#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 0.14 0.16 2.46 1.01 -1.26 -1.38 120.40 121.53 3g17 s VAL 5 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3g17 s VAL 5 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3g17 s VAL 5 CO 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 175.10 175.06 3g17 s ALA 6 N 0.95 2.71 -0.14 5.51 0.00 0.03 -1.94 121.76 128.88 3g17 s ALA 6 Ca -0.09 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.40 3g17 s ALA 6 Cb -0.13 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3g17 s ALA 6 CO -0.02 0.51 -0.17 0.42 0.00 0.00 0.00 175.76 176.50 3g17 s ILE 7 N -1.46 1.74 -0.21 0.00 1.09 0.43 -0.99 121.20 121.80 3g17 s ILE 7 Ca 0.21 -0.76 -0.07 0.00 -1.10 0.00 0.00 60.65 58.92 3g17 s ILE 7 Cb -0.09 -1.59 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 3g17 s ILE 7 CO 0.11 0.49 0.05 -0.63 -0.10 0.00 0.00 174.94 174.86 3g17 s ILE 8 N 1.16 4.43 0.00 2.92 1.01 -0.19 0.33 121.20 130.86 3g17 s ILE 8 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3g17 s ILE 8 Cb -0.14 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3g17 s ILE 8 CO -0.07 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3g17 n GLY 9 N 4.20 0.88 2.16 6.18 0.00 -0.22 -0.01 105.19 118.38 3g17 n GLY 9 Ca -0.16 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 0.10 2.67 -0.05 1.61 -0.04 -1.26 -3.83 135.00 134.21 3g17 n PRO 10 Ca 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 3g17 n PRO 10 Cb 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 2.61 0.87 0.04 0.55 0.00 -1.26 -4.71 105.19 103.29 3g17 n GLY 11 Ca 0.55 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.32 -0.01 -0.00 4.61 0.00 -1.89 -2.14 119.26 118.50 3g17 h ALA 12 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g17 h ALA 12 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3g17 h ALA 12 CO 0.00 -0.50 -0.00 0.28 0.00 0.00 0.00 179.25 179.03 3g17 h VAL 13 N -0.02 1.29 -0.73 0.00 2.07 -1.89 -2.35 116.25 114.62 3g17 h VAL 13 Ca -0.00 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3g17 h VAL 13 Cb 0.02 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3g17 h VAL 13 CO 0.00 0.22 0.46 1.23 0.02 0.00 0.00 177.57 179.50 3g17 h GLY 14 N -0.36 1.06 1.01 2.17 0.00 -1.66 -0.33 103.07 104.96 3g17 h GLY 14 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3g17 h GLY 14 CO 0.00 0.29 -0.16 -0.84 0.00 0.00 0.00 176.54 175.83 3g17 h THR 15 N 0.90 1.28 -0.05 4.70 2.02 -1.41 -0.69 112.91 119.66 3g17 h THR 15 Ca 0.30 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 3g17 h THR 15 Cb 0.02 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3g17 h THR 15 CO -0.11 0.43 0.03 0.74 0.37 0.00 0.00 175.52 176.98 3g17 h THR 16 N 0.63 1.05 -0.36 3.16 2.02 -1.08 0.10 112.91 118.43 3g17 h THR 16 Ca 0.09 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3g17 h THR 16 Cb 0.71 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3g17 h THR 16 CO 0.05 0.04 0.22 0.40 0.37 0.00 0.00 175.52 176.60 3g17 h ILE 17 N 0.02 1.05 0.05 3.11 2.04 -0.95 -1.27 117.51 121.56 3g17 h ILE 17 Ca 0.02 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3g17 h ILE 17 Cb 0.04 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3g17 h ILE 17 CO -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 178.15 178.20 3g17 h ALA 18 N 1.15 -0.07 -0.20 1.87 0.00 -0.88 -1.46 119.26 119.67 3g17 h ALA 18 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3g17 h ALA 18 Cb -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3g17 h ALA 18 CO -0.06 -0.51 -0.11 -0.92 0.00 0.00 0.00 179.25 177.66 3g17 h TYR 19 N -0.13 -0.26 -0.79 0.00 3.20 -0.63 -0.68 116.97 117.68 3g17 h TYR 19 Ca -0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3g17 h TYR 19 Cb 0.11 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3g17 h TYR 19 CO -0.05 -0.16 0.32 0.93 -1.64 0.00 0.00 178.16 177.55 3g17 h GLU 20 N -0.09 1.17 -0.10 1.82 4.39 -1.09 -2.98 114.58 117.71 3g17 h GLU 20 Ca 0.11 -0.21 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 3g17 h GLU 20 Cb 0.26 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3g17 h GLU 20 CO -0.26 0.94 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.72 3g17 h LEU 21 N 1.14 0.61 -2.68 1.33 3.38 -1.10 -3.28 115.31 114.73 3g17 h LEU 21 Ca 0.26 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3g17 h LEU 21 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3g17 h LEU 21 CO -0.02 1.16 -0.01 1.56 0.09 0.00 0.00 178.44 181.22 3g17 h GLN 22 N 0.35 0.00 -0.37 1.13 4.20 -0.96 0.24 115.11 119.71 3g17 h GLN 22 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3g17 h GLN 22 Cb 1.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.10 3g17 h GLN 22 CO 0.14 0.01 0.17 1.96 -0.67 0.00 0.00 178.83 180.44 3g17 h GLN 23 N 0.00 0.53 0.00 1.46 1.08 -1.61 -3.10 115.11 113.47 3g17 h GLN 23 Ca -0.00 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 56.97 3g17 h GLN 23 Cb 0.06 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3g17 h GLN 23 CO 0.00 0.48 -2.05 -1.13 -0.95 0.00 0.00 178.83 175.18 3g17 n SER 24 N -4.71 0.10 -3.63 1.46 3.41 -1.03 -4.69 113.62 104.54 3g17 n SER 24 Ca -0.01 0.04 -0.27 0.00 -0.26 0.00 0.00 58.87 58.38 3g17 n SER 24 Cb 0.11 1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.50 2.97 0.13 1.04 4.77 0.82 -4.98 117.00 119.25 3g17 n LEU 25 Ca -0.15 -5.23 0.10 0.00 -0.03 0.00 0.00 56.01 50.70 3g17 n LEU 25 Cb 0.80 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.84 3g17 n LEU 25 CO 0.44 1.91 0.81 -0.81 -1.33 0.00 0.00 177.39 178.41 3g17 n PRO 26 N 1.51 0.14 0.00 3.23 -0.04 -1.17 -1.09 135.00 137.58 3g17 n PRO 26 Ca 0.25 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.39 3g17 n PRO 26 Cb 0.39 -1.88 0.47 0.00 -0.04 0.00 0.00 33.50 32.45 3g17 n PRO 26 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3g17 n HIS 27 N -2.17 0.00 -1.59 0.54 8.25 -1.26 -4.88 115.22 114.12 3g17 n HIS 27 Ca 0.00 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.96 3g17 n HIS 27 Cb 0.10 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.03 0.40 -5.19 1.59 -1.04 -0.25 -4.78 114.28 103.98 3g17 n THR 28 Ca 0.11 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 3g17 n THR 28 Cb 0.32 -0.88 -0.17 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.20 1.98 -0.27 12.58 2.01 -0.82 -4.93 115.64 126.40 3g17 s THR 29 Ca 0.79 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 3g17 s THR 29 Cb -0.89 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3g17 s THR 29 CO 0.49 0.55 0.22 -0.22 -0.69 0.00 0.00 174.62 174.96 3g17 s LEU 30 N 0.16 4.04 -0.10 4.42 2.96 -1.26 -0.43 118.68 128.47 3g17 s LEU 30 Ca -0.12 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3g17 s LEU 30 Cb -0.16 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 3g17 s LEU 30 CO 0.06 -0.05 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.30 3g17 s ILE 31 N 1.67 3.27 0.24 6.68 1.01 0.15 -0.64 121.20 133.58 3g17 s ILE 31 Ca 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3g17 s ILE 31 Cb -0.15 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3g17 s ILE 31 CO 0.10 0.55 0.15 0.61 0.00 0.00 0.00 174.94 176.34 3g17 n GLY 32 N 3.00 3.39 0.19 6.18 0.00 0.16 -1.06 105.19 117.07 3g17 n GLY 32 Ca -0.18 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 0.50 -4.96 1.61 3.08 -1.95 -2.26 114.38 110.40 3g17 h ARG 33 Ca -0.17 -0.03 -0.40 0.00 0.07 0.00 0.00 59.98 59.45 3g17 h ARG 33 Cb 0.79 -0.11 -0.26 0.00 0.08 0.00 0.00 29.97 30.47 3g17 h ARG 33 CO 0.27 0.33 -0.78 -1.01 -1.07 0.00 0.00 179.97 177.71 3g17 s HIS 34 N -6.14 0.97 0.35 3.04 3.76 -1.26 -3.91 115.29 112.10 3g17 s HIS 34 Ca -0.13 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.21 3g17 s HIS 34 Cb 0.13 -0.59 -0.12 0.00 1.11 0.00 0.00 32.58 33.10 3g17 s HIS 34 CO 0.73 -0.00 1.33 0.00 -0.85 0.00 0.00 174.74 175.95 3g17 n ALA 35 N 2.24 1.51 -3.81 -1.40 0.00 -1.26 -4.36 120.51 113.44 3g17 n ALA 35 Ca -0.17 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.66 3g17 n ALA 35 Cb 0.56 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.95 0.11 -0.10 0.00 -2.85 -0.33 -4.93 119.74 109.69 3g17 s LYS 36 Ca 0.55 -0.07 0.02 0.00 -1.00 0.00 0.00 55.97 55.47 3g17 s LYS 36 Cb -0.55 0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.24 3g17 s LYS 36 CO 0.62 -0.05 -0.15 0.99 0.10 0.00 0.00 175.35 176.86 3g17 s THR 37 N -2.05 2.88 -0.03 3.79 2.01 -1.26 0.11 115.64 121.08 3g17 s THR 37 Ca 0.24 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3g17 s THR 37 Cb 0.03 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3g17 s THR 37 CO -0.04 0.55 0.01 -0.63 -0.69 0.00 0.00 174.62 173.82 3g17 s ILE 38 N 0.07 4.30 -0.18 1.82 1.01 0.26 -4.94 121.20 123.54 3g17 s ILE 38 Ca -0.06 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 3g17 s ILE 38 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3g17 s ILE 38 CO 0.05 0.46 0.59 -0.89 0.00 0.00 0.00 174.94 175.14 3g17 s THR 39 N -1.03 5.06 -0.06 2.92 2.01 -0.60 0.04 115.64 123.97 3g17 s THR 39 Ca 0.18 1.12 0.05 0.00 0.31 0.00 0.00 61.69 63.34 3g17 s THR 39 Cb -0.12 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3g17 s THR 39 CO 0.08 0.16 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.49 3g17 s TYR 40 N 1.66 2.54 -0.18 4.92 5.04 0.11 -0.65 117.35 130.79 3g17 s TYR 40 Ca 0.28 -0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3g17 s TYR 40 Cb -0.16 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.53 3g17 s TYR 40 CO 0.11 -0.11 -0.16 0.71 -1.34 0.00 0.00 175.55 174.75 3g17 s TYR 41 N -0.25 2.81 0.54 4.97 1.51 -0.25 -1.49 117.35 125.19 3g17 s TYR 41 Ca -0.00 -1.41 0.21 0.00 -1.01 0.00 0.00 57.07 54.85 3g17 s TYR 41 Cb -0.13 -1.95 1.40 0.00 -0.11 0.00 0.00 41.96 41.17 3g17 s TYR 41 CO 0.03 -0.71 2.12 1.79 -1.11 0.00 0.00 175.55 177.68 3g17 h