 -1.67 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 1vqy n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1vqy s ASP 73 N -3.88 7.31 0.12 4.31 -1.08 -0.64 -4.96 116.67 117.85 1vqy s ASP 73 Ca 0.12 1.82 -0.15 0.00 -0.52 0.00 0.00 52.55 53.82 1vqy s ASP 73 Cb 0.15 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 1vqy s ASP 73 CO 0.58 -0.27 1.57 -0.61 0.52 0.00 0.00 175.17 176.96 1vqy h GLN 74 N 6.40 0.69 -0.73 4.34 4.15 -1.89 -0.81 115.11 127.26 1vqy h GLN 74 Ca -0.42 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 58.78 1vqy h GLN 74 Cb 1.22 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 1vqy h GLN 74 CO 0.76 0.78 0.46 0.00 -1.93 0.00 0.00 178.83 178.91 1vqy h ARG 75 N 0.52 0.98 -0.72 1.69 3.08 -1.96 -2.59 114.38 115.38 1vqy h ARG 75 Ca 0.11 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1vqy h ARG 75 Cb 0.47 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1vqy h ARG 75 CO 0.02 0.67 0.44 2.35 -1.07 0.00 0.00 179.97 182.38 1vqy h TRP 76 N 1.00 0.95 -0.55 3.04 2.91 -1.74 -1.32 115.95 120.23 1vqy h TRP 76 Ca 0.27 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 1vqy h TRP 76 Cb -0.07 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.24 1vqy h TRP 76 CO -0.02 0.64 0.28 1.96 -1.03 0.00 0.00 178.44 180.27 1vqy h GLN 77 N 0.99 0.77 0.00 2.65 4.20 -0.79 0.20 115.11 123.12 1vqy h GLN 77 Ca 0.26 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1vqy h GLN 77 Cb -0.04 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1vqy h GLN 77 CO -0.05 0.58 -0.37 0.00 -0.67 0.00 0.00 178.83 178.33 1vqy h ALA 78 N 1.54 0.85 0.12 3.87 0.00 -1.25 -3.38 119.26 121.01 1vqy h ALA 78 Ca 0.20 -0.33 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1vqy h ALA 78 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vqy h ALA 78 CO -0.03 0.46 -1.78 0.35 0.00 0.00 0.00 179.25 178.25 1vqy h PHE 79 N 0.00 0.45 -0.11 0.00 3.57 0.20 -3.41 116.94 117.63 1vqy h PHE 79 Ca -0.00 -0.33 -0.08 0.00 3.53 0.00 0.00 57.97 61.09 1vqy h PHE 79 Cb 1.09 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1vqy h PHE 79 CO 0.00 1.70 -0.29 0.97 -2.23 0.00 0.00 178.31 178.47 1vqy h ILE 80 N -0.12 1.25 0.00 1.41 6.09 -0.88 -2.62 117.51 122.65 1vqy h ILE 80 Ca -0.39 -1.18 -0.06 0.00 -1.37 0.00 0.00 64.86 61.86 1vqy h ILE 80 Cb 1.91 1.48 -0.01 0.00 0.47 0.00 0.00 36.82 40.68 1vqy h ILE 80 CO 0.06 0.35 -0.29 -0.65 -3.07 0.00 0.00 178.15 174.55 1vqy h PRO 81 N 0.19 0.00 0.00 2.19 0.11 -1.80 0.12 132.00 132.81 1vqy h PRO 81 Ca 0.03 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 1vqy h PRO 81 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1vqy h PRO 81 CO 0.04 0.29 -0.64 0.00 -0.21 0.00 0.00 178.00 177.48 1vqy h ARG 82 N 0.00 0.00 0.09 1.05 3.08 -1.72 -3.08 114.38 113.81 1vqy h ARG 82 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1vqy h ARG 82 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1vqy h ARG 82 CO 0.04 0.64 -0.63 1.25 -1.07 0.00 0.00 179.97 180.20 1vqy h LEU 83 N 0.00 0.30 -1.80 3.04 5.85 -1.33 -3.38 115.31 118.00 1vqy h LEU 83 Ca -0.01 -0.95 0.01 0.00 0.84 0.00 0.00 57.88 57.78 1vqy h LEU 83 Cb 1.