#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g17 s VAL 5 N 0.00 0.52 0.07 2.46 1.01 -1.26 -2.01 120.40 121.19 3g17 s VAL 5 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3g17 s VAL 5 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3g17 s VAL 5 CO 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 3g17 s ALA 6 N 0.55 1.86 -0.18 5.51 0.00 -0.70 -1.75 121.76 127.05 3g17 s ALA 6 Ca -0.07 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 3g17 s ALA 6 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3g17 s ALA 6 CO 0.00 0.41 -0.08 0.42 0.00 0.00 0.00 175.76 176.51 3g17 s ILE 7 N -0.95 3.29 -0.25 0.00 1.09 0.04 -0.70 121.20 123.71 3g17 s ILE 7 Ca 0.08 -0.54 -0.10 0.00 -1.10 0.00 0.00 60.65 58.98 3g17 s ILE 7 Cb -0.09 -2.45 -0.05 0.00 -1.06 0.00 0.00 42.46 38.81 3g17 s ILE 7 CO 0.03 0.47 0.16 -0.63 -0.10 0.00 0.00 174.94 174.87 3g17 s ILE 8 N 0.98 5.27 0.00 2.92 1.01 0.25 -0.17 121.20 131.46 3g17 s ILE 8 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3g17 s ILE 8 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3g17 s ILE 8 CO -0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3g17 n GLY 9 N 4.47 1.25 2.38 6.18 0.00 -0.67 -0.09 105.19 118.71 3g17 n GLY 9 Ca -0.15 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3g17 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g17 n PRO 10 N 0.00 3.05 -0.24 1.61 -0.04 -1.26 -3.80 135.00 134.32 3g17 n PRO 10 Ca 0.00 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 3g17 n PRO 10 Cb 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3g17 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g17 n GLY 11 N 1.67 0.47 0.31 0.55 0.00 -1.26 -4.77 105.19 102.15 3g17 n GLY 11 Ca 0.54 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 3g17 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g17 h ALA 12 N -1.15 0.88 0.11 4.61 0.00 -1.88 -1.12 119.26 120.70 3g17 h ALA 12 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3g17 h ALA 12 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3g17 h ALA 12 CO 0.00 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.07 3g17 h VAL 13 N 0.99 1.08 -0.66 0.00 2.07 -1.90 -2.83 116.25 115.00 3g17 h VAL 13 Ca 0.21 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3g17 h VAL 13 Cb 0.36 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3g17 h VAL 13 CO 0.00 0.27 0.34 1.23 0.02 0.00 0.00 177.57 179.44 3g17 h GLY 14 N -0.76 0.97 0.83 2.17 0.00 -1.65 -1.29 103.07 103.35 3g17 h GLY 14 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3g17 h GLY 14 CO 0.02 0.11 0.03 -0.84 0.00 0.00 0.00 176.54 175.86 3g17 h THR 15 N 0.62 1.22 -0.49 4.70 2.02 -1.30 0.64 112.91 120.32 3g17 h THR 15 Ca 0.31 -0.72 0.10 0.00 0.77 0.00 0.00 66.41 66.87 3g17 h THR 15 Cb 0.26 1.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.93 3g17 h THR 15 CO -0.22 0.22 -0.03 0.74 0.37 0.00 0.00 175.52 176.60 3g17 h THR 16 N 0.09 0.58 -0.31 3.16 2.02 -1.30 0.13 112.91 117.29 3g17 h THR 16 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3g17 h THR 16 Cb 0.31 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3g17 h THR 16 CO 0.00 0.01 0.10 0.40 0.37 0.00 0.00 175.52 176.41 3g17 h ILE 17 N 0.08 1.20 -0.09 3.11 2.04 -0.79 -1.71 117.51 121.36 3g17 h ILE 17 Ca 0.25 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3g17 h ILE 17 Cb 0.38 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3g17 h ILE 17 CO -0.44 0.22 0.05 0.00 0.00 0.00 0.00 178.15 177.98 3g17 h ALA 18 N 0.94 0.12 0.39 1.87 0.00 -0.61 -0.63 119.26 121.32 3g17 h ALA 18 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g17 h ALA 18 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g17 h ALA 18 CO -0.00 -0.34 -0.37 -0.92 0.00 0.00 0.00 179.25 177.62 3g17 h TYR 19 N 0.04 -0.99 -0.62 0.00 3.20 -0.68 -0.20 116.97 117.72 3g17 h TYR 19 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3g17 h TYR 19 Cb 0.09 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 3g17 h TYR 19 CO -0.04 -0.52 0.32 0.93 -1.64 0.00 0.00 178.16 177.21 3g17 h GLU 20 N -0.77 0.57 -0.02 1.82 4.39 -1.28 -1.21 114.58 118.08 3g17 h GLU 20 Ca -0.03 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3g17 h GLU 20 Cb 0.68 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3g17 h GLU 20 CO -0.05 0.38 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.82 3g17 h LEU 21 N 0.59 0.04 -1.59 1.33 3.38 -1.02 -2.25 115.31 115.80 3g17 h LEU 21 Ca 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3g17 h LEU 21 Cb 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g17 h LEU 21 CO -0.20 0.33 -0.05 1.56 0.09 0.00 0.00 178.44 180.17 3g17 h GLN 22 N 0.04 0.00 0.00 1.13 4.20 0.19 0.25 115.11 120.92 3g17 h GLN 22 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3g17 h GLN 22 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3g17 h GLN 22 CO 0.04 0.05 -0.42 1.96 -0.67 0.00 0.00 178.83 179.79 3g17 h GLN 23 N 0.00 0.00 0.00 1.46 1.08 -0.97 -3.13 115.11 113.55 3g17 h GLN 23 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g17 h GLN 23 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3g17 h GLN 23 CO 0.01 0.42 -1.44 -1.13 -0.95 0.00 0.00 178.83 175.73 3g17 n SER 24 N -3.99 2.78 -3.35 1.46 3.41 -0.98 -4.83 113.62 108.11 3g17 n SER 24 Ca -0.02 -0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 3g17 n SER 24 Cb 0.45 1.44 -0.09 0.00 -0.26 0.00 0.00 64.21 65.76 3g17 n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g17 n LEU 25 N -1.84 0.17 0.22 1.04 4.77 0.85 -5.02 117.00 117.19 3g17 n LEU 25 Ca -0.02 -4.59 0.13 0.00 -0.03 0.00 0.00 56.01 51.50 3g17 n LEU 25 Cb 0.25 0.44 0.71 0.00 -2.33 0.00 0.00 43.42 42.49 3g17 n LEU 25 CO 0.20 1.94 0.93 1.55 -1.33 0.00 0.00 177.39 180.68 3g17 h PRO 26 N 4.95 0.00 0.00 3.23 0.13 -1.74 -1.19 132.00 137.38 3g17 h PRO 26 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3g17 h PRO 26 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3g17 h PRO 26 CO 0.45 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.94 3g17 n HIS 27 N -2.46 0.00 -1.67 1.56 8.25 -1.26 -4.87 115.22 114.77 3g17 n HIS 27 Ca -0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.99 3g17 n HIS 27 Cb 0.13 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3g17 n HIS 27 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3g17 n THR 28 N -1.45 0.66 -4.80 1.59 -1.04 -0.45 -4.80 114.28 103.99 3g17 n THR 28 Ca 0.08 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.05 61.60 3g17 n THR 28 Cb 0.30 -1.51 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 3g17 n THR 28 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3g17 s THR 29 N 0.24 3.08 -0.22 12.58 2.01 -0.71 -4.89 115.64 127.73 3g17 s THR 29 Ca 0.71 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 3g17 s THR 29 Cb -0.65 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 3g17 s THR 29 CO 0.46 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.85 3g17 s LEU 30 N 0.04 4.10 -0.00 4.42 2.96 -1.26 -0.78 118.68 128.16 3g17 s LEU 30 Ca -0.05 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3g17 s LEU 30 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3g17 s LEU 30 CO 0.04 0.13 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.36 3g17 s ILE 31 N 0.68 1.63 0.07 6.68 1.01 0.76 -0.40 121.20 131.63 3g17 s ILE 31 Ca 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 3g17 s ILE 31 Cb -0.12 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.98 3g17 s ILE 31 CO 0.01 0.40 0.09 0.61 0.00 0.00 0.00 174.94 176.06 3g17 n GLY 32 N 2.41 2.91 0.33 6.18 0.00 -0.13 -1.67 105.19 115.23 3g17 n GLY 32 Ca -0.16 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 3g17 n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g17 h ARG 33 N 0.00 1.12 -4.32 1.61 3.08 -1.95 -1.42 114.38 112.50 3g17 h ARG 33 Ca -0.05 -0.22 -0.22 0.00 0.07 0.00 0.00 59.98 59.55 3g17 h ARG 33 Cb 0.22 -0.17 -0.20 0.00 0.08 0.00 0.00 29.97 29.90 3g17 h ARG 33 CO 0.07 0.94 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.18 3g17 s HIS 34 N -5.43 0.51 0.41 3.04 3.76 -1.26 -3.98 115.29 112.34 3g17 s HIS 34 Ca -0.12 -0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 53.97 3g17 s HIS 34 Cb 0.15 -0.32 -0.10 0.00 1.11 0.00 0.00 32.58 33.42 3g17 s HIS 34 CO 0.84 -0.14 1.38 0.00 -0.85 0.00 0.00 174.74 175.97 3g17 n ALA 35 N 1.38 1.83 -3.78 -1.40 0.00 -1.26 -4.25 120.51 113.02 3g17 n ALA 35 Ca -0.22 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3g17 n ALA 35 Cb 0.55 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3g17 n ALA 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3g17 s LYS 36 N -2.23 0.27 -0.20 0.00 -2.85 -0.87 -4.91 119.74 108.94 3g17 s LYS 36 Ca 0.58 -0.16 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 3g17 s LYS 36 Cb -0.49 0.08 0.03 0.00 -2.06 0.00 0.00 37.83 35.40 3g17 s LYS 36 CO 0.60 -0.13 -0.17 0.99 0.10 0.00 0.00 175.35 176.74 3g17 s THR 37 N -2.15 2.08 0.15 3.79 2.01 -1.26 -0.23 115.64 120.03 3g17 s THR 37 Ca 0.22 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 3g17 s THR 37 Cb 0.03 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 3g17 s THR 37 CO -0.03 0.38 0.66 -0.63 -0.69 0.00 0.00 174.62 174.31 3g17 s ILE 38 N 1.24 4.62 -0.05 1.82 1.01 -0.07 -4.89 121.20 124.88 3g17 s ILE 38 Ca 0.01 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 3g17 s ILE 38 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3g17 s ILE 38 CO -0.11 0.39 0.52 -0.89 0.00 0.00 0.00 174.94 174.86 3g17 s THR 39 N -1.30 5.05 -0.03 2.92 2.01 -0.09 -0.71 115.64 123.48 3g17 s THR 39 Ca 0.36 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.47 3g17 s THR 39 Cb -0.19 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 3g17 s THR 39 CO 0.21 0.40 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.92 3g17 s TYR 40 N 0.04 1.51 -0.18 4.92 5.04 0.19 -0.08 117.35 128.79 3g17 s TYR 40 Ca 0.28 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.49 3g17 s TYR 40 Cb -0.17 -1.02 -0.00 0.00 0.35 0.00 0.00 41.96 41.12 3g17 s TYR 40 CO 0.14 -0.13 -0.12 0.71 -1.34 0.00 0.00 175.55 174.81 3g17 s TYR 41 N 0.01 2.85 0.32 