THR 42 N 5.85 0.83 -1.85 -0.71 1.35 -1.86 -0.65 112.91 115.87 3g17 h THR 42 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 3g17 h THR 42 Cb 1.15 0.93 -0.21 0.00 -1.73 0.00 0.00 68.15 68.29 3g17 h THR 42 CO 0.62 0.00 0.30 0.54 -0.25 0.00 0.00 175.52 176.73 3g17 s VAL 43 N -4.96 0.00 0.30 6.82 0.11 -1.24 -4.43 120.40 117.00 3g17 s VAL 43 Ca -0.05 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 3g17 s VAL 43 Cb 0.17 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.89 3g17 s VAL 43 CO 0.66 0.00 1.22 -2.65 -3.33 0.00 0.00 175.10 170.99 3g17 n PRO 44 N 1.07 1.83 -0.45 1.54 -0.02 -1.25 -1.78 135.00 135.94 3g17 n PRO 44 Ca -0.16 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3g17 n PRO 44 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.61 0.00 -1.04 6.00 8.25 -1.26 -5.02 115.22 122.76 3g17 n HIS 45 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 3g17 n HIS 45 Cb 0.34 -0.40 0.13 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.74 1.82 0.59 -1.41 0.00 -0.74 -4.96 121.76 114.33 3g17 s ALA 46 Ca 0.00 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 3g17 s ALA 46 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3g17 s ALA 46 CO 0.00 -2.30 1.19 -1.25 0.00 0.00 0.00 175.76 173.40 3g17 s PRO 47 N -4.44 3.04 0.30 0.00 0.04 -1.26 -4.92 135.00 127.77 3g17 s PRO 47 Ca 0.68 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 3g17 s PRO 47 Cb -0.24 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3g17 s PRO 47 CO 0.53 -1.13 1.14 0.00 0.04 0.00 0.00 177.00 177.58 3g17 s ALA 48 N -1.67 3.42 -0.00 8.56 0.00 -1.26 -4.73 121.76 126.07 3g17 s ALA 48 Ca 0.76 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.75 3g17 s ALA 48 Cb -0.28 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3g17 s ALA 48 CO 0.32 -0.27 -0.17 -0.65 0.00 0.00 0.00 175.76 174.99 3g17 s GLN 49 N -1.56 1.35 -0.01 0.00 -0.21 -0.56 -4.98 119.66 113.70 3g17 s GLN 49 Ca 0.46 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.93 3g17 s GLN 49 Cb -0.33 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 3g17 s GLN 49 CO 0.43 0.36 0.78 -0.51 -2.12 0.00 0.00 175.29 174.23 3g17 s ASP 50 N -0.54 7.15 -0.05 5.90 1.01 -1.26 0.07 116.67 128.95 3g17 s ASP 50 Ca 0.06 1.38 0.04 0.00 0.71 0.00 0.00 52.55 54.75 3g17 s ASP 50 Cb -0.07 -2.47 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 3g17 s ASP 50 CO -0.00 -0.10 -0.18 -0.51 0.21 0.00 0.00 175.17 174.59 3g17 s ILE 51 N 0.53 1.50 0.10 0.77 2.07 0.11 -4.94 121.20 121.34 3g17 s ILE 51 Ca 0.41 -0.75 -0.22 0.00 -1.41 0.00 0.00 60.65 58.68 3g17 s ILE 51 Cb -0.19 -1.29 -0.07 0.00 0.13 0.00 0.00 42.46 41.03 3g17 s ILE 51 CO 0.22 0.43 0.65 -0.69 -1.91 0.00 0.00 174.94 173.64 3g17 s VAL 52 N 0.08 4.62 -0.10 4.00 1.01 -1.26 0.89 120.40 129.64 3g17 s VAL 52 Ca -0.05 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3g17 s VAL 52 Cb -0.12 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3g17 s VAL 52 CO 0.03 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 3g17 s VAL 53 N -1.03 2.48 -0.08 2.92 1.01 0.30 -4.55 120.40 121.44 3g17 s VAL 53 Ca 0.32 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3g17 s VAL 53 Cb -0.21 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3g17 s VAL 53 CO 0.21 0.55 0.11 -0.75 0.00 0.00 0.00 175.10 175.22 3g17 s LYS 54 N 0.22 3.29 0.49 2.72 2.20 0.18 -1.19 119.74 127.65 3g17 s LYS 54 Ca -0.12 -0.26 -0.19 0.00 -0.36 0.00 0.00 55.97 55.03 3g17 s LYS 54 Cb -0.16 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 3g17 s LYS 54 CO 0.07 0.73 0.99 0.20 -0.36 0.00 0.00 175.35 176.97 3g17 s GLY 55 N -1.22 2.25 0.22 5.54 0.00 -1.26 0.40 107.32 113.25 3g17 s GLY 55 Ca 0.17 0.34 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 3g17 s GLY 55 CO 0.07 0.63 1.62 -0.97 0.00 0.00 0.00 173.10 174.46 3g17 h TYR 56 N 1.32 -0.31 -0.93 1.90 0.05 -1.52 -0.94 116.97 116.54 3g17 h TYR 56 Ca -0.48 0.06 0.21 0.00 0.05 0.00 0.00 58.73 58.57 3g17 h TYR 56 Cb 1.19 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 39.10 3g17 h TYR 56 CO 0.62 -0.28 0.61 0.93 -1.05 0.00 0.00 178.16 178.99 3g17 h GLU 57 N 0.01 0.41 -0.00 4.88 5.08 -1.89 -2.74 114.58 120.33 3g17 h GLU 57 Ca 0.33 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3g17 h GLU 57 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3g17 h GLU 57 CO -0.68 0.27 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.31 3g17 n ASP 58 N -4.53 0.15 -4.69 1.42 8.00 -0.36 -4.85 116.55 111.69 3g17 n ASP 58 Ca 0.20 -0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 3g17 n ASP 58 Cb 0.72 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 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 -2.61 5.24 0.00 2.53 1.01 -1.04 -4.94 120.40 120.59 3g17 s VAL 59 Ca 0.26 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3g17 s VAL 59 Cb 0.20 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3g17 s VAL 59 CO 0.48 0.30 0.89 0.35 0.00 0.00 0.00 175.10 177.13 3g17 n THR 60 N 4.10 0.80 -4.62 3.92 -2.24 -1.26 -5.05 114.28 109.92 3g17 n THR 60 Ca -0.10 -0.86 -0.28 0.00 -2.27 0.00 0.00 64.05 60.54 3g17 n THR 60 Cb 0.51 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.80 3.53 0.42 3.42 4.22 -1.26 -5.16 114.94 119.31 3g17 s ASN 61 Ca 0.00 -1.51 0.07 0.00 -2.14 0.00 0.00 52.86 49.29 3g17 s ASN 61 Cb 0.00 0.09 -0.03 0.00 1.28 0.00 0.00 41.25 42.59 3g17 s ASN 61 CO 0.00 -0.68 0.32 0.42 -2.04 0.00 0.00 177.10 175.12 3g17 s THR 62 N -2.94 2.50 0.02 0.54 -4.23 -1.26 -4.67 115.64 105.60 3g17 s THR 62 Ca 0.24 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3g17 s THR 62 Cb 0.06 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 3g17 s THR 62 CO 0.12 0.00 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.74 3g17 s PHE 63 N -2.53 0.85 0.29 3.99 0.08 0.72 -4.97 117.98 116.42 3g17 s PHE 63 Ca 0.45 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 57.28 3g17 s PHE 63 Cb -0.01 -0.52 0.43 0.00 -0.57 0.00 0.00 43.02 42.35 3g17 s PHE 63 CO 0.26 -0.01 1.69 -0.44 -0.10 0.00 0.00 175.22 176.61 3g17 h ASP 64 N 5.30 0.25 -3.49 1.36 3.32 -1.70 -3.38 116.42 118.08 3g17 h ASP 64 Ca -0.34 -0.11 -0.44 0.00 0.02 0.00 0.00 57.03 56.16 3g17 h ASP 64 Cb 1.19 -0.07 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 3g17 h ASP 64 CO 0.46 0.66 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.16 3g17 s VAL 65 N -4.10 0.76 -0.19 -1.35 1.01 -0.48 -1.35 120.40 114.70 3g17 s VAL 65 Ca -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3g17 s VAL 65 Cb 0.13 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.82 3g17 s VAL 65 CO 0.77 0.27 -0.12 -0.63 0.00 0.00 0.00 175.10 175.39 3g17 s ILE 66 N 0.72 1.72 -0.35 2.22 1.01 0.11 -0.79 121.20 125.84 3g17 s ILE 66 Ca -0.12 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 3g17 s ILE 66 Cb -0.14 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3g17 s ILE 66 CO 0.01 0.26 0.39 -0.63 0.00 0.00 0.00 174.94 174.98 3g17 s ILE 67 N 1.38 5.13 -0.26 2.92 1.01 -0.16 -0.11 121.20 131.10 3g17 s ILE 67 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 3g17 s ILE 67 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3g17 s ILE 67 CO -0.09 -0.14 0.38 -0.63 0.00 0.00 0.00 174.94 174.46 3g17 s ILE 68 N 2.09 5.17 -0.12 2.92 1.01 0.95 -1.03 121.20 132.20 3g17 s ILE 68 Ca 0.13 0.60 0.17 0.00 0.00 0.00 0.00 60.65 61.54 3g17 s ILE 68 Cb -0.16 -3.71 0.40 0.00 0.01 0.00 0.00 42.46 39.00 3g17 s ILE 68 CO 0.12 0.16 1.19 0.00 0.00 0.00 0.00 174.94 176.41 3g17 n ALA 69 N 5.29 3.05 -1.92 9.38 0.00 0.98 -0.74 120.51 136.54 3g17 n ALA 69 Ca -0.08 -2.84 -0.27 0.00 0.00 0.00 0.00 53.44 50.25 3g17 n ALA 69 Cb 0.51 -0.51 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.87 2.15 0.71 0.00 -7.23 -1.24 -4.47 120.40 108.44 3g17 s VAL 70 Ca 0.35 -0.17 -0.15 0.00 -1.81 0.00 0.00 61.98 60.20 3g17 s VAL 70 Cb 0.36 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3g17 s VAL 70 CO -0.10 0.00 1.17 -0.54 -0.31 0.00 0.00 175.10 175.32 3g17 s LYS 71 N -5.42 2.35 0.30 4.82 1.02 -1.26 -4.82 119.74 116.73 3g17 s LYS 71 Ca 0.62 1.62 0.03 0.00 0.02 0.00 0.00 55.97 58.26 3g17 s LYS 71 Cb -0.10 -1.87 0.60 0.00 -0.52 0.00 0.00 37.83 35.94 3g17 s LYS 71 CO 0.47 -1.65 1.87 1.79 -0.92 0.00 0.00 175.35 176.91 3g17 h THR 72 N -0.22 0.94 0.00 2.17 1.35 -1.94 0.16 112.91 115.38 3g17 h THR 72 Ca -0.47 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3g17 h THR 72 Cb 1.28 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3g17 h THR 72 CO 0.51 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.95 3g17 n HIS 73 N -4.57 0.00 0.89 4.73 1.44 -1.26 -2.53 115.22 113.92 3g17 n HIS 73 Ca 0.17 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.98 3g17 n HIS 73 Cb 0.33 -0.21 0.04 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.21 1.66 -0.04 -1.40 6.02 0.54 -4.58 117.38 118.38 3g17 n GLN 74 Ca 0.12 -1.33 -0.10 0.00 -0.01 0.00 0.00 57.00 55.68 3g17 n GLN 74 Cb 0.15 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 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 3.14 0.23 -1.84 1.08 5.85 -1.42 -2.41 115.31 119.94 3g17 h LEU 75 Ca 0.00 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3g17 h LEU 75 Cb 0.78 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3g17 h LEU 75 CO 0.00 0.17 0.34 0.44 -0.34 0.00 0.00 178.44 179.05 3g17 h ASP 76 N 0.26 0.17 1.57 1.25 3.32 -1.82 0.82 116.42 121.98 3g17 h ASP 76 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3g17 h ASP 76 Cb -0.02 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3g17 h ASP 76 CO -0.02 0.10 -0.03 0.00 -1.72 0.00 0.00 179.24 177.57 3g17 h ALA 77 N 1.75 0.99 0.17 3.45 0.00 -1.75 -3.23 119.26 120.64 3g17 h ALA 77 Ca 0.23 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 3g17 h ALA 77 Cb 0.67 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3g17 h ALA 77 CO -0.04 0.04 -1.40 0.28 0.00 0.00 0.00 179.25 178.13 3g17 h VAL 78 N 0.00 1.34 -0.65 0.00 2.07 -0.71 -3.41 116.25 114.90 3g17 h VAL 78 Ca -0.00 -2.88 0.13 0.00 0.82 0.00 0.00 66.70 64.77 3g17 h VAL 78 Cb 0.82 2.94 -0.10 0.00 -1.52 0.00 0.00 31.29 33.43 3g17 h VAL 78 CO 0.00 0.85 0.13 0.40 0.02 0.00 0.00 177.57 178.98 3g17 h ILE 79 N 0.10 0.59 -0.35 4.57 2.04 -1.48 -0.43 117.51 122.55 3g17 h ILE 79 Ca -0.20 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.67 3g17 h ILE 79 Cb 2.05 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3g17 h ILE 79 CO 0.22 0.05 0.40 -0.65 0.00 0.00 0.00 178.15 178.17 3g17 h PRO 80 N 0.25 0.00 0.00 2.37 0.11 -1.78 -1.98 132.00 130.97 3g17 h PRO 80 Ca 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 3g17 h PRO 80 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3g17 h PRO 80 CO -0.45 0.00 -0.24 0.45 -0.21 0.00 0.00 178.00 177.55 3g17 h HIS 81 N 0.00 0.00 -0.19 0.65 3.86 -1.35 -3.34 115.15 114.78 3g17 h HIS 81 Ca 0.17 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 3g17 h HIS 81 Cb 0.97 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3g17 h HIS 81 CO 0.00 0.10 0.13 -0.07 0.86 0.00 0.00 177.93 178.95 3g17 h LEU 82 N 0.00 0.06 -1.60 2.43 3.38 -1.44 -1.93 115.31 116.21 3g17 h LEU 82 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3g17 h LEU 82 Cb 1.