#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 1.67 0.03 -3.33 1.01 -1.26 -2.23 120.40 116.28 3g17 s VAL 5 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.24 3g17 s VAL 5 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3g17 s VAL 5 CO 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.32 3g17 s ALA 6 N 0.15 2.16 -0.18 5.51 0.00 -0.51 -0.84 121.76 128.06 3g17 s ALA 6 Ca -0.09 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 3g17 s ALA 6 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3g17 s ALA 6 CO 0.04 0.51 -0.13 0.42 0.00 0.00 0.00 175.76 176.60 3g17 s ILE 7 N -0.77 2.76 -0.28 0.00 1.09 0.20 -0.48 121.20 123.72 3g17 s ILE 7 Ca 0.11 -0.72 -0.12 0.00 -1.10 0.00 0.00 60.65 58.82 3g17 s ILE 7 Cb -0.10 -2.19 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 3g17 s ILE 7 CO 0.01 0.50 0.23 -0.63 -0.10 0.00 0.00 174.94 174.95 3g17 s ILE 8 N 1.05 5.28 0.00 2.92 1.01 0.11 -0.73 121.20 130.83 3g17 s ILE 8 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3g17 s ILE 8 Cb -0.15 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3g17 s ILE 8 CO -0.03 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3g17 n GLY 9 N 4.97 1.38 2.26 6.18 0.00 -0.11 -0.56 105.19 119.31 3g17 n GLY 9 Ca -0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 3.00 -0.22 1.61 -0.05 -1.26 -3.91 135.00 134.17 3g17 n PRO 10 Ca 0.00 -2.01 0.00 0.00 -0.05 0.00 0.00 63.50 61.44 3g17 n PRO 10 Cb 0.00 -2.36 0.00 0.00 -0.05 0.00 0.00 33.50 31.09 3g17 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3g17 n GLY 11 N 2.36 -0.12 0.38 0.55 0.00 -1.26 -4.71 105.19 102.39 3g17 n GLY 11 Ca 0.58 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.36 -0.42 0.33 4.61 0.00 -1.89 -0.84 119.26 119.69 3g17 h ALA 12 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g17 h ALA 12 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3g17 h ALA 12 CO 0.00 -0.85 -0.16 0.28 0.00 0.00 0.00 179.25 178.52 3g17 h VAL 13 N -0.35 0.65 -0.49 0.00 2.07 -1.90 -2.52 116.25 113.71 3g17 h VAL 13 Ca 0.13 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3g17 h VAL 13 Cb 0.58 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 3g17 h VAL 13 CO -0.52 0.11 -0.14 1.23 0.02 0.00 0.00 177.57 178.26 3g17 h GLY 14 N -0.79 0.31 0.97 2.17 0.00 -1.67 0.28 103.07 104.35 3g17 h GLY 14 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3g17 h GLY 14 CO 0.07 -0.19 0.22 -0.84 0.00 0.00 0.00 176.54 175.80 3g17 h THR 15 N -0.03 1.14 -0.55 4.70 2.02 -1.16 -0.83 112.91 118.20 3g17 h THR 15 Ca 0.23 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3g17 h THR 15 Cb 0.38 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3g17 h THR 15 CO -0.52 0.14 0.24 0.74 0.37 0.00 0.00 175.52 176.50 3g17 h THR 16 N 0.50 0.87 -0.27 3.16 2.02 -0.93 0.13 112.91 118.39 3g17 h THR 16 Ca 0.14 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3g17 h THR 16 Cb 0.03 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3g17 h THR 16 CO -0.02 0.08 0.08 0.40 0.37 0.00 0.00 175.52 176.43 3g17 h ILE 17 N 0.46 1.20 -0.49 3.11 2.04 -0.60 -2.62 117.51 120.60 3g17 h ILE 17 Ca 0.26 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3g17 h ILE 17 Cb 0.24 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3g17 h ILE 17 CO -0.23 0.21 -0.14 0.00 0.00 0.00 0.00 178.15 178.00 3g17 h ALA 18 N 0.91 0.83 -0.23 1.87 0.00 -0.86 -2.17 119.26 119.61 3g17 h ALA 18 Ca 0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3g17 h ALA 18 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3g17 h ALA 18 CO -0.00 0.65 -0.01 -0.92 0.00 0.00 0.00 179.25 178.97 3g17 h TYR 19 N 0.83 0.45 -0.04 0.00 3.20 -0.71 -0.74 116.97 119.96 3g17 h TYR 19 Ca 0.13 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3g17 h TYR 19 Cb 0.68 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3g17 h TYR 19 CO 0.04 0.60 -0.03 0.93 -1.64 0.00 0.00 178.16 178.06 3g17 h GLU 20 N 0.18 0.08 -0.78 1.82 4.39 -1.44 -2.92 114.58 115.90 3g17 h GLU 20 Ca 0.07 -0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.89 3g17 h GLU 20 Cb 0.42 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.96 3g17 h GLU 20 CO 0.01 0.52 0.29 -0.07 -1.16 0.00 0.00 179.01 178.60 3g17 h LEU 21 N -0.35 0.22 -2.42 1.33 3.38 -1.45 -1.03 115.31 115.00 3g17 h LEU 21 Ca 0.01 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3g17 h LEU 21 Cb 0.50 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3g17 h LEU 21 CO 0.01 0.05 0.00 -0.61 0.09 0.00 0.00 178.44 177.97 3g17 h GLN 22 N 0.39 0.00 0.00 1.13 4.15 -0.95 0.24 115.11 120.07 3g17 h GLN 22 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.87 3g17 h GLN 22 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3g17 h GLN 22 CO -0.46 0.00 -0.05 1.96 -1.93 0.00 0.00 178.83 178.35 3g17 h GLN 23 N 0.00 0.00 0.00 1.69 7.50 -1.01 -3.27 115.11 120.02 3g17 h GLN 23 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3g17 h GLN 23 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.60 3g17 h GLN 23 CO 0.00 0.00 -0.91 -1.13 -1.50 0.00 0.00 178.83 175.29 3g17 n SER 24 N -2.52 3.80 -4.03 1.46 3.41 -0.75 -4.90 113.62 110.10 3g17 n SER 24 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.29 3g17 n SER 24 Cb 0.46 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.33 4.54 0.00 1.04 4.77 0.76 -4.95 117.00 120.83 3g17 n LEU 25 Ca 0.00 -5.18 0.02 0.00 -0.03 0.00 0.00 56.01 50.82 3g17 n LEU 25 Cb 0.46 -1.10 0.10 0.00 -2.33 0.00 0.00 43.42 40.55 3g17 n LEU 25 CO 0.00 1.63 0.30 -0.81 -1.33 0.00 0.00 177.39 177.18 3g17 n PRO 26 N 2.01 0.39 0.00 3.23 -0.04 -1.23 -0.70 135.00 138.66 3g17 n PRO 26 Ca 0.24 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 3g17 n PRO 26 Cb 0.37 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.63 0.00 -1.59 0.54 8.25 -1.26 -4.97 115.22 115.56 3g17 n HIS 27 Ca 0.02 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.99 3g17 n HIS 27 Cb 0.01 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.82 0.54 -5.13 1.59 -1.04 0.13 -4.74 114.28 104.80 3g17 n THR 28 Ca 0.07 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.05 61.62 3g17 n THR 28 Cb 0.39 -0.87 -0.16 0.00 -1.82 0.00 0.00 70.33 67.88 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 0.09 2.36 -0.17 12.58 2.01 -0.02 -4.86 115.64 127.62 3g17 s THR 29 Ca 0.77 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 3g17 s THR 29 Cb -0.88 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 3g17 s THR 29 CO 0.50 0.57 0.12 -0.22 -0.69 0.00 0.00 174.62 174.89 3g17 s LEU 30 N -0.14 4.19 -0.03 4.42 2.96 -1.26 -0.63 118.68 128.18 3g17 s LEU 30 Ca -0.03 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3g17 s LEU 30 Cb -0.14 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3g17 s LEU 30 CO 0.04 0.25 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.59 3g17 s ILE 31 N -0.07 0.85 0.00 6.68 1.01 0.09 -0.04 121.20 129.71 3g17 s ILE 31 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3g17 s ILE 31 Cb -0.11 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3g17 s ILE 31 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3g17 n GLY 32 N 3.45 3.55 0.22 6.18 0.00 -0.21 -0.94 105.19 117.45 3g17 n GLY 32 Ca -0.20 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.18 -6.27 1.61 -0.00 -1.95 -0.56 114.38 107.02 3g17 h ARG 33 Ca 0.00 0.01 -0.59 0.00 -0.50 0.00 0.00 59.98 58.90 3g17 h ARG 33 Cb 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 29.97 29.83 3g17 h ARG 33 CO 0.00 -0.12 -0.80 -1.01 0.00 0.00 0.00 179.97 178.03 3g17 s HIS 34 N -6.13 2.05 0.24 3.04 3.76 -1.26 -3.86 115.29 113.12 3g17 s HIS 34 Ca -0.14 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.05 3g17 s HIS 34 Cb 0.11 -1.02 -0.10 0.00 1.11 0.00 0.00 32.58 32.68 3g17 s HIS 34 CO 0.68 0.40 1.50 0.00 -0.85 0.00 0.00 174.74 176.47 3g17 s ALA 35 N -1.80 3.68 0.14 -1.40 0.00 -1.26 -3.79 121.76 117.33 3g17 s ALA 35 Ca 0.17 1.39 -0.25 0.00 0.00 0.00 0.00 51.96 53.27 3g17 s ALA 35 Cb -0.07 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.53 3g17 s ALA 35 CO 0.08 -0.80 1.02 -1.59 0.00 0.00 0.00 175.76 174.47 3g17 s LYS 36 N -0.06 1.11 -0.19 0.00 -2.85 -0.83 -4.93 119.74 111.99 3g17 s LYS 36 Ca 0.62 -0.64 0.01 0.00 -1.00 0.00 0.00 55.97 54.97 3g17 s LYS 36 Cb -0.43 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 35.73 3g17 s LYS 36 CO 0.41 -0.51 -0.15 0.99 0.10 0.00 0.00 175.35 176.19 3g17 s THR 37 N -2.97 1.89 -0.03 3.79 2.01 -1.26 0.13 115.64 119.20 3g17 s THR 37 Ca 0.14 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 3g17 s THR 37 Cb -0.01 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3g17 s THR 37 CO 0.02 0.33 0.33 -0.63 -0.69 0.00 0.00 174.62 173.98 3g17 s ILE 38 N 1.32 5.17 -0.08 1.82 1.01 0.70 -4.90 121.20 126.24 3g17 s ILE 38 Ca 0.01 0.62 -0.19 0.00 0.00 0.00 0.00 60.65 61.09 3g17 s ILE 38 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3g17 s ILE 38 CO -0.10 0.57 0.53 -0.89 0.00 0.00 0.00 174.94 175.04 3g17 s THR 39 N -1.09 5.10 0.02 2.92 2.01 -0.32 0.73 115.64 125.01 3g17 s THR 39 Ca 0.22 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.35 3g17 s THR 39 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 3g17 s THR 39 CO 0.11 0.35 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.76 3g17 s TYR 40 N 0.37 1.44 -0.12 4.92 5.04 0.16 -0.11 117.35 129.05 3g17 s TYR 40 Ca 0.28 -0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.57 3g17 s TYR 40 Cb -0.16 -0.88 0.04 0.00 0.35 0.00 0.00 41.96 41.30 3g17 s TYR 40 CO 0.13 0.03 -0.01 0.71 -1.34 0.00 0.00 175.55 175.07 3g17 s TYR 41 N -0.67 1.05 0.51 4.97 1.51 -1.04 -0.33 117.35 