4.97 1.51 -0.46 -1.59 117.35 124.96 3g17 s TYR 41 Ca -0.02 -1.10 0.28 0.00 -1.01 0.00 0.00 57.07 55.23 3g17 s TYR 41 Cb -0.10 -1.98 1.36 0.00 -0.11 0.00 0.00 41.96 41.14 3g17 s TYR 41 CO 0.01 -0.55 2.01 1.79 -1.11 0.00 0.00 175.55 177.71 3g17 h THR 42 N 5.72 0.45 -3.18 -0.71 1.35 -1.87 -2.10 112.91 112.57 3g17 h THR 42 Ca -0.38 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.78 3g17 h THR 42 Cb 1.17 1.46 -0.12 0.00 -1.73 0.00 0.00 68.15 68.93 3g17 h THR 42 CO 0.60 0.12 0.08 0.54 -0.25 0.00 0.00 175.52 176.61 3g17 s VAL 43 N -3.97 0.03 0.35 6.82 0.11 -1.25 -4.61 120.40 117.88 3g17 s VAL 43 Ca -0.02 -0.29 -0.28 0.00 -2.93 0.00 0.00 61.98 58.47 3g17 s VAL 43 Cb 0.12 -1.11 -0.12 0.00 -1.53 0.00 0.00 36.38 33.74 3g17 s VAL 43 CO 0.58 -0.14 1.31 -2.65 -3.33 0.00 0.00 175.10 170.87 3g17 n PRO 44 N -0.31 2.18 -0.91 1.54 -0.02 -1.24 -2.47 135.00 133.76 3g17 n PRO 44 Ca -0.16 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3g17 n PRO 44 Cb 0.64 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3g17 n PRO 44 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g17 n HIS 45 N 0.31 0.00 -0.92 6.00 8.25 -1.26 -5.00 115.22 122.60 3g17 n HIS 45 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 3g17 n HIS 45 Cb 0.37 -1.33 0.21 0.00 1.12 0.00 0.00 29.99 30.36 3g17 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g17 s ALA 46 N -1.44 0.29 0.33 -1.41 0.00 -1.03 -4.96 121.76 113.54 3g17 s ALA 46 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 3g17 s ALA 46 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 3g17 s ALA 46 CO 0.00 -3.31 1.21 -2.14 0.00 0.00 0.00 175.76 171.51 3g17 s PRO 47 N -4.77 4.39 0.23 0.00 0.02 -1.26 -4.96 135.00 128.65 3g17 s PRO 47 Ca 0.67 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 3g17 s PRO 47 Cb -0.21 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 3g17 s PRO 47 CO 0.60 -0.08 1.23 0.00 -0.33 0.00 0.00 177.00 178.42 3g17 s ALA 48 N -1.20 3.46 0.10 -1.55 0.00 -1.26 -4.71 121.76 116.60 3g17 s ALA 48 Ca 0.49 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.54 3g17 s ALA 48 Cb -0.35 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3g17 s ALA 48 CO 0.46 -0.42 -0.15 -0.65 0.00 0.00 0.00 175.76 175.00 3g17 s GLN 49 N -0.65 0.95 -0.09 0.00 -0.21 -0.62 -4.97 119.66 114.08 3g17 s GLN 49 Ca 0.52 -1.12 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 3g17 s GLN 49 Cb -0.35 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3g17 s GLN 49 CO 0.40 0.19 0.08 -0.51 -2.12 0.00 0.00 175.29 173.34 3g17 s ASP 50 N -2.12 5.85 -0.06 5.90 1.01 -1.26 0.58 116.67 126.57 3g17 s ASP 50 Ca 0.04 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.61 3g17 s ASP 50 Cb -0.07 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.10 3g17 s ASP 50 CO 0.03 0.37 -0.05 -0.51 0.21 0.00 0.00 175.17 175.22 3g17 s ILE 51 N -1.01 0.61 0.28 0.77 2.07 0.11 -4.93 121.20 119.10 3g17 s ILE 51 Ca 0.16 -0.13 -0.29 0.00 -1.41 0.00 0.00 60.65 58.98 3g17 s ILE 51 Cb -0.12 -0.64 -0.09 0.00 0.13 0.00 0.00 42.46 41.74 3g17 s ILE 51 CO 0.05 0.25 1.02 -0.69 -1.91 0.00 0.00 174.94 173.67 3g17 s VAL 52 N 1.10 3.78 -0.12 4.00 1.01 -1.26 -0.89 120.40 128.02 3g17 s VAL 52 Ca -0.08 1.72 0.02 0.00 0.00 0.00 0.00 61.98 63.64 3g17 s VAL 52 Cb -0.14 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3g17 s VAL 52 CO -0.01 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 3g17 s VAL 53 N -1.26 2.51 0.06 2.92 1.01 0.68 -4.44 120.40 121.88 3g17 s VAL 53 Ca 0.45 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 3g17 s VAL 53 Cb -0.28 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 3g17 s VAL 53 CO 0.35 0.54 0.46 -0.54 0.00 0.00 0.00 175.10 175.91 3g17 s LYS 54 N 0.42 3.93 0.52 2.72 1.02 0.47 -2.06 119.74 126.77 3g17 s LYS 54 Ca -0.14 0.42 -0.20 0.00 0.02 0.00 0.00 55.97 56.07 3g17 s LYS 54 Cb -0.17 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3g17 s LYS 54 CO 0.06 0.61 1.10 0.20 -0.92 0.00 0.00 175.35 176.40 3g17 s GLY 55 N -1.37 2.60 0.33 -3.33 0.00 -1.26 -0.96 107.32 103.33 3g17 s GLY 55 Ca 0.29 0.76 0.12 0.00 0.00 0.00 0.00 44.72 45.89 3g17 s GLY 55 CO 0.16 1.11 1.71 -0.97 0.00 0.00 0.00 173.10 175.11 3g17 h TYR 56 N 1.34 0.97 0.00 1.90 0.05 -1.38 -0.08 116.97 119.77 3g17 h TYR 56 Ca -0.50 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.31 3g17 h TYR 56 Cb 1.25 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 3g17 h TYR 56 CO 0.53 -0.01 -0.13 0.93 -1.05 0.00 0.00 178.16 178.43 3g17 h GLU 57 N 0.50 0.00 0.00 4.88 5.08 -1.88 -3.07 114.58 120.09 3g17 h GLU 57 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 3g17 h GLU 57 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3g17 h GLU 57 CO -0.50 0.02 0.00 -0.25 -1.00 0.00 0.00 179.01 177.28 3g17 n ASP 58 N -3.06 0.00 -4.64 1.42 8.00 -0.05 -4.80 116.55 113.42 3g17 n ASP 58 Ca 0.03 0.34 -0.35 0.00 0.71 0.00 0.00 54.79 55.53 3g17 n ASP 58 Cb 0.54 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 3g17 n ASP 58 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g17 s VAL 59 N -2.88 4.64 -0.32 2.53 1.01 -1.16 -4.95 120.40 119.27 3g17 s VAL 59 Ca 0.15 -0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.20 3g17 s VAL 59 Cb 0.16 -3.06 0.47 0.00 0.00 0.00 0.00 36.38 33.95 3g17 s VAL 59 CO 0.42 0.50 1.04 0.35 0.00 0.00 0.00 175.10 177.40 3g17 n THR 60 N 3.23 1.38 -3.95 3.92 -2.24 -1.26 -5.02 114.28 110.34 3g17 n THR 60 Ca -0.17 -3.35 -0.08 0.00 -2.27 0.00 0.00 64.05 58.17 3g17 n THR 60 Cb 0.53 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 3g17 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g17 s ASN 61 N -3.42 0.22 0.40 3.42 4.22 -1.26 -5.17 114.94 113.35 3g17 s ASN 61 Ca 0.32 -0.80 -0.00 0.00 -2.14 0.00 0.00 52.86 50.23 3g17 s ASN 61 Cb 0.41 0.31 -0.02 0.00 1.28 0.00 0.00 41.25 43.23 3g17 s ASN 61 CO -0.01 -0.72 0.62 0.42 -2.04 0.00 0.00 177.10 175.37 3g17 s THR 62 N -3.90 4.66 0.24 0.54 -4.23 -1.26 -4.66 115.64 107.03 3g17 s THR 62 Ca 0.08 -0.41 0.12 0.00 -1.18 0.00 0.00 61.69 60.30 3g17 s THR 62 Cb 0.06 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 3g17 s THR 62 CO -0.09 -0.50 -0.22 -0.36 -0.54 0.00 0.00 174.62 172.91 3g17 s PHE 63 N -2.45 2.27 -0.15 3.99 0.08 0.21 -4.99 117.98 116.93 3g17 s PHE 63 Ca 0.44 -0.35 0.17 0.00 0.12 0.00 0.00 56.93 57.31 3g17 s PHE 63 Cb -0.10 -1.05 -0.06 0.00 -0.57 0.00 0.00 43.02 41.24 3g17 s PHE 63 CO 0.38 0.60 1.03 -0.44 -0.10 0.00 0.00 175.22 176.69 3g17 h ASP 64 N 2.72 0.00 -3.73 1.36 3.32 -1.74 -3.38 116.42 114.97 3g17 h ASP 64 Ca -0.43 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.29 3g17 h ASP 64 Cb 1.23 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.48 3g17 h ASP 64 CO 0.54 0.47 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.09 3g17 s VAL 65 N -3.00 0.32 -0.09 -1.35 1.01 -0.85 -0.85 120.40 115.59 3g17 s VAL 65 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3g17 s VAL 65 Cb 0.08 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3g17 s VAL 65 CO 0.79 0.12 -0.10 -0.63 0.00 0.00 0.00 175.10 175.28 3g17 s ILE 66 N 0.30 1.08 -0.35 2.22 1.01 0.30 -1.73 121.20 124.03 3g17 s ILE 66 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3g17 s ILE 66 Cb -0.06 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3g17 s ILE 66 CO -0.00 0.36 0.19 -0.63 0.00 0.00 0.00 174.94 174.85 3g17 s ILE 67 N 1.19 4.59 -0.22 2.92 1.01 0.12 0.18 121.20 130.99 3g17 s ILE 67 Ca -0.05 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 3g17 s ILE 67 Cb -0.14 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3g17 s ILE 67 CO -0.03 -0.13 0.53 -0.63 0.00 0.00 0.00 174.94 174.68 3g17 s ILE 68 N 1.57 5.08 -0.39 2.92 1.01 0.49 -0.59 121.20 131.30 3g17 s ILE 68 Ca 0.03 0.96 0.12 0.00 0.00 0.00 0.00 60.65 61.76 3g17 s ILE 68 Cb -0.18 -3.85 0.40 0.00 0.01 0.00 0.00 42.46 38.84 3g17 s ILE 68 CO 0.07 0.14 0.90 0.00 0.00 0.00 0.00 174.94 176.05 3g17 n ALA 69 N 5.07 3.39 -2.14 9.38 0.00 0.87 0.03 120.51 137.11 3g17 n ALA 69 Ca -0.04 -3.64 -0.18 0.00 0.00 0.00 0.00 53.44 49.59 3g17 n ALA 69 Cb 0.50 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.11 3g17 n ALA 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3g17 s VAL 70 N -3.47 3.29 0.59 0.00 -7.23 -1.26 -4.45 120.40 107.87 3g17 s VAL 70 Ca 0.38 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.37 3g17 s VAL 70 Cb 0.39 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3g17 s VAL 70 CO -0.06 -0.05 1.29 0.29 -0.31 0.00 0.00 175.10 176.26 3g17 n LYS 71 N -1.82 1.41 -0.29 4.82 4.76 -1.26 -4.83 118.16 120.95 3g17 n LYS 71 Ca 0.06 0.53 0.10 0.00 -2.87 0.00 0.00 58.31 56.12 3g17 n LYS 71 Cb 0.59 -2.51 0.23 0.00 -1.84 0.00 0.00 35.03 31.49 3g17 n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g17 h THR 72 N 1.02 0.29 0.00 -0.18 1.03 -1.94 0.98 112.91 114.11 3g17 h THR 72 Ca -0.51 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 3g17 h THR 72 Cb 1.32 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 3g17 h THR 72 CO 0.55 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 176.09 3g17 n HIS 73 N -5.31 0.00 1.26 0.00 1.44 -1.26 -3.23 115.22 108.12 3g17 n HIS 73 Ca 0.18 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 3g17 n HIS 73 Cb 0.60 -0.31 0.33 0.00 0.12 0.00 0.00 29.99 30.73 3g17 n HIS 73 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3g17 n GLN 74 N -1.31 1.41 -0.11 -1.40 6.02 0.34 -4.56 117.38 117.76 3g17 n GLN 74 Ca 0.11 -0.95 -0.08 0.00 -0.01 0.00 0.00 57.00 56.07 3g17 n GLN 74 Cb 0.21 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.07 3g17 n GLN 74 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3g17 h LEU 75 N 2.32 0.84 -0.87 1.08 5.85 -1.58 -3.03 115.31 119.92 3g17 h LEU 75 Ca 0.00 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3g17 h LEU 75 Cb 0.61 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3g17 h LEU 75 CO 0.00 1.00 0.13 0.44 -0.34 0.00 0.00 178.44 179.67 3g17 h ASP 76 N 0.74 0.91 0.97 1.25 3.32 -1.86 -2.70 116.42 119.06 3g17 h ASP 76 Ca 0.11 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3g17 h ASP 76 Cb 0.67 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3g17 h ASP 76 CO 0.05 0.90 -0.00 0.00 -1.72 0.00 0.00 179.24 178.46 3g17 h ALA 77 N 1.22 1.00 0.03 3.45 0.00 -1.85 -2.76 119.26 120.35 3g17 h ALA 77 Ca 0.19 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 3g17 h ALA 77 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3g17 h ALA 77 CO 0.00 0.00 -1.00 0.28 0.00 0.00 0.00 179.25 178.53 3g17 h VAL 78 N 0.00 1.45 -0.35 0.00 2.07 -1.48 -3.41 116.25 114.53 3g17 h VAL 78 Ca -0.00 -2.64 0.08 0.00 0.82 0.00 0.00 66.70 64.96 3g17 h VAL 78 Cb 0.49 2.