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3g17 h LEU 82 CO 0.01 0.04 0.13 0.74 0.09 0.00 0.00 178.44 179.45 3g17 h THR 83 N 0.07 1.11 0.00 0.22 2.02 -1.76 -1.50 112.91 113.07 3g17 h THR 83 Ca 0.08 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3g17 h THR 83 Cb 0.25 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3g17 h THR 83 CO -0.01 0.12 -0.87 1.88 0.37 0.00 0.00 175.52 177.02 3g17 h TYR 84 N 0.39 0.00 0.00 3.16 0.05 -1.62 -3.37 116.97 115.58 3g17 h TYR 84 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3g17 h TYR 84 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3g17 h TYR 84 CO 0.00 0.00 -1.75 1.28 -1.05 0.00 0.00 178.16 176.64 3g17 n LEU 85 N -2.39 0.08 -4.42 3.88 4.77 -0.99 -4.60 117.00 113.34 3g17 n LEU 85 Ca 0.01 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 3g17 n LEU 85 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3g17 n LEU 85 CO 0.39 0.02 -0.52 0.00 -1.33 0.00 0.00 177.39 175.95 3g17 s ALA 86 N -3.24 2.50 0.36 -1.18 0.00 -0.60 -0.20 121.76 119.40 3g17 s ALA 86 Ca -0.05 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.31 3g17 s ALA 86 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3g17 s ALA 86 CO 0.77 0.38 0.49 -3.38 0.00 0.00 0.00 175.76 174.02 3g17 s HIS 87 N -1.87 3.02 -1.80 0.00 -3.43 -1.26 -4.86 115.29 105.09 3g17 s HIS 87 Ca 0.22 -0.27 0.23 0.00 -0.80 0.00 0.00 55.06 54.43 3g17 s HIS 87 Cb -0.07 -2.10 1.29 0.00 -1.43 0.00 0.00 32.58 30.27 3g17 s HIS 87 CO 0.10 -0.12 1.74 -1.91 -2.00 0.00 0.00 174.74 172.55 3g17 n GLU 88 N -1.69 0.58 -0.01 -0.38 4.07 -1.26 -1.08 120.64 120.87 3g17 n GLU 88 Ca 0.02 0.03 0.14 0.00 -0.06 0.00 0.00 57.16 57.28 3g17 n GLU 88 Cb 0.58 -1.50 0.48 0.00 -0.06 0.00 0.00 31.44 30.94 3g17 n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3g17 n ASP 89 N -1.10 1.64 -4.71 4.31 2.03 -1.26 -4.53 116.55 112.92 3g17 n ASP 89 Ca 0.15 -1.56 -0.42 0.00 0.52 0.00 0.00 54.79 53.48 3g17 n ASP 89 Cb 0.11 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 3g17 n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3g17 s THR 90 N -1.98 4.62 -0.45 5.18 2.01 -0.24 -4.97 115.64 119.81 3g17 s THR 90 Ca 0.37 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 64.01 3g17 s THR 90 Cb 0.21 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.50 3g17 s THR 90 CO 0.33 0.17 1.31 -0.22 -0.69 0.00 0.00 174.62 175.52 3g17 s LEU 91 N 0.85 3.59 -0.32 4.42 2.96 -0.46 -4.41 118.68 125.31 3g17 s LEU 91 Ca 0.53 0.64 -0.16 0.00 -0.22 0.00 0.00 54.13 54.92 3g17 s LEU 91 Cb -0.23 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 3g17 s LEU 91 CO 0.29 -1.39 0.41 -0.63 -1.32 0.00 0.00 176.35 173.71 3g17 s ILE 92 N 5.11 5.12 -0.17 6.68 1.01 -0.44 0.04 121.20 138.56 3g17 s ILE 92 Ca 0.56 0.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 3g17 s ILE 92 Cb -0.11 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3g17 s ILE 92 CO 0.32 -0.06 -0.05 -0.63 0.00 0.00 0.00 174.94 174.52 3g17 s ILE 93 N 2.14 3.62 -0.76 2.92 1.01 0.84 -0.64 121.20 130.34 3g17 s ILE 93 Ca 0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 3g17 s ILE 93 Cb -0.16 -2.59 0.10 0.00 0.01 0.00 0.00 42.46 39.81 3g17 s ILE 93 CO 0.12 0.48 0.99 -0.76 0.00 0.00 0.00 174.94 175.76 3g17 s LEU 94 N 0.68 4.78 -1.31 2.97 1.43 0.51 -0.03 118.68 127.71 3g17 s LEU 94 Ca -0.03 -1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 51.50 3g17 s LEU 94 Cb -0.15 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.82 3g17 s LEU 94 CO 0.02 -1.25 1.93 0.00 0.23 0.00 0.00 176.35 177.28 3g17 n ALA 95 N 7.07 5.33 -2.14 4.21 0.00 0.08 -1.38 120.51 133.68 3g17 n ALA 95 Ca 0.06 -4.23 -0.09 0.00 0.00 0.00 0.00 53.44 49.19 3g17 n ALA 95 Cb 0.46 -3.09 -0.10 0.00 0.00 0.00 0.00 19.45 16.72 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 0.97 0.70 0.74 0.00 -0.21 -1.26 -4.43 119.66 116.18 3g17 s GLN 96 Ca 0.41 -1.26 -0.11 0.00 0.02 0.00 0.00 55.36 54.43 3g17 s GLN 96 Cb 0.10 0.03 0.04 0.00 1.00 0.00 0.00 33.01 34.18 3g17 s GLN 96 CO -0.01 -0.07 1.09 -0.80 -2.12 0.00 0.00 175.29 173.37 3g17 s ASN 97 N -2.94 4.75 0.65 5.90 0.01 -1.26 -4.65 114.94 117.40 3g17 s ASN 97 Ca 0.09 1.79 0.00 0.00 -0.71 0.00 0.00 52.86 54.03 3g17 s ASN 97 Cb 0.06 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3g17 s ASN 97 CO -0.08 -1.87 0.00 0.61 -1.51 0.00 0.00 177.10 174.26 3g17 n GLY 98 N -1.32 0.39 2.69 0.66 0.00 -1.26 -4.56 105.19 101.79 3g17 n GLY 98 Ca 0.09 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 1.05 0.00 1.61 5.04 -0.34 -5.01 117.35 119.70 3g17 s TYR 99 Ca 0.00 -1.08 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 3g17 s TYR 99 Cb 0.00 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 41.13 3g17 s TYR 99 CO 0.00 -0.72 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 3g17 n GLY 100 N 5.04 0.94 3.19 8.97 0.00 -1.26 -4.68 105.19 117.39 3g17 n GLY 100 Ca -0.06 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 3g17 n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g17 n GLN 101 N 0.00 3.63 0.13 1.61 6.02 -1.26 -4.74 117.38 122.78 3g17 n GLN 101 Ca 0.00 -3.94 0.11 0.00 -0.01 0.00 0.00 57.00 53.16 3g17 n GLN 101 Cb 0.00 -2.85 0.50 0.00 1.02 0.00 0.00 30.24 28.90 3g17 n GLN 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g17 n LEU 102 N 4.01 0.59 -0.07 1.08 4.32 -1.26 -1.97 117.00 123.69 3g17 n LEU 102 Ca 0.34 0.68 0.14 0.00 -0.02 0.00 0.00 56.01 57.15 3g17 n LEU 102 Cb 0.39 -0.64 0.61 0.00 -1.62 0.00 0.00 43.42 42.15 3g17 n LEU 102 CO 0.67 -0.65 0.87 -1.84 -1.22 0.00 0.00 177.39 175.22 3g17 n GLU 103 N -2.19 0.51 0.00 3.23 0.00 -1.26 -2.92 120.64 118.01 3g17 n GLU 103 Ca 0.01 -0.15 0.13 0.00 0.00 0.00 0.00 57.16 57.16 3g17 n GLU 103 Cb 0.17 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.59 3g17 n GLU 103 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3g17 n HIS 104 N -1.12 0.00 -3.62 -1.84 8.25 -0.83 -4.83 115.22 111.23 3g17 n HIS 104 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.19 3g17 n HIS 104 Cb 0.28 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 3g17 n HIS 104 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3g17 s ILE 105 N -2.56 4.30 -0.58 1.59 1.01 -1.15 -4.99 121.20 118.82 3g17 s ILE 105 Ca 0.25 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 3g17 s ILE 105 Cb 0.19 -3.53 -0.21 0.00 0.01 0.00 0.00 42.46 38.93 3g17 s ILE 105 CO 0.52 -0.38 3.39 -0.81 0.00 0.00 0.00 174.94 177.66 3g17 n PRO 106 N 4.93 2.61 -4.03 2.79 -0.04 -1.26 -4.81 135.00 135.19 3g17 n PRO 106 Ca -0.11 -1.43 -0.08 0.00 -0.04 0.00 0.00 63.50 61.85 3g17 n PRO 106 Cb 0.44 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.42 0.39 -0.03 0.54 0.08 -1.26 -5.08 117.98 114.03 3g17 s PHE 107 Ca 0.68 -0.81 -0.26 0.00 0.12 0.00 0.00 56.93 56.66 3g17 s PHE 107 Cb 0.27 -0.29 -0.21 0.00 -0.57 0.00 0.00 43.02 42.22 3g17 s PHE 107 CO -0.02 -0.30 1.20 0.87 -0.10 0.00 0.00 175.22 176.86 3g17 h LYS 108 N 3.79 0.03 -2.92 0.44 1.57 -1.87 -3.39 116.57 114.22 3g17 h LYS 108 Ca -0.33 -0.02 -0.81 0.00 -1.87 0.00 0.00 60.65 57.63 3g17 h LYS 108 Cb 1.17 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.22 3g17 h LYS 108 CO 0.55 0.59 0.92 0.09 -0.57 0.00 0.00 179.45 181.02 3g17 n ASN 109 N -4.79 6.40 -4.46 0.86 3.02 -1.26 -4.98 115.26 110.04 3g17 n ASN 109 Ca -0.09 -3.41 -0.34 0.00 -0.03 0.00 0.00 54.58 50.72 3g17 n ASN 109 Cb 0.30 -1.28 -0.12 0.00 -0.61 0.00 0.00 39.78 38.06 3g17 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g17 s VAL 110 N -2.63 3.81 -0.05 2.41 1.01 -1.26 -1.32 120.40 122.36 3g17 s VAL 110 Ca 0.32 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3g17 s VAL 110 Cb 0.06 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3g17 s VAL 110 CO 0.09 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 3g17 s GLN 112 N 0.78 4.00 0.56 0.00 2.00 -1.26 -0.36 119.66 125.38 3g17 s GLN 112 Ca -0.13 0.96 -0.13 0.00 -2.00 0.00 0.00 55.36 54.07 3g17 s GLN 112 Cb -0.15 -3.77 -0.05 0.00 0.80 0.00 0.00 33.01 29.84 3g17 s GLN 112 CO 0.02 -0.98 0.99 0.00 -0.50 0.00 0.00 175.29 174.82 3g17 s ALA 113 N 3.76 3.12 -0.21 1.58 0.00 -0.48 -4.51 121.76 125.02 3g17 s ALA 113 Ca 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 3g17 s ALA 113 Cb -0.11 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3g17 s ALA 113 CO 0.18 -0.48 0.04 0.08 0.00 0.00 0.00 175.76 175.58 3g17 s VAL 114 N -2.92 4.25 -0.22 0.00 1.01 0.20 -4.59 120.40 118.13 3g17 s VAL 114 Ca 0.56 