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1vqy h LEU 83 CO 0.08 1.29 0.16 0.28 -0.34 0.00 0.00 178.44 179.91 1vqy h SER 84 N -0.58 0.24 0.57 1.25 0.02 -0.83 -0.99 113.55 113.23 1vqy h SER 84 Ca -0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1vqy h SER 84 Cb 1.45 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1vqy h SER 84 CO 0.09 0.17 0.00 1.62 -1.14 0.00 0.00 176.83 177.57 1vqy h VAL 85 N 0.28 0.00 -0.01 2.27 3.04 -1.71 -2.73 116.25 117.39 1vqy h VAL 85 Ca 0.09 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1vqy h VAL 85 Cb 0.02 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1vqy h VAL 85 CO -0.02 0.00 -0.27 0.18 -1.01 0.00 0.00 177.57 176.45 1vqy n LEU 86 N -2.80 1.07 -4.64 3.16 4.77 -0.38 -4.86 117.00 113.33 1vqy n LEU 86 Ca -0.00 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.31 1vqy n LEU 86 Cb 0.20 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1vqy n LEU 86 CO 0.22 0.20 -0.03 -0.63 -1.33 0.00 0.00 177.39 175.82 1vqy s ILE 87 N -2.50 5.25 -0.12 -0.08 1.01 -1.03 -1.71 121.20 122.03 1vqy s ILE 87 Ca 0.24 0.44 -0.24 0.00 0.00 0.00 0.00 60.65 61.09 1vqy s ILE 87 Cb 0.19 -3.63 -0.27 0.00 0.01 0.00 0.00 42.46 38.77 1vqy s ILE 87 CO 0.52 0.25 0.71 -0.08 0.00 0.00 0.00 174.94 176.34 1vqy h GLU 88 N 7.80 0.12 -4.11 2.79 4.81 -0.90 -3.46 114.58 121.64 1vqy h GLU 88 Ca -0.35 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.56 1vqy h GLU 88 Cb 1.17 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.48 1vqy h GLU 88 CO 0.65 1.10 -0.57 -1.12 -0.73 0.00 0.00 179.01 178.34 1vqy s SER 89 N -6.64 0.36 -0.01 1.04 0.01 -0.95 -4.98 113.70 102.53 1vqy s SER 89 Ca -0.19 -0.90 -0.17 0.00 1.31 0.00 0.00 55.95 56.00 1vqy s SER 89 Cb 0.00 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.51 1vqy s SER 89 CO 0.73 -0.65 0.36 -0.94 0.41 0.00 0.00 173.24 173.14 1vqy s SER 90 N -2.91 -0.24 0.10 2.44 1.04 -1.26 -1.03 113.70 111.84 1vqy s SER 90 Ca 0.08 0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1vqy s SER 90 Cb 0.07 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.58 1vqy s SER 90 CO -0.09 -0.49 0.46 -1.83 0.98 0.00 0.00 173.24 172.27 1vqy s GLU 91 N -1.44 1.07 0.23 4.02 -1.05 -0.71 -5.00 118.70 115.83 1vqy s GLU 91 Ca -0.12 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.19 1vqy s GLU 91 Cb -0.04 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1vqy s GLU 91 CO 0.04 -0.42 0.14 0.54 0.95 0.00 0.00 175.26 176.51 1vqy s ASN 92 N -2.49 0.65 0.10 0.83 4.22 -1.26 -1.19 114.94 115.80 1vqy s ASN 92 Ca -0.00 -1.44 -0.25 0.00 -2.14 0.00 0.00 52.86 49.03 1vqy s ASN 92 Cb 0.00 0.35 0.07 0.00 1.28 0.00 0.00 41.25 42.95 1vqy s ASN 92 CO -0.08 -0.84 0.62 0.00 -2.04 0.00 0.00 177.10 174.76 1vqy s ARG 93 N -4.04 1.21 -0.22 3.55 1.70 -0.58 -4.99 118.95 115.58 1vqy s ARG 93 Ca 0.39 -0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 55.32 1vqy s