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.74 3g17 h VAL 78 CO 0.00 0.78 -0.18 0.40 0.02 0.00 0.00 177.57 178.59 3g17 h ILE 79 N 0.16 0.47 -0.07 4.57 1.08 -1.39 -0.14 117.51 122.19 3g17 h ILE 79 Ca -0.09 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 3g17 h ILE 79 Cb 1.66 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 3g17 h ILE 79 CO 0.17 0.00 0.06 1.55 -0.69 0.00 0.00 178.15 179.24 3g17 h PRO 80 N -0.12 0.00 -0.15 2.37 0.13 -1.78 0.15 132.00 132.59 3g17 h PRO 80 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 3g17 h PRO 80 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3g17 h PRO 80 CO -0.43 0.00 -0.20 0.45 -0.23 0.00 0.00 178.00 177.59 3g17 h HIS 81 N 0.00 0.28 -0.59 1.56 3.86 -1.27 -2.93 115.15 116.06 3g17 h HIS 81 Ca 0.03 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3g17 h HIS 81 Cb 0.16 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3g17 h HIS 81 CO 0.00 0.45 0.39 -0.07 0.86 0.00 0.00 177.93 179.56 3g17 h LEU 82 N 0.24 0.68 -1.96 2.43 3.38 -0.80 -1.54 115.31 117.74 3g17 h LEU 82 Ca 0.04 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.24 3g17 h LEU 82 Cb 0.49 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3g17 h LEU 82 CO 0.03 0.49 0.65 0.74 0.09 0.00 0.00 178.44 180.45 3g17 h THR 83 N 0.80 0.47 0.00 0.22 2.02 -1.53 -0.87 112.91 114.02 3g17 h THR 83 Ca 0.22 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 67.03 3g17 h THR 83 Cb -0.09 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 3g17 h THR 83 CO -0.05 0.00 -2.39 -1.22 0.37 0.00 0.00 175.52 172.23 3g17 n TYR 84 N -4.10 0.00 0.07 3.16 4.01 -0.63 -4.61 117.16 115.06 3g17 n TYR 84 Ca 0.17 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.02 3g17 n TYR 84 Cb 0.95 -0.99 -0.05 0.00 -0.31 0.00 0.00 39.34 38.95 3g17 n TYR 84 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g17 n LEU 85 N -2.82 0.65 -4.63 7.72 4.77 -0.89 -4.49 117.00 117.32 3g17 n LEU 85 Ca -0.34 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 3g17 n LEU 85 Cb 1.13 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 42.10 3g17 n LEU 85 CO 0.40 -0.11 -0.37 0.00 -1.33 0.00 0.00 177.39 175.98 3g17 s ALA 86 N -3.36 3.11 0.55 -1.18 0.00 -0.38 -0.62 121.76 119.89 3g17 s ALA 86 Ca -0.03 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.95 3g17 s ALA 86 Cb 0.10 -1.14 0.07 0.00 0.00 0.00 0.00 23.12 22.16 3g17 s ALA 86 CO 0.82 0.64 0.71 -3.38 0.00 0.00 0.00 175.76 174.55 3g17 s HIS 87 N -1.12 1.58 0.33 0.00 -3.43 -1.26 -4.80 115.29 106.59 3g17 s HIS 87 Ca 0.20 -0.71 0.07 0.00 -0.80 0.00 0.00 55.06 53.82 3g17 s HIS 87 Cb -0.11 -2.18 0.74 0.00 -1.43 0.00 0.00 32.58 29.60 3g17 s HIS 87 CO 0.11 -0.97 1.84 1.05 -2.00 0.00 0.00 174.74 174.78 3g17 h GLU 88 N 0.32 0.76 -0.01 -0.38 9.09 -1.99 -1.92 114.58 120.45 3g17 h GLU 88 Ca -0.32 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.05 3g17 h GLU 88 Cb 1.29 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3g17 h GLU 88 CO 0.44 0.50 -0.33 -0.25 0.05 0.00 0.00 179.01 179.42 3g17 n ASP 89 N -4.61 1.83 -4.51 3.06 8.00 -1.26 -4.42 116.55 114.63 3g17 n ASP 89 Ca 0.19 -1.40 -0.55 0.00 0.71 0.00 0.00 54.79 53.74 3g17 n ASP 89 Cb 0.47 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 3g17 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g17 n THR 90 N -0.02 0.33 -2.73 -3.53 -1.04 -0.72 -4.81 114.28 101.75 3g17 n THR 90 Ca 0.11 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 3g17 n THR 90 Cb 0.44 -0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.68 3g17 n THR 90 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3g17 s LEU 91 N 0.51 3.97 -0.29 -4.42 2.96 -0.03 -4.30 118.68 117.07 3g17 s LEU 91 Ca 0.85 0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 55.53 3g17 s LEU 91 Cb -1.13 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 42.13 3g17 s LEU 91 CO 0.54 -0.84 0.16 -0.63 -1.32 0.00 0.00 176.35 174.27 3g17 s ILE 92 N 3.51 4.91 -0.22 6.68 1.01 0.76 -0.54 121.20 137.30 3g17 s ILE 92 Ca 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 3g17 s ILE 92 Cb -0.12 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3g17 s ILE 92 CO 0.16 0.18 0.01 -0.63 0.00 0.00 0.00 174.94 174.66 3g17 s ILE 93 N 1.68 3.93 -0.72 2.92 1.01 0.13 -0.32 121.20 129.84 3g17 s ILE 93 Ca 0.06 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 3g17 s ILE 93 Cb -0.16 -2.80 0.07 0.00 0.01 0.00 0.00 42.46 39.58 3g17 s ILE 93 CO 0.08 0.40 1.03 -0.76 0.00 0.00 0.00 174.94 175.69 3g17 s LEU 94 N 1.29 4.34 -1.25 2.97 1.43 0.19 -0.38 118.68 127.27 3g17 s LEU 94 Ca 0.04 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 3g17 s LEU 94 Cb -0.15 -2.43 0.18 0.00 0.03 0.00 0.00 46.19 43.82 3g17 s LEU 94 CO 0.01 -1.43 1.75 0.00 0.23 0.00 0.00 176.35 176.92 3g17 n ALA 95 N 7.73 5.04 -2.31 4.21 0.00 0.10 0.17 120.51 135.45 3g17 n ALA 95 Ca 0.02 -4.34 -0.16 0.00 0.00 0.00 0.00 53.44 48.96 3g17 n ALA 95 Cb 0.46 -2.94 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 3g17 n ALA 95 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g17 s GLN 96 N 0.37 1.28 0.95 0.00 -0.21 -1.23 -4.39 119.66 116.43 3g17 s GLN 96 Ca 0.39 -1.63 -0.13 0.00 0.02 0.00 0.00 55.36 54.01 3g17 s GLN 96 Cb 0.06 -0.59 0.16 0.00 1.00 0.00 0.00 33.01 33.64 3g17 s GLN 96 CO 0.01 -0.07 1.13 -0.80 -2.12 0.00 0.00 175.29 173.44 3g17 s ASN 97 N -3.28 3.16 0.00 5.90 0.01 -1.26 -4.65 114.94 114.83 3g17 s ASN 97 Ca 0.26 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.39 3g17 s ASN 97 Cb 0.05 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.17 3g17 s ASN 97 CO 0.07 -2.77 0.00 0.61 -1.51 0.00 0.00 177.10 173.50 3g17 n GLY 98 N -1.94 -2.36 2.98 0.66 0.00 -1.26 -4.76 105.19 98.51 3g17 n GLY 98 Ca 0.07 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3g17 n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g17 s TYR 99 N -0.43 3.28 0.58 1.61 6.14 -1.25 -4.94 117.35 122.32 3g17 s TYR 99 Ca 0.00 -3.09 -0.18 0.00 0.64 0.00 0.00 57.07 54.44 3g17 s TYR 99 Cb 0.00 -2.91 -0.04 0.00 0.42 0.00 0.00 41.96 39.43 3g17 s TYR 99 CO 0.00 -0.75 1.12 0.20 0.64 0.00 0.00 175.55 176.76 3g17 s GLY 100 N -0.17 2.47 -0.86 8.97 0.00 -1.26 -4.99 107.32 111.48 3g17 s GLY 100 Ca 0.18 0.72 -0.13 0.00 0.00 0.00 0.00 44.72 45.49 3g17 s GLY 100 CO -0.02 1.07 0.80 1.20 0.00 0.00 0.00 173.10 176.15 3g17 s GLN 101 N -3.56 3.65 0.40 2.90 -0.21 -1.26 -4.92 119.66 116.67 3g17 s GLN 101 Ca 0.70 -2.58 0.26 0.00 0.02 0.00 0.00 55.36 53.76 3g17 s GLN 101 Cb -0.22 -4.42 1.42 0.00 1.00 0.00 0.00 33.01 30.79 3g17 s GLN 101 CO 0.31 -1.28 1.79 -0.07 -2.12 0.00 0.00 175.29 173.93 3g17 h LEU 102 N 7.57 0.00 -0.73 2.90 4.07 -1.94 0.21 115.31 127.39 3g17 h LEU 102 Ca 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 3g17 h LEU 102 Cb 1.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3g17 h LEU 102 CO 0.79 0.00 -0.43 -0.33 -1.08 0.00 0.00 178.44 177.38 3g17 h GLU 103 N 0.00 0.46 -0.79 1.13 4.39 -1.94 -3.05 114.58 114.77 3g17 h GLU 103 Ca 0.00 -0.24 0.20 0.00 0.34 0.00 0.00 59.36 59.66 3g17 h GLU 103 Cb 0.05 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 3g17 h GLU 103 CO 0.00 0.81 0.55 1.25 -1.16 0.00 0.00 179.01 180.45 3g17 h HIS 104 N 0.37 0.26 -3.58 4.33 2.76 -1.01 -3.40 115.15 114.89 3g17 h HIS 104 Ca 0.03 0.01 -0.62 0.00 -2.20 0.00 0.00 60.37 57.58 3g17 h HIS 104 Cb 0.91 -0.08 -0.13 0.00 1.55 0.00 0.00 27.41 29.66 3g17 h HIS 104 CO 0.03 0.08 0.01 0.42 -1.30 0.00 0.00 177.93 177.17 3g17 s ILE 105 N -5.21 5.03 0.00 6.26 1.01 -1.16 -4.98 121.20 122.16 3g17 s ILE 105 Ca -0.07 0.78 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 3g17 s ILE 105 Cb 0.21 -3.88 -0.21 0.00 0.01 0.00 0.00 42.46 38.59 3g17 s ILE 105 CO 0.77 -0.01 2.93 -0.81 0.00 0.00 0.00 174.94 177.81 3g17 n PRO 106 N 5.64 1.55 -4.11 2.79 -0.04 -1.26 -4.78 135.00 134.80 3g17 n PRO 106 Ca -0.04 -0.77 -0.08 0.00 -0.04 0.00 0.00 63.50 62.58 3g17 n PRO 106 Cb 0.49 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 3g17 n PRO 106 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3g17 s PHE 107 N 1.41 0.61 -0.09 0.54 0.08 -1.26 -5.09 117.98 114.18 3g17 s PHE 107 Ca 0.51 -1.05 0.15 0.00 0.12 0.00 0.00 56.93 56.67 3g17 s PHE 107 Cb 0.25 -0.42 -0.15 0.00 -0.57 0.00 0.00 43.02 42.13 3g17 s PHE 107 CO 0.00 -0.34 0.84 1.57 -0.10 0.00 0.00 175.22 177.19 3g17 h LYS 108 N 3.10 0.00 -3.57 0.44 2.10 -1.87 -3.41 116.57 113.36 3g17 h LYS 108 Ca -0.34 0.00 -0.76 0.00 -2.00 0.00 0.00 60.65 57.55 3g17 h LYS 108 Cb 1.15 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.17 3g17 h LYS 108 CO 0.65 0.38 0.10 -0.80 -2.00 0.00 0.00 179.45 177.79 3g17 s ASN 109 N -5.94 6.53 -0.09 7.07 0.01 -1.26 -5.02 114.94 116.24 3g17 s ASN 109 Ca -0.03 -3.30 0.01 0.00 -0.71 0.00 0.00 52.86 48.83 3g17 s ASN 109 Cb 0.08 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.68 3g17 s ASN 109 CO 0.81 -0.34 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.25 3g17 s VAL 110 N -0.76 1.20 -0.02 1.60 1.01 -1.26 -0.17 120.40 122.00 3g17 s VAL 110 Ca 0.25 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3g17 s VAL 110 Cb -0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3g17 s VAL 110 CO -0.09 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.25 3g17 s GLN 112 N -0.24 4.26 -0.17 0.00 0.74 -1.26 0.53 119.66 123.52 3g17 s GLN 112 Ca 0.04 0.47 -0.08 0.00 0.05 0.00 0.00 55.36 55.84 3g17 s GLN 112 Cb -0.07 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3g17 s GLN 112 CO -0.00 -0.03 0.08 0.00 -0.55 0.00 0.00 175.29 174.79 3g17 s ALA 113 N 1.24 3.51 -0.14 1.58 0.00 0.13 -4.43 121.76 