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3g17 s VAL 114 Cb -0.11 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3g17 s VAL 114 CO 0.44 0.40 0.09 -0.69 0.00 0.00 0.00 175.10 175.35 3g17 s VAL 115 N 1.11 4.83 -0.59 2.92 1.01 -1.26 -1.05 120.40 127.35 3g17 s VAL 115 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3g17 s VAL 115 Cb -0.14 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 33.18 3g17 s VAL 115 CO 0.02 0.39 0.41 -0.31 0.00 0.00 0.00 175.10 175.62 3g17 s TYR 116 N 0.90 2.81 -0.21 5.22 2.02 0.35 -5.03 117.35 123.40 3g17 s TYR 116 Ca 0.05 -3.00 -0.04 0.00 -0.37 0.00 0.00 57.07 53.71 3g17 s TYR 116 Cb -0.14 -2.23 0.11 0.00 -0.40 0.00 0.00 41.96 39.30 3g17 s TYR 116 CO 0.03 -0.65 0.33 0.42 -1.57 0.00 0.00 175.55 174.11 3g17 s ILE 117 N -0.81 -0.53 -0.08 2.71 1.01 -1.26 -1.69 121.20 120.54 3g17 s ILE 117 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.92 3g17 s ILE 117 Cb -0.07 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3g17 s ILE 117 CO -0.14 -0.07 -0.05 -0.94 0.00 0.00 0.00 174.94 173.75 3g17 s SER 118 N 2.49 4.81 0.01 3.58 1.04 0.23 -4.86 113.70 121.00 3g17 s SER 118 Ca 0.07 0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.32 3g17 s SER 118 Cb -0.14 -1.32 0.06 0.00 0.10 0.00 0.00 66.02 64.71 3g17 s SER 118 CO -0.13 0.34 0.83 0.61 0.98 0.00 0.00 173.24 175.87 3g17 n GLY 119 N 2.38 0.43 3.13 7.32 0.00 -1.26 0.11 105.19 117.29 3g17 n GLY 119 Ca -0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 0.51 -0.15 1.61 -2.07 0.09 -4.91 119.66 112.72 3g17 s GLN 120 Ca 0.19 -0.35 -0.06 0.00 -1.82 0.00 0.00 55.36 53.33 3g17 s GLN 120 Cb -0.01 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 3g17 s GLN 120 CO 0.00 -0.12 0.04 0.21 -1.32 0.00 0.00 175.29 174.09 3g17 s LYS 121 N -1.33 3.69 -0.22 9.60 2.20 -1.26 -1.09 119.74 131.33 3g17 s LYS 121 Ca -0.14 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3g17 s LYS 121 Cb -0.07 -3.07 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 3g17 s LYS 121 CO 0.02 0.39 0.06 0.21 -0.36 0.00 0.00 175.35 175.67 3g17 s LYS 122 N 0.03 0.54 7.88 4.03 2.20 0.12 -4.99 119.74 129.56 3g17 s LYS 122 Ca 0.04 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 3g17 s LYS 122 Cb -0.12 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 3g17 s LYS 122 CO 0.01 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 3g17 n GLY 123 N 5.07 3.72 1.60 5.54 0.00 -1.26 -1.22 105.19 118.64 3g17 n GLY 123 Ca -0.07 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 7.42 4.75 -4.56 1.61 8.00 -1.26 -4.91 116.55 127.60 3g17 n ASP 124 Ca 0.00 -2.43 -0.36 0.00 0.71 0.00 0.00 54.79 52.71 3g17 n ASP 124 Cb 0.00 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.41 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 -1.82 4.77 -0.14 2.53 1.01 -0.36 -1.56 120.40 124.83 3g17 s VAL 125 Ca 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 3g17 s VAL 125 Cb 0.33 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3g17 s VAL 125 CO 0.25 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.96 3g17 s VAL 126 N 1.15 3.64 -0.19 2.92 1.01 0.18 0.14 120.40 129.25 3g17 s VAL 126 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3g17 s VAL 126 Cb -0.14 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.70 3g17 s VAL 126 CO 0.04 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 3g17 s THR 127 N 0.28 1.78 0.36 3.92 2.01 -0.25 -1.09 115.64 122.65 3g17 s THR 127 Ca -0.05 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 3g17 s THR 127 Cb -0.14 -1.75 -0.10 0.00 0.01 0.00 0.00 72.50 70.52 3g17 s THR 127 CO 0.04 0.32 0.98 -2.28 -0.69 0.00 0.00 174.62 172.98 3g17 s HIS 128 N 1.36 3.52 -0.06 4.92 2.46 -0.25 -0.74 115.29 126.51 3g17 s HIS 128 Ca 0.01 1.72 -0.09 0.00 0.47 0.00 0.00 55.06 57.18 3g17 s HIS 128 Cb -0.15 -2.99 -0.04 0.00 -0.13 0.00 0.00 32.58 29.28 3g17 s HIS 128 CO -0.10 -0.10 -0.18 1.19 -2.47 0.00 0.00 174.74 173.09 3g17 n PHE 129 N 0.27 0.00 -3.58 3.88 3.72 0.31 -3.70 117.46 118.36 3g17 n PHE 129 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 3g17 n PHE 129 Cb 0.50 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3g17 n PHE 129 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3g17 s ARG 130 N -2.42 0.98 0.03 -1.08 0.52 -1.10 -4.91 118.95 110.97 3g17 s ARG 130 Ca -0.15 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3g17 s ARG 130 Cb 0.03 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.96 3g17 s ARG 130 CO 0.22 -0.32 0.00 -0.25 0.02 0.00 0.00 175.30 174.97 3g17 n ASP 131 N 0.77 -0.48 -2.00 0.23 8.00 -1.26 -0.60 116.55 121.21 3g17 n ASP 131 Ca -0.19 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3g17 n ASP 131 Cb 0.58 0.54 0.03 0.00 -0.02 0.00 0.00 41.12 42.26 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 -1.63 0.12 -4.12 1.24 4.01 -1.18 -4.31 117.16 111.30 3g17 n TYR 132 Ca -0.00 -1.18 -0.34 0.00 -0.16 0.00 0.00 57.90 56.22 3g17 n TYR 132 Cb 0.03 0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.19 3.81 -0.13 -0.72 0.74 -0.68 -1.06 119.66 120.42 3g17 s GLN 133 Ca 0.23 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.29 3g17 s GLN 133 Cb 0.31 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 31.32 3g17 s GLN 133 CO -0.10 0.32 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.24 3g17 s LEU 134 N 0.20 2.16 -0.17 3.68 1.43 -0.19 -0.50 118.68 125.28 3g17 s LEU 134 Ca 0.03 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 3g17 s LEU 134 Cb -0.13 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3g17 s LEU 134 CO 0.01 0.10 0.06 -0.13 0.23 0.00 0.00 176.35 176.61 3g17 s ARG 135 N 0.71 3.91 0.02 1.70 0.52 -0.22 -0.89 118.95 124.70 3g17 s ARG 135 Ca -0.09 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3g17 s ARG 135 Cb -0.16 -3.18 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3g17 s ARG 135 CO 0.01 0.31 -0.04 0.42 0.02 0.00 0.00 175.30 176.02 3g17 s ILE 136 N 0.26 0.17 -0.20 1.52 1.01 -0.55 0.59 121.20 124.00 3g17 s ILE 136 Ca 0.03 -0.93 -0.39 0.00 0.00 0.00 0.00 60.65 59.36 3g17 s ILE 136 Cb -0.12 -0.30 -0.16 0.00 0.01 0.00 0.00 42.46 41.88 3g17 s ILE 136 CO 0.00 -0.48 1.67 1.67 0.00 0.00 0.00 174.94 177.80 3g17 n GLN 137 N 1.59 1.18 -1.93 2.79 -0.06 -1.26 -1.56 117.38 118.12 3g17 n GLN 137 Ca -0.24 0.43 -0.42 0.00 -2.00 0.00 0.00 57.00 54.77 3g17 n GLN 137 Cb 0.55 -2.11 -0.03 0.00 -4.06 0.00 0.00 30.24 24.59 3g17 n GLN 137 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3g17 s ASP 138 N 2.92 6.59 0.00 1.69 -1.08 -0.20 -4.74 116.67 121.85 3g17 s ASP 138 Ca 0.95 2.62 0.00 0.00 -0.52 0.00 0.00 52.55 55.60 3g17 s ASP 138 Cb -1.04 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 37.83 3g17 s ASP 138 CO 0.61 -0.82 0.00 -0.46 0.52 0.00 0.00 175.17 175.02 3g17 n ASN 139 N 3.96 0.00 0.00 -0.34 0.23 -1.26 -4.94 115.26 112.92 3g17 n ASN 139 Ca 0.14 -0.86 -0.17 0.00 -0.53 0.00 0.00 54.58 53.15 3g17 n ASN 139 Cb 0.38 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.97 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 0.04 -0.65 -2.53 0.00 -1.99 -1.93 119.26 114.21 3g17 h ALA 140 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3g17 h ALA 140 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3g17 h ALA 140 CO 0.00 0.29 0.22 -0.07 0.00 0.00 0.00 179.25 179.68 3g17 h LEU 141 N -0.26 0.93 -0.70 0.00 3.38 -1.97 -1.79 115.31 114.90 3g17 h LEU 141 Ca -0.07 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3g17 h LEU 141 Cb 1.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3g17 h LEU 141 CO 0.11 0.88 -0.54 0.71 0.09 0.00 0.00 178.44 179.69 3g17 h THR 142 N 0.93 1.35 -0.62 0.22 1.35 -1.86 -0.21 112.91 114.07 3g17 h THR 142 Ca 0.21 -1.82 -0.06 0.00 -0.55 0.00 0.00 66.41 64.19 3g17 h THR 142 Cb 0.28 1.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 3g17 h THR 142 CO -0.01 0.55 0.15 -0.09 -0.25 0.00 0.00 175.52 175.87 3g17 h ARG 143 N 0.24 1.00 -0.61 4.72 2.43 -1.27 0.97 114.38 121.85 3g17 h ARG 143 Ca 0.00 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3g17 h ARG 143 Cb 1.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 3g17 h ARG 143 CO 0.09 0.91 0.15 0.37 -1.51 0.00 0.00 179.97 179.98 3g17 h GLN 144 N 0.91 0.98 -0.64 0.20 4.15 -0.95 -2.15 115.11 117.62 3g17 h GLN 144 Ca 0.20 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3g17 h GLN 144 Cb 0.36 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 3g17 h GLN 144 CO 0.00 0.89 0.32 0.35 -1.93 0.00 0.00 178.83 178.47 3g17 h PHE 145 N 0.89 0.90 -0.52 3.99 3.57 -0.78 -1.77 116.94 123.22 3g17 h PHE 145 Ca 0.19 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3g17 h PHE 145 Cb 0.35 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3g17 h PHE 145 CO 0.03 0.67 0.29 -0.09 -2.23 0.00 0.00 178.31 176.97 3g17 h ARG 146 N 0.87 0.55 -0.25 1.11 2.43 -0.58 -2.38 114.38 116.14 3g17 h ARG 146 Ca 0.22 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3g17 h ARG 146 Cb 0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3g17 h ARG 146 CO -0.03 0.37 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.03 3g17 h ASP 147 N 0.57 0.54 -0.59 -3.80 5.19 -1.20 -2.68 116.42 114.45 3g17 h ASP 147 Ca 0.22 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3g17 h ASP 147 Cb 0.08 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 3g17 h ASP 147 CO -0.13 0.83 0.39 0.25 -3.12 0.00 0.00 179.24 177.47 3g17 h LEU 148 N 0.45 0.61 -0.63 1.55 5.85 -1.04 -2.90 115.31 119.20 3g17 h LEU 148 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3g17 h LEU 148 Cb 0.79 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3g17 h LEU 148 CO 0.06 0.42 0.00 0.52 -0.34 0.00 0.00 178.44 179.10 3g17 n VAL 149 N -4.46 0.00 0.32 1.05 0.31 -0.92 -4.51 118.33 110.12 3g17 n VAL 149 Ca 0.07 -0.16 0.20 0.00 -0.01 0.00 0.00 64.34 64.43 3g17 n VAL 149 Cb 