123.34 3g17 s TYR 41 Ca 0.05 -0.55 0.28 0.00 -1.01 0.00 0.00 57.07 55.83 3g17 s TYR 41 Cb -0.07 -1.01 1.62 0.00 -0.11 0.00 0.00 41.96 42.39 3g17 s TYR 41 CO 0.01 -0.47 2.17 1.79 -1.11 0.00 0.00 175.55 177.94 3g17 h THR 42 N 6.35 0.59 -2.28 -0.71 1.35 -1.86 -1.57 112.91 114.77 3g17 h THR 42 Ca -0.21 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 3g17 h THR 42 Cb 1.12 1.15 -0.17 0.00 -1.73 0.00 0.00 68.15 68.53 3g17 h THR 42 CO 0.32 0.06 0.29 0.54 -0.25 0.00 0.00 175.52 176.48 3g17 s VAL 43 N -4.47 0.00 0.36 6.82 0.11 -1.25 -4.54 120.40 117.42 3g17 s VAL 43 Ca -0.04 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 3g17 s VAL 43 Cb 0.14 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.88 3g17 s VAL 43 CO 0.57 0.00 1.34 -2.65 -3.33 0.00 0.00 175.10 171.03 3g17 n PRO 44 N 0.34 2.26 -0.55 1.54 -0.02 -1.25 -2.17 135.00 135.15 3g17 n PRO 44 Ca -0.16 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3g17 n PRO 44 Cb 0.60 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.32 0.00 -0.90 6.00 8.25 -1.26 -5.01 115.22 122.62 3g17 n HIS 45 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 3g17 n HIS 45 Cb 0.37 -1.26 0.10 0.00 1.12 0.00 0.00 29.99 30.32 3g17 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g17 n ALA 46 N 0.99 -2.83 -1.41 -1.41 0.00 -0.92 -4.91 120.51 110.03 3g17 n ALA 46 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 3g17 n ALA 46 Cb 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 19.45 17.81 3g17 n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g17 n PRO 47 N -0.97 0.55 -2.77 0.00 -0.04 -1.26 -4.92 135.00 125.59 3g17 n PRO 47 Ca 0.06 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.34 3g17 n PRO 47 Cb 0.53 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 3g17 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g17 s ALA 48 N -1.76 3.21 0.06 0.55 0.00 -1.26 -4.69 121.76 117.86 3g17 s ALA 48 Ca 0.73 0.48 0.05 0.00 0.00 0.00 0.00 51.96 53.21 3g17 s ALA 48 Cb -0.36 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3g17 s ALA 48 CO 0.51 -0.17 -0.06 -1.14 0.00 0.00 0.00 175.76 174.90 3g17 s GLN 49 N 0.77 2.43 -0.12 0.00 2.00 0.55 -4.94 119.66 120.34 3g17 s GLN 49 Ca 0.49 -0.84 -0.08 0.00 -2.00 0.00 0.00 55.36 52.92 3g17 s GLN 49 Cb -0.21 -2.45 -0.04 0.00 0.80 0.00 0.00 33.01 31.10 3g17 s GLN 49 CO 0.27 0.56 0.16 -0.51 -0.50 0.00 0.00 175.29 175.27 3g17 s ASP 50 N -1.88 6.40 -0.03 6.67 1.11 -1.26 0.37 116.67 128.04 3g17 s ASP 50 Ca 0.21 0.48 0.00 0.00 0.18 0.00 0.00 52.55 53.42 3g17 s ASP 50 Cb -0.11 -2.09 0.03 0.00 1.07 0.00 0.00 42.92 41.81 3g17 s ASP 50 CO 0.12 0.37 -0.01 -0.51 1.18 0.00 0.00 175.17 176.32 3g17 s ILE 51 N -0.81 0.23 0.07 0.77 2.07 0.22 -4.91 121.20 118.84 3g17 s ILE 51 Ca 0.15 0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.14 3g17 s ILE 51 Cb -0.12 -0.32 -0.06 0.00 0.13 0.00 0.00 42.46 42.09 3g17 s ILE 51 CO 0.04 0.16 1.16 -0.69 -1.91 0.00 0.00 174.94 173.70 3g17 s VAL 52 N 1.05 4.12 -0.17 4.00 1.01 -1.26 -0.22 120.40 128.93 3g17 s VAL 52 Ca -0.09 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 3g17 s VAL 52 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3g17 s VAL 52 CO -0.02 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.49 3g17 s VAL 53 N 0.88 3.62 -0.08 2.92 1.01 0.12 -4.34 120.40 124.52 3g17 s VAL 53 Ca 0.57 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 3g17 s VAL 53 Cb -0.28 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3g17 s VAL 53 CO 0.30 0.47 0.31 -0.54 0.00 0.00 0.00 175.10 175.64 3g17 s LYS 54 N 0.75 3.94 0.59 2.72 1.02 0.94 -1.96 119.74 127.74 3g17 s LYS 54 Ca -0.02 0.19 -0.18 0.00 0.02 0.00 0.00 55.97 55.97 3g17 s LYS 54 Cb -0.15 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3g17 s LYS 54 CO 0.02 0.54 1.18 0.20 -0.92 0.00 0.00 175.35 176.37 3g17 s GLY 55 N -0.48 2.65 0.43 -3.33 0.00 -1.25 -1.04 107.32 104.30 3g17 s GLY 55 Ca 0.20 0.93 0.20 0.00 0.00 0.00 0.00 44.72 46.05 3g17 s GLY 55 CO 0.08 1.31 1.83 -0.97 0.00 0.00 0.00 173.10 175.34 3g17 h TYR 56 N 0.84 0.50 0.00 1.90 0.05 -1.20 -1.39 116.97 117.67 3g17 h TYR 56 Ca -0.50 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3g17 h TYR 56 Cb 1.29 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3g17 h TYR 56 CO 0.48 0.09 -0.51 0.93 -1.05 0.00 0.00 178.16 178.11 3g17 h GLU 57 N 0.34 0.00 0.00 4.88 5.08 -1.87 -3.14 114.58 119.87 3g17 h GLU 57 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3g17 h GLU 57 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3g17 h GLU 57 CO -0.19 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.38 3g17 h ASP 58 N 0.00 0.00 -3.52 1.42 3.32 -1.62 -3.44 116.42 112.59 3g17 h ASP 58 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3g17 h ASP 58 Cb 0.86 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.29 3g17 h ASP 58 CO 0.00 0.00 -0.24 -0.69 -1.72 0.00 0.00 179.24 176.59 3g17 s VAL 59 N -3.32 5.21 -0.05 -1.35 1.01 -1.19 -4.95 120.40 115.76 3g17 s VAL 59 Ca 0.06 0.63 0.11 0.00 0.00 0.00 0.00 61.98 62.78 3g17 s VAL 59 Cb 0.09 -3.70 0.20 0.00 0.00 0.00 0.00 36.38 32.98 3g17 s VAL 59 CO 0.54 0.25 1.09 0.35 0.00 0.00 0.00 175.10 177.33 3g17 n THR 60 N 4.42 0.66 -4.50 3.92 -2.24 -1.26 -5.01 114.28 110.27 3g17 n THR 60 Ca -0.09 -1.08 -0.28 0.00 -2.27 0.00 0.00 64.05 60.33 3g17 n THR 60 Cb 0.51 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.88 4.06 0.33 3.42 4.22 -1.26 -5.15 114.94 118.68 3g17 s ASN 61 Ca 0.19 -1.33 0.08 0.00 -2.14 0.00 0.00 52.86 49.65 3g17 s ASN 61 Cb 0.19 -0.29 -0.04 0.00 1.28 0.00 0.00 41.25 42.40 3g17 s ASN 61 CO -0.04 -0.54 0.19 0.42 -2.04 0.00 0.00 177.10 175.10 3g17 s THR 62 N -2.71 3.29 0.15 0.54 -4.23 -1.26 -4.69 115.64 106.72 3g17 s THR 62 Ca 0.33 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3g17 s THR 62 Cb 0.07 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3g17 s THR 62 CO 0.17 -0.19 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.53 3g17 s PHE 63 N -2.36 1.70 -0.05 3.99 0.08 0.19 -4.99 117.98 116.54 3g17 s PHE 63 Ca 0.38 -0.49 0.12 0.00 0.12 0.00 0.00 56.93 57.07 3g17 s PHE 63 Cb -0.04 -0.87 -0.06 0.00 -0.57 0.00 0.00 43.02 41.48 3g17 s PHE 63 CO 0.24 0.26 1.31 -0.44 -0.10 0.00 0.00 175.22 176.49 3g17 h ASP 64 N 3.42 0.00 -3.48 1.36 3.32 -1.82 -3.37 116.42 115.85 3g17 h ASP 64 Ca -0.42 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.25 3g17 h ASP 64 Cb 1.20 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 3g17 h ASP 64 CO 0.50 0.71 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.28 3g17 s VAL 65 N -2.85 0.36 -0.20 -1.35 1.01 -0.95 0.30 120.40 116.73 3g17 s VAL 65 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3g17 s VAL 65 Cb 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.08 3g17 s VAL 65 CO 0.78 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 175.26 3g17 s ILE 66 N 0.95 2.04 -0.35 2.22 -1.09 0.16 -1.42 121.20 123.71 3g17 s ILE 66 Ca -0.11 -1.08 -0.14 0.00 -2.23 0.00 0.00 60.65 57.09 3g17 s ILE 66 Cb -0.14 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 3g17 s ILE 66 CO -0.01 0.40 0.32 -0.63 -1.23 0.00 0.00 174.94 173.79 3g17 s ILE 67 N 1.26 5.21 -0.37 2.92 1.01 0.37 0.37 121.20 131.97 3g17 s ILE 67 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 3g17 s ILE 67 Cb -0.15 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3g17 s ILE 67 CO -0.11 -0.10 0.30 -0.63 0.00 0.00 0.00 174.94 174.40 3g17 s ILE 68 N 1.89 5.24 -0.38 2.92 1.01 0.10 0.05 121.20 132.03 3g17 s ILE 68 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3g17 s ILE 68 Cb -0.17 -3.84 0.44 0.00 0.01 0.00 0.00 42.46 38.90 3g17 s ILE 68 CO 0.11 -0.17 1.18 0.00 0.00 0.00 0.00 174.94 176.06 3g17 n ALA 69 N 5.22 5.10 -2.02 9.38 0.00 0.28 -0.65 120.51 137.81 3g17 n ALA 69 Ca -0.11 -4.04 -0.19 0.00 0.00 0.00 0.00 53.44 49.10 3g17 n ALA 69 Cb 0.48 -0.48 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.05 2.61 0.56 0.00 -7.23 -1.26 -4.52 120.40 105.51 3g17 s VAL 70 Ca 0.50 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.51 3g17 s VAL 70 Cb 0.41 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 3g17 s VAL 70 CO -0.08 0.00 1.24 -0.54 -0.31 0.00 0.00 175.10 175.41 3g17 s LYS 71 N -4.53 3.13 0.18 4.82 -0.14 -1.26 -4.83 119.74 117.11 3g17 s LYS 71 Ca 0.58 1.93 -0.17 0.00 -1.36 0.00 0.00 55.97 56.96 3g17 s LYS 71 Cb -0.08 -2.09 0.15 0.00 -1.68 0.00 0.00 37.83 34.13 3g17 s LYS 71 CO 0.36 -1.10 1.29 2.41 -0.76 0.00 0.00 175.35 177.54 3g17 n THR 72 N -1.27 -0.46 1.23 2.17 -1.04 -1.26 -0.11 114.28 113.54 3g17 n THR 72 Ca 0.12 1.96 0.10 0.00 -2.04 0.00 0.00 64.05 64.18 3g17 n THR 72 Cb 0.48 -2.55 0.58 0.00 -1.82 0.00 0.00 70.33 67.02 3g17 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g17 n HIS 73 N -5.19 0.00 0.90 -1.42 1.44 -1.26 -2.84 115.22 106.85 3g17 n HIS 73 Ca 0.07 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 3g17 n HIS 73 Cb 0.31 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.01 0.98 -0.02 -1.40 6.02 0.85 -4.68 117.38 118.13 3g17 n GLN 74 Ca 0.15 -0.39 -0.10 0.00 -0.01 0.00 0.00 57.00 56.64 3g17 n GLN 74 Cb 0.07 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 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 0.93 0.09 -0.71 1.08 5.85 -1.48 -2.74 115.31 118.33 3g17 h LEU 75 Ca 0.00 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3g17 h LEU 75 Cb 0.55 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3g17 h LEU 75 CO 0.00 0.07 0.23 0.44 -0.34 0.00 0.00 178.44 178.85 3g17 h ASP 76 N 0.14 0.16 0.72 1.25 3.32 -1.83 -1.51 116.42 118.67 3g17 h ASP 76 Ca 0.06 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3g17 h ASP 76 Cb 0.02 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3g17 h ASP 76 CO -0.05 0.06 -0.13 0.00 -1.72 0.00 0.00 179.24 177.40 3g17 h ALA 77 N 1.54 1.09 -0.02 3.45 0.00 -1.81 -2.79 119.26 120.71 3g17 h ALA 77 Ca 0.39 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 3g17 h ALA 77 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3g17 h ALA 77 CO -0.42 0.17 -0.83 0.28 0.00 0.00 0.00 179.25 178.45 3g17 h VAL 78 N 0.00 1.45 -0.68 0.00 2.07 -1.17 -3.39 116.25 114.52 3g17 h VAL 78 Ca -0.00 -2.43 0.11 0.00 0.82 0.00 0.00 66.70 65.20 3g17 h VAL 78 Cb 0.53 2.