123.65 3g17 s ALA 113 Ca 0.26 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3g17 s ALA 113 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3g17 s ALA 113 CO 0.10 0.26 0.73 0.08 0.00 0.00 0.00 175.76 176.93 3g17 s VAL 114 N 0.12 4.98 -0.20 0.00 1.01 0.31 -3.56 120.40 123.06 3g17 s VAL 114 Ca 0.06 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 3g17 s VAL 114 Cb -0.12 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3g17 s VAL 114 CO 0.00 0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.56 3g17 s VAL 115 N 1.60 4.22 -0.69 2.92 1.01 -1.26 -0.87 120.40 127.32 3g17 s VAL 115 Ca 0.36 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.16 3g17 s VAL 115 Cb -0.17 -2.91 0.18 0.00 0.00 0.00 0.00 36.38 33.48 3g17 s VAL 115 CO 0.14 0.43 0.51 -1.22 0.00 0.00 0.00 175.10 174.96 3g17 n TYR 116 N 4.05 3.15 -3.62 5.22 4.01 -0.30 -5.01 117.16 124.65 3g17 n TYR 116 Ca -0.17 -4.27 -0.22 0.00 -0.16 0.00 0.00 57.90 53.08 3g17 n TYR 116 Cb 0.52 -0.59 -0.17 0.00 -0.31 0.00 0.00 39.34 38.79 3g17 n TYR 116 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g17 s ILE 117 N -1.51 -0.15 -0.18 -0.72 1.01 -1.26 -2.75 121.20 115.65 3g17 s ILE 117 Ca 0.26 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 3g17 s ILE 117 Cb -0.02 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3g17 s ILE 117 CO -0.16 -0.09 0.05 -0.44 0.00 0.00 0.00 174.94 174.30 3g17 s SER 118 N 2.19 5.50 0.04 3.58 0.01 -0.43 -4.84 113.70 119.74 3g17 s SER 118 Ca 0.04 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 3g17 s SER 118 Cb -0.14 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.20 3g17 s SER 118 CO -0.07 0.17 0.72 0.61 0.41 0.00 0.00 173.24 175.07 3g17 n GLY 119 N 3.59 0.57 3.15 3.44 0.00 -1.26 0.54 105.19 115.23 3g17 n GLY 119 Ca -0.17 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 3g17 n GLY 119 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g17 s GLN 120 N -2.02 0.62 -0.19 1.61 -2.07 -0.09 -4.86 119.66 112.66 3g17 s GLN 120 Ca 0.17 -0.58 -0.03 0.00 -1.82 0.00 0.00 55.36 53.10 3g17 s GLN 120 Cb -0.01 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 3g17 s GLN 120 CO 0.01 -0.17 -0.07 0.21 -1.32 0.00 0.00 175.29 173.95 3g17 s LYS 121 N -2.23 3.39 -0.16 9.60 2.20 -1.26 -1.18 119.74 130.10 3g17 s LYS 121 Ca -0.08 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3g17 s LYS 121 Cb -0.03 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 3g17 s LYS 121 CO -0.02 -0.04 -0.15 0.15 -0.36 0.00 0.00 175.35 174.93 3g17 s LYS 122 N 1.03 2.38 6.73 4.03 1.02 0.46 -4.96 119.74 130.44 3g17 s LYS 122 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3g17 s LYS 122 Cb -0.15 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3g17 s LYS 122 CO -0.01 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 3g17 n GLY 123 N 4.73 3.83 1.71 -3.33 0.00 -1.26 -0.82 105.19 110.05 3g17 n GLY 123 Ca -0.17 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3g17 n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g17 n ASP 124 N 6.58 4.22 -4.07 1.61 8.00 -1.26 -4.93 116.55 126.70 3g17 n ASP 124 Ca 0.00 -3.77 -0.32 0.00 0.71 0.00 0.00 54.79 51.41 3g17 n ASP 124 Cb 0.00 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 3g17 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g17 s VAL 125 N -3.90 1.86 -0.18 2.53 1.01 0.00 -0.91 120.40 120.80 3g17 s VAL 125 Ca 0.51 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3g17 s VAL 125 Cb 0.44 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3g17 s VAL 125 CO 0.01 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.82 3g17 s VAL 126 N 1.35 3.82 -0.26 2.92 1.01 0.88 -0.41 120.40 129.72 3g17 s VAL 126 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3g17 s VAL 126 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3g17 s VAL 126 CO -0.11 0.46 -0.02 -0.89 0.00 0.00 0.00 175.10 174.53 3g17 s THR 127 N 0.79 3.17 0.06 3.92 2.01 -0.32 -1.36 115.64 123.90 3g17 s THR 127 Ca -0.01 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 3g17 s THR 127 Cb -0.14 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3g17 s THR 127 CO 0.02 0.16 1.00 -2.28 -0.69 0.00 0.00 174.62 172.82 3g17 s HIS 128 N 1.37 3.70 -0.09 4.92 2.46 -0.79 -0.92 115.29 125.94 3g17 s HIS 128 Ca 0.01 1.70 -0.07 0.00 0.47 0.00 0.00 55.06 57.17 3g17 s HIS 128 Cb -0.17 -3.13 -0.02 0.00 -0.13 0.00 0.00 32.58 29.13 3g17 s HIS 128 CO -0.03 -0.07 -0.13 1.19 -2.47 0.00 0.00 174.74 173.23 3g17 n PHE 129 N 3.39 0.40 -3.62 3.88 3.72 0.19 -3.70 117.46 121.72 3g17 n PHE 129 Ca 0.05 0.17 -0.16 0.00 -0.05 0.00 0.00 57.45 57.46 3g17 n PHE 129 Cb 0.50 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 3g17 n PHE 129 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3g17 s ARG 130 N -1.84 0.89 0.00 -1.08 1.70 -1.10 -4.80 118.95 112.71 3g17 s ARG 130 Ca -0.11 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.27 3g17 s ARG 130 Cb 0.02 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3g17 s ARG 130 CO 0.16 -0.26 0.00 -0.25 -1.08 0.00 0.00 175.30 173.87 3g17 n ASP 131 N 1.16 -0.19 -0.89 -2.89 8.00 -1.26 -1.32 116.55 119.15 3g17 n ASP 131 Ca -0.20 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.33 3g17 n ASP 131 Cb 0.57 0.91 0.03 0.00 -0.02 0.00 0.00 41.12 42.61 3g17 n ASP 131 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g17 n TYR 132 N -1.10 0.00 -3.64 1.24 4.01 -1.22 -4.29 117.16 112.16 3g17 n TYR 132 Ca 0.00 -0.35 -0.36 0.00 -0.16 0.00 0.00 57.90 57.03 3g17 n TYR 132 Cb 0.00 -0.11 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 3g17 n TYR 132 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3g17 s GLN 133 N -0.35 4.08 -0.09 -0.72 0.74 -1.11 -1.46 119.66 120.74 3g17 s GLN 133 Ca 0.18 0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.62 3g17 s GLN 133 Cb 0.20 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 3g17 s GLN 133 CO -0.07 0.38 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.38 3g17 s LEU 134 N 0.07 2.63 -0.22 3.68 1.43 -0.66 -1.15 118.68 124.45 3g17 s LEU 134 Ca 0.15 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3g17 s LEU 134 Cb -0.13 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3g17 s LEU 134 CO 0.03 0.23 0.04 -0.13 0.23 0.00 0.00 176.35 176.75 3g17 s ARG 135 N -0.07 3.65 0.04 1.70 0.52 -0.05 -0.60 118.95 124.14 3g17 s ARG 135 Ca -0.03 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3g17 s ARG 135 Cb -0.14 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 3g17 s ARG 135 CO 0.04 -0.08 -0.09 0.42 0.02 0.00 0.00 175.30 175.61 3g17 s ILE 136 N 1.28 0.64 0.27 1.52 1.01 -0.20 -0.53 121.20 125.19 3g17 s ILE 136 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 3g17 s ILE 136 Cb -0.15 -0.67 -0.11 0.00 0.01 0.00 0.00 42.46 41.54 3g17 s ILE 136 CO 0.02 -0.29 1.62 -1.58 0.00 0.00 0.00 174.94 174.72 3g17 s GLN 137 N -1.43 4.12 0.05 2.79 2.00 -1.26 -0.61 119.66 125.32 3g17 s GLN 137 Ca -0.07 2.58 -0.31 0.00 -2.00 0.00 0.00 55.36 55.57 3g17 s GLN 137 Cb -0.09 -3.03 -0.06 0.00 0.80 0.00 0.00 33.01 30.62 3g17 s GLN 137 CO 0.01 -0.66 1.33 0.34 -0.50 0.00 0.00 175.29 175.80 3g17 s ASP 138 N 0.65 6.92 0.22 6.67 -1.08 0.12 -4.68 116.67 125.49 3g17 s ASP 138 Ca 0.66 2.14 -0.19 0.00 -0.52 0.00 0.00 52.55 54.64 3g17 s ASP 138 Cb -0.48 -2.57 0.07 0.00 -1.46 0.00 0.00 42.92 38.47 3g17 s ASP 138 CO 0.44 -0.62 0.95 -0.46 0.52 0.00 0.00 175.17 176.01 3g17 n ASN 139 N 4.44 -1.79 0.11 -0.34 0.23 -1.26 -4.93 115.26 111.71 3g17 n ASN 139 Ca 0.11 -2.01 -0.13 0.00 -0.53 0.00 0.00 54.58 52.02 3g17 n ASN 139 Cb 0.44 2.93 -0.08 0.00 -2.08 0.00 0.00 39.78 40.99 3g17 n ASN 139 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3g17 h ALA 140 N 2.00 -0.19 -0.55 -2.53 0.00 -2.00 -1.93 119.26 114.06 3g17 h ALA 140 Ca -0.28 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.60 3g17 h ALA 140 Cb 1.17 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3g17 h ALA 140 CO 0.36 -0.58 0.37 -0.07 0.00 0.00 0.00 179.25 179.33 3g17 h LEU 141 N -0.24 0.57 0.00 0.00 3.38 -1.98 -2.82 115.31 114.23 3g17 h LEU 141 Ca -0.02 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3g17 h LEU 141 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3g17 h LEU 141 CO 0.03 0.40 -0.89 0.00 0.09 0.00 0.00 178.44 178.07 3g17 h THR 142 N 0.67 1.40 -0.35 0.22 1.03 -1.79 -1.78 112.91 112.30 3g17 h THR 142 Ca 0.22 -3.01 -0.11 0.00 -0.01 0.00 0.00 66.41 63.50 3g17 h THR 142 Cb 0.05 2.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 3g17 h THR 142 CO -0.06 0.80 -0.24 0.03 -0.01 0.00 0.00 175.52 176.05 3g17 h ARG 143 N 0.00 0.70 -0.59 0.00 3.08 -1.21 -1.81 114.38 114.55 3g17 h ARG 143 Ca -0.02 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3g17 h ARG 143 Cb 1.66 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.65 3g17 h ARG 143 CO 0.11 0.87 0.22 1.96 -1.07 0.00 0.00 179.97 182.06 3g17 h GLN 144 N 0.61 0.90 -0.37 0.04 4.20 -1.19 -1.29 115.11 118.01 3g17 h GLN 144 Ca 0.08 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3g17 h GLN 144 Cb 0.73 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3g17 h GLN 144 CO 0.06 0.78 0.16 0.35 -0.67 0.00 0.00 178.83 179.50 3g17 h PHE 145 N 0.83 0.56 -0.81 2.96 3.57 -1.20 0.86 116.94 123.71 3g17 h PHE 145 Ca 0.20 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3g17 h PHE 145 Cb 0.23 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3g17 h PHE 145 CO 0.01 0.50 0.48 -0.09 -2.23 0.00 0.00 178.31 176.98 3g17 h ARG 146 N 0.46 0.83 -0.13 1.11 1.12 -1.11 -2.35 114.38 114.30 3g17 h ARG 146 Ca 0.13 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.88 3g17 h ARG 146 Cb 0.17 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 3g17 h ARG 146 CO -0.01 0.55 -0.18 -0.44 -3.11 0.00 0.00 179.97 176.77 3g17 h ASP 147 N 0.85 0.39 -0.64 -3.80 3.45 -0.92 -0.42 116.42 115.33 3g17 h ASP 147 Ca 0.37 -0.52 0.18 0.00 0.43 0.00 0.00 57.03 57.49 3g17 h ASP 147 Cb 0.25 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 3g17 h ASP 147 CO -0.20 0.83 0.46 0.25 -1.57 0.00 0.00 179.24 179.01 3g17 h LEU 148 N -0.04 0.05 -1.02 1.55 5.85 -0.68 -2.57 115.31 118.46 