0.13 0.15 1.09 0.00 -0.91 0.00 0.00 33.84 34.29 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 1.52 0.00 0.00 5.55 3.07 -1.45 0.35 115.11 124.15 3g17 h GLN 150 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g17 h GLN 150 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 3g17 h GLN 150 CO 0.00 0.00 -0.48 -0.44 0.09 0.00 0.00 178.83 178.00 3g17 h ASP 151 N 0.00 0.00 -4.04 0.06 5.19 -1.85 -3.46 116.42 112.31 3g17 h ASP 151 Ca 0.00 -0.08 -0.34 0.00 -0.62 0.00 0.00 57.03 55.99 3g17 h ASP 151 Cb 0.02 0.00 0.11 0.00 0.18 0.00 0.00 39.33 39.64 3g17 h ASP 151 CO -0.00 0.04 0.23 -1.54 -3.12 0.00 0.00 179.24 174.85 3g17 n SER 152 N -2.48 0.46 -0.65 6.45 3.41 0.12 -4.91 113.62 116.02 3g17 n SER 152 Ca 0.03 -1.57 0.11 0.00 -0.26 0.00 0.00 58.87 57.18 3g17 n SER 152 Cb 0.48 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 3g17 n SER 152 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3g17 n GLN 153 N -2.86 1.66 -2.37 4.33 7.27 -1.26 -4.93 117.38 119.22 3g17 n GLN 153 Ca 0.13 -1.33 -0.43 0.00 0.07 0.00 0.00 57.00 55.44 3g17 n GLN 153 Cb 0.45 -1.43 -0.02 0.00 2.41 0.00 0.00 30.24 31.65 3g17 n GLN 153 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3g17 s ILE 154 N -2.12 4.14 -0.49 1.69 -1.09 -1.26 -4.78 121.20 117.29 3g17 s ILE 154 Ca 0.21 1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 59.90 3g17 s ILE 154 Cb 0.17 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.21 3g17 s ILE 154 CO 0.42 -0.07 0.45 -0.62 -1.23 0.00 0.00 174.94 173.89 3g17 s ASP 155 N 1.93 6.16 -0.38 3.58 2.15 -0.23 -4.92 116.67 124.96 3g17 s ASP 155 Ca 0.58 -1.34 -0.19 0.00 0.43 0.00 0.00 52.55 52.03 3g17 s ASP 155 Cb -0.25 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 3g17 s ASP 155 CO 0.19 -0.72 0.54 -0.63 -0.17 0.00 0.00 175.17 174.38 3g17 s ILE 156 N 1.80 4.98 -0.31 4.11 -1.09 -1.26 -1.03 121.20 128.40 3g17 s ILE 156 Ca 0.06 0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.59 3g17 s ILE 156 Cb -0.24 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3g17 s ILE 156 CO 0.07 -0.34 0.13 -0.69 -1.23 0.00 0.00 174.94 172.88 3g17 s VAL 157 N 2.47 4.35 0.00 2.92 1.01 -0.07 -5.02 120.40 126.07 3g17 s VAL 157 Ca 0.19 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 3g17 s VAL 157 Cb -0.15 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 3g17 s VAL 157 CO 0.15 0.02 0.55 -0.76 0.00 0.00 0.00 175.10 175.06 3g17 s LEU 158 N 1.56 4.43 -0.05 3.92 1.43 -1.26 -1.48 118.68 127.24 3g17 s LEU 158 Ca 0.03 1.12 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 3g17 s LEU 158 Cb -0.17 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 3g17 s LEU 158 CO 0.05 0.16 -0.18 -0.70 0.23 0.00 0.00 176.35 175.91 3g17 s GLU 159 N -0.43 1.89 0.11 1.70 2.56 -0.60 -4.81 118.70 119.12 3g17 s GLU 159 Ca 0.29 -0.65 -0.16 0.00 0.00 0.00 0.00 54.97 54.45 3g17 s GLU 159 Cb -0.18 -1.63 -0.05 0.00 2.00 0.00 0.00 34.13 34.27 3g17 s GLU 159 CO 0.16 0.26 1.56 0.00 -0.56 0.00 0.00 175.26 176.68 3g17 h ALA 160 N 6.24 0.45 -3.17 6.30 0.00 -1.93 -0.51 119.26 126.64 3g17 h ALA 160 Ca -0.32 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 3g17 h ALA 160 Cb 1.17 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 18.47 3g17 h ALA 160 CO 0.48 0.20 -0.81 1.21 0.00 0.00 0.00 179.25 180.32 3g17 s ASN 161 N -6.07 2.29 0.00 0.00 3.84 -1.26 -4.80 114.94 108.95 3g17 s ASN 161 Ca -0.13 -0.35 0.27 0.00 0.21 0.00 0.00 52.86 52.86 3g17 s ASN 161 Cb 0.09 -0.91 0.80 0.00 -0.55 0.00 0.00 41.25 40.68 3g17 s ASN 161 CO 0.77 -0.11 1.59 0.00 -2.79 0.00 0.00 177.10 176.56 3g17 n ILE 162 N 4.91 0.00 0.04 -5.21 0.00 -1.26 -3.75 119.36 114.09 3g17 n ILE 162 Ca -0.13 -0.15 0.02 0.00 0.00 0.00 0.00 62.75 62.48 3g17 n ILE 162 Cb 0.50 0.43 0.37 0.00 0.00 0.00 0.00 39.64 40.94 3g17 n ILE 162 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3g17 h GLN 163 N 1.45 0.43 0.02 9.51 5.75 -1.96 -1.86 115.11 128.44 3g17 h GLN 163 Ca 0.00 -0.07 -0.25 0.00 -0.15 0.00 0.00 58.65 58.18 3g17 h GLN 163 Cb 0.51 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 29.00 3g17 h GLN 163 CO 0.00 0.43 -1.02 0.37 -2.65 0.00 0.00 178.83 175.96 3g17 h GLN 164 N 0.42 0.50 -0.42 1.69 4.15 -2.00 -1.82 115.11 117.63 3g17 h GLN 164 Ca 0.10 -0.57 -0.09 0.00 0.77 0.00 0.00 58.65 58.86 3g17 h GLN 164 Cb 0.22 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3g17 h GLN 164 CO 0.00 1.20 -0.12 0.00 -1.93 0.00 0.00 178.83 177.98 3g17 h ALA 165 N 0.60 1.00 -0.38 3.38 0.00 -1.72 -0.97 119.26 121.16 3g17 h ALA 165 Ca -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3g17 h ALA 165 Cb 1.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3g17 h ALA 165 CO 0.18 0.60 0.12 0.82 0.00 0.00 0.00 179.25 180.97 3g17 h ILE 166 N 0.68 1.21 -0.32 0.00 2.04 -1.20 -2.58 117.51 117.35 3g17 h ILE 166 Ca 0.11 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.12 3g17 h ILE 166 Cb 0.60 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3g17 h ILE 166 CO 0.04 0.25 -0.37 -0.50 0.00 0.00 0.00 178.15 177.56 3g17 h TRP 167 N 0.47 0.99 -0.07 1.37 4.06 -1.21 -0.23 115.95 121.32 3g17 h TRP 167 Ca 0.12 -0.31 0.04 0.00 2.06 0.00 0.00 58.89 60.80 3g17 h TRP 167 Cb 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.16 3g17 h TRP 167 CO 0.01 1.10 -0.26 -0.92 -3.56 0.00 0.00 178.44 174.81 3g17 h TYR 168 N 0.60 -0.70 -0.44 0.49 3.20 -1.13 -1.36 116.97 117.61 3g17 h TYR 168 Ca 0.04 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3g17 h TYR 168 Cb 0.96 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 3g17 h TYR 168 CO 0.07 -0.35 -0.12 -0.22 -1.64 0.00 0.00 178.16 175.91 3g17 h LYS 169 N -0.36 0.81 -0.78 1.82 3.64 -1.36 -0.41 116.57 119.92 3g17 h LYS 169 Ca 0.08 -0.27 0.18 0.00 -1.27 0.00 0.00 60.65 59.37 3g17 h LYS 169 Cb 0.48 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.11 3g17 h LYS 169 CO -0.28 0.89 0.06 -0.07 -2.27 0.00 0.00 179.45 177.77 3g17 h LEU 170 N 0.73 -0.26 -0.09 5.20 3.38 -0.84 -0.01 115.31 123.42 3g17 h LEU 170 Ca 0.12 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3g17 h LEU 170 Cb 0.61 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3g17 h LEU 170 CO 0.04 -0.17 -0.07 -0.07 0.09 0.00 0.00 178.44 178.27 3g17 h LEU 171 N 0.13 0.21 -0.68 1.67 4.07 0.02 0.18 115.31 120.93 3g17 h LEU 171 Ca 0.44 -0.45 0.14 0.00 0.08 0.00 0.00 57.88 58.08 3g17 h LEU 171 Cb 0.80 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.38 3g17 h LEU 171 CO -0.66 0.62 0.16 0.58 -1.08 0.00 0.00 178.44 178.07 3g17 h VAL 172 N -0.19 0.58 0.05 1.22 2.07 -0.97 -1.89 116.25 117.11 3g17 h VAL 172 Ca 0.02 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3g17 h VAL 172 Cb 0.55 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3g17 h VAL 172 CO 0.02 0.05 -0.02 0.78 0.02 0.00 0.00 177.57 178.42 3g17 h ASN 173 N 0.28 -0.05 -0.70 0.57 2.35 -0.82 -3.32 115.58 113.88 3g17 h ASN 173 Ca 0.37 -0.17 0.15 0.00 -0.55 0.00 0.00 56.30 56.10 3g17 h ASN 173 Cb 0.58 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.84 3g17 h ASN 173 CO -0.45 0.13 -0.12 0.25 -1.65 0.00 0.00 177.43 175.59 3g17 h LEU 174 N -0.24 -0.56 0.00 1.61 5.85 0.14 -0.25 115.31 121.86 3g17 h LEU 174 Ca -0.01 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3g17 h LEU 174 Cb 0.22 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3g17 h LEU 174 CO 0.01 -0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 3g17 n GLY 175 N -1.45 -1.79 0.18 3.75 0.00 -0.91 -2.89 105.19 102.09 3g17 n GLY 175 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 1.19 -0.69 -0.61 6.09 -1.65 -2.25 117.51 119.60 3g17 h ILE 176 Ca 0.00 -0.60 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 3g17 h ILE 176 Cb 0.00 0.92 -0.03 0.00 0.47 0.00 0.00 36.82 38.17 3g17 h ILE 176 CO 0.00 0.21 0.40 0.78 -3.07 0.00 0.00 178.15 176.47 3g17 h ASN 177 N 0.44 0.83 -0.19 2.19 2.35 -1.22 -0.01 115.58 119.96 3g17 h ASN 177 Ca 0.12 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3g17 h ASN 177 Cb 0.20 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3g17 h ASN 177 CO -0.01 0.65 -0.13 0.28 -1.65 0.00 0.00 177.43 176.56 3g17 h SER 178 N 0.95 0.45 -0.19 5.81 0.02 -1.37 -1.90 113.55 117.32 3g17 h SER 178 Ca 0.25 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3g17 h SER 178 Cb -0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3g17 h SER 178 CO -0.04 0.80 -0.08 0.40 -1.14 0.00 0.00 176.83 176.77 3g17 h ILE 179 N 0.10 1.30 -0.41 3.27 5.03 -1.03 -0.78 117.51 125.00 3g17 h ILE 179 Ca 0.04 -1.11 -0.13 0.00 -0.12 0.00 0.00 64.86 63.53 3g17 h ILE 179 Cb 0.65 1.64 -0.01 0.00 -3.03 0.00 0.00 36.82 36.07 3g17 h ILE 179 CO 0.04 0.33 -0.27 0.71 -0.68 0.00 0.00 178.15 178.28 3g17 h THR 180 N 0.08 1.28 0.11 -0.27 1.35 -1.08 0.24 112.91 114.61 3g17 h THR 180 Ca 0.04 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3g17 h THR 180 Cb 0.55 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3g17 h THR 180 CO 0.02 0.48 -0.05 0.00 -0.25 0.00 0.00 175.52 175.72 3g17 h ALA 181 N 0.80 -0.15 -0.25 6.62 0.00 -1.35 0.18 119.26 125.11 3g17 h ALA 181 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3g17 h ALA 181 Cb 0.84 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3g17 h ALA 181 CO 0.07 -0.45 -0.30 -0.07 0.00 0.00 0.00 179.25 178.51 3g17 h LEU 182 N -0.42 0.53 -1.65 0.00 3.38 -1.17 -2.56 115.31 113.41 3g17 h LEU 182 Ca -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3g17 h LEU 182 Cb 0.35 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g17 h LEU 182 CO 0.02 0.80 -0.02 1.23 0.09 0.00 0.00 178.44 180.57 3g17 h GLY 183 N 1.04 0.00 -5.97 0.83 0.00 -0.46 -3.47 103.07 95.04 3g17 h GLY 183 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.97 3g17 h GLY 183 CO 0.06 0.00 -0.72 0.54 0.00 0.00 0.00 176.54 176.42 3g17 n ARG 184 N -3.13 -6.96 -3.87 4.80 3.00 0.57 -4.98 116.66 