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 3g17 h VAL 78 CO 0.02 0.71 0.29 0.40 0.02 0.00 0.00 177.57 179.01 3g17 h ILE 79 N 0.16 0.76 0.00 4.57 2.04 -1.29 0.26 117.51 124.01 3g17 h ILE 79 Ca -0.04 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3g17 h ILE 79 Cb 1.43 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3g17 h ILE 79 CO 0.13 0.09 0.00 -0.65 0.00 0.00 0.00 178.15 177.72 3g17 h PRO 80 N 0.48 0.00 0.00 2.37 0.11 -1.76 -0.30 132.00 132.91 3g17 h PRO 80 Ca 0.35 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.31 3g17 h PRO 80 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3g17 h PRO 80 CO -0.32 0.00 -0.75 0.45 -0.21 0.00 0.00 178.00 177.17 3g17 h HIS 81 N 0.00 0.00 -0.55 0.65 3.86 -1.21 -3.24 115.15 114.66 3g17 h HIS 81 Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3g17 h HIS 81 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3g17 h HIS 81 CO 0.00 0.75 -0.08 -0.07 0.86 0.00 0.00 177.93 179.39 3g17 h LEU 82 N 0.00 1.01 -0.99 2.43 3.38 -0.90 -1.38 115.31 118.86 3g17 h LEU 82 Ca -0.01 -0.32 0.30 0.00 0.09 0.00 0.00 57.88 57.94 3g17 h LEU 82 Cb 1.34 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 3g17 h LEU 82 CO 0.10 1.10 0.54 0.74 0.09 0.00 0.00 178.44 181.01 3g17 h THR 83 N 0.91 0.34 0.00 0.22 2.02 -1.55 -0.30 112.91 114.55 3g17 h THR 83 Ca 0.15 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 67.07 3g17 h THR 83 Cb 0.64 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3g17 h THR 83 CO 0.04 0.07 -1.51 -1.22 0.37 0.00 0.00 175.52 173.26 3g17 n TYR 84 N -5.04 0.77 0.05 3.16 4.01 -0.66 -4.48 117.16 114.96 3g17 n TYR 84 Ca 0.30 0.25 0.11 0.00 -0.16 0.00 0.00 57.90 58.40 3g17 n TYR 84 Cb 0.91 -0.99 -0.10 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.76 0.33 -4.84 7.72 4.77 -0.61 -4.64 117.00 116.96 3g17 n LEU 85 Ca -0.10 0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 3g17 n LEU 85 Cb 0.79 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.81 3g17 n LEU 85 CO 0.43 -0.07 -0.20 0.00 -1.33 0.00 0.00 177.39 176.23 3g17 s ALA 86 N -3.45 3.71 0.34 -1.18 0.00 -0.19 -0.64 121.76 120.34 3g17 s ALA 86 Ca -0.05 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3g17 s ALA 86 Cb 0.12 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.76 3g17 s ALA 86 CO 0.86 0.61 0.37 -2.39 0.00 0.00 0.00 175.76 175.22 3g17 n HIS 87 N -0.11 -1.82 -0.08 0.00 1.44 -1.26 -4.84 115.22 108.54 3g17 n HIS 87 Ca -0.08 -1.32 0.11 0.00 -2.01 0.00 0.00 57.72 54.42 3g17 n HIS 87 Cb 0.53 -0.30 0.48 0.00 0.12 0.00 0.00 29.99 30.83 3g17 n HIS 87 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3g17 h GLU 88 N 0.00 0.43 -0.21 -1.40 4.81 -1.98 -2.70 114.58 113.52 3g17 h GLU 88 Ca -0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3g17 h GLU 88 Cb 0.75 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3g17 h GLU 88 CO 0.28 0.28 0.00 -0.25 -0.73 0.00 0.00 179.01 178.59 3g17 n ASP 89 N -4.47 2.62 -4.58 1.04 8.00 -1.26 -4.28 116.55 113.61 3g17 n ASP 89 Ca 0.09 -1.77 -0.48 0.00 0.71 0.00 0.00 54.79 53.34 3g17 n ASP 89 Cb 0.34 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.78 1.03 -2.75 -3.53 -1.04 -1.02 -4.86 114.28 102.88 3g17 n THR 90 Ca 0.11 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 3g17 n THR 90 Cb 0.40 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 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 0.63 4.04 -0.32 -4.42 2.96 0.15 -4.33 118.68 117.38 3g17 s LEU 91 Ca 0.71 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.57 3g17 s LEU 91 Cb -0.83 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 42.47 3g17 s LEU 91 CO 0.53 -0.71 0.18 -0.63 -1.32 0.00 0.00 176.35 174.40 3g17 s ILE 92 N 3.25 4.76 -0.28 6.68 -1.09 0.20 -0.66 121.20 134.05 3g17 s ILE 92 Ca 0.40 -0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 58.35 3g17 s ILE 92 Cb -0.14 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3g17 s ILE 92 CO 0.11 0.03 0.09 -0.63 -1.23 0.00 0.00 174.94 173.31 3g17 s ILE 93 N 1.64 4.20 -0.76 2.92 1.01 0.16 -1.21 121.20 129.16 3g17 s ILE 93 Ca 0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 3g17 s ILE 93 Cb -0.17 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.27 3g17 s ILE 93 CO 0.07 0.17 1.14 -0.76 0.00 0.00 0.00 174.94 175.57 3g17 s LEU 94 N 1.56 3.96 -1.18 2.97 1.43 -0.06 0.01 118.68 127.38 3g17 s LEU 94 Ca 0.04 -0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 52.06 3g17 s LEU 94 Cb -0.16 -2.48 0.22 0.00 0.03 0.00 0.00 46.19 43.80 3g17 s LEU 94 CO 0.03 -1.54 1.46 0.00 0.23 0.00 0.00 176.35 176.54 3g17 n ALA 95 N 8.26 4.55 -3.39 4.21 0.00 0.17 -0.11 120.51 134.21 3g17 n ALA 95 Ca 0.06 -4.48 -0.09 0.00 0.00 0.00 0.00 53.44 48.93 3g17 n ALA 95 Cb 0.48 -2.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 3g17 n ALA 95 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3g17 s GLN 96 N -0.27 1.71 0.75 0.00 -2.07 -1.20 -4.45 119.66 114.14 3g17 s GLN 96 Ca 0.37 -1.25 -0.11 0.00 -1.82 0.00 0.00 55.36 52.55 3g17 s GLN 96 Cb -0.00 0.52 0.05 0.00 -1.09 0.00 0.00 33.01 32.49 3g17 s GLN 96 CO 0.00 -0.74 1.11 -0.80 -1.32 0.00 0.00 175.29 173.54 3g17 s ASN 97 N -3.02 4.89 0.67 12.60 0.01 -1.26 -4.74 114.94 124.09 3g17 s ASN 97 Ca 0.20 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 3g17 s ASN 97 Cb -0.02 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.18 3g17 s ASN 97 CO 0.10 -1.64 0.00 0.61 -1.51 0.00 0.00 177.10 174.66 3g17 n GLY 98 N -3.11 0.19 0.00 0.66 0.00 -1.26 -4.93 105.19 96.74 3g17 n GLY 98 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3g17 n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g17 n TYR 99 N 0.00 -2.43 0.00 1.61 0.53 -1.26 -5.00 117.16 110.61 3g17 n TYR 99 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3g17 n TYR 99 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3g17 n TYR 99 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 3g17 n GLU 103 N -0.68 0.00 0.00 -0.72 2.13 -1.26 -5.07 120.64 115.04 3g17 n GLU 103 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3g17 n GLU 103 Cb 0.00 0.00 0.56 0.00 0.27 0.00 0.00 31.44 32.27 3g17 n GLU 103 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3g17 n HIS 104 N 0.00 0.00 -3.11 4.31 8.25 -1.26 -4.79 115.22 118.62 3g17 n HIS 104 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3g17 n HIS 104 Cb 0.00 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.47 4.84 -0.72 1.59 -1.09 -1.26 -4.96 121.20 117.13 3g17 s ILE 105 Ca 0.22 0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 3g17 s ILE 105 Cb 0.14 -4.17 -0.14 0.00 -1.58 0.00 0.00 42.46 36.72 3g17 s ILE 105 CO 0.31 -0.52 2.80 -0.81 -1.23 0.00 0.00 174.94 175.49 3g17 n PRO 106 N 6.20 2.38 -3.97 2.79 -0.04 -1.26 -4.83 135.00 136.27 3g17 n PRO 106 Ca -0.02 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.96 3g17 n PRO 106 Cb 0.48 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.53 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 2.10 0.26 0.13 0.54 0.08 -1.26 -5.07 117.98 114.76 3g17 s PHE 107 Ca 0.56 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 3g17 s PHE 107 Cb 0.20 -0.20 -0.07 0.00 -0.57 0.00 0.00 43.02 42.38 3g17 s PHE 107 CO -0.03 -0.28 1.57 0.87 -0.10 0.00 0.00 175.22 177.25 3g17 h LYS 108 N 4.08 -0.48 -3.62 0.44 1.57 -1.88 -3.40 116.57 113.28 3g17 h LYS 108 Ca -0.32 0.03 -0.74 0.00 -1.87 0.00 0.00 60.65 57.75 3g17 h LYS 108 Cb 1.19 0.11 -0.31 0.00 0.08 0.00 0.00 32.23 33.30 3g17 h LYS 108 CO 0.48 -0.32 -0.06 -0.80 -0.57 0.00 0.00 179.45 178.17 3g17 s ASN 109 N -4.89 6.14 -0.09 0.86 0.01 -1.26 -5.02 114.94 110.69 3g17 s ASN 109 Ca -0.15 -3.02 0.01 0.00 -0.71 0.00 0.00 52.86 48.99 3g17 s ASN 109 Cb 0.09 -2.03 0.02 0.00 0.41 0.00 0.00 41.25 39.73 3g17 s ASN 109 CO 0.63 -0.40 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.01 3g17 s VAL 110 N -0.33 1.20 0.08 1.60 1.01 -1.26 0.59 120.40 123.29 3g17 s VAL 110 Ca 0.21 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3g17 s VAL 110 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3g17 s VAL 110 CO -0.07 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.33 3g17 s GLN 112 N -3.02 4.44 -0.17 0.00 2.00 -1.26 -0.88 119.66 120.76 3g17 s GLN 112 Ca 0.04 0.89 -0.06 0.00 -2.00 0.00 0.00 55.36 54.24 3g17 s GLN 112 Cb -0.00 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.33 3g17 s GLN 112 CO -0.03 0.08 0.01 0.00 -0.50 0.00 0.00 175.29 174.86 3g17 s ALA 113 N 0.74 3.18 -0.04 1.58 0.00 0.84 -4.37 121.76 123.70 3g17 s ALA 113 Ca 0.38 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 3g17 s ALA 113 Cb -0.18 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3g17 s ALA 113 CO 0.18 0.14 0.74 0.08 0.00 0.00 0.00 175.76 176.91 3g17 s VAL 114 N 0.46 4.97 -0.09 0.00 1.01 -0.58 -3.22 120.40 122.96 3g17 s VAL 114 Ca -0.00 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.53 3g17 s VAL 114 Cb -0.13 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3g17 s VAL 114 CO 0.02 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.60 