3g17 h LEU 148 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3g17 h LEU 148 Cb 0.74 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3g17 h LEU 148 CO 0.04 0.02 -0.17 0.52 -0.34 0.00 0.00 178.44 178.51 3g17 n VAL 149 N -4.37 0.00 0.23 1.05 0.31 -0.90 -4.62 118.33 110.03 3g17 n VAL 149 Ca 0.12 -0.41 0.18 0.00 -0.01 0.00 0.00 64.34 64.22 3g17 n VAL 149 Cb 0.68 1.18 0.86 0.00 -0.91 0.00 0.00 33.84 35.65 3g17 n VAL 149 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3g17 h GLN 150 N 1.71 0.00 0.00 5.55 3.07 -0.64 -0.19 115.11 124.61 3g17 h GLN 150 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 3g17 h GLN 150 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 3g17 h GLN 150 CO 0.00 0.00 -0.12 -0.44 0.09 0.00 0.00 178.83 178.36 3g17 h ASP 151 N 0.00 0.00 -3.93 0.06 3.32 -1.82 -3.47 116.42 110.59 3g17 h ASP 151 Ca 0.08 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.67 3g17 h ASP 151 Cb 0.50 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.14 3g17 h ASP 151 CO -0.00 0.12 0.29 -0.94 -1.72 0.00 0.00 179.24 176.98 3g17 s SER 152 N -6.02 4.55 0.00 6.45 1.04 -0.08 -4.90 113.70 114.73 3g17 s SER 152 Ca 0.02 0.48 0.22 0.00 0.48 0.00 0.00 55.95 57.15 3g17 s SER 152 Cb 0.09 -1.02 1.00 0.00 0.10 0.00 0.00 66.02 66.19 3g17 s SER 152 CO 0.61 -1.80 1.69 0.00 0.98 0.00 0.00 173.24 174.73 3g17 n GLN 153 N -3.10 0.15 -2.21 4.02 6.02 -1.26 -4.80 117.38 116.20 3g17 n GLN 153 Ca 0.09 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 3g17 n GLN 153 Cb 0.60 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 3g17 n GLN 153 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g17 s ILE 154 N -2.80 3.81 -0.61 5.09 -1.09 -1.26 -4.79 121.20 119.56 3g17 s ILE 154 Ca 0.15 1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 59.50 3g17 s ILE 154 Cb 0.14 -3.70 0.14 0.00 -1.58 0.00 0.00 42.46 37.47 3g17 s ILE 154 CO 0.36 -0.05 0.59 -0.62 -1.23 0.00 0.00 174.94 173.99 3g17 s ASP 155 N 2.34 6.30 -0.29 3.58 2.15 -0.54 -4.90 116.67 125.31 3g17 s ASP 155 Ca 0.65 -1.91 -0.23 0.00 0.43 0.00 0.00 52.55 51.49 3g17 s ASP 155 Cb -0.30 -2.23 -0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3g17 s ASP 155 CO 0.25 -0.85 0.77 -0.63 -0.17 0.00 0.00 175.17 174.53 3g17 s ILE 156 N 1.52 4.83 -0.20 4.11 -1.09 -1.26 -1.65 121.20 127.46 3g17 s ILE 156 Ca 0.08 1.21 -0.04 0.00 -2.23 0.00 0.00 60.65 59.66 3g17 s ILE 156 Cb -0.25 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.50 3g17 s ILE 156 CO 0.01 -0.19 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.82 3g17 s VAL 157 N 2.87 3.77 -0.20 2.92 1.01 0.23 -5.00 120.40 126.00 3g17 s VAL 157 Ca 0.32 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3g17 s VAL 157 Cb -0.14 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3g17 s VAL 157 CO 0.11 0.43 0.12 -0.76 0.00 0.00 0.00 175.10 175.01 3g17 s LEU 158 N 1.05 4.14 -0.08 3.92 1.43 -1.26 -1.03 118.68 126.85 3g17 s LEU 158 Ca 0.02 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3g17 s LEU 158 Cb -0.14 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3g17 s LEU 158 CO 0.01 0.16 -0.01 -0.70 0.23 0.00 0.00 176.35 176.04 3g17 s GLU 159 N 0.47 2.95 0.12 1.70 2.56 0.22 -4.75 118.70 121.96 3g17 s GLU 159 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 54.97 54.43 3g17 s GLU 159 Cb -0.12 -2.76 -0.05 0.00 2.00 0.00 0.00 34.13 33.20 3g17 s GLU 159 CO -0.01 0.69 1.75 0.00 -0.56 0.00 0.00 175.26 177.14 3g17 h ALA 160 N 5.18 0.32 -3.27 6.30 0.00 -1.91 0.35 119.26 126.24 3g17 h ALA 160 Ca -0.50 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 53.82 3g17 h ALA 160 Cb 1.19 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 3g17 h ALA 160 CO 0.54 -0.18 -0.76 1.21 0.00 0.00 0.00 179.25 180.06 3g17 s ASN 161 N -5.48 3.32 0.42 0.00 3.84 -1.26 -4.72 114.94 111.06 3g17 s ASN 161 Ca -0.13 -1.08 0.15 0.00 0.21 0.00 0.00 52.86 52.00 3g17 s ASN 161 Cb 0.09 -0.72 0.91 0.00 -0.55 0.00 0.00 41.25 40.97 3g17 s ASN 161 CO 0.70 -0.33 1.92 -0.29 -2.79 0.00 0.00 177.10 176.31 3g17 h ILE 162 N 6.52 1.14 -1.04 -5.21 6.09 -1.92 -3.08 117.51 120.02 3g17 h ILE 162 Ca -0.16 -0.93 0.28 0.00 -1.37 0.00 0.00 64.86 62.68 3g17 h ILE 162 Cb 1.08 1.51 -0.07 0.00 0.47 0.00 0.00 36.82 39.81 3g17 h ILE 162 CO 0.38 0.26 0.70 -0.61 -3.07 0.00 0.00 178.15 175.82 3g17 h GLN 163 N 0.00 0.22 -0.16 2.19 4.15 -1.97 -0.13 115.11 119.41 3g17 h GLN 163 Ca -0.00 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.24 3g17 h GLN 163 Cb 0.48 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.13 3g17 h GLN 163 CO 0.03 0.14 -0.56 0.37 -1.93 0.00 0.00 178.83 176.89 3g17 h GLN 164 N 0.22 0.66 -0.57 1.69 4.15 -1.97 -1.69 115.11 117.59 3g17 h GLN 164 Ca 0.54 -0.50 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3g17 h GLN 164 Cb 1.70 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.46 3g17 h GLN 164 CO -0.16 1.12 0.12 0.00 -1.93 0.00 0.00 178.83 177.98 3g17 h ALA 165 N 0.54 0.76 -0.27 3.38 0.00 -1.25 0.83 119.26 123.25 3g17 h ALA 165 Ca -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3g17 h ALA 165 Cb 1.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3g17 h ALA 165 CO 0.12 0.48 0.08 0.82 0.00 0.00 0.00 179.25 180.76 3g17 h ILE 166 N 0.83 0.92 -0.10 0.00 2.04 -1.18 0.11 117.51 120.13 3g17 h ILE 166 Ca 0.18 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.84 3g17 h ILE 166 Cb 0.38 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3g17 h ILE 166 CO 0.01 0.04 -0.50 -0.50 0.00 0.00 0.00 178.15 177.19 3g17 h TRP 167 N 0.20 0.31 -0.29 1.37 4.06 -0.81 -0.69 115.95 120.11 3g17 h TRP 167 Ca 0.12 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 3g17 h TRP 167 Cb 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3g17 h TRP 167 CO -0.14 0.71 0.10 -0.92 -3.56 0.00 0.00 178.44 174.63 3g17 h TYR 168 N 0.20 0.45 -0.41 0.49 3.20 -0.57 -2.68 116.97 117.65 3g17 h TYR 168 Ca 0.01 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3g17 h TYR 168 Cb 0.96 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3g17 h TYR 168 CO 0.02 0.46 0.23 -0.22 -1.64 0.00 0.00 178.16 177.01 3g17 h LYS 169 N 0.31 0.58 -0.97 1.82 1.63 -0.65 0.05 116.57 119.33 3g17 h LYS 169 Ca 0.09 -0.07 0.24 0.00 -0.85 0.00 0.00 60.65 60.07 3g17 h LYS 169 Cb 0.21 -0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.60 3g17 h LYS 169 CO -0.01 0.46 0.52 -0.07 -3.45 0.00 0.00 179.45 176.91 3g17 h LEU 170 N 0.54 0.54 -0.03 5.20 3.38 -1.07 0.27 115.31 124.13 3g17 h LEU 170 Ca 0.15 0.15 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 3g17 h LEU 170 Cb 0.05 0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3g17 h LEU 170 CO -0.02 0.04 -0.86 -0.07 0.09 0.00 0.00 178.44 177.62 3g17 h LEU 171 N 0.49 0.82 -0.39 1.67 4.07 -0.99 0.18 115.31 121.16 3g17 h LEU 171 Ca 0.62 -0.72 0.04 0.00 0.08 0.00 0.00 57.88 57.91 3g17 h LEU 171 Cb 1.21 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.67 3g17 h LEU 171 CO -0.51 1.42 0.16 0.58 -1.08 0.00 0.00 178.44 179.01 3g17 h VAL 172 N 0.29 0.92 -0.32 1.22 2.07 -0.10 -1.65 116.25 118.68 3g17 h VAL 172 Ca -0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3g17 h VAL 172 Cb 1.52 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3g17 h VAL 172 CO 0.17 0.06 0.13 0.78 0.02 0.00 0.00 177.57 178.74 3g17 h ASN 173 N 0.34 0.43 -0.72 0.57 4.21 -0.45 -3.22 115.58 116.74 3g17 h ASN 173 Ca 0.17 -0.16 0.14 0.00 1.21 0.00 0.00 56.30 57.67 3g17 h ASN 173 Cb 0.13 -0.11 -0.10 0.00 -1.12 0.00 0.00 38.32 37.12 3g17 h ASN 173 CO -0.16 0.47 0.23 0.25 -1.29 0.00 0.00 177.43 176.93 3g17 h LEU 174 N 0.37 0.14 0.00 1.61 5.85 0.27 -1.85 115.31 121.70 3g17 h LEU 174 Ca 0.11 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3g17 h LEU 174 Cb 0.17 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3g17 h LEU 174 CO -0.01 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 3g17 n GLY 175 N -1.33 -1.23 0.26 3.75 0.00 -0.81 -3.26 105.19 102.58 3g17 n GLY 175 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3g17 n GLY 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g17 h ILE 176 N 0.00 1.27 -0.27 -0.61 6.09 -1.56 -2.66 117.51 119.77 3g17 h ILE 176 Ca 0.00 -1.37 -0.07 0.00 -1.37 0.00 0.00 64.86 62.05 3g17 h ILE 176 Cb 0.00 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3g17 h ILE 176 CO 0.00 0.45 -0.10 0.78 -3.07 0.00 0.00 178.15 176.21 3g17 h ASN 177 N 0.65 0.56 -0.76 2.19 4.21 -1.53 -1.24 115.58 119.65 3g17 h ASN 177 Ca 0.09 -0.39 -0.03 0.00 1.21 0.00 0.00 56.30 57.17 3g17 h ASN 177 Cb 0.76 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.77 3g17 h ASN 177 CO 0.06 0.82 0.35 0.28 -1.29 0.00 0.00 177.43 177.66 3g17 h SER 178 N 0.29 1.02 0.32 5.81 0.02 -1.53 -1.26 113.55 118.22 3g17 h SER 178 Ca 0.06 -0.13 -0.33 0.00 -0.84 0.00 0.00 61.79 60.56 3g17 h SER 178 Cb 0.60 -0.26 0.03 0.00 0.14 0.00 0.00 62.40 62.91 3g17 h SER 178 CO 0.03 0.88 -1.47 0.40 -1.14 0.00 0.00 176.83 175.53 3g17 h ILE 179 N 1.11 1.29 -0.24 3.27 2.04 -1.42 -1.69 117.51 121.87 3g17 h ILE 179 Ca 0.26 -2.75 -0.07 0.00 1.00 0.00 0.00 64.86 63.30 3g17 h ILE 179 Cb 0.14 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3g17 h ILE 179 CO -0.03 0.83 -0.14 0.71 0.00 0.00 0.00 178.15 179.52 3g17 h THR 180 N 0.14 1.30 0.55 -0.27 1.35 -1.21 0.12 112.91 114.89 3g17 h THR 180 Ca -0.25 -1.23 -0.03 0.00 -0.55 0.00 0.00 66.41 64.35 3g17 h THR 180 Cb 2.14 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 70.15 3g17 h THR 180 CO 0.26 0.38 -0.26 0.00 -0.25 0.00 0.00 175.52 175.65 3g17 h ALA 181 N 0.71 -0.73 -0.38 6.62 0.00 -1.32 0.70 119.26 124.86 3g17 h ALA 181 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3g17 h ALA 181 Cb 0.65 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3g17 h ALA 181 CO 0.04 -0.83 0.12 -0.07 0.00 0.00 0.00 179.25 178.51 3g17 h LEU 182 N -0.90 0.50 -0.69 0.00 3.38 -1.37 -1.08 115.31 115.15 3g17 h LEU 182 Ca -0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3g17 h LEU 182 Cb 0.62 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3g17 h LEU 182 CO 0.12 0.49 0.00 1.23 0.09 0.00 0.00 178.44 180.37 3g17 h GLY 183 N 0.75 0.00 -6.31 