106.08 3g17 n ARG 184 Ca 0.00 0.75 -0.11 0.00 -0.01 0.00 0.00 57.85 58.49 3g17 n ARG 184 Cb 0.28 -5.73 -0.09 0.00 0.00 0.00 0.00 32.46 26.92 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 -6.28 0.58 1.22 5.56 -0.21 -0.83 -5.05 119.66 114.65 3g17 s GLN 185 Ca 0.51 -0.56 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 3g17 s GLN 185 Cb -0.24 0.24 0.30 0.00 1.00 0.00 0.00 33.01 34.31 3g17 s GLN 185 CO 0.76 -0.15 1.12 0.95 -2.12 0.00 0.00 175.29 175.85 3g17 s THR 186 N -2.07 1.56 0.61 -0.19 -4.23 -1.26 -4.47 115.64 105.59 3g17 s THR 186 Ca -0.09 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.63 3g17 s THR 186 Cb -0.04 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.51 3g17 s THR 186 CO -0.02 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.29 3g17 h VAL 187 N -2.64 0.00 -0.99 2.29 2.07 -1.10 -2.07 116.25 113.82 3g17 h VAL 187 Ca -0.43 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.36 3g17 h VAL 187 Cb 1.29 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3g17 h VAL 187 CO 0.31 0.00 0.69 0.00 0.02 0.00 0.00 177.57 178.59 3g17 h ALA 188 N 1.00 2.73 -0.42 1.67 0.00 -1.56 -0.95 119.26 121.73 3g17 h ALA 188 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3g17 h ALA 188 Cb 0.98 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3g17 h ALA 188 CO 0.00 -1.03 0.36 0.97 0.00 0.00 0.00 179.25 179.55 3g17 h ILE 189 N 0.12 0.56 0.00 0.00 2.10 -1.69 -0.09 117.51 118.51 3g17 h ILE 189 Ca 0.49 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.43 3g17 h ILE 189 Cb 1.73 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3g17 h ILE 189 CO -0.07 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.23 3g17 n MET 190 N -4.04 0.38 0.20 2.19 2.81 -0.36 -1.75 117.12 116.53 3g17 n MET 190 Ca 0.07 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.03 3g17 n MET 190 Cb 0.55 -1.43 0.35 0.00 -0.71 0.00 0.00 33.22 31.98 3g17 n MET 190 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3g17 h HIS 191 N 0.00 0.00 -2.87 2.03 3.86 -1.22 -3.43 115.15 113.52 3g17 h HIS 191 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3g17 h HIS 191 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3g17 h HIS 191 CO 0.00 0.33 1.01 -0.80 0.86 0.00 0.00 177.93 179.33 3g17 s ASN 192 N -6.36 6.68 0.37 2.45 0.01 -0.72 -4.93 114.94 112.45 3g17 s ASN 192 Ca 0.01 1.66 0.06 0.00 -0.71 0.00 0.00 52.86 53.88 3g17 s ASN 192 Cb 0.10 -2.54 0.75 0.00 0.41 0.00 0.00 41.25 39.98 3g17 s ASN 192 CO 0.67 -0.99 2.00 1.55 -1.51 0.00 0.00 177.10 178.82 3g17 h PRO 193 N 9.35 0.70 -0.40 -0.60 0.13 -1.89 -1.35 132.00 137.94 3g17 h PRO 193 Ca -0.31 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 3g17 h PRO 193 Cb 1.13 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 3g17 h PRO 193 CO 0.99 0.46 0.05 0.93 -0.23 0.00 0.00 178.00 180.21 3g17 h GLU 194 N 0.72 0.61 -0.42 0.86 3.07 -1.96 -1.03 114.58 116.44 3g17 h GLU 194 Ca 0.25 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.87 3g17 h GLU 194 Cb 0.11 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3g17 h GLU 194 CO -0.07 0.59 -0.21 0.82 -1.40 0.00 0.00 179.01 178.74 3g17 h ILE 195 N 0.59 1.28 -0.42 3.13 1.08 -1.58 -0.89 117.51 120.70 3g17 h ILE 195 Ca 0.13 -1.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.19 3g17 h ILE 195 Cb 0.29 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3g17 h ILE 195 CO 0.00 0.46 0.04 0.03 -0.69 0.00 0.00 178.15 177.99 3g17 h ARG 196 N 0.70 0.66 -0.16 2.37 3.08 -1.06 0.12 114.38 120.08 3g17 h ARG 196 Ca 0.09 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3g17 h ARG 196 Cb 0.77 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3g17 h ARG 196 CO 0.06 0.65 -0.05 0.82 -1.07 0.00 0.00 179.97 180.39 3g17 h ILE 197 N 0.63 1.30 -0.77 2.04 2.04 -1.00 -1.77 117.51 119.99 3g17 h ILE 197 Ca 0.13 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 65.01 3g17 h ILE 197 Cb 0.34 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3g17 h ILE 197 CO 0.01 0.31 0.47 0.25 0.00 0.00 0.00 178.15 179.18 3g17 h LEU 198 N -0.00 0.73 0.05 1.44 5.85 -1.02 0.06 115.31 122.42 3g17 h LEU 198 Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3g17 h LEU 198 Cb 0.50 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3g17 h LEU 198 CO 0.02 0.48 -0.11 0.00 -0.34 0.00 0.00 178.44 178.48 3g17 h ARG 200 N -0.22 -0.11 -0.89 0.00 2.43 -0.96 -0.52 114.38 114.11 3g17 h ARG 200 Ca 0.03 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3g17 h ARG 200 Cb 0.24 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3g17 h ARG 200 CO -0.08 -0.08 0.58 1.96 -1.51 0.00 0.00 179.97 180.85 3g17 h GLN 201 N -0.12 1.03 -0.20 0.20 1.08 -0.64 -0.12 115.11 116.34 3g17 h GLN 201 Ca 0.08 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3g17 h GLN 201 Cb 0.23 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3g17 h GLN 201 CO -0.19 0.68 -0.57 1.25 -0.95 0.00 0.00 178.83 179.05 3g17 h LEU 202 N 1.06 0.72 -0.82 1.46 5.85 -0.50 -1.13 115.31 121.95 3g17 h LEU 202 Ca 0.37 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3g17 h LEU 202 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3g17 h LEU 202 CO -0.12 1.14 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.61 3g17 h LEU 203 N 0.49 0.36 -0.89 2.25 3.38 -0.06 -2.47 115.31 118.37 3g17 h LEU 203 Ca 0.00 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3g17 h LEU 203 Cb 1.14 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3g17 h LEU 203 CO 0.11 0.75 -0.12 -0.07 0.09 0.00 0.00 178.44 179.20 3g17 h LEU 204 N 0.28 0.68 -0.46 1.67 3.38 -0.73 -0.59 115.31 119.53 3g17 h LEU 204 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3g17 h LEU 204 Cb 0.88 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3g17 h LEU 204 CO 0.07 0.83 0.30 0.44 0.09 0.00 0.00 178.44 180.17 3g17 h ASP 205 N 0.63 0.54 -0.54 -0.43 5.19 -0.97 -2.25 116.42 118.58 3g17 h ASP 205 Ca 0.11 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3g17 h ASP 205 Cb 0.57 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 3g17 h ASP 205 CO 0.04 0.40 0.33 1.23 -3.12 0.00 0.00 179.24 178.12 3g17 h GLY 206 N 0.63 0.76 0.49 2.75 0.00 -1.02 -2.67 103.07 104.02 3g17 h GLY 206 Ca 0.17 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.34 3g17 h GLY 206 CO -0.04 0.22 0.40 0.00 0.00 0.00 0.00 176.54 177.12 3g17 h ARG 208 N 0.68 0.37 -0.35 0.00 3.08 -1.15 0.15 114.38 117.16 3g17 h ARG 208 Ca 0.37 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 3g17 h ARG 208 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3g17 h ARG 208 CO -0.26 0.65 -0.42 0.28 -1.07 0.00 0.00 179.97 179.16 3g17 h VAL 209 N 0.32 1.28 -0.82 2.04 2.07 -1.14 -1.99 116.25 118.01 3g17 h VAL 209 Ca 0.04 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 3g17 h VAL 209 Cb 0.73 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3g17 h VAL 209 CO 0.06 0.53 0.37 0.00 0.02 0.00 0.00 177.57 178.54 3g17 h ALA 210 N 0.81 1.06 -0.18 1.67 0.00 -0.45 -1.87 119.26 120.31 3g17 h ALA 210 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3g17 h ALA 210 Cb 1.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3g17 h ALA 210 CO 0.10 0.65 0.03 1.96 0.00 0.00 0.00 179.25 181.98 3g17 h GLN 211 N 1.17 0.29 -0.25 0.00 4.20 -0.63 -0.38 115.11 119.51 3g17 h GLN 211 Ca 0.28 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.98 3g17 h GLN 211 Cb 0.16 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3g17 h GLN 211 CO -0.03 0.46 0.25 0.00 -0.67 0.00 0.00 178.83 178.83 3g17 h ALA 212 N 0.82 1.97 -0.32 3.87 0.00 -1.21 0.15 119.26 124.54 3g17 h ALA 212 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g17 h ALA 212 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3g17 h ALA 212 CO 0.00 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.27 3g17 n GLU 213 N -3.93 1.93 -0.28 0.00 -0.58 -0.71 -4.92 120.64 112.15 3g17 n GLU 213 Ca 0.03 -1.43 0.00 0.00 -0.42 0.00 0.00 57.16 55.34 3g17 n GLU 213 Cb 0.39 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 1.19 0.85 3.84 0.62 0.00 0.53 -5.06 105.19 107.17 3g17 n GLY 214 Ca 0.15 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 4.35 -1.34 0.99 1.02 -0.21 -4.99 118.68 118.50 3g17 s LEU 215 Ca 0.00 0.47 -0.07 0.00 0.02 0.00 0.00 54.13 54.55 3g17 s LEU 215 Cb 0.00 -2.14 0.12 0.00 0.02 0.00 0.00 46.19 44.18 3g17 s LEU 215 CO 0.00 0.34 2.25 -0.46 0.02 0.00 0.00 176.35 178.50 3g17 n ASN 216 N 2.36 6.94 -4.90 2.29 0.23 -1.26 -3.67 115.26 117.25 3g17 n ASN 216 Ca -0.18 -3.07 -0.28 0.00 -0.53 0.00 0.00 54.58 50.52 3g17 n ASN 216 Cb 0.54 -1.43 -0.02 0.00 -2.08 0.00 0.00 39.78 36.79 3g17 n ASN 216 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3g17 s PHE 217 N -0.18 3.50 0.34 -2.53 0.08 -1.26 -5.05 117.98 112.88 3g17 s PHE 217 Ca 0.50 0.76 -0.05 0.00 0.12 0.00 0.00 56.93 58.27 3g17 s PHE 217 Cb 0.15 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3g17 s PHE 217 CO -0.06 -0.04 0.50 -1.54 -0.10 0.00 0.00 175.22 173.99 3g17 s SER 218 N -3.54 0.74 0.46 1.36 1.04 -1.26 -4.89 113.70 107.61 3g17 s SER 218 Ca 0.46 -1.41 0.18 0.00 0.48 0.00 0.00 55.95 55.67 3g17 s SER 218 Cb -0.10 0.67 1.15 0.00 0.10 0.00 0.00 66.02 67.84 3g17 s SER 218 CO 0.35 -1.32 1.96 -0.33 0.98 0.00 0.00 173.24 174.88 3g17 h GLU 219 N 2.12 0.28 -0.53 4.02 4.39 -2.00 -0.84 114.58 122.01 3g17 h GLU 219 Ca -0.29 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 3g17 h GLU 219 Cb 1.24 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 3g17 h GLU 219 CO 0.39 0.18 -0.05 0.37 -1.16 0.00 0.00 179.01 178.74 3g17 h GLN 220 N 0.29 0.95 -0.65 2.33 -0.00 -1.99 -2.24 115.11 113.79 3g17 h GLN 220 Ca 0.31 -0.31 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 3g17 h GLN 220 Cb 0.83 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.19 3g17 h GLN 220 CO -0.07 0.97 0.43 1.15 0.00 