3g17 s VAL 115 N 0.67 3.44 -0.51 2.92 1.01 -1.26 -1.31 120.40 125.36 3g17 s VAL 115 Ca 0.39 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3g17 s VAL 115 Cb -0.19 -2.42 0.17 0.00 0.00 0.00 0.00 36.38 33.95 3g17 s VAL 115 CO 0.20 0.56 0.40 -1.22 0.00 0.00 0.00 175.10 175.05 3g17 n TYR 116 N 2.74 0.48 -3.71 5.22 4.01 -0.62 -5.04 117.16 120.23 3g17 n TYR 116 Ca -0.18 -3.65 -0.14 0.00 -0.16 0.00 0.00 57.90 53.77 3g17 n TYR 116 Cb 0.53 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.50 -0.14 -0.12 -0.72 1.01 -1.26 -2.41 121.20 117.06 3g17 s ILE 117 Ca 0.31 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.22 3g17 s ILE 117 Cb 0.02 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3g17 s ILE 117 CO -0.19 0.10 -0.20 -0.44 0.00 0.00 0.00 174.94 174.21 3g17 s SER 118 N 1.62 2.83 0.07 3.58 0.01 -0.45 -4.89 113.70 116.48 3g17 s SER 118 Ca -0.05 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 3g17 s SER 118 Cb -0.12 -1.30 0.03 0.00 0.21 0.00 0.00 66.02 64.85 3g17 s SER 118 CO -0.06 0.08 0.42 0.61 0.41 0.00 0.00 173.24 174.69 3g17 n GLY 119 N 3.97 1.01 3.18 3.44 0.00 -1.26 0.35 105.19 115.89 3g17 n GLY 119 Ca -0.20 -1.01 -0.08 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 -2.02 0.81 -0.10 1.61 -2.07 0.10 -4.90 119.66 113.10 3g17 s GLN 120 Ca 0.09 -1.09 0.02 0.00 -1.82 0.00 0.00 55.36 52.57 3g17 s GLN 120 Cb -0.01 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.22 3g17 s GLN 120 CO 0.02 -0.24 -0.17 0.21 -1.32 0.00 0.00 175.29 173.80 3g17 s LYS 121 N -3.90 2.33 -0.14 9.60 2.20 -1.26 -1.24 119.74 127.33 3g17 s LYS 121 Ca 0.08 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3g17 s LYS 121 Cb 0.06 -1.91 0.03 0.00 -1.51 0.00 0.00 37.83 34.50 3g17 s LYS 121 CO -0.09 0.01 -0.10 0.15 -0.36 0.00 0.00 175.35 174.96 3g17 s LYS 122 N 0.77 1.82 7.65 4.03 1.02 0.06 -4.97 119.74 130.12 3g17 s LYS 122 Ca -0.11 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3g17 s LYS 122 Cb -0.16 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3g17 s LYS 122 CO 0.02 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 3g17 n GLY 123 N 4.85 3.53 2.13 -3.33 0.00 -1.26 -1.00 105.19 110.11 3g17 n GLY 123 Ca -0.14 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 4.43 4.89 -4.15 1.61 8.00 -1.26 -4.91 116.55 125.15 3g17 n ASP 124 Ca 0.00 -3.69 -0.33 0.00 0.71 0.00 0.00 54.79 51.47 3g17 n ASP 124 Cb 0.00 -0.84 -0.15 0.00 -0.02 0.00 0.00 41.12 40.11 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 -3.83 2.41 -0.01 2.53 1.01 -0.17 -1.17 120.40 121.17 3g17 s VAL 125 Ca 0.58 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3g17 s VAL 125 Cb 0.48 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3g17 s VAL 125 CO 0.06 0.36 0.17 -0.69 0.00 0.00 0.00 175.10 175.00 3g17 s VAL 126 N 1.29 5.37 -0.15 2.92 1.01 0.84 -0.76 120.40 130.92 3g17 s VAL 126 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 3g17 s VAL 126 Cb -0.15 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.77 3g17 s VAL 126 CO -0.09 0.32 0.06 -0.89 0.00 0.00 0.00 175.10 174.50 3g17 s THR 127 N -1.32 0.18 0.31 3.92 2.01 -0.38 -2.50 115.64 117.86 3g17 s THR 127 Ca 0.27 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 3g17 s THR 127 Cb -0.13 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 3g17 s THR 127 CO 0.19 -0.12 0.92 -2.28 -0.69 0.00 0.00 174.62 172.63 3g17 s HIS 128 N 2.02 3.70 -0.07 4.92 2.46 -0.59 -0.72 115.29 127.01 3g17 s HIS 128 Ca 0.02 1.74 -0.09 0.00 0.47 0.00 0.00 55.06 57.20 3g17 s HIS 128 Cb -0.15 -2.89 -0.03 0.00 -0.13 0.00 0.00 32.58 29.38 3g17 s HIS 128 CO -0.07 0.24 -0.18 1.19 -2.47 0.00 0.00 174.74 173.45 3g17 n PHE 129 N 0.61 0.00 -3.84 3.88 3.72 1.09 -3.81 117.46 119.12 3g17 n PHE 129 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3g17 n PHE 129 Cb 0.50 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.12 0.79 0.13 -1.08 1.70 -1.07 -4.84 118.95 112.46 3g17 s ARG 130 Ca -0.15 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3g17 s ARG 130 Cb 0.02 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 3g17 s ARG 130 CO 0.22 -0.25 0.00 -0.25 -1.08 0.00 0.00 175.30 173.94 3g17 n ASP 131 N 0.28 -1.81 -0.96 -2.89 8.00 -1.26 -1.33 116.55 116.57 3g17 n ASP 131 Ca -0.17 0.40 -0.00 0.00 0.71 0.00 0.00 54.79 55.73 3g17 n ASP 131 Cb 0.61 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.80 0.00 -3.79 1.24 4.01 -1.18 -4.39 117.16 111.25 3g17 n TYR 132 Ca -0.00 -0.28 -0.36 0.00 -0.16 0.00 0.00 57.90 57.09 3g17 n TYR 132 Cb 0.11 0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.00 3.72 0.06 -0.72 0.74 -1.01 -1.23 119.66 121.23 3g17 s GLN 133 Ca 0.12 -0.10 0.10 0.00 0.05 0.00 0.00 55.36 55.52 3g17 s GLN 133 Cb 0.14 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 3g17 s GLN 133 CO -0.06 0.61 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.52 3g17 s LEU 134 N -0.57 2.20 -0.15 3.68 1.43 -0.14 -1.59 118.68 123.54 3g17 s LEU 134 Ca 0.14 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3g17 s LEU 134 Cb -0.12 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.88 3g17 s LEU 134 CO 0.03 0.24 -0.07 -0.13 0.23 0.00 0.00 176.35 176.64 3g17 s ARG 135 N -1.40 1.61 0.26 1.70 0.52 -0.43 -0.96 118.95 120.25 3g17 s ARG 135 Ca 0.12 -0.48 0.09 0.00 -0.52 0.00 0.00 55.73 54.94 3g17 s ARG 135 Cb -0.10 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 3g17 s ARG 135 CO 0.03 -0.37 -0.13 0.42 0.02 0.00 0.00 175.30 175.27 3g17 s ILE 136 N 1.62 1.97 0.62 1.52 1.09 -0.70 -1.52 121.20 125.79 3g17 s ILE 136 Ca 0.02 -2.25 -0.18 0.00 -1.10 0.00 0.00 60.65 57.15 3g17 s ILE 136 Cb -0.14 -2.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.93 3g17 s ILE 136 CO -0.08 -0.43 0.79 1.67 -0.10 0.00 0.00 174.94 176.78 3g17 n GLN 137 N -0.54 0.67 -3.20 2.79 -0.06 -1.26 -1.26 117.38 114.52 3g17 n GLN 137 Ca -0.06 0.27 -0.39 0.00 -2.00 0.00 0.00 57.00 54.81 3g17 n GLN 137 Cb 0.61 -2.00 -0.06 0.00 -4.06 0.00 0.00 30.24 24.73 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 -1.30 6.68 0.20 1.69 3.68 -1.01 -4.59 116.67 122.01 3g17 s ASP 138 Ca 0.73 0.82 -0.15 0.00 2.13 0.00 0.00 52.55 56.08 3g17 s ASP 138 Cb -0.41 -2.32 0.06 0.00 -1.45 0.00 0.00 42.92 38.79 3g17 s ASP 138 CO 0.50 -0.16 0.75 -0.46 0.13 0.00 0.00 175.17 175.93 3g17 n ASN 139 N 4.47 -1.50 -0.20 -0.34 0.23 -1.26 -5.01 115.26 111.65 3g17 n ASN 139 Ca -0.04 -1.88 -0.04 0.00 -0.53 0.00 0.00 54.58 52.09 3g17 n ASN 139 Cb 0.51 2.46 0.06 0.00 -2.08 0.00 0.00 39.78 40.72 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 0.76 0.06 -2.53 0.00 -2.00 -2.99 119.26 114.55 3g17 h ALA 140 Ca -0.23 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 3g17 h ALA 140 Cb 0.95 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.61 3g17 h ALA 140 CO 0.30 0.05 -1.12 -0.07 0.00 0.00 0.00 179.25 178.40 3g17 h LEU 141 N 0.66 0.78 -1.14 0.00 3.38 -1.97 -2.52 115.31 114.49 3g17 h LEU 141 Ca 0.24 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3g17 h LEU 141 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3g17 h LEU 141 CO -0.12 1.49 -0.18 0.71 0.09 0.00 0.00 178.44 180.42 3g17 h THR 142 N 0.29 1.23 -0.28 0.22 1.35 -1.87 -1.30 112.91 112.55 3g17 h THR 142 Ca -0.14 -1.05 -0.03 0.00 -0.55 0.00 0.00 66.41 64.64 3g17 h THR 142 Cb 1.78 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 3g17 h THR 142 CO 0.21 0.33 0.07 -0.09 -0.25 0.00 0.00 175.52 175.79 3g17 h ARG 143 N 0.35 0.45 0.17 4.72 2.43 -1.49 0.79 114.38 121.80 3g17 h ARG 143 Ca 0.06 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3g17 h ARG 143 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3g17 h ARG 143 CO 0.03 0.54 -0.17 1.96 -1.51 0.00 0.00 179.97 180.82 3g17 h GLN 144 N 0.29 -0.36 -0.97 0.20 4.20 -1.15 -1.23 115.11 116.09 3g17 h GLN 144 Ca 0.09 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.83 3g17 h GLN 144 Cb 0.29 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3g17 h GLN 144 CO 0.00 -0.24 0.64 0.35 -0.67 0.00 0.00 178.83 178.91 3g17 h PHE 145 N -0.37 1.22 -0.55 2.96 3.57 -1.16 0.29 116.94 122.90 3g17 h PHE 145 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3g17 h PHE 145 Cb 0.35 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3g17 h PHE 145 CO -0.14 0.77 0.34 -0.09 -2.23 0.00 0.00 178.31 176.97 3g17 h ARG 146 N 1.32 0.67 -0.60 1.11 2.43 -0.66 -1.30 114.38 117.36 3g17 h ARG 146 Ca 0.35 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3g17 h ARG 146 Cb -0.14 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 3g17 h ARG 146 CO -0.08 0.45 0.23 -0.44 -1.51 0.00 0.00 179.97 178.61 3g17 h ASP 147 N 0.69 0.84 -0.06 -3.80 3.45 -0.14 0.53 116.42 117.92 3g17 h ASP 147 Ca 0.21 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.51 3g17 h ASP 147 Cb -0.03 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 3g17 h ASP 147 CO -0.07 0.79 0.05 0.25 -1.57 0.00 0.00 179.24 178.69 3g17 h LEU 148 N 0.83 0.00 -0.12 1.55 5.85 -0.08 -3.18 115.31 120.16 3g17 h LEU 148 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3g17 h LEU 148 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3g17 h LEU 148 CO -0.01 0.00 -0.32 0.52 -0.34 0.00 0.00 178.44 178.29 3g17 n VAL 149 N -4.39 0.00 0.17 1.05 0.31 -0.52 -4.67 118.33 110.29 3g17 n VAL 149 Ca -0.01 -0.34 0.18 0.00 -0.01 0.00 0.00 64.34 64.16 3g17 n VAL 149 Cb 0.15 1.02 0.76 0.00 -0.91 0.00 0.00 33.84 34.86 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 0.15 0.00 0.00 5.55 3.07 0.05 0.27 115.11 124.20 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 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.75 3g17 h GLN 150 CO 0.00 0.00 -0.08 -0.44 0.09 0.00 0.00 178.83 178.40 3g17 h ASP 151 N 0.00 0.00 -3.80 0.06 5.19 -1.83 -3.46 116.42 112.58 3g17 h ASP 151 Ca 0.13 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.07 3g17 h ASP 151 Cb 0.96 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.53 3g17 h ASP 151 CO -0.00 0.08 0.22 -0.94 -3.12 0.00 0.00 179.24 175.48 3g17 s SER 152 N -5.83 5.38 0.62 6.45 1.04 0.95 -4.95 113.70 117.36 3g17 s SER 152 Ca -0.01 0.71 0.39 0.00 0.48 0.00 0.00 55.95 57.52 3g17 s SER 152 Cb 0.11 -1.59 2.04 0.00 0.10 0.00 0.00 66.02 66.68 3g17 s SER 152 CO 0.55 -1.23 2.25 -0.61 0.98 0.00 0.00 173.24 175.18 3g17 h GLN 153 N -0.35 0.00 -6.31 4.02 5.75 -1.86 -3.42 115.11 112.95 3g17 h GLN 153 Ca -0.45 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.48 3g17 h GLN 153 Cb 1.