#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g17 s SER 4 N 0.00 7.42 -0.06 -1.43 0.15 -1.26 -4.97 113.70 113.56 3g17 s SER 4 Ca 0.00 1.69 0.03 0.00 0.70 0.00 0.00 55.95 58.37 3g17 s SER 4 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3g17 s SER 4 CO 0.00 0.14 -0.16 -0.69 1.20 0.00 0.00 173.24 173.73 3g17 s VAL 5 N -0.84 1.35 0.04 4.45 1.01 -1.26 -1.29 120.40 123.85 3g17 s VAL 5 Ca 0.38 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3g17 s VAL 5 Cb -0.23 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3g17 s VAL 5 CO 0.27 0.40 -0.19 0.00 0.00 0.00 0.00 175.10 175.58 3g17 s ALA 6 N 0.30 1.63 -0.17 5.51 0.00 -0.09 -1.62 121.76 127.32 3g17 s ALA 6 Ca -0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 3g17 s ALA 6 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3g17 s ALA 6 CO 0.03 0.36 -0.04 0.42 0.00 0.00 0.00 175.76 176.54 3g17 s ILE 7 N -0.76 3.81 -0.29 0.00 1.09 0.01 -0.65 121.20 124.41 3g17 s ILE 7 Ca 0.06 -0.38 -0.09 0.00 -1.10 0.00 0.00 60.65 59.15 3g17 s ILE 7 Cb -0.08 -2.68 -0.02 0.00 -1.06 0.00 0.00 42.46 38.62 3g17 s ILE 7 CO 0.01 0.48 0.12 -0.63 -0.10 0.00 0.00 174.94 174.82 3g17 s ILE 8 N 0.55 4.49 0.00 2.92 1.01 0.75 -0.69 121.20 130.24 3g17 s ILE 8 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3g17 s ILE 8 Cb -0.14 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3g17 s ILE 8 CO 0.03 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3g17 n GLY 9 N 4.96 1.55 2.40 6.18 0.00 -0.73 0.32 105.19 119.88 3g17 n GLY 9 Ca -0.15 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 3.30 -0.57 1.61 -0.04 -1.26 -3.72 135.00 134.31 3g17 n PRO 10 Ca 0.00 -2.57 -0.02 0.00 -0.04 0.00 0.00 63.50 60.87 3g17 n PRO 10 Cb 0.00 -2.37 0.01 0.00 -0.04 0.00 0.00 33.50 31.10 3g17 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g17 n GLY 11 N 1.67 0.11 0.20 0.55 0.00 -1.26 -4.69 105.19 101.76 3g17 n GLY 11 Ca 0.56 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.97 0.23 -0.00 4.61 0.00 -1.88 -1.53 119.26 119.72 3g17 h ALA 12 Ca -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g17 h ALA 12 Cb 0.10 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3g17 h ALA 12 CO 0.03 -0.48 -0.00 0.28 0.00 0.00 0.00 179.25 179.08 3g17 h VAL 13 N -0.04 1.34 -0.56 0.00 2.07 -1.89 -2.65 116.25 114.53 3g17 h VAL 13 Ca 0.20 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3g17 h VAL 13 Cb 0.35 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3g17 h VAL 13 CO -0.46 0.26 0.10 1.23 0.02 0.00 0.00 177.57 178.73 3g17 h GLY 14 N -0.41 0.98 0.99 2.17 0.00 -1.63 -1.81 103.07 103.36 3g17 h GLY 14 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3g17 h GLY 14 CO 0.00 0.60 0.02 -0.84 0.00 0.00 0.00 176.54 176.32 3g17 h THR 15 N 0.81 1.02 -0.58 4.70 2.02 -1.35 -0.69 112.91 118.84 3g17 h THR 15 Ca 0.17 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 67.42 3g17 h THR 15 Cb 0.39 0.99 -0.11 0.00 -1.74 0.00 0.00 68.15 67.69 3g17 h THR 15 CO 0.01 0.02 -0.09 0.74 0.37 0.00 0.00 175.52 176.56 3g17 h THR 16 N 0.03 0.45 -0.07 3.16 2.02 -1.29 0.30 112.91 117.51 3g17 h THR 16 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3g17 h THR 16 Cb 0.01 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3g17 