0.00 0.00 178.83 181.30 3g17 h THR 221 N 0.86 1.16 -0.49 2.39 2.02 -1.55 -1.73 112.91 115.56 3g17 h THR 221 Ca 0.15 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3g17 h THR 221 Cb 0.58 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3g17 h THR 221 CO 0.04 0.16 0.31 0.58 0.37 0.00 0.00 175.52 176.98 3g17 h VAL 222 N 0.87 1.09 -0.22 3.16 2.07 -1.28 -1.91 116.25 120.04 3g17 h VAL 222 Ca 0.24 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3g17 h VAL 222 Cb -0.09 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3g17 h VAL 222 CO -0.06 0.12 0.04 0.44 0.02 0.00 0.00 177.57 178.13 3g17 h ASP 223 N 0.63 0.28 -0.25 0.57 3.32 -1.04 0.12 116.42 120.05 3g17 h ASP 223 Ca 0.19 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3g17 h ASP 223 Cb -0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3g17 h ASP 223 CO -0.06 0.30 -0.20 0.71 -1.72 0.00 0.00 179.24 178.27 3g17 h THR 224 N 0.30 1.31 -0.38 0.35 1.35 -0.61 -2.07 112.91 113.16 3g17 h THR 224 Ca 0.07 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 3g17 h THR 224 Cb 0.15 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3g17 h THR 224 CO -0.00 0.42 0.18 0.40 -0.25 0.00 0.00 175.52 176.27 3g17 h ILE 225 N 0.29 1.17 -0.07 6.82 2.04 -1.06 -1.08 117.51 125.63 3g17 h ILE 225 Ca 0.05 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3g17 h ILE 225 Cb 0.74 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3g17 h ILE 225 CO 0.05 0.18 -0.03 0.24 0.00 0.00 0.00 178.15 178.59 3g17 h MET 226 N 0.47 0.09 -0.24 2.37 2.86 -0.75 -1.67 114.93 118.07 3g17 h MET 226 Ca 0.13 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 3g17 h MET 226 Cb 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3g17 h MET 226 CO -0.02 0.13 -0.56 1.15 1.06 0.00 0.00 176.91 178.67 3g17 h THR 227 N 0.09 1.29 -0.25 2.22 2.02 -0.59 -2.56 112.91 115.13 3g17 h THR 227 Ca 0.02 -1.77 0.05 0.00 0.77 0.00 0.00 66.41 65.48 3g17 h THR 227 Cb 0.11 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3g17 h THR 227 CO 0.00 0.57 -0.08 0.40 0.37 0.00 0.00 175.52 176.78 3g17 h ILE 228 N 0.57 0.71 -0.86 3.11 2.04 -0.36 -2.93 117.51 119.78 3g17 h ILE 228 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3g17 h ILE 228 Cb 1.15 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3g17 h ILE 228 CO 0.12 0.00 0.57 1.88 0.00 0.00 0.00 178.15 180.71 3g17 h TYR 229 N -0.03 1.00 -0.18 1.37 0.99 -1.11 -1.05 116.97 117.96 3g17 h TYR 229 Ca 0.12 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.88 3g17 h TYR 229 Cb 0.22 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.61 3g17 h TYR 229 CO -0.27 0.55 0.12 1.96 -0.00 0.00 0.00 178.16 180.52 3g17 h GLN 230 N 1.01 0.22 0.00 4.88 4.20 -1.27 -1.92 115.11 122.23 3g17 h GLN 230 Ca 0.36 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3g17 h GLN 230 Cb 0.14 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3g17 h GLN 230 CO -0.12 0.14 0.00 0.78 -0.67 0.00 0.00 178.83 178.96 3g17 h GLY 231 N 0.23 0.00 -4.16 3.46 0.00 -1.16 -3.45 103.07 98.00 3g17 h GLY 231 Ca 0.07 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.88 3g17 h GLY 231 CO -0.01 0.00 0.56 -0.19 0.00 0.00 0.00 176.54 176.89 3g17 s TYR 232 N -3.73 3.43 0.57 5.60 2.02 -0.72 -5.02 117.35 119.49 3g17 s TYR 232 Ca 0.00 1.42 -0.20 0.00 -0.37 0.00 0.00 57.07 57.92 3g17 s TYR 232 Cb 0.10 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 38.19 3g17 s TYR 232 CO 0.51 -1.20 1.29 -1.25 -1.57 0.00 0.00 175.55 173.32 3g17 s PRO 233 N -0.24 3.05 0.39 -1.71 0.04 -1.26 -4.94 135.00 130.34 3g17 s PRO 233 Ca 0.53 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.78 3g17 s PRO 233 Cb -0.33 -2.11 1.04 0.00 0.04 0.00 0.00 34.50 33.15 3g17 s PRO 233 CO 0.37 -1.20 1.81 -0.44 0.04 0.00 0.00 177.00 177.57 3g17 h ASP 234 N 1.20 0.48 0.59 6.66 3.32 -1.95 -2.66 116.42 124.07 3g17 h ASP 234 Ca -0.51 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3g17 h ASP 234 Cb 1.30 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3g17 h ASP 234 CO 0.56 0.15 -0.11 -0.62 -1.72 0.00 0.00 179.24 177.50 3g17 n GLU 235 N -4.59 0.35 -1.97 3.56 4.71 -1.26 -1.54 120.64 119.89 3g17 n GLU 235 Ca 0.23 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.87 3g17 n GLU 235 Cb 0.76 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.67 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 -2.71 4.24 0.48 3.49 1.75 -1.00 -4.81 119.30 120.73 3g17 s MET 236 Ca 0.22 2.34 0.08 0.00 -1.25 0.00 0.00 55.69 57.08 3g17 s MET 236 Cb 0.19 -3.12 0.04 0.00 2.84 0.00 0.00 34.83 34.78 3g17 s MET 236 CO 0.52 -0.50 0.66 0.20 -0.65 0.00 0.00 175.02 175.25 3g17 s GLY 237 N 0.62 1.88 0.34 2.11 0.00 -1.26 -1.22 107.32 109.78 3g17 s GLY 237 Ca 0.63 -1.76 0.09 0.00 0.00 0.00 0.00 44.72 43.68 3g17 s GLY 237 CO 0.40 -1.49 -0.03 -0.51 0.00 0.00 0.00 173.10 171.47 3g17 s THR 238 N -2.50 2.53 0.42 0.90 -4.23 -1.26 -4.95 115.64 106.55 3g17 s THR 238 Ca 0.57 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 3g17 s THR 238 Cb -0.09 -2.74 0.20 0.00 1.34 0.00 0.00 72.50 71.22 3g17 s THR 238 CO 0.35 -0.21 1.99 0.77 -0.54 0.00 0.00 174.62 176.98 3g17 h SER 239 N 1.89 0.23 0.09 3.99 4.64 -1.99 -0.91 113.55 121.49 3g17 h SER 239 Ca -0.42 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 3g17 h SER 239 Cb 1.25 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3g17 h SER 239 CO 0.67 0.30 -0.68 -0.03 -0.87 0.00 0.00 176.83 176.23 3g17 h MET 240 N 0.25 0.54 -0.33 4.77 1.85 -1.96 -1.45 114.93 118.59 3g17 h MET 240 Ca 0.06 -0.40 -0.02 0.00 -0.61 0.00 0.00 59.70 58.73 3g17 h MET 240 Cb 0.21 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 3g17 h MET 240 CO 0.01 1.03 0.14 -0.92 -0.40 0.00 0.00 176.91 176.77 3g17 h TYR 241 N 0.38 0.50 -0.60 1.39 3.20 -1.73 0.72 116.97 120.83 3g17 h TYR 241 Ca -0.02 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.83 3g17 h TYR 241 Cb 1.25 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3g17 h TYR 241 CO 0.05 0.46 0.38 1.88 -1.64 0.00 0.00 178.16 179.30 3g17 h TYR 242 N 0.39 0.72 -0.35 -3.82 0.05 -1.13 0.07 116.97 112.90 3g17 h TYR 242 Ca 0.11 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3g17 h TYR 242 Cb 0.16 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3g17 h TYR 242 CO -0.01 0.44 0.15 -0.44 -1.05 0.00 0.00 178.16 177.25 3g17 h ASP 243 N 0.77 0.48 -0.47 3.88 3.32 -1.08 0.14 116.42 123.47 3g17 h ASP 243 Ca 0.23 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3g17 h ASP 243 Cb -0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3g17 h ASP 243 CO -0.07 0.50 -0.10 -0.29 -1.72 0.00 0.00 179.24 177.56 3g17 h ILE 244 N 0.43 1.26 -0.07 0.35 2.10 -0.54 0.82 117.51 121.87 3g17 h ILE 244 Ca 0.12 -1.22 -0.15 0.00 1.08 0.00 0.00 64.86 64.68 3g17 h ILE 244 Cb 0.16 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 36.86 3g17 h ILE 244 CO -0.01 0.43 -0.63 0.58 -1.08 0.00 0.00 178.15 177.44 3g17 h VAL 245 N 0.84 1.39 -0.42 2.19 2.07 -0.80 -2.65 116.25 118.88 3g17 h VAL 245 Ca 0.14 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3g17 h VAL 245 Cb 0.63 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3g17 h VAL 245 CO 0.04 0.60 0.00 1.41 0.02 0.00 0.00 177.57 179.64 3g17 n HIS 246 N -3.86 0.77 -3.60 1.57 8.25 0.49 -4.92 115.22 113.92 3g17 n HIS 246 Ca -0.03 -0.33 -0.26 0.00 -0.26 0.00 0.00 57.72 56.84 3g17 n HIS 246 Cb 0.63 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.69 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 0.68 -5.88 -3.18 -0.41 6.02 -0.62 -5.00 117.38 109.00 3g17 n GLN 247 Ca 0.15 0.71 -0.18 0.00 -0.01 0.00 0.00 57.00 57.67 3g17 n GLN 247 Cb 0.49 -5.62 0.01 0.00 1.02 0.00 0.00 30.24 26.14 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 -6.30 2.95 0.77 -1.09 -1.52 0.19 -5.02 119.66 109.63 3g17 s GLN 248 Ca 0.55 -1.07 -0.11 0.00 -1.95 0.00 0.00 55.36 52.79 3g17 s GLN 248 Cb -0.26 -2.76 0.06 0.00 -0.22 0.00 0.00 33.01 29.83 3g17 s GLN 248 CO 0.68 -0.16 1.09 -1.25 -0.25 0.00 0.00 175.29 175.40 3g17 s PRO 249 N -4.32 2.25 0.37 2.91 0.04 -1.26 -4.53 135.00 130.46 3g17 s PRO 249 Ca 0.51 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.74 3g17 s PRO 249 Cb -0.10 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3g17 s PRO 249 CO 0.33 -1.63 0.39 -0.51 0.04 0.00 0.00 177.00 175.62 3g17 s LEU 250 N -5.91 3.64 -0.14 -3.56 1.43 -1.26 -4.88 118.68 108.00 3g17 s LEU 250 Ca 0.61 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3g17 s LEU 250 Cb -0.17 -2.35 0.39 0.00 0.03 0.00 0.00 46.19 44.09 3g17 s LEU 250 CO 0.56 -0.50 1.18 -0.62 0.23 0.00 0.00 176.35 177.20 3g17 n GLU 251 N -1.54 2.67 -0.21 1.70 1.02 -1.26 -4.69 120.64 118.33 3g17 n GLU 251 Ca 0.01 -1.54 0.02 0.00 -0.02 0.00 0.00 57.16 55.63 3g17 n GLU 251 Cb 0.60 -1.82 0.12 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.68 0.52 -0.63 2.62 3.04 -1.96 -2.69 116.25 118.83 3g17 h VAL 252 Ca 0.06 -0.06 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 3g17 h VAL 252 Cb 1.37 0.33 -0.07 0.00 -2.01 0.00 0.00 31.29 30.91 3g17 h VAL 252 CO 0.30 0.03 0.28 -0.33 -1.01 0.00 0.00 177.57 176.85 3g17 h GLU 253 N 0.18 0.48 0.00 4.17 4.39 -1.95 0.66 114.58 122.51 3g17 h GLU 253 Ca 0.34 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3g17 h GLU 253 Cb 0.56 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3g17 h GLU 253 CO -0.50 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 177.67 3g17 n ALA 254 N -2.42 2.42 -2.00 3.43 0.00 -1.02 -0.24 120.51 120.68 3g17 n ALA 254 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3g17 n ALA 254 Cb 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.32 0.00 -0.33 0.00 5.41 -0.52 -1.20 119.36 121.40 3g17 n ILE 255 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.84 3g17 n ILE 255 Cb 0.25 -0.09 0.09 0.00 -0.71 0.00 0.00 39.64 39.18 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 