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 3g17 h GLN 153 CO 0.61 0.02 1.10 0.42 -2.65 0.00 0.00 178.83 178.33 3g17 s ILE 154 N -4.11 3.77 -0.14 2.39 -1.09 -1.26 -4.85 121.20 115.91 3g17 s ILE 154 Ca -0.03 0.86 -0.25 0.00 -2.23 0.00 0.00 60.65 58.99 3g17 s ILE 154 Cb 0.12 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3g17 s ILE 154 CO 0.47 -0.36 0.82 -0.62 -1.23 0.00 0.00 174.94 174.03 3g17 s ASP 155 N 4.06 7.00 -0.08 3.58 2.15 -0.36 -4.81 116.67 128.21 3g17 s ASP 155 Ca 0.69 1.22 -0.01 0.00 0.43 0.00 0.00 52.55 54.88 3g17 s ASP 155 Cb -0.23 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 39.90 3g17 s ASP 155 CO 0.28 -0.34 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.30 3g17 s ILE 156 N 1.83 4.16 -0.03 4.11 -1.09 -1.26 -0.96 121.20 127.96 3g17 s ILE 156 Ca 0.39 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3g17 s ILE 156 Cb -0.17 -2.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 3g17 s ILE 156 CO 0.15 0.59 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.70 3g17 s VAL 157 N -0.88 0.50 0.06 2.92 1.01 -0.14 -4.96 120.40 118.91 3g17 s VAL 157 Ca 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.00 3g17 s VAL 157 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3g17 s VAL 157 CO 0.03 0.19 -0.09 -0.76 0.00 0.00 0.00 175.10 174.46 3g17 s LEU 158 N 0.47 3.06 0.13 3.92 1.43 -1.26 -1.72 118.68 124.70 3g17 s LEU 158 Ca -0.06 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3g17 s LEU 158 Cb -0.10 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3g17 s LEU 158 CO -0.00 0.23 -0.24 -1.61 0.23 0.00 0.00 176.35 174.95 3g17 s GLU 159 N -1.81 1.31 0.00 1.70 8.01 -0.39 -4.90 118.70 122.61 3g17 s GLU 159 Ca 0.19 -1.30 0.00 0.00 0.01 0.00 0.00 54.97 53.87 3g17 s GLU 159 Cb -0.11 -1.70 0.00 0.00 -4.31 0.00 0.00 34.13 28.01 3g17 s GLU 159 CO 0.11 0.40 0.86 0.00 0.01 0.00 0.00 175.26 176.64 3g17 n ALA 160 N 0.91 -0.29 -2.58 5.21 0.00 -1.26 -2.41 120.51 120.09 3g17 n ALA 160 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 3g17 n ALA 160 Cb 0.53 0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 3g17 n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g17 s ASN 161 N -2.20 4.44 0.03 0.00 2.20 -1.26 -4.63 114.94 113.52 3g17 s ASN 161 Ca 0.00 -0.30 0.02 0.00 -0.94 0.00 0.00 52.86 51.64 3g17 s ASN 161 Cb 0.00 -0.91 -0.25 0.00 -2.00 0.00 0.00 41.25 38.08 3g17 s ASN 161 CO 0.00 0.22 0.93 -0.29 -2.94 0.00 0.00 177.10 175.02 3g17 h ILE 162 N 3.45 1.25 -0.80 0.54 6.09 -1.93 -3.36 117.51 122.75 3g17 h ILE 162 Ca -0.48 -2.94 0.19 0.00 -1.37 0.00 0.00 64.86 60.26 3g17 h ILE 162 Cb 1.17 2.73 -0.13 0.00 0.47 0.00 0.00 36.82 41.06 3g17 h ILE 162 CO 0.53 0.80 0.12 1.56 -3.07 0.00 0.00 178.15 178.09 3g17 h GLN 163 N 0.04 0.17 -0.78 2.19 7.50 -1.99 0.26 115.11 122.50 3g17 h GLN 163 Ca -0.19 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 58.98 3g17 h GLN 163 Cb 1.96 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 29.40 3g17 h GLN 163 CO 0.14 0.11 0.49 0.37 -1.50 0.00 0.00 178.83 178.44 3g17 h GLN 164 N 0.17 0.92 -0.32 1.46 4.15 -2.00 -0.88 115.11 118.61 3g17 h GLN 164 Ca 0.46 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.69 3g17 h GLN 164 Cb 0.86 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3g17 h GLN 164 CO -0.64 0.61 -0.37 0.00 -1.93 0.00 0.00 178.83 176.50 3g17 h ALA 165 N 1.34 0.74 0.46 3.38 0.00 -0.75 -2.28 119.26 122.14 3g17 h ALA 165 Ca 0.32 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3g17 h ALA 165 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g17 h ALA 165 CO -0.12 0.66 -0.22 0.82 0.00 0.00 0.00 179.25 180.39 3g17 h ILE 166 N 0.62 0.00 -1.53 0.00 2.04 -0.84 -1.99 117.51 115.82 3g17 h ILE 166 Ca 0.06 -0.19 0.46 0.00 1.00 0.00 0.00 64.86 66.19 3g17 h ILE 166 Cb 0.91 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 3g17 h ILE 166 CO 0.08 0.00 1.05 -0.50 0.00 0.00 0.00 178.15 178.79 3g17 h TRP 167 N -0.81 0.24 -0.07 1.37 4.06 -1.25 0.20 115.95 119.69 3g17 h TRP 167 Ca -0.06 0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.73 3g17 h TRP 167 Cb 0.47 -0.06 0.01 0.00 -1.00 0.00 0.00 29.16 28.58 3g17 h TRP 167 CO 0.06 -0.08 -0.63 -0.92 -3.56 0.00 0.00 178.44 173.31 3g17 h TYR 168 N 0.05 0.76 -0.90 0.49 3.20 -1.28 -3.04 116.97 116.25 3g17 h TYR 168 Ca 0.81 -0.37 -0.00 0.00 3.14 0.00 0.00 58.73 62.31 3g17 h TYR 168 Cb 2.91 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 41.03 3g17 h TYR 168 CO -0.00 1.17 0.55 -0.22 -1.64 0.00 0.00 178.16 178.02 3g17 h LYS 169 N 0.14 1.22 -0.32 1.82 1.63 0.08 -1.88 116.57 119.26 3g17 h LYS 169 Ca -0.06 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.69 3g17 h LYS 169 Cb 1.29 -0.26 -0.08 0.00 -0.60 0.00 0.00 32.23 32.58 3g17 h LYS 169 CO 0.13 0.85 -0.46 -0.07 -3.45 0.00 0.00 179.45 176.45 3g17 h LEU 170 N 1.24 -1.49 -0.82 5.20 3.38 -1.03 0.15 115.31 121.94 3g17 h LEU 170 Ca 0.33 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.54 3g17 h LEU 170 Cb -0.07 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3g17 h LEU 170 CO -0.06 -0.40 0.53 -0.07 0.09 0.00 0.00 178.44 178.53 3g17 h LEU 171 N -0.40 0.87 -0.21 1.67 -0.00 -1.37 0.77 115.31 116.65 3g17 h LEU 171 Ca 0.10 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.00 3g17 h LEU 171 Cb 0.61 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 3g17 h LEU 171 CO -0.52 0.60 0.08 0.58 -0.00 0.00 0.00 178.44 179.18 3g17 h VAL 172 N 1.03 0.96 0.51 1.22 2.07 -0.62 -0.32 116.25 121.10 3g17 h VAL 172 Ca 0.33 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 3g17 h VAL 172 Cb 0.01 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3g17 h VAL 172 CO -0.11 0.03 -0.42 0.78 0.02 0.00 0.00 177.57 177.87 3g17 h ASN 173 N 0.19 -1.11 -0.94 0.57 2.35 -0.02 -3.10 115.58 113.52 3g17 h ASN 173 Ca 0.09 0.08 0.28 0.00 -0.55 0.00 0.00 56.30 56.20 3g17 h ASN 173 Cb 0.05 0.35 -0.15 0.00 0.05 0.00 0.00 38.32 38.62 3g17 h ASN 173 CO -0.08 -0.60 0.33 0.25 -1.65 0.00 0.00 177.43 175.68 3g17 h LEU 174 N -0.92 0.13 0.00 1.61 5.85 0.92 -1.21 115.31 121.69 3g17 h LEU 174 Ca -0.06 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3g17 h LEU 174 Cb 0.79 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3g17 h LEU 174 CO -0.01 -0.19 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 3g17 n GLY 175 N -1.36 -1.09 0.15 3.75 0.00 -0.16 -3.72 105.19 102.76 3g17 n GLY 175 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 1.24 -0.11 -0.61 6.09 -1.53 -2.94 117.51 119.65 3g17 h ILE 176 Ca 0.00 -2.03 -0.06 0.00 -1.37 0.00 0.00 64.86 61.40 3g17 h ILE 176 Cb 0.00 2.15 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 3g17 h ILE 176 CO 0.00 0.55 -0.17 0.78 -3.07 0.00 0.00 178.15 176.24 3g17 h ASN 177 N 0.00 0.34 -0.36 2.19 4.21 -1.42 -2.24 115.58 118.30 3g17 h ASN 177 Ca -0.01 -0.53 0.05 0.00 1.21 0.00 0.00 56.30 57.02 3g17 h ASN 177 Cb 1.10 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 38.16 3g17 h ASN 177 CO 0.07 0.80 0.09 0.28 -1.29 0.00 0.00 177.43 177.39 3g17 h SER 178 N -0.12 0.06 -0.08 5.81 0.02 -1.63 0.30 113.55 117.92 3g17 h SER 178 Ca 0.01 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3g17 h SER 178 Cb 0.73 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3g17 h SER 178 CO 0.04 0.07 0.04 0.40 -1.14 0.00 0.00 176.83 176.24 3g17 h ILE 179 N 0.22 1.07 -0.51 3.27 5.03 -1.49 -1.23 117.51 123.87 3g17 h ILE 179 Ca 0.17 -0.19 -0.11 0.00 -0.12 0.00 0.00 64.86 64.61 3g17 h ILE 179 Cb 0.18 1.