0.83 0.00 -0.67 -3.47 103.07 94.20 3g17 h GLY 183 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.97 3g17 h GLY 183 CO -0.01 0.00 -0.76 0.54 0.00 0.00 0.00 176.54 176.32 3g17 n ARG 184 N -2.43 -4.78 -4.19 4.80 3.00 0.16 -4.97 116.66 108.25 3g17 n ARG 184 Ca 0.03 0.54 -0.13 0.00 -0.01 0.00 0.00 57.85 58.27 3g17 n ARG 184 Cb 0.29 -5.38 -0.10 0.00 0.00 0.00 0.00 32.46 27.26 3g17 n ARG 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3g17 s GLN 185 N -6.64 0.88 1.00 5.56 -0.21 -0.69 -5.04 119.66 114.51 3g17 s GLN 185 Ca 0.66 -1.26 -0.17 0.00 0.02 0.00 0.00 55.36 54.62 3g17 s GLN 185 Cb -0.34 -0.45 0.25 0.00 1.00 0.00 0.00 33.01 33.47 3g17 s GLN 185 CO 0.82 0.05 0.92 0.25 -2.12 0.00 0.00 175.29 175.21 3g17 n THR 186 N 0.26 0.00 0.32 -0.19 -2.24 -1.26 -4.54 114.28 106.63 3g17 n THR 186 Ca -0.14 -0.43 0.18 0.00 -2.27 0.00 0.00 64.05 61.39 3g17 n THR 186 Cb 0.59 -1.23 0.94 0.00 -2.10 0.00 0.00 70.33 68.54 3g17 n THR 186 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3g17 h VAL 187 N -2.45 0.00 -0.05 2.28 2.07 -0.73 -1.61 116.25 115.77 3g17 h VAL 187 Ca -0.34 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3g17 h VAL 187 Cb 1.03 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3g17 h VAL 187 CO 0.22 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.99 3g17 h ALA 188 N 1.60 1.33 -0.10 1.67 0.00 -1.70 -2.42 119.26 119.64 3g17 h ALA 188 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g17 h ALA 188 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3g17 h ALA 188 CO 0.00 -0.20 0.13 0.97 0.00 0.00 0.00 179.25 180.15 3g17 h ILE 189 N 0.00 0.40 0.00 0.00 2.10 -1.62 -2.18 117.51 116.21 3g17 h ILE 189 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.96 3g17 h ILE 189 Cb 0.38 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3g17 h ILE 189 CO -0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 3g17 n MET 190 N -3.67 0.06 0.12 2.19 2.81 -0.91 -2.05 117.12 115.66 3g17 n MET 190 Ca -0.01 0.27 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 3g17 n MET 190 Cb 0.23 -1.60 0.47 0.00 -0.71 0.00 0.00 33.22 31.61 3g17 n MET 190 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3g17 n HIS 191 N -1.70 0.78 -2.20 2.03 8.25 -0.82 -4.48 115.22 117.08 3g17 n HIS 191 Ca 0.03 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.36 3g17 n HIS 191 Cb 0.20 -0.97 -0.03 0.00 1.12 0.00 0.00 29.99 30.32 3g17 n HIS 191 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3g17 s ASN 192 N -4.22 6.85 0.24 0.41 0.01 -0.87 -4.93 114.94 112.43 3g17 s ASN 192 Ca 0.06 2.27 -0.07 0.00 -0.71 0.00 0.00 52.86 54.41 3g17 s ASN 192 Cb 0.10 -2.58 0.23 0.00 0.41 0.00 0.00 41.25 39.41 3g17 s ASN 192 CO 0.43 -0.64 1.90 -0.65 -1.51 0.00 0.00 177.10 176.63 3g17 h PRO 193 N 6.94 1.27 -0.04 -0.60 0.11 -1.91 -1.49 132.00 136.28 3g17 h PRO 193 Ca -0.42 -0.10 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3g17 h PRO 193 Cb 1.21 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3g17 h PRO 193 CO 0.86 0.87 -0.52 0.93 -0.21 0.00 0.00 178.00 179.93 3g17 h GLU 194 N 1.30 0.10 -0.28 1.05 3.07 -1.96 -2.64 114.58 115.22 3g17 h GLU 194 Ca 0.34 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.99 3g17 h GLU 194 Cb -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3g17 h GLU 194 CO -0.07 0.60 -0.46 0.82 -1.40 0.00 0.00 179.01 178.51 3g17 h ILE 195 N 0.08 1.29 -0.30 3.13 1.08 -1.76 -2.06 117.51 118.97 3g17 h ILE 195 Ca -0.00 -1.65 0.02 0.00 -0.39 0.00 0.00 64.86 62.85 3g17 h ILE 195 Cb 0.95 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 3g17 h ILE 195 CO 0.07 0.53 0.14 0.03 -0.69 0.00 0.00 178.15 178.23 3g17 h ARG 196 N 0.58 0.28 0.18 2.37 3.08 -0.98 0.71 114.38 120.61 3g17 h ARG 196 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3g17 h ARG 196 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3g17 h ARG 196 CO 0.10 0.19 -0.15 0.82 -1.07 0.00 0.00 179.97 179.85 3g17 h ILE 197 N 0.29 0.66 -0.69 2.04 2.04 -1.49 -1.94 117.51 118.42 3g17 h ILE 197 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.12 3g17 h ILE 197 Cb 0.06 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 36.70 3g17 h ILE 197 CO -0.10 0.00 0.20 0.25 0.00 0.00 0.00 178.15 178.51 3g17 h LEU 198 N -0.35 0.11 -0.67 1.44 5.85 -1.24 -0.09 115.31 120.35 3g17 h LEU 198 Ca -0.00 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3g17 h LEU 198 Cb 0.32 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3g17 h LEU 198 CO -0.02 0.03 0.24 0.00 -0.34 0.00 0.00 178.44 178.35 3g17 h ARG 200 N 0.96 0.25 -0.86 0.00 3.08 -0.81 -0.92 114.38 116.07 3g17 h ARG 200 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3g17 h ARG 200 Cb 0.25 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3g17 h ARG 200 CO -0.01 0.26 0.52 1.96 -1.07 0.00 0.00 179.97 181.63 3g17 h GLN 201 N 0.17 1.17 -0.22 0.04 1.08 -0.52 -0.06 115.11 116.78 3g17 h GLN 201 Ca 0.06 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3g17 h GLN 201 Cb 0.09 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3g17 h GLN 201 CO -0.01 0.82 -0.01 1.25 -0.95 0.00 0.00 178.83 179.94 3g17 h LEU 202 N 1.18 0.39 -1.53 1.46 5.85 -0.80 -0.60 115.31 121.26 3g17 h LEU 202 Ca 0.31 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3g17 h LEU 202 Cb -0.05 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3g17 h LEU 202 CO -0.06 0.61 0.42 -0.07 -0.34 0.00 0.00 178.44 179.01 3g17 h LEU 203 N 0.15 0.49 -0.28 2.25 3.38 -0.87 -1.34 115.31 119.10 3g17 h LEU 203 Ca 0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3g17 h LEU 203 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3g17 h LEU 203 CO 0.01 0.31 -0.13 -0.07 0.09 0.00 0.00 178.44 178.65 3g17 h LEU 204 N 0.56 0.60 -0.66 1.67 3.38 -0.27 0.16 115.31 120.75 3g17 h LEU 204 Ca 0.29 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.97 3g17 h LEU 204 Cb 0.40 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3g17 h LEU 204 CO -0.09 0.87 0.21 0.44 0.09 0.00 0.00 178.44 179.97 3g17 h ASP 205 N 0.32 0.15 -0.65 -0.43 3.32 -0.78 0.21 116.42 118.56 3g17 h ASP 205 Ca 0.06 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.26 3g17 h ASP 205 Cb 0.65 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 3g17 h ASP 205 CO 0.04 0.07 0.38 1.23 -1.72 0.00 0.00 179.24 179.24 3g17 h GLY 206 N 0.36 0.94 0.97 2.75 0.00 -0.59 -1.41 103.07 106.09 3g17 h GLY 206 Ca 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3g17 h GLY 206 CO -0.38 0.19 0.25 0.00 0.00 0.00 0.00 176.54 176.60 3g17 h ARG 208 N 0.64 0.82 -0.17 0.00 2.43 -0.21 0.15 114.38 118.04 3g17 h ARG 208 Ca 0.17 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3g17 h ARG 208 Cb 0.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3g17 h ARG 208 CO -0.02 0.54 -0.33 0.28 -1.51 0.00 0.00 179.97 178.93 3g17 h VAL 209 N 0.85 1.35 -0.43 0.20 2.07 -0.87 -2.87 116.25 116.54 3g17 h VAL 209 Ca 0.36 -1.57 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3g17 h VAL 209 Cb 0.30 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3g17 h VAL 209 CO -0.13 0.48 0.15 0.00 0.02 0.00 0.00 177.57 178.09 3g17 h ALA 210 N 0.58 0.51 -0.11 1.67 0.00 -0.30 -2.07 119.26 119.54 3g17 h ALA 210 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3g17 h ALA 210 Cb 0.92 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3g17 h ALA 210 CO 0.07 -0.24 -0.30 1.96 0.00 0.00 0.00 179.25 180.75 3g17 h GLN 211 N 0.32 -0.37 -0.42 0.00 4.20 -0.78 -0.53 115.11 117.53 3g17 h GLN 211 Ca 0.20 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.06 3g17 h GLN 211 Cb 0.18 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3g17 h GLN 211 CO -0.20 -0.25 0.39 0.00 -0.67 0.00 0.00 178.83 178.11 3g17 h ALA 212 N 0.46 2.20 -0.17 3.87 0.00 -1.26 0.17 119.26 124.52 3g17 h ALA 212 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g17 h ALA 212 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3g17 h ALA 212 CO -0.33 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 178.70 3g17 n GLU 213 N -3.93 1.69 -0.04 0.00 -0.58 -0.28 -4.92 120.64 112.59 3g17 n GLU 213 Ca 0.07 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 3g17 n GLU 213 Cb 0.58 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 3g17 n GLU 213 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g17 n GLY 214 N 1.10 0.98 3.83 0.62 0.00 0.60 -5.07 105.19 107.25 3g17 n GLY 214 Ca 0.15 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3g17 n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g17 s LEU 215 N 0.00 4.28 -1.12 0.99 1.43 -0.75 -4.99 118.68 118.51 3g17 s LEU 215 Ca 0.00 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 3g17 s LEU 215 Cb 0.00 -2.05 0.17 0.00 0.03 0.00 0.00 46.19 44.34 3g17 s LEU 215 CO 0.00 0.37 1.32 0.20 0.23 0.00 0.00 176.35 178.47 3g17 s ASN 216 N -0.78 6.97 0.03 2.29 0.01 -1.26 -3.64 114.94 118.56 3g17 s ASN 216 Ca 0.13 -2.80 0.08 0.00 -0.71 0.00 0.00 52.86 49.57 3g17 s ASN 216 Cb -0.12 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 3g17 s ASN 216 CO 0.03 -0.79 -0.23 -0.36 -1.51 0.00 0.00 177.10 174.24 3g17 s PHE 217 N 1.62 2.42 0.31 2.20 0.40 -1.26 -5.04 117.98 118.62 3g17 s PHE 217 Ca 0.39 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.42 3g17 s PHE 217 Cb -0.04 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3g17 s PHE 217 CO -0.03 0.14 0.29 -1.13 0.70 0.00 0.00 175.22 175.19 3g17 n SER 218 N 1.84 -0.74 -0.37 1.36 3.41 -1.26 -4.86 113.62 113.00 3g17 n SER 218 Ca -0.17 -2.98 0.29 0.00 -0.26 0.00 0.00 58.87 55.76 3g17 n SER 218 Cb 0.52 1.65 0.58 0.00 -0.26 0.00 0.00 64.21 66.70 3g17 n SER 218 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g17 h GLU 219 N 0.00 0.24 0.00 4.33 4.81 -2.00 0.36 114.58 122.33 3g17 h GLU 219 Ca -0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3g17 h GLU 219 Cb 1.10 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3g17 h GLU 219 CO 0.32 0.16 -0.05 1.96 -0.73 0.00 0.00 179.01 180.67 3g17 h GLN 220 N 0.25 0.00 -0.23 1.92 7.50 -2.00 -1.66 115.11 120.90 3g17 h GLN 220 Ca 0.68 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.71 3g17 h GLN 220 Cb 1.97 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.49 3g17 h GLN 220 CO -0.33 0.05 -0.37 1.15 -1.50 0.00 0.00 178.83 177.83 3g17 h THR 221 N 0.00 1.29 -0.43 -0.54 2.02 -1.30 -2.72 112.91 111.23 3g17 h THR 221 Ca -0.00 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 3g17 h THR 221 Cb 0.77 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3g17 h THR 221 CO 0.01 0.47 0.09 0.58 0.37 0.00 0.00 175.52 177.03 3g17 h VAL 222 N 0.43 1.24 -0.49 3.16 2.07 -1.17 -1.99 116.25 119.50 3g17 h VAL 222 Ca 0.04 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3g17 h VAL 222 Cb 0.84 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 3g17 h VAL 222 CO 0.07 0.29 0.17 0.44 0.02 0.00 0.00 177.57 178.56 3g17 h ASP 223 N 0.56 0.17 -0.52 0.57 3.32 -1.29 0.15 116.42 119.37 3g17 h ASP 223 Ca 0.13 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3g17 h ASP 223 Cb 0.34 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3g17 h ASP 223 CO 0.00 0.13 0.03 0.71 -1.72 0.00 0.00 179.24 178.39 3g17 h THR 224 N 0.35 1.26 0.02 0.35 1.35 -1.26 -0.40 112.91 114.56 3g17 h THR 224 Ca 0.23 -1.