ARG 93 Cb 0.07 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.98 1vqy s ARG 93 CO 0.14 -0.49 0.05 0.42 -1.08 0.00 0.00 175.30 174.35 1vqy s ILE 94 N -3.00 4.37 -0.12 4.99 -1.09 -1.26 -1.53 121.20 123.55 1vqy s ILE 94 Ca -0.02 -0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1vqy s ILE 94 Cb -0.01 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1vqy s ILE 94 CO -0.06 0.39 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.24 1vqy s LEU 95 N 1.16 3.32 -0.32 2.97 1.43 0.64 -4.99 118.68 122.89 1vqy s LEU 95 Ca 0.04 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1vqy s LEU 95 Cb -0.14 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1vqy s LEU 95 CO 0.03 0.25 0.16 -0.76 0.23 0.00 0.00 176.35 176.26 1vqy s LEU 96 N -0.15 4.18 0.34 1.79 1.43 -1.26 -1.43 118.68 123.58 1vqy s LEU 96 Ca 0.03 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1vqy s LEU 96 Cb -0.13 -2.01 -0.12 0.00 0.03 0.00 0.00 46.19 43.96 1vqy s LEU 96 CO 0.02 -0.21 1.51 -2.65 0.23 0.00 0.00 176.35 175.25 1vqy n PRO 97 N 4.99 2.60 -1.05 1.29 -0.02 -1.26 -5.00 135.00 136.55 1vqy n PRO 97 Ca -0.14 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 1vqy n PRO 97 Cb 0.49 -2.65 0.16 0.00 -0.02 0.00 0.00 33.50 31.47 1vqy n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1vqy s THR 98 N -0.64 2.51 -1.20 3.45 -4.23 -1.26 -4.91 115.64 109.36 1vqy s THR 98 Ca 0.58 0.17 0.15 0.00 -1.18 0.00 0.00 61.69 61.41 1vqy s THR 98 Cb -0.50 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1vqy s THR 98 CO 0.57 -0.22 1.47 -0.90 -0.54 0.00 0.00 174.62 175.00 1vqy n ASP 99 N -4.07 0.00 -0.76 3.99 5.75 -1.26 -2.08 116.55 118.12 1vqy n ASP 99 Ca 0.07 0.29 0.07 0.00 -0.01 0.00 0.00 54.79 55.21 1vqy n ASP 99 Cb 0.55 -0.40 0.17 0.00 -1.03 0.00 0.00 41.12 40.41 1vqy n ASP 99 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1vqy n PHE 100 N -1.40 0.50 -2.39 2.11 -1.74 -1.26 -4.98 117.46 108.30 1vqy n PHE 100 Ca 0.05 -0.43 -0.42 0.00 -0.56 0.00 0.00 57.45 56.09 1vqy n PHE 100 Cb 0.15 -0.02 -0.03 0.00 1.52 0.00 0.00 39.48 41.11 1vqy n PHE 100 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1vqy s SER 101 N -1.02 7.00 0.21 5.98 0.15 -0.88 -4.94 113.70 120.20 1vqy s SER 101 Ca 0.27 1.93 -0.09 0.00 0.70 0.00 0.00 55.95 58.77 1vqy s SER 101 Cb 0.14 -2.56 0.27 0.00 -1.71 0.00 0.00 66.02 62.16 1vqy s SER 101 CO 0.19 -0.60 1.80 -0.65 1.20 0.00 0.00 173.24 175.18 1vqy h PRO 102 N 7.42 0.63 -5.72 5.44 0.11 -1.93 -3.36 132.00 134.58 1vqy h PRO 102 Ca -0.37 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.10 1vqy h PRO 102 Cb 1.18 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 1vqy h PRO 102 CO 0.87 0.42 0.36 -1.17 -0.21 0.00 0.00 178.00 178.27 1vqy s LEU 103 N -10.28 4.09 0.00 2.35 2.96 -1.26 -4.88 118.68 111.66 1vqy s LEU 103 Ca -0.13 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1vqy s LEU 103 Cb 0.17 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1vqy s LEU 103 CO 0.76 -0.56 0.00 -1.14 -1.32 0.00 0.00 176.35 174.09