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 3g17 h ILE 179 CO -0.20 0.06 -0.10 0.71 -0.68 0.00 0.00 178.15 177.94 3g17 h THR 180 N 0.05 1.26 0.32 -0.27 1.35 -1.35 -0.73 112.91 113.54 3g17 h THR 180 Ca 0.03 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 3g17 h THR 180 Cb 0.06 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3g17 h THR 180 CO -0.00 0.43 -0.16 0.00 -0.25 0.00 0.00 175.52 175.54 3g17 h ALA 181 N 1.04 -0.43 -0.54 6.62 0.00 -0.78 -0.91 119.26 124.25 3g17 h ALA 181 Ca 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3g17 h ALA 181 Cb 0.64 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3g17 h ALA 181 CO 0.04 -0.56 0.08 -0.07 0.00 0.00 0.00 179.25 178.74 3g17 h LEU 182 N -0.80 0.81 -0.43 0.00 3.38 -1.31 -2.05 115.31 114.91 3g17 h LEU 182 Ca -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3g17 h LEU 182 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g17 h LEU 182 CO 0.07 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.04 3g17 n GLY 183 N -0.73 -1.42 2.55 0.83 0.00 -0.28 -4.92 105.19 101.21 3g17 n GLY 183 Ca 0.03 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3g17 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g17 n ARG 184 N -2.21 -2.39 -4.25 1.61 3.00 -0.38 -5.00 116.66 107.04 3g17 n ARG 184 Ca 0.03 0.74 -0.14 0.00 -0.01 0.00 0.00 57.85 58.47 3g17 n ARG 184 Cb 0.30 -5.39 -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 1.14 0.00 0.00 0.00 177.63 178.77 3g17 s GLN 185 N -5.17 1.24 1.23 5.56 -2.07 -1.03 -5.04 119.66 114.38 3g17 s GLN 185 Ca 0.06 -1.65 -0.21 0.00 -1.82 0.00 0.00 55.36 51.75 3g17 s GLN 185 Cb -0.03 -0.07 0.32 0.00 -1.09 0.00 0.00 33.01 32.14 3g17 s GLN 185 CO 0.07 -0.28 0.83 0.25 -1.32 0.00 0.00 175.29 174.83 3g17 n THR 186 N -0.33 0.00 0.32 3.63 -2.24 -1.26 -4.58 114.28 109.82 3g17 n THR 186 Ca -0.01 -0.13 0.21 0.00 -2.27 0.00 0.00 64.05 61.84 3g17 n THR 186 Cb 0.65 -0.97 1.08 0.00 -2.10 0.00 0.00 70.33 68.99 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 -3.19 0.08 0.00 2.28 2.07 -1.30 -2.37 116.25 113.83 3g17 h VAL 187 Ca -0.35 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3g17 h VAL 187 Cb 1.15 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3g17 h VAL 187 CO 0.22 0.01 0.79 0.00 0.02 0.00 0.00 177.57 178.61 3g17 h ALA 188 N 1.99 1.77 0.00 1.67 0.00 -1.79 0.29 119.26 123.19 3g17 h ALA 188 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3g17 h ALA 188 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3g17 h ALA 188 CO 0.00 -0.77 -0.30 0.97 0.00 0.00 0.00 179.25 179.15 3g17 h ILE 189 N 0.00 1.04 0.00 0.00 2.10 -1.74 -2.89 117.51 116.02 3g17 h ILE 189 Ca 0.00 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.86 3g17 h ILE 189 Cb 1.59 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 3g17 h ILE 189 CO 0.00 0.29 0.00 0.23 -1.08 0.00 0.00 178.15 177.59 3g17 n MET 190 N -3.93 0.09 -0.33 2.19 2.81 0.10 -2.15 117.12 115.89 3g17 n MET 190 Ca -0.02 0.37 -0.01 0.00 -1.81 0.00 0.00 57.70 56.23 3g17 n MET 190 Cb 0.37 -1.68 0.16 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.16 -1.87 2.03 3.86 -1.70 -3.40 115.15 115.23 3g17 h HIS 191 Ca 0.00 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.64 3g17 h HIS 191 Cb 0.26 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3g17 h HIS 191 CO 0.00 0.73 1.40 0.09 0.86 0.00 0.00 177.93 181.01 3g17 n ASN 192 N -4.40 3.21 -0.08 2.45 3.02 -0.92 -4.89 115.26 113.66 3g17 n ASN 192 Ca 0.11 0.43 0.10 0.00 -0.03 0.00 0.00 54.58 55.18 3g17 n ASN 192 Cb 0.02 -1.48 0.47 0.00 -0.61 0.00 0.00 39.78 38.18 3g17 n ASN 192 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3g17 h PRO 193 N 13.28 0.46 0.00 3.52 0.11 -1.90 -0.35 132.00 147.13 3g17 h PRO 193 Ca -0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3g17 h PRO 193 Cb 1.26 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3g17 h PRO 193 CO 0.97 0.30 -0.16 0.93 -0.21 0.00 0.00 178.00 179.83 3g17 h GLU 194 N 0.47 0.00 -0.04 1.05 3.07 -1.95 -2.48 114.58 114.71 3g17 h GLU 194 Ca 0.26 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 3g17 h GLU 194 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3g17 h GLU 194 CO -0.07 0.16 -0.31 0.82 -1.40 0.00 0.00 179.01 178.20 3g17 h ILE 195 N 0.00 1.47 -0.56 3.13 1.08 -1.40 -2.20 117.51 119.03 3g17 h ILE 195 Ca -0.00 -1.82 0.06 0.00 -0.39 0.00 0.00 64.86 62.71 3g17 h ILE 195 Cb 0.31 2.50 -0.05 0.00 -3.07 0.00 0.00 36.82 36.51 3g17 h ILE 195 CO 0.02 0.51 0.26 0.03 -0.69 0.00 0.00 178.15 178.28 3g17 h ARG 196 N -0.28 0.47 -0.20 2.37 3.08 -1.34 0.44 114.38 118.91 3g17 h ARG 196 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3g17 h ARG 196 Cb 1.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3g17 h ARG 196 CO 0.06 0.31 -0.13 -0.84 -1.07 0.00 0.00 179.97 178.30 3g17 h ILE 197 N 0.48 1.20 -0.07 2.04 -0.00 -1.49 -1.69 117.51 117.98 3g17 h ILE 197 Ca 0.26 -0.89 -0.01 0.00 -0.00 0.00 0.00 64.86 64.22 3g17 h ILE 197 Cb 0.23 1.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.24 3g17 h ILE 197 CO -0.21 0.28 -0.00 0.25 -0.00 0.00 0.00 178.15 178.47 3g17 h LEU 198 N 0.31 0.12 -0.57 0.16 5.85 -0.40 -2.00 115.31 118.77 3g17 h LEU 198 Ca 0.06 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.58 3g17 h LEU 198 Cb 0.43 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 3g17 h LEU 198 CO 0.02 0.40 -0.07 0.00 -0.34 0.00 0.00 178.44 178.46 3g17 h ARG 200 N 0.05 0.08 -0.69 0.00 2.43 -1.26 -1.19 114.38 113.80 3g17 h ARG 200 Ca 0.28 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3g17 h ARG 200 Cb 0.45 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3g17 h ARG 200 CO -0.54 0.05 0.45 1.96 -1.51 0.00 0.00 179.97 180.39 3g17 h GLN 201 N 0.08 0.83 -0.12 0.20 1.08 -0.69 0.34 115.11 116.82 3g17 h GLN 201 Ca 0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3g17 h GLN 201 Cb 0.03 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3g17 h GLN 201 CO -0.06 0.55 -0.09 1.25 -0.95 0.00 0.00 178.83 179.53 3g17 h LEU 202 N 0.85 0.28 -0.42 1.46 5.85 -0.97 -1.80 115.31 120.56 3g17 h LEU 202 Ca 0.27 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3g17 h LEU 202 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3g17 h LEU 202 CO -0.07 0.67 0.26 -0.07 -0.34 0.00 0.00 178.44 178.89 3g17 h LEU 203 N -0.11 0.42 -0.79 2.25 3.38 -0.58 -0.08 115.31 119.79 3g17 h LEU 203 Ca 0.02 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.12 3g17 h LEU 203 Cb 0.58 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 3g17 h LEU 203 CO 0.02 0.31 0.38 -0.07 0.09 0.00 0.00 178.44 179.17 3g17 h LEU 204 N 0.52 0.45 -1.19 1.67 3.38 -0.36 0.16 115.31 119.94 3g17 h LEU 204 Ca 0.16 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3g17 h LEU 204 Cb -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3g17 h LEU 204 CO -0.07 0.20 0.55 0.44 0.09 0.00 0.00 178.44 179.66 3g17 h ASP 205 N 0.57 0.95 0.49 -0.43 5.19 -0.40 -2.36 116.42 120.44 3g17 h ASP 205 Ca 0.43 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 3g17 h ASP 205 Cb 0.58 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3g17 h ASP 205 CO -0.35 0.69 -0.48 1.23 -3.12 0.00 0.00 179.24 177.20 3g17 h GLY 206 N 1.12 -1.25 0.03 2.75 0.00 0.11 -2.96 103.07 102.88 3g17 h GLY 206 Ca 0.30 0.58 0.12 0.00 0.00 0.00 0.00 47.33 48.33 3g17 h GLY 206 CO -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.10 3g17 h ARG 208 N 0.12 0.00 0.10 0.00 2.43 -1.30 1.36 114.38 117.09 3g17 h ARG 208 Ca 0.30 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.14 3g17 h ARG 208 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3g17 h ARG 208 CO -0.49 0.00 -1.76 0.28 -1.51 0.00 0.00 179.97 176.49 3g17 h VAL 209 N 0.00 0.75 0.27 0.20 2.07 -0.13 -3.20 116.25 116.20 3g17 h VAL 209 Ca 0.38 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 65.59 3g17 h VAL 209 Cb 1.80 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 34.01 3g17 h VAL 209 CO -0.00 0.75 -0.42 0.00 0.02 0.00 0.00 177.57 177.91 3g17 h ALA 210 N -0.07 -0.83 -0.84 1.67 0.00 0.16 -3.08 119.26 116.27 3g17 h ALA 210 Ca -0.39 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.56 3g17 h ALA 210 Cb 1.85 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 20.20 3g17 h ALA 210 CO 0.02 -1.02 0.42 1.96 0.00 0.00 0.00 179.25 180.64 3g17 h GLN 211 N -0.75 0.58 -0.14 0.00 4.20 0.15 0.60 115.11 119.75 3g17 h GLN 211 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3g17 h GLN 211 Cb 0.72 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3g17 h GLN 211 CO -0.16 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 3g17 n ALA 212 N -2.43 1.94 -1.52 3.87 0.00 -1.17 -2.65 120.51 118.56 3g17 n ALA 212 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3g17 n ALA 212 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3g17 n ALA 212 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g17 n GLU 213 N -0.30 0.00 0.00 0.00 1.02 0.18 -5.04 120.64 116.50 3g17 n GLU 213 Ca 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3g17 n GLU 213 Cb 0.03 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 3g17 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g17 n GLY 214 N 0.00 0.97 3.71 0.62 0.00 0.69 -5.05 105.19 106.13 3g17 n GLY 214 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3g17 n GLY 214 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g17 s SER 218 N 0.00 -0.37 0.60 1.61 1.04 -1.26 -4.53 113.70 110.79 3g17 s SER 218 Ca 0.00 -0.40 0.34 0.00 0.48 0.00 0.00 55.95 56.37 3g17 s SER 218 Cb 0.00 0.68 1.94 0.00 0.10 0.00 0.00 66.02 68.75 3g17 s SER 218 CO 0.00 -1.22 2.26 1.05 0.98 0.00 0.00 173.24 176.31 3g17 h GLU 219 N 2.00 0.00 -0.24 4.02 9.09 -2.01 -2.67 114.58 124.78 3g17 h GLU 219 Ca -0.24 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 58.97 3g17 h GLU 219 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 3g17 h GLU 219 CO 0.28 0.02 -0.63 -0.56 0.05 0.00 0.00 179.01 178.17 3g17 h GLN 220 N 0.00 0.85 -0.90 1.06 -0.00 -2.05 -3.10 115.11 110.97 3g17 h GLN 220 Ca -0.00 -0.59 0.13 0.00 -0.00 0.00 0.00 58.65 58.19 3g17 h GLN 220 Cb 0.07 0.09 -0.09 0.00 -0.00 0.00 0.00 27.48 27.55 3g17 h GLN 220 CO 0.00 1.22 0.52 1.15 -0.00 0.00 0.00 178.83 181.71 3g17 h THR 221 N 0.63 0.82 -0.96 1.86 2.02 -1.94 -1.93 112.91 113.41 3g17 h THR 221 Ca -0.01 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 66.98 3g17 h THR 221 Cb 1.25 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 3g17 h THR 221 CO 0.14 0.14 0.62 0.58 0.37 0.00 0.00 175.52 177.37 3g17 h VAL 222 N 0.78 1.03 -0.71 3.16 2.07 -1.62 -2.64 116.25 118.32 3g17 h VAL 222 Ca 0.47 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 3g17 h VAL 222 Cb 0.57 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3g17 h VAL 222 CO -0.31 0.19 0.17 0.44 0.02 0.00 0.00 177.57 178.09 3g17 h ASP 223 N 1.06 1.07 -0.42 0.57 3.32 -1.43 -1.47 116.42 119.12 3g17 h ASP 223 Ca 0.43 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3g17 h ASP 