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3g17 h THR 224 Cb 0.24 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3g17 h THR 224 CO -0.24 0.38 -0.01 0.40 -0.25 0.00 0.00 175.52 175.81 3g17 h ILE 225 N 0.88 1.03 -0.86 6.82 2.04 -0.75 -2.03 117.51 124.65 3g17 h ILE 225 Ca 0.17 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3g17 h ILE 225 Cb 0.48 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 3g17 h ILE 225 CO 0.02 0.04 0.52 0.24 0.00 0.00 0.00 178.15 178.96 3g17 h MET 226 N -0.08 0.87 0.00 2.37 2.86 -0.42 -1.86 114.93 118.67 3g17 h MET 226 Ca -0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3g17 h MET 226 Cb 0.08 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3g17 h MET 226 CO 0.00 0.58 -0.28 0.00 1.06 0.00 0.00 176.91 178.27 3g17 h THR 227 N 0.90 0.79 -0.54 2.22 1.03 -0.94 -2.14 112.91 114.22 3g17 h THR 227 Ca 0.39 -1.14 -0.05 0.00 -0.01 0.00 0.00 66.41 65.60 3g17 h THR 227 Cb 0.28 1.70 -0.02 0.00 -1.07 0.00 0.00 68.15 69.04 3g17 h THR 227 CO -0.21 0.27 0.14 0.40 -0.01 0.00 0.00 175.52 176.10 3g17 h ILE 228 N 0.00 1.22 -0.56 0.00 2.04 -0.59 -3.12 117.51 116.50 3g17 h ILE 228 Ca -0.00 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 3g17 h ILE 228 Cb 0.68 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3g17 h ILE 228 CO 0.04 0.30 0.06 1.88 0.00 0.00 0.00 178.15 180.43 3g17 h TYR 229 N 0.80 0.98 0.00 1.37 0.99 -0.95 -2.79 116.97 117.37 3g17 h TYR 229 Ca 0.18 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3g17 h TYR 229 Cb 0.29 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.74 3g17 h TYR 229 CO 0.02 0.85 0.00 1.96 -0.00 0.00 0.00 178.16 180.99 3g17 h GLN 230 N 0.87 0.00 -0.01 4.88 4.20 -1.41 -0.90 115.11 122.74 3g17 h GLN 230 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3g17 h GLN 230 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3g17 h GLN 230 CO 0.01 0.00 -0.04 0.41 -0.67 0.00 0.00 178.83 178.54 3g17 n GLY 231 N -0.88 -0.70 3.69 3.46 0.00 -1.05 -4.81 105.19 104.90 3g17 n GLY 231 Ca -0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3g17 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g17 s TYR 232 N -2.19 3.51 0.59 1.61 2.02 -0.34 -5.05 117.35 117.50 3g17 s TYR 232 Ca 0.38 1.33 -0.19 0.00 -0.37 0.00 0.00 57.07 58.22 3g17 s TYR 232 Cb 0.21 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 3g17 s TYR 232 CO 0.40 -0.10 1.22 -2.14 -1.57 0.00 0.00 175.55 173.35 3g17 s PRO 233 N 1.55 2.98 0.41 -1.71 0.02 -1.26 -4.90 135.00 132.10 3g17 s PRO 233 Ca 0.40 1.85 0.17 0.00 0.02 0.00 0.00 61.00 63.45 3g17 s PRO 233 Cb -0.18 -1.95 1.07 0.00 0.02 0.00 0.00 34.50 33.47 3g17 s PRO 233 CO 0.17 -1.20 1.84 -0.44 -0.33 0.00 0.00 177.00 177.04 3g17 h ASP 234 N 0.93 0.42 0.85 2.53 3.45 -1.97 -1.15 116.42 121.48 3g17 h ASP 234 Ca -0.50 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.00 3g17 h ASP 234 Cb 1.30 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3g17 h ASP 234 CO 0.55 0.16 -0.04 -0.62 -1.57 0.00 0.00 179.24 177.73 3g17 n GLU 235 N -4.53 0.12 -2.40 3.56 4.71 -1.26 -2.25 120.64 118.59 3g17 n GLU 235 Ca 0.20 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.92 3g17 n GLU 235 Cb 0.71 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.61 3g17 n GLU 235 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 3g17 s MET 236 N -2.88 4.44 0.44 3.49 1.75 -0.44 -4.84 119.30 121.26 3g17 s MET 236 Ca 0.18 1.80 0.05 0.00 -1.25 0.00 0.00 55.69 56.46 3g17 s MET 236 Cb 0.19 -3.33 0.08 0.00 2.84 0.00 0.00 34.83 34.61 3g17 s MET 236 CO 0.52 -0.24 0.60 0.41 -0.65 0.00 0.00 175.02 175.67 3g17 n GLY 237 N 3.09 1.56 3.43 2.11 0.00 -1.26 -0.33 105.19 113.79 3g17 n GLY 237 Ca 0.08 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 3g17 n GLY 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g17 s THR 238 N -1.69 1.62 0.22 2.61 -4.23 -1.26 -4.91 115.64 108.00 3g17 s THR 238 Ca 0.44 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 3g17 s THR 238 Cb -0.03 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.50 3g17 s THR 238 CO 0.28 -0.27 1.84 0.77 -0.54 0.00 0.00 174.62 176.70 3g17 h SER 239 N 2.26 0.74 0.34 3.99 4.64 -1.97 -0.17 113.55 123.38 3g17 h SER 239 Ca -0.40 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 3g17 h SER 239 Cb 1.23 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3g17 h SER 239 CO 0.68 0.49 -0.68 -0.03 -0.87 0.00 0.00 176.83 176.41 3g17 h MET 240 N 0.87 0.30 -0.46 4.77 1.85 -1.97 -1.47 114.93 118.83 3g17 h MET 240 Ca 0.33 -0.24 -0.00 0.00 -0.61 0.00 0.00 59.70 59.17 3g17 h MET 240 Cb 0.12 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 3g17 h MET 240 CO -0.15 0.87 0.28 -0.92 -0.40 0.00 0.00 176.91 176.59 3g17 h TYR 241 N 0.21 0.61 -0.14 1.39 3.20 -1.61 -1.73 116.97 118.90 3g17 h TYR 241 Ca -0.02 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3g17 h TYR 241 Cb 1.23 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3g17 h TYR 241 CO 0.03 0.43 0.03 1.88 -1.64 0.00 0.00 178.16 178.89 3g17 h TYR 242 N 0.61 0.25 -0.40 -3.82 0.05 -0.75 -1.92 116.97 110.99 3g17 h TYR 242 Ca 0.17 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.00 3g17 h TYR 242 Cb 0.00 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 37.59 3g17 h TYR 242 CO -0.03 0.40 -0.18 -0.44 -1.05 0.00 0.00 178.16 176.86 3g17 h ASP 243 N 0.02 -0.62 -0.54 3.88 3.32 -1.24 -1.90 116.42 119.34 3g17 h ASP 243 Ca 0.04 0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3g17 h ASP 243 Cb 0.29 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3g17 h ASP 243 CO 0.00 -0.21 0.08 -0.29 -1.72 0.00 0.00 179.24 177.09 3g17 h ILE 244 N -0.10 1.25 -0.38 0.35 2.10 -1.21 0.42 117.51 119.94 3g17 h ILE 244 Ca 0.20 -0.99 -0.11 0.00 1.08 0.00 0.00 64.86 65.04 3g17 h ILE 244 Cb 0.41 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3g17 h ILE 244 CO -0.47 0.36 -0.20 0.58 -1.08 0.00 0.00 178.15 177.34 3g17 h VAL 245 N 0.90 1.27 -0.35 2.19 2.07 -1.03 -2.44 116.25 118.85 3g17 h VAL 245 Ca 0.18 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3g17 h VAL 245 Cb 0.42 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3g17 h VAL 245 CO 0.01 0.43 0.00 1.41 0.02 0.00 0.00 177.57 179.44 3g17 n HIS 246 N -4.12 0.82 -2.96 1.57 8.25 -0.74 -4.92 115.22 113.11 3g17 n HIS 246 Ca 0.00 -0.33 -0.21 0.00 -0.26 0.00 0.00 57.72 56.93 3g17 n HIS 246 Cb 0.42 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.38 3g17 n HIS 246 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g17 n GLN 247 N 0.50 -3.61 -2.48 -0.41 6.02 -0.89 -4.98 117.38 111.53 3g17 n GLN 247 Ca 0.14 0.73 -0.24 0.00 -0.01 0.00 0.00 57.00 57.62 3g17 n GLN 247 Cb 0.55 -5.48 0.04 0.00 1.02 0.00 0.00 30.24 26.37 3g17 n GLN 247 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3g17 s GLN 248 N -5.61 2.62 0.57 -1.09 -1.52 0.09 -5.02 119.66 109.70 3g17 s GLN 248 Ca 0.25 -0.34 -0.20 0.00 -1.95 0.00 0.00 55.36 53.12 3g17 s GLN 248 Cb -0.12 -2.33 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 3g17 s GLN 248 CO 0.31 -0.81 1.25 -2.14 -0.25 0.00 0.00 175.29 173.64 3g17 s PRO 249 N -4.95 3.07 0.35 2.91 0.02 -1.26 -4.58 135.00 130.57 3g17 s PRO 249 Ca 0.56 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.58 3g17 s PRO 249 Cb -0.10 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3g17 s PRO 249 CO 0.42 -1.16 0.50 -0.51 -0.33 0.00 0.00 177.00 175.93 3g17 s LEU 250 N -3.82 3.92 -0.01 -5.54 1.43 -1.26 -4.88 118.68 108.51 3g17 s LEU 250 Ca 0.75 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 3g17 s LEU 250 Cb -0.33 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.12 3g17 s LEU 250 CO 0.38 -0.48 0.72 -0.62 0.23 0.00 0.00 176.35 176.58 3g17 n GLU 251 N -1.72 1.24 -0.19 1.70 1.02 -1.26 -4.56 120.64 116.87 3g17 n GLU 251 Ca 0.00 -0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3g17 n GLU 251 Cb 0.58 -1.41 0.44 0.00 -0.02 0.00 0.00 31.44 31.03 3g17 n GLU 251 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3g17 h VAL 252 N 0.30 0.85 -0.00 2.62 3.04 -1.94 -2.52 116.25 118.60 3g17 h VAL 252 Ca 0.00 -0.19 -0.15 0.00 -1.01 0.00 0.00 66.70 65.35 3g17 h VAL 252 Cb 0.46 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 3g17 h VAL 252 CO 0.03 0.10 -0.72 -0.33 -1.01 0.00 0.00 177.57 175.64 3g17 h GLU 253 N 0.56 0.01 0.00 4.17 4.39 -1.96 0.10 114.58 121.85 3g17 h GLU 253 Ca 0.38 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3g17 h GLU 253 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3g17 h GLU 253 CO -0.14 0.73 -0.14 0.00 -1.16 0.00 0.00 179.01 178.30 3g17 n ALA 254 N -2.41 2.44 -2.00 3.43 0.00 -0.96 -1.95 120.51 119.07 3g17 n ALA 254 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3g17 n ALA 254 Cb 0.70 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3g17 n ALA 254 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3g17 n ILE 255 N -2.15 0.00 -0.26 0.00 5.41 -0.87 -3.86 119.36 117.62 3g17 n ILE 255 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.86 3g17 n ILE 255 Cb 0.42 -0.13 0.19 0.00 -0.71 