1.22 -0.31 0.38 7.50 -1.50 -1.84 115.11 120.56 3g17 h GLN 256 Ca 0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 58.65 59.02 3g17 h GLN 256 Cb 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.27 3g17 h GLN 256 CO 0.00 0.88 0.19 0.78 -1.50 0.00 0.00 178.83 179.18 3g17 h GLY 257 N 1.23 0.46 0.53 3.46 0.00 -0.97 0.14 103.07 107.91 3g17 h GLY 257 Ca 0.32 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3g17 h GLY 257 CO -0.05 0.18 -0.36 -2.75 0.00 0.00 0.00 176.54 173.56 3g17 h PHE 258 N 0.40 -0.97 -0.74 5.60 3.57 -0.25 0.14 116.94 124.70 3g17 h PHE 258 Ca 0.11 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3g17 h PHE 258 Cb 0.01 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3g17 h PHE 258 CO -0.04 -0.49 0.43 0.82 -2.23 0.00 0.00 178.31 176.80 3g17 h ILE 259 N -0.68 0.99 0.11 1.41 2.04 -1.21 -1.39 117.51 118.78 3g17 h ILE 259 Ca -0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3g17 h ILE 259 Cb 0.65 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3g17 h ILE 259 CO -0.12 0.14 -0.06 0.22 0.00 0.00 0.00 178.15 178.34 3g17 h TYR 260 N 0.79 -0.16 -0.73 1.37 5.03 -0.36 -1.15 116.97 121.76 3g17 h TYR 260 Ca 0.33 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 3g17 h TYR 260 Cb 0.18 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 3g17 h TYR 260 CO -0.06 -0.10 0.38 0.00 -1.32 0.00 0.00 178.16 177.06 3g17 h ARG 261 N -0.16 1.02 0.00 1.82 3.08 -0.66 -0.81 114.38 118.66 3g17 h ARG 261 Ca -0.01 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3g17 h ARG 261 Cb 0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3g17 h ARG 261 CO 0.01 0.76 -0.13 0.00 -1.07 0.00 0.00 179.97 179.54 3g17 h ARG 262 N 1.02 0.00 0.14 0.04 2.47 -0.96 -1.90 114.38 115.19 3g17 h ARG 262 Ca 0.26 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.69 3g17 h ARG 262 Cb 0.05 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3g17 h ARG 262 CO -0.04 0.13 -1.31 0.00 0.56 0.00 0.00 179.97 179.31 3g17 h ALA 263 N 1.87 0.09 0.00 0.04 0.00 0.09 -2.89 119.26 118.46 3g17 h ALA 263 Ca -0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 54.91 53.90 3g17 h ALA 263 Cb 0.55 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3g17 h ALA 263 CO 0.02 0.96 -0.44 0.00 0.00 0.00 0.00 179.25 179.79 3g17 h ARG 264 N 0.08 0.00 -0.15 0.00 -0.00 -0.90 0.18 114.38 113.59 3g17 h ARG 264 Ca -0.16 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.20 3g17 h ARG 264 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.97 3g17 h ARG 264 CO 0.21 0.44 -0.34 1.49 0.00 0.00 0.00 179.97 181.76 3g17 h GLU 265 N 0.00 0.50 -0.07 0.04 4.57 -1.33 -2.45 114.58 115.84 3g17 h GLU 265 Ca -0.00 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3g17 h GLU 265 Cb 0.92 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3g17 h GLU 265 CO 0.06 0.95 0.00 0.72 -1.18 0.00 0.00 179.01 179.55 3g17 n HIS 266 N -4.34 0.09 -3.70 0.92 8.25 -1.10 -4.94 115.22 110.41 3g17 n HIS 266 Ca -0.07 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.13 3g17 n HIS 266 Cb 0.50 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.64 3g17 n HIS 266 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3g17 n ASN 267 N -0.36 -1.71 -4.95 0.41 4.05 -0.81 -4.98 115.26 106.92 3g17 n ASN 267 Ca 0.08 -0.85 -0.23 0.00 0.45 0.00 0.00 54.58 54.03 3g17 n ASN 267 Cb 0.10 -3.96 0.00 0.00 1.23 0.00 0.00 39.78 37.15 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3g17 s LEU 268 N -6.62 3.75 -0.41 1.20 1.43 0.56 -5.01 118.68 113.57 3g17 s LEU 268 Ca 0.07 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3g17 s LEU 268 Cb -0.02 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3g17 s LEU 268 CO 0.82 -0.58 0.36 -0.62 0.23 0.00 0.00 176.35 176.55 3g17 s ASP 269 N -4.16 6.15 -0.48 2.29 2.15 -1.26 -4.82 116.67 116.53 3g17 s ASP 269 Ca 0.46 -0.80 0.07 0.00 0.43 0.00 0.00 52.55 52.71 3g17 s ASP 269 Cb -0.10 -2.19 0.23 0.00 -0.30 0.00 0.00 42.92 40.57 3g17 s ASP 269 CO 0.38 -0.50 0.56 0.35 -0.17 0.00 0.00 175.17 175.78 3g17 n THR 270 N 5.27 0.21 0.20 1.71 -2.24 -1.26 -4.99 114.28 113.19 3g17 n THR 270 Ca -0.09 -4.32 0.08 0.00 -2.27 0.00 0.00 64.05 57.45 3g17 n THR 270 Cb 0.47 -1.97 0.30 0.00 -2.10 0.00 0.00 70.33 67.03 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 4.35 0.00 0.10 -0.78 0.13 -1.98 -0.53 132.00 133.30 3g17 h PRO 271 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 3g17 h PRO 271 Cb 0.82 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.96 3g17 h PRO 271 CO 0.57 0.29 -0.60 1.88 -0.23 0.00 0.00 178.00 179.90 3g17 h TYR 272 N 0.00 0.40 -0.80 1.56 0.05 -1.94 -2.32 116.97 113.93 3g17 h TYR 272 Ca -0.00 -0.29 0.10 0.00 0.05 0.00 0.00 58.73 58.58 3g17 h TYR 272 Cb 0.97 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.62 3g17 h TYR 272 CO 0.00 1.23 0.44 1.25 -1.05 0.00 0.00 178.16 180.03 3g17 h LEU 273 N -0.54 0.60 -0.06 3.88 5.85 -1.85 -2.21 115.31 120.98 3g17 h LEU 273 Ca -0.11 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3g17 h LEU 273 Cb 1.48 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 3g17 h LEU 273 CO 0.11 0.34 0.03 0.44 -0.34 0.00 0.00 178.44 179.02 3g17 h ASP 274 N 0.72 0.08 -0.00 1.25 5.19 -1.07 0.11 116.42 122.71 3g17 h ASP 274 Ca 0.39 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.55 3g17 h ASP 274 Cb 0.39 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3g17 h ASP 274 CO -0.26 0.19 -0.38 0.00 -3.12 0.00 0.00 179.24 175.66 3g17 h THR 275 N -0.03 1.30 -0.11 0.35 1.03 -1.23 -0.53 112.91 113.69 3g17 h THR 275 Ca 0.02 -1.52 0.01 0.00 -0.01 0.00 0.00 66.41 64.91 3g17 h THR 275 Cb 0.13 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.74 3g17 h THR 275 CO -0.00 0.48 0.02 0.40 -0.01 0.00 0.00 175.52 176.40 3g17 h ILE 276 N 0.42 0.95 -0.86 0.00 5.03 -1.28 -2.49 117.51 119.28 3g17 h ILE 276 Ca 0.04 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.76 3g17 h ILE 276 Cb 0.86 0.88 -0.04 0.00 -3.03 0.00 0.00 36.82 35.49 3g17 h ILE 276 CO 0.07 0.01 0.52 0.22 -0.68 0.00 0.00 178.15 178.29 3g17 h TYR 277 N 0.06 1.13 -0.49 1.37 3.20 -0.47 -1.62 116.97 120.16 3g17 h TYR 277 Ca 0.05 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 3g17 h TYR 277 Cb 0.04 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3g17 h TYR 277 CO -0.12 0.75 -0.15 0.66 -1.64 0.00 0.00 178.16 177.66 3g17 h SER 278 N 1.18 0.94 -0.42 -2.11 4.64 -0.89 0.16 113.55 117.05 3g17 h SER 278 Ca 0.31 -0.32 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3g17 h SER 278 Cb -0.05 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 3g17 h SER 278 CO -0.06 1.08 -0.18 -0.26 -0.87 0.00 0.00 176.83 176.54 3g17 h PHE 279 N 0.82 1.04 -0.34 4.77 0.04 -1.15 -1.00 116.94 121.12 3g17 h PHE 279 Ca 0.12 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3g17 h PHE 279 Cb 0.70 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3g17 h PHE 279 CO 0.04 1.01 0.12 -0.07 -0.60 0.00 0.00 178.31 178.82 3g17 h LEU 280 N 0.80 0.49 -0.17 1.54 4.07 -0.77 -1.94 115.31 119.34 3g17 h LEU 280 Ca 0.11 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.91 3g17 h LEU 280 Cb 0.73 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 3g17 h LEU 280 CO 0.06 0.54 0.02 -0.09 -1.08 0.00 0.00 178.44 177.89 3g17 h ARG 281 N 0.41 0.09 -0.32 1.13 9.65 -0.71 -1.42 114.38 123.21 3g17 h ARG 281 Ca 0.11 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3g17 h ARG 281 Cb 0.22 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3g17 h ARG 281 CO -0.01 0.06 0.21 0.00 2.80 0.00 0.00 179.97 183.03 3g17 h ALA 282 N 1.13 1.81 -0.27 2.80 0.00 -1.03 -0.67 119.26 123.03 3g17 h ALA 282 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3g17 h ALA 282 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3g17 h ALA 282 CO -0.11 0.17 -0.17 -0.92 0.00 0.00 0.00 179.25 178.21 3g17 h TYR 283 N 0.40 0.69 -0.17 0.00 3.20 -0.82 -2.43 116.97 117.84 3g17 h TYR 283 Ca 0.12 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.85 3g17 h TYR 283 Cb 0.00 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 3g17 h TYR 283 CO -0.00 0.86 -0.08 1.96 -1.64 0.00 0.00 178.16 179.26 3g17 h GLN 284 N 0.32 -0.06 -0.77 1.82 1.08 -0.52 -0.56 115.11 116.41 3g17 h GLN 284 Ca 0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3g17 h GLN 284 Cb 0.71 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 3g17 h GLN 284 CO 0.05 -0.04 0.48 1.96 -0.95 0.00 0.00 178.83 180.32 3g17 h GLN 285 N -0.06 1.04 -0.56 1.46 1.08 -1.14 -0.80 115.11 116.12 3g17 h GLN 285 Ca 0.09 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3g17 h GLN 285 Cb 0.20 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3g17 h GLN 285 CO -0.21 0.72 0.22 -0.97 -0.95 0.00 0.00 178.83 177.64 3g17 h ASN 286 N 1.05 0.78 -0.64 1.46 -1.24 -1.23 -2.60 115.58 113.17 3g17 h ASN 286 Ca 0.28 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 3g17 h ASN 286 Cb -0.06 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 3g17 h ASN 286 CO -0.05 0.75 0.35 -0.08 -1.29 0.00 0.00 177.43 177.10 3g17 h GLU 287 N 0.77 0.91 -0.02 6.67 4.22 -0.54 -2.13 114.58 124.47 3g17 h GLU 287 Ca 0.19 -0.10 -0.09 0.00 0.08 0.00 0.00 59.36 59.44 3g17 h GLU 287 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3g17 h GLU 287 CO -0.01 0.68 -0.40 0.78 -2.18 0.00 0.00 179.01 177.88 3g17 h GLY 288 N 0.98 0.05 1.06 1.92 0.00 -0.95 -2.96 103.07 103.17 3g17 h GLY 288 Ca 0.23 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 3g17 h GLY 288 CO -0.04 0.04 -0.32 0.45 0.00 0.00 0.00 176.54 176.68 3g17 h HIS 289 N 0.04 1.01 -0.00 5.60 3.86 -1.02 -3.51 115.15 121.13 3g17 h HIS 289 Ca 0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3g17 h HIS 289 Cb 0.72 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3g17 h HIS 289 CO 0.00 1.09 0.00 0.72 0.86 0.00 0.00 177.93 180.60