223 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3g17 h ASP 223 CO -0.18 1.02 0.05 0.71 -1.72 0.00 0.00 179.24 179.12 3g17 h THR 224 N 1.07 1.25 -0.19 0.35 1.35 -1.46 0.08 112.91 115.36 3g17 h THR 224 Ca 0.22 -0.91 0.04 0.00 -0.55 0.00 0.00 66.41 65.22 3g17 h THR 224 Cb 0.37 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.77 3g17 h THR 224 CO 0.00 0.31 -0.09 0.40 -0.25 0.00 0.00 175.52 175.89 3g17 h ILE 225 N 0.55 0.70 -0.68 6.82 2.04 -1.36 0.10 117.51 125.68 3g17 h ILE 225 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 3g17 h ILE 225 Cb 0.40 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3g17 h ILE 225 CO 0.01 0.00 0.39 0.24 0.00 0.00 0.00 178.15 178.79 3g17 h MET 226 N -0.07 0.70 -0.35 2.37 2.86 -0.93 -2.47 114.93 117.04 3g17 h MET 226 Ca 0.10 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3g17 h MET 226 Cb 0.23 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3g17 h MET 226 CO -0.24 0.46 0.17 1.15 1.06 0.00 0.00 176.91 179.52 3g17 h THR 227 N 0.72 0.98 -0.75 2.22 2.02 -0.32 -2.58 112.91 115.20 3g17 h THR 227 Ca 0.30 -0.12 0.17 0.00 0.77 0.00 0.00 66.41 67.53 3g17 h THR 227 Cb 0.17 0.59 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 3g17 h THR 227 CO -0.17 0.07 0.17 0.40 0.37 0.00 0.00 175.52 176.36 3g17 h ILE 228 N 0.36 0.49 -0.40 3.11 2.04 -0.36 -2.20 117.51 120.55 3g17 h ILE 228 Ca 0.15 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3g17 h ILE 228 Cb 0.06 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3g17 h ILE 228 CO -0.10 0.05 0.14 1.88 0.00 0.00 0.00 178.15 180.11 3g17 h TYR 229 N 0.26 0.25 -0.41 1.37 0.99 -1.23 -1.21 116.97 116.99 3g17 h TYR 229 Ca 0.43 0.02 0.12 0.00 2.00 0.00 0.00 58.73 61.30 3g17 h TYR 229 Cb 0.74 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 38.40 3g17 h TYR 229 CO -0.27 0.10 0.46 1.96 -0.00 0.00 0.00 178.16 180.41 3g17 h GLN 230 N 0.30 0.00 -0.13 4.88 4.20 -1.19 0.34 115.11 123.50 3g17 h GLN 230 Ca 0.19 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3g17 h GLN 230 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3g17 h GLN 230 CO -0.19 0.00 -0.28 0.78 -0.67 0.00 0.00 178.83 178.47 3g17 h GLY 231 N 0.00 0.27 -3.85 3.46 0.00 -1.15 -3.45 103.07 98.35 3g17 h GLY 231 Ca 0.19 -0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 3g17 h GLY 231 CO -0.00 0.19 0.66 -0.19 0.00 0.00 0.00 176.54 177.20 3g17 s TYR 232 N -4.42 2.95 0.88 5.60 2.02 0.12 -5.02 117.35 119.48 3g17 s TYR 232 Ca -0.05 1.37 -0.14 0.00 -0.37 0.00 0.00 57.07 57.89 3g17 s TYR 232 Cb 0.14 -3.74 0.13 0.00 -0.40 0.00 0.00 41.96 38.10 3g17 s TYR 232 CO 0.75 -2.07 1.24 -1.25 -1.57 0.00 0.00 175.55 172.65 3g17 s PRO 233 N -1.89 1.34 0.15 -1.71 0.04 -1.26 -4.99 135.00 126.68 3g17 s PRO 233 Ca 0.50 -0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.39 3g17 s PRO 233 Cb -0.41 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3g17 s PRO 233 CO 0.54 -1.99 1.38 -0.44 0.04 0.00 0.00 177.00 176.54 3g17 h ASP 234 N -1.34 0.64 0.89 6.66 3.32 -1.95 -3.12 116.42 121.52 3g17 h ASP 234 Ca -0.46 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.17 3g17 h ASP 234 Cb 1.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3g17 h ASP 234 CO 0.54 1.19 0.00 -1.84 -1.72 0.00 0.00 179.24 177.41 3g17 n GLU 235 N -3.86 0.03 -2.63 3.56 -0.00 -1.26 -3.01 120.64 113.47 3g17 n GLU 235 Ca -0.06 0.11 -0.43 0.00 -0.00 0.00 0.00 57.16 56.79 3g17 n GLU 235 Cb 0.73 -1.55 -0.02 0.00 -0.00 0.00 0.00 31.44 30.60 3g17 n GLU 235 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 3g17 s MET 236 N -3.02 4.36 0.37 3.44 1.75 -1.18 -4.86 119.30 120.15 3g17 s MET 236 Ca 0.11 1.44 0.03 0.00 -1.25 0.00 0.00 55.69 56.02 3g17 s MET 236 Cb 0.15 -3.59 -0.01 0.00 2.84 0.00 0.00 34.83 34.22 3g17 s MET 236 CO 0.45 -0.45 0.55 0.20 -0.65 0.00 0.00 175.02 175.12 3g17 s GLY 237 N 1.24 1.49 0.41 2.11 0.00 -1.26 -1.53 107.32 109.78 3g17 s GLY 237 Ca 0.49 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 44.08 3g17 s GLY 237 CO 0.15 -1.09 0.57 -0.51 0.00 0.00 0.00 173.10 172.23 3g17 s THR 238 N -2.32 3.38 0.23 0.90 -4.23 -1.26 -4.88 115.64 107.47 3g17 s THR 238 Ca 0.44 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 3g17 s THR 238 Cb -0.10 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.71 3g17 s THR 238 CO 0.34 -0.08 1.77 0.77 -0.54 0.00 0.00 174.62 176.88 3g17 h SER 239 N 0.63 0.98 -0.05 3.99 4.64 -1.97 -0.95 113.55 120.83 3g17 h SER 239 Ca -0.43 -0.19 -0.13 0.00 -0.47 0.00 0.00 61.79 60.58 3g17 h SER 239 Cb 1.27 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3g17 h SER 239 CO 0.49 0.93 -0.39 -0.03 -0.87 0.00 0.00 176.83 176.97 3g17 h MET 240 N 1.00 0.56 -0.87 4.77 1.85 -1.96 -2.31 114.93 117.97 3g17 h MET 240 Ca 0.22 -0.28 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 3g17 h MET 240 Cb 0.32 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.31 3g17 h MET 240 CO -0.00 0.86 0.50 -0.92 -0.40 0.00 0.00 176.91 176.95 3g17 h TYR 241 N 0.47 1.17 -0.18 1.39 3.20 -1.66 -1.65 116.97 119.71 3g17 h TYR 241 Ca 0.04 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3g17 h TYR 241 Cb 0.88 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3g17 h TYR 241 CO 0.03 0.79 -0.47 1.88 -1.64 0.00 0.00 178.16 178.76 3g17 h TYR 242 N 1.21 0.56 -0.16 -3.82 0.05 -0.94 -2.40 116.97 111.47 3g17 h TYR 242 Ca 0.31 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 3g17 h TYR 242 Cb -0.01 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 3g17 h TYR 242 CO 0.01 0.85 -0.08 -0.44 -1.05 0.00 0.00 178.16 177.45 3g17 h ASP 243 N 0.37 0.34 -0.35 3.88 3.32 -1.22 -2.14 116.42 120.62 3g17 h ASP 243 Ca 0.02 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3g17 h ASP 243 Cb 0.97 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3g17 h ASP 243 CO 0.08 0.68 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.92 3g17 h ILE 244 N 0.00 1.25 -0.03 0.35 2.10 -1.28 0.31 117.51 120.22 3g17 h ILE 244 Ca 0.03 -1.12 -0.16 0.00 1.08 0.00 0.00 64.86 64.70 3g17 h ILE 244 Cb 0.55 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.27 3g17 h ILE 244 CO 0.02 0.39 -0.70 0.58 -1.08 0.00 0.00 178.15 177.36 3g17 h VAL 245 N 0.71 1.45 -0.39 2.19 2.07 -1.44 -2.55 116.25 118.29 3g17 h VAL 245 Ca 0.13 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3g17 h VAL 245 Cb 0.55 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3g17 h VAL 245 CO 0.03 0.66 0.00 1.41 0.02 0.00 0.00 177.57 179.69 3g17 n HIS 246 N -3.77 0.56 -3.23 1.57 8.25 -0.81 -4.93 115.22 112.86 3g17 n HIS 246 Ca -0.02 -0.27 -0.23 0.00 -0.26 0.00 0.00 57.72 56.94 3g17 n HIS 246 Cb 0.68 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.79 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 0.64 -4.40 -2.36 -0.41 6.02 -0.67 -4.99 117.38 111.21 3g17 n GLN 247 Ca 0.13 0.70 -0.25 0.00 -0.01 0.00 0.00 57.00 57.58 3g17 n GLN 247 Cb 0.35 -5.51 0.05 0.00 1.02 0.00 0.00 30.24 26.16 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 -5.90 2.41 0.81 -1.09 -1.52 1.00 -5.01 119.66 110.36 3g17 s GLN 248 Ca 0.37 -0.36 -0.11 0.00 -1.95 0.00 0.00 55.36 53.32 3g17 s GLN 248 Cb -0.18 -2.27 0.08 0.00 -0.22 0.00 0.00 33.01 30.42 3g17 s GLN 248 CO 0.46 -1.01 1.10 -2.14 -0.25 0.00 0.00 175.29 173.45 3g17 s PRO 249 N -5.07 1.92 0.17 2.91 0.02 -1.26 -4.57 135.00 129.12 3g17 s PRO 249 Ca 0.58 1.20 0.07 0.00 0.02 0.00 0.00 61.00 62.86 3g17 s PRO 249 Cb -0.11 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 3g17 s PRO 249 CO 0.43 -1.89 0.04 -0.51 -0.33 0.00 0.00 177.00 174.74 3g17 s LEU 250 N -6.08 3.46 0.00 -5.54 1.43 -1.26 -4.85 118.68 105.85 3g17 s LEU 250 Ca 0.62 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3g17 s LEU 250 Cb -0.18 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3g17 s LEU 250 CO 0.57 0.08 0.49 -0.62 0.23 0.00 0.00 176.35 177.09 3g17 n GLU 251 N -0.21 0.76 -0.25 1.70 1.02 -1.26 -4.58 120.64 117.81 3g17 n GLU 251 Ca -0.09 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3g17 n GLU 251 Cb 0.55 -1.27 0.17 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.00 0.73 -0.08 2.62 3.04 -1.95 -2.50 116.25 118.11 3g17 h VAL 252 Ca 0.00 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.50 3g17 h VAL 252 Cb 0.27 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 3g17 h VAL 252 CO 0.00 0.09 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.28 3g17 h GLU 253 N 0.51 0.12 0.00 4.17 4.39 -1.96 -0.13 114.58 121.67 3g17 h GLU 253 Ca 0.39 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3g17 h GLU 253 Cb 0.53 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3g17 h GLU 253 CO -0.35 0.17 -0.65 0.00 -1.16 0.00 0.00 179.01 177.03 3g17 h ALA 254 N 1.84 0.65 -3.00 3.43 0.00 -1.83 -2.17 119.26 118.19 3g17 h ALA 254 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g17 h ALA 254 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3g17 h ALA 254 CO 0.01 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.37 3g17 n ILE 255 N -2.63 0.00 -0.36 0.00 5.41 -0.80 -4.27 119.36 116.71 3g17 n ILE 255 Ca 0.02 0.00 0.27 0.00 1.00 0.00 0.00 62.75 64.04 3g17 n ILE 255 Cb 0.52 0.00 0.53 0.00 -0.71 0.00 0.00 39.64 39.98 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 0.29 -0.14 0.38 7.50 -1.77 0.83 115.11 122.20 3g17 h GLN 256 Ca 0.00 -0.02 -0.16 0.00 0.50 0.00 0.00 58.65 58.97 3g17 h GLN 256 Cb 0.00 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 3g17 h GLN 256 CO 0.00 0.19 -0.58 0.78 -1.50 0.00 0.00 178.83 177.72 3g17 h GLY 257 N 0.30 0.48 0.93 3.46 0.00 -1.15 -1.87 103.07 105.22 3g17 h GLY 257 Ca 0.70 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3g17 