0.00 0.00 39.64 39.42 3g17 n ILE 255 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3g17 h GLN 256 N 0.00 0.43 -0.84 0.38 7.50 -1.75 -1.71 115.11 119.12 3g17 h GLN 256 Ca 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 3g17 h GLN 256 Cb 0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 3g17 h GLN 256 CO 0.00 0.29 0.50 0.78 -1.50 0.00 0.00 178.83 178.89 3g17 h GLY 257 N 0.45 1.23 0.84 3.46 0.00 -0.94 0.60 103.07 108.70 3g17 h GLY 257 Ca 0.42 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3g17 h GLY 257 CO -0.41 0.51 0.01 -2.75 0.00 0.00 0.00 176.54 173.90 3g17 h PHE 258 N 1.16 0.05 -0.84 5.60 3.57 -0.78 -0.57 116.94 125.13 3g17 h PHE 258 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3g17 h PHE 258 Cb -0.03 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3g17 h PHE 258 CO -0.00 0.20 0.50 0.82 -2.23 0.00 0.00 178.31 177.60 3g17 h ILE 259 N -0.12 1.24 -0.90 1.41 2.04 -1.16 -1.66 117.51 118.35 3g17 h ILE 259 Ca 0.01 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3g17 h ILE 259 Cb 0.18 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 3g17 h ILE 259 CO -0.00 0.25 0.59 0.22 0.00 0.00 0.00 178.15 179.21 3g17 h TYR 260 N 1.15 1.15 0.05 1.37 5.03 -0.65 0.29 116.97 125.36 3g17 h TYR 260 Ca 0.30 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.36 3g17 h TYR 260 Cb -0.03 -0.39 0.02 0.00 1.55 0.00 0.00 36.73 37.88 3g17 h TYR 260 CO -0.00 0.73 -1.10 0.00 -1.32 0.00 0.00 178.16 176.47 3g17 h ARG 261 N 1.23 0.55 -0.33 1.82 3.08 -0.57 -1.99 114.38 118.17 3g17 h ARG 261 Ca 0.33 -0.66 0.06 0.00 0.07 0.00 0.00 59.98 59.77 3g17 h ARG 261 Cb -0.12 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3g17 h ARG 261 CO -0.07 1.27 0.02 0.00 -1.07 0.00 0.00 179.97 180.12 3g17 h ARG 262 N 0.28 0.11 -0.46 0.04 -0.00 -1.10 -0.03 114.38 113.22 3g17 h ARG 262 Ca -0.13 -0.01 0.08 0.00 -0.50 0.00 0.00 59.98 59.42 3g17 h ARG 262 Cb 1.76 -0.03 -0.07 0.00 0.00 0.00 0.00 29.97 31.64 3g17 h ARG 262 CO 0.20 0.07 0.08 0.00 0.00 0.00 0.00 179.97 180.32 3g17 h ALA 263 N 1.28 0.50 -0.16 0.04 0.00 -0.71 -0.86 119.26 119.35 3g17 h ALA 263 Ca 0.16 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3g17 h ALA 263 Cb 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3g17 h ALA 263 CO -0.25 -0.33 -0.32 0.00 0.00 0.00 0.00 179.25 178.35 3g17 h ARG 264 N 0.21 0.31 0.00 0.00 2.47 -1.15 -1.30 114.38 114.91 3g17 h ARG 264 Ca 0.23 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 3g17 h ARG 264 Cb 0.30 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3g17 h ARG 264 CO -0.31 0.60 -0.12 1.49 0.56 0.00 0.00 179.97 182.18 3g17 h GLU 265 N 0.27 0.00 -0.67 0.04 4.81 0.40 -2.18 114.58 117.25 3g17 h GLU 265 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3g17 h GLU 265 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3g17 h GLU 265 CO 0.05 0.12 0.00 0.72 -0.73 0.00 0.00 179.01 179.17 3g17 n HIS 266 N -4.24 0.96 -4.05 0.92 8.25 -0.82 -4.98 115.22 111.24 3g17 n HIS 266 Ca -0.03 -0.51 -0.28 0.00 -0.26 0.00 0.00 57.72 56.65 3g17 n HIS 266 Cb 0.20 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 3g17 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g17 n ASN 267 N 1.43 -0.35 -4.90 0.41 4.13 -0.82 -4.97 115.26 110.19 3g17 n ASN 267 Ca 0.23 -1.06 -0.28 0.00 1.68 0.00 0.00 54.58 55.14 3g17 n ASN 267 Cb 0.62 -2.73 -0.01 0.00 -1.54 0.00 0.00 39.78 36.12 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3g17 s LEU 268 N -7.08 3.68 -0.42 3.41 1.43 -0.52 -5.04 118.68 114.14 3g17 s LEU 268 Ca 0.08 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 3g17 s LEU 268 Cb -0.04 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.28 3g17 s LEU 268 CO 0.91 -0.53 0.47 -0.62 0.23 0.00 0.00 176.35 176.82 3g17 s ASP 269 N -3.84 6.22 -0.43 2.29 2.15 -1.26 -4.83 116.67 116.96 3g17 s ASP 269 Ca 0.48 -0.59 0.07 0.00 0.43 0.00 0.00 52.55 52.94 3g17 s ASP 269 Cb -0.10 -2.24 0.24 0.00 -0.30 0.00 0.00 42.92 40.52 3g17 s ASP 269 CO 0.41 -0.61 0.54 0.35 -0.17 0.00 0.00 175.17 175.69 3g17 n THR 270 N 5.51 -0.25 -0.22 1.71 -2.24 -1.26 -5.00 114.28 112.53 3g17 n THR 270 Ca -0.06 -4.15 -0.07 0.00 -2.27 0.00 0.00 64.05 57.50 3g17 n THR 270 Cb 0.48 -1.96 0.08 0.00 -2.10 0.00 0.00 70.33 66.83 3g17 n THR 270 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3g17 h PRO 271 N 4.21 1.05 -0.15 -0.78 0.13 -1.98 0.58 132.00 135.05 3g17 h PRO 271 Ca 0.11 -0.26 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 3g17 h PRO 271 Cb 0.85 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3g17 h PRO 271 CO 0.51 0.95 -0.09 1.88 -0.23 0.00 0.00 178.00 181.03 3g17 h TYR 272 N 0.99 0.38 -0.51 1.56 0.05 -1.94 -0.64 116.97 116.86 3g17 h TYR 272 Ca 0.20 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3g17 h TYR 272 Cb 0.40 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3g17 h TYR 272 CO 0.03 0.66 0.34 1.25 -1.05 0.00 0.00 178.16 179.39 3g17 h LEU 273 N -0.02 0.59 -0.64 3.88 5.85 -1.83 -2.06 115.31 121.07 3g17 h LEU 273 Ca 0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3g17 h LEU 273 Cb 0.57 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3g17 h LEU 273 CO 0.03 0.43 0.23 0.44 -0.34 0.00 0.00 178.44 179.23 3g17 h ASP 274 N 0.70 0.91 -0.51 1.25 3.32 -0.68 -0.24 116.42 121.16 3g17 h ASP 274 Ca 0.19 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3g17 h ASP 274 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3g17 h ASP 274 CO -0.04 0.85 0.06 0.00 -1.72 0.00 0.00 179.24 178.39 3g17 h THR 275 N 0.91 1.25 -0.03 0.35 1.03 -0.91 -0.52 112.91 115.00 3g17 h THR 275 Ca 0.21 -0.97 -0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3g17 h THR 275 Cb 0.24 0.90 -0.00 0.00 -1.07 0.00 0.00 68.15 68.22 3g17 h THR 275 CO -0.01 0.35 0.02 0.40 -0.01 0.00 0.00 175.52 176.26 3g17 h ILE 276 N 0.73 1.06 -0.64 0.00 5.03 -1.21 -2.74 117.51 119.75 3g17 h ILE 276 Ca 0.15 -0.18 0.09 0.00 -0.12 0.00 0.00 64.86 64.79 3g17 h ILE 276 Cb 0.43 1.13 -0.07 0.00 -3.03 0.00 0.00 36.82 35.28 3g17 h ILE 276 CO 0.01 0.05 0.28 0.22 -0.68 0.00 0.00 178.15 178.04 3g17 h TYR 277 N -0.02 0.50 -0.19 1.37 3.20 -0.98 -1.91 116.97 118.94 3g17 h TYR 277 Ca 0.01 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3g17 h TYR 277 Cb 0.07 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3g17 h TYR 277 CO -0.05 0.17 -0.10 0.77 -1.64 0.00 0.00 178.16 177.30 3g17 h SER 278 N 0.50 -0.34 -0.52 -2.11 0.02 -0.86 0.30 113.55 110.54 3g17 h SER 278 Ca 0.31 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 3g17 h SER 278 Cb 0.34 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3g17 h SER 278 CO -0.27 -0.13 0.13 -0.26 -1.14 0.00 0.00 176.83 175.15 3g17 h PHE 279 N -0.09 0.88 -0.51 3.45 0.04 -1.28 -0.98 116.94 118.45 3g17 h PHE 279 Ca 0.11 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3g17 h PHE 279 Cb 0.25 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3g17 h PHE 279 CO -0.26 0.77 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.07 3g17 h LEU 280 N 0.73 0.95 -0.57 1.54 3.38 -0.99 -0.77 115.31 119.58 3g17 h LEU 280 Ca 0.16 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3g17 h LEU 280 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3g17 h LEU 280 CO 0.00 1.08 0.20 -0.09 0.09 0.00 0.00 178.44 179.71 3g17 h ARG 281 N 0.81 0.88 -0.90 1.13 9.65 -0.97 -0.81 114.38 124.18 3g17 h ARG 281 Ca 0.13 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3g17 h ARG 281 Cb 0.64 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 3g17 h ARG 281 CO 0.04 0.78 0.49 0.00 2.80 0.00 0.00 179.97 184.08 3g17 h ALA 282 N 1.06 1.15 -0.30 2.80 0.00 -0.88 0.43 119.26 123.51 3g17 h ALA 282 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3g17 h ALA 282 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g17 h ALA 282 CO -0.01 0.66 0.11 -0.92 0.00 0.00 0.00 179.25 179.09 3g17 h TYR 283 N 1.26 0.47 -0.51 0.00 3.20 -0.92 -2.37 116.97 118.10 3g17 h TYR 283 Ca 0.32 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3g17 h TYR 283 Cb 0.03 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3g17 h TYR 283 CO 0.01 0.47 0.34 0.37 -1.64 0.00 0.00 178.16 177.71 3g17 h GLN 284 N 0.33 0.67 -0.53 1.82 5.75 -0.46 -1.47 115.11 121.23 3g17 h GLN 284 Ca 0.10 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3g17 h GLN 284 Cb 0.21 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3g17 h GLN 284 CO -0.01 0.45 0.18 1.96 -2.65 0.00 0.00 178.83 178.77 3g17 h GLN 285 N 0.69 0.82 -0.84 1.69 1.08 -0.86 -1.06 115.11 116.63 3g17 h GLN 285 Ca 0.19 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3g17 h GLN 285 Cb -0.08 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 3g17 h GLN 285 CO -0.04 0.74 0.55 -0.97 -0.95 0.00 0.00 178.83 178.16 3g17 h ASN 286 N 0.73 0.94 -0.10 1.46 -1.24 -1.23 -0.08 115.58 116.06 3g17 h ASN 286 Ca 0.17 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 3g17 h ASN 286 Cb 0.25 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 3g17 h ASN 286 CO -0.01 0.67 0.01 -0.08 -1.29 0.00 0.00 177.43 176.74 3g17 h GLU 287 N 1.11 0.17 -0.19 6.67 4.22 -0.94 -2.35 114.58 123.27 3g17 h GLU 287 Ca 0.31 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.66 3g17 h GLU 287 Cb -0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3g17 h GLU 287 CO -0.08 0.39 -0.10 0.78 -2.18 0.00 0.00 179.01 177.81 3g17 h GLY 288 N -0.07 0.32 1.82 1.92 0.00 -0.98 -2.24 103.07 103.83 3g17 h GLY 288 Ca 0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.00 3g17 h GLY 288 CO 0.00 0.18 -0.76 0.84 0.00 0.00 0.00 176.54 176.80 3g17 h HIS 289 N 0.28 0.24 -0.45 5.60 -0.00 -0.87 -3.26 115.15 116.70 3g17 h HIS 289 Ca 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 3g17 h HIS 289 Cb 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3g17 h HIS 289 CO 0.01 0.86 0.00 0.72 -0.00 0.00 0.00 177.93 179.52 3g17 n HIS 290 N -3.73 1.37 1.47 5.26 8.25 -0.90 -5.10 115.22 121.85 3g17 n HIS 290 Ca -0.03 -0.74 0.12 0.00 -0.26 0.00 0.00 57.72 56.81 3g17 n HIS 290 Cb 0.73 -0.34 0.70 0.00 1.12 0.00 0.00 29.99 32.20 3g17 n HIS 290 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56