h GLY 257 CO -0.42 0.52 0.05 -2.75 0.00 0.00 0.00 176.54 173.94 3g17 h PHE 258 N 0.33 0.13 0.08 5.60 3.04 -0.15 -1.06 116.94 124.90 3g17 h PHE 258 Ca -0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 3g17 h PHE 258 Cb 1.12 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.59 3g17 h PHE 258 CO 0.04 0.16 -0.04 0.82 -2.02 0.00 0.00 178.31 177.27 3g17 h ILE 259 N 0.06 1.00 -0.86 1.41 2.04 -1.33 -1.39 117.51 118.44 3g17 h ILE 259 Ca 0.03 -0.27 0.16 0.00 1.00 0.00 0.00 64.86 65.78 3g17 h ILE 259 Cb 0.08 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 37.24 3g17 h ILE 259 CO -0.01 0.07 0.44 0.22 0.00 0.00 0.00 178.15 178.87 3g17 h TYR 260 N -0.23 0.77 -0.48 1.37 5.03 -1.34 0.88 116.97 122.98 3g17 h TYR 260 Ca -0.01 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.22 3g17 h TYR 260 Cb 0.19 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 3g17 h TYR 260 CO -0.03 0.16 -0.16 0.00 -1.32 0.00 0.00 178.16 176.81 3g17 h ARG 261 N 0.61 0.95 -0.45 1.82 3.08 -0.62 -2.21 114.38 117.56 3g17 h ARG 261 Ca 0.48 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3g17 h ARG 261 Cb 0.71 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3g17 h ARG 261 CO -0.38 1.05 0.21 0.00 -1.07 0.00 0.00 179.97 179.78 3g17 h ARG 262 N 0.80 0.65 -0.40 0.04 2.47 -0.44 -2.29 114.38 115.21 3g17 h ARG 262 Ca 0.12 -0.10 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 3g17 h ARG 262 Cb 0.73 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 3g17 h ARG 262 CO 0.06 0.56 0.27 0.00 0.56 0.00 0.00 179.97 181.41 3g17 h ALA 263 N 1.06 1.90 -0.06 0.04 0.00 -0.71 -2.35 119.26 119.14 3g17 h ALA 263 Ca 0.15 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3g17 h ALA 263 Cb 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3g17 h ALA 263 CO -0.02 0.04 -0.92 -0.09 0.00 0.00 0.00 179.25 178.26 3g17 h ARG 264 N 0.38 0.68 -0.06 0.00 9.65 -1.12 -0.55 114.38 123.36 3g17 h ARG 264 Ca 0.17 -0.65 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 3g17 h ARG 264 Cb 0.19 0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3g17 h ARG 264 CO -0.04 1.25 -0.16 1.49 2.80 0.00 0.00 179.97 185.32 3g17 h GLU 265 N 0.42 -0.22 -0.05 0.20 4.81 -0.92 -2.34 114.58 116.47 3g17 h GLU 265 Ca -0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3g17 h GLU 265 Cb 1.56 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.99 3g17 h GLU 265 CO 0.18 -0.15 0.00 0.72 -0.73 0.00 0.00 179.01 179.03 3g17 n HIS 266 N -5.29 0.07 -2.40 0.92 8.25 -0.95 -4.92 115.22 110.89 3g17 n HIS 266 Ca -0.04 -0.03 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 3g17 n HIS 266 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.40 -4.25 -4.79 0.41 5.15 -0.88 -5.00 115.26 105.51 3g17 n ASN 267 Ca 0.15 -0.06 -0.24 0.00 -0.60 0.00 0.00 54.58 53.83 3g17 n ASN 267 Cb 0.17 -3.34 0.08 0.00 -0.53 0.00 0.00 39.78 36.16 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g17 s LEU 268 N -4.02 2.99 -0.35 1.20 1.43 -0.26 -5.03 118.68 114.64 3g17 s LEU 268 Ca 0.06 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3g17 s LEU 268 Cb -0.02 -2.60 0.07 0.00 0.03 0.00 0.00 46.19 43.67 3g17 s LEU 268 CO 0.07 -1.65 0.09 -0.62 0.23 0.00 0.00 176.35 174.47 3g17 s ASP 269 N -4.60 5.07 -0.40 2.29 2.15 -1.26 -4.84 116.67 115.08 3g17 s ASP 269 Ca 0.63 -1.57 0.10 0.00 0.43 0.00 0.00 52.55 52.14 3g17 s ASP 269 Cb -0.08 -1.77 0.33 0.00 -0.30 0.00 0.00 42.92 41.10 3g17 s ASP 269 CO 0.43 -0.38 0.72 0.35 -0.17 0.00 0.00 175.17 176.12 3g17 n THR 270 N 4.62 0.17 -0.29 1.71 -2.24 -1.26 -4.97 114.28 112.02 3g17 n THR 270 Ca -0.08 -4.62 0.01 0.00 -2.27 0.00 0.00 64.05 57.09 3g17 n THR 270 Cb 0.43 -0.73 0.21 0.00 -2.10 0.00 0.00 70.33 68.13 3g17 n THR 270 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3g17 h PRO 271 N 3.20 1.08 -0.37 -0.78 0.11 -1.98 0.87 132.00 134.14 3g17 h PRO 271 Ca 0.10 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3g17 h PRO 271 Cb 0.89 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3g17 h PRO 271 CO 0.54 0.72 -0.05 1.88 -0.21 0.00 0.00 178.00 180.87 3g17 h TYR 272 N 1.11 0.76 -0.29 0.65 0.05 -1.93 -1.37 116.97 115.96 3g17 h TYR 272 Ca 0.34 -0.15 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 3g17 h TYR 272 Cb -0.03 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 3g17 h TYR 272 CO -0.00 0.82 -0.30 1.25 -1.05 0.00 0.00 178.16 178.88 3g17 h LEU 273 N 0.49 0.76 -0.20 3.88 5.85 -1.78 -2.38 115.31 121.93 3g17 h LEU 273 Ca 0.10 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.39 3g17 h LEU 273 Cb 0.55 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3g17 h LEU 273 CO 0.03 1.08 -0.09 0.44 -0.34 0.00 0.00 178.44 179.56 3g17 h ASP 274 N 0.45 -0.32 -0.51 1.25 5.19 -0.76 0.21 116.42 121.94 3g17 h ASP 274 Ca 0.04 0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 3g17 h ASP 274 Cb 0.87 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 3g17 h ASP 274 CO 0.07 -0.12 -0.14 0.00 -3.12 0.00 0.00 179.24 175.93 3g17 h THR 275 N -0.07 1.27 -0.08 0.35 1.03 -1.24 -0.99 112.91 113.17 3g17 h THR 275 Ca 0.11 -1.30 0.03 0.00 -0.01 0.00 0.00 66.41 65.24 3g17 h THR 275 Cb 0.23 1.05 -0.04 0.00 -1.07 0.00 0.00 68.15 68.32 3g17 h THR 275 CO -0.25 0.45 -0.13 0.40 -0.01 0.00 0.00 175.52 175.99 3g17 h ILE 276 N 0.86 0.66 -0.62 0.00 5.03 -1.17 -2.79 117.51 119.47 3g17 h ILE 276 Ca 0.13 0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.78 3g17 h ILE 276 Cb 0.71 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 35.14 3g17 h ILE 276 CO 0.05 0.00 0.05 0.22 -0.68 0.00 0.00 178.15 177.80 3g17 h TYR 277 N -0.18 1.15 -0.18 1.37 3.20 -0.31 -2.39 116.97 119.63 3g17 h TYR 277 Ca 0.07 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 3g17 h TYR 277 Cb 0.28 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3g17 h TYR 277 CO -0.22 0.99 -0.07 0.66 -1.64 0.00 0.00 178.16 177.88 3g17 h SER 278 N 0.97 0.25 0.27 -2.11 4.64 -1.08 0.47 113.55 116.97 3g17 h SER 278 Ca 0.18 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 3g17 h SER 278 Cb 0.50 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3g17 h SER 278 CO 0.02 0.36 -0.88 -0.26 -0.87 0.00 0.00 176.83 175.20 3g17 h PHE 279 N 0.27 0.64 -0.26 4.77 0.04 -1.23 -2.06 116.94 119.11 3g17 h PHE 279 Ca 0.06 -0.33 -0.19 0.00 2.80 0.00 0.00 57.97 60.31 3g17 h PHE 279 Cb 0.29 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3g17 h PHE 279 CO 0.01 1.13 -0.60 -0.07 -0.60 0.00 0.00 178.31 178.18 3g17 h LEU 280 N 0.27 0.97 -0.47 1.54 4.07 -0.88 -1.92 115.31 118.89 3g17 h LEU 280 Ca -0.07 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.34 3g17 h LEU 280 Cb 1.50 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.94 3g17 h LEU 280 CO 0.16 1.35 0.25 -0.09 -1.08 0.00 0.00 178.44 179.02 3g17 h ARG 281 N 0.64 0.66 -0.81 1.13 9.65 -0.13 -2.34 114.38 123.19 3g17 h ARG 281 Ca -0.00 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3g17 h ARG 281 Cb 1.21 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3g17 h ARG 281 CO 0.13 0.53 0.43 0.00 2.80 0.00 0.00 179.97 183.86 3g17 h ALA 282 N 1.10 1.04 -0.37 2.80 0.00 -1.16 -0.79 119.26 121.88 3g17 h ALA 282 Ca 0.17 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3g17 h ALA 282 Cb 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3g17 h ALA 282 CO -0.03 0.57 0.13 -0.92 0.00 0.00 0.00 179.25 179.00 3g17 h TYR 283 N 1.13 0.23 -0.65 0.00 3.20 -1.14 -1.96 116.97 117.78 3g17 h TYR 283 Ca 0.28 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.11 3g17 h TYR 283 Cb 0.06 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3g17 h TYR 283 CO 0.01 0.09 0.15 1.96 -1.64 0.00 0.00 178.16 178.73 3g17 h GLN 284 N 0.28 1.05 -0.28 1.82 1.08 -0.73 0.18 115.11 118.50 3g17 h GLN 284 Ca 0.17 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 3g17 h GLN 284 Cb 0.14 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3g17 h GLN 284 CO -0.17 0.95 -0.36 1.96 -0.95 0.00 0.00 178.83 180.25 3g17 h GLN 285 N 0.97 0.64 -0.04 1.46 1.08 -1.12 -0.64 115.11 117.46 3g17 h GLN 285 Ca 0.20 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3g17 h GLN 285 Cb 0.37 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3g17 h GLN 285 CO 0.00 0.91 -0.00 -0.97 -0.95 0.00 0.00 178.83 177.82 3g17 h ASN 286 N 0.54 0.08 -0.64 1.46 -1.24 -1.07 -0.90 115.58 113.81 3g17 h ASN 286 Ca 0.05 -0.31 0.10 0.00 0.71 0.00 0.00 56.30 56.84 3g17 h ASN 286 Cb 0.87 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.83 3g17 h ASN 286 CO 0.08 0.37 0.26 -0.08 -1.29 0.00 0.00 177.43 176.77 3g17 h GLU 287 N -0.22 0.44 -0.48 6.67 4.22 -0.85 -1.75 114.58 122.61 3g17 h GLU 287 Ca 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 3g17 h GLU 287 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3g17 h GLU 287 CO 0.00 0.29 -0.00 0.78 -2.18 0.00 0.00 179.01 177.90 3g17 h GLY 288 N 0.46 0.92 1.49 1.92 0.00 -1.02 -1.04 103.07 105.80 3g17 h GLY 288 Ca 0.32 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3g17 h GLY 288 CO -0.30 0.63 0.04 0.84 0.00 0.00 0.00 176.54 177.74 3g17 h HIS 289 N 0.71 0.66 -0.43 5.60 -0.00 -0.69 -3.06 115.15 117.94 3g17 h HIS 289 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3g17 h HIS 289 Cb 0.51 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3g17 h HIS 289 CO 0.04 0.61 0.00 0.72 -0.00 0.00 0.00 177.93 179.30 3g17 n HIS 290 N -4.27 0.98 0.00 5.26 8.25 -0.70 -5.11 115.22 119.63 3g17 n HIS 290 Ca 0.02 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 3g17 n HIS 290 Cb 0.25 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3g17 n HIS 290 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56