h THR 16 CO -0.00 0.01 0.03 0.40 0.37 0.00 0.00 175.52 176.33 3g17 h ILE 17 N 0.04 1.12 0.24 3.11 2.04 -0.96 -2.23 117.51 120.87 3g17 h ILE 17 Ca 0.29 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3g17 h ILE 17 Cb 0.45 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3g17 h ILE 17 CO -0.56 0.10 -0.33 0.00 0.00 0.00 0.00 178.15 177.36 3g17 h ALA 18 N 0.90 -0.64 -0.56 1.87 0.00 -0.91 -0.75 119.26 119.17 3g17 h ALA 18 Ca 0.02 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3g17 h ALA 18 Cb 0.13 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 3g17 h ALA 18 CO -0.00 -0.90 -0.16 -0.92 0.00 0.00 0.00 179.25 177.27 3g17 h TYR 19 N -0.63 -0.34 -0.32 0.00 3.20 -0.87 0.11 116.97 118.11 3g17 h TYR 19 Ca 0.00 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 3g17 h TYR 19 Cb 0.60 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3g17 h TYR 19 CO -0.23 -0.26 -0.28 0.93 -1.64 0.00 0.00 178.16 176.68 3g17 h GLU 20 N -0.02 0.76 -0.65 1.82 4.39 -1.26 -2.79 114.58 116.84 3g17 h GLU 20 Ca 0.27 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3g17 h GLU 20 Cb 0.43 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3g17 h GLU 20 CO -0.59 1.01 0.43 -0.07 -1.16 0.00 0.00 179.01 178.63 3g17 h LEU 21 N 0.53 0.75 -1.65 1.33 3.38 -0.85 -2.91 115.31 115.89 3g17 h LEU 21 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3g17 h LEU 21 Cb 0.85 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3g17 h LEU 21 CO 0.07 0.55 -0.16 1.56 0.09 0.00 0.00 178.44 180.55 3g17 h GLN 22 N 0.89 0.00 -0.11 1.13 4.20 -0.52 0.35 115.11 121.05 3g17 h GLN 22 Ca 0.24 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 3g17 h GLN 22 Cb -0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3g17 h GLN 22 CO -0.05 0.16 -0.29 1.96 -0.67 0.00 0.00 178.83 179.94 3g17 h GLN 23 N 0.00 0.20 0.05 1.46 1.08 -1.31 -3.22 115.11 113.37 3g17 h GLN 23 Ca -0.00 -0.07 -0.36 0.00 -1.45 0.00 0.00 58.65 56.77 3g17 h GLN 23 Cb 0.47 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 3g17 h GLN 23 CO 0.02 0.48 -2.08 0.43 -0.95 0.00 0.00 178.83 176.73 3g17 n SER 24 N -4.13 2.01 -3.82 1.46 7.64 -0.90 -4.87 113.62 111.01 3g17 n SER 24 Ca -0.01 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.74 3g17 n SER 24 Cb 0.38 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.69 3g17 n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g17 s LEU 25 N -7.11 3.30 0.00 -3.43 1.43 0.12 -5.01 118.68 107.98 3g17 s LEU 25 Ca -0.29 -2.36 0.23 0.00 -1.03 0.00 0.00 54.13 50.67 3g17 s LEU 25 Cb 0.08 -1.23 1.17 0.00 0.03 0.00 0.00 46.19 46.25 3g17 s LEU 25 CO 0.65 -0.32 1.76 -2.65 0.23 0.00 0.00 176.35 176.02 3g17 n PRO 26 N 3.92 0.35 0.00 1.29 -0.02 -1.22 -1.95 135.00 137.37 3g17 n PRO 26 Ca 0.04 0.07 0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3g17 n PRO 26 Cb 0.37 -1.50 0.73 0.00 -0.02 0.00 0.00 33.50 33.09 3g17 n PRO 26 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g17 n HIS 27 N -1.27 0.00 -1.75 6.00 8.25 -1.26 -4.90 115.22 120.29 3g17 n HIS 27 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3g17 n HIS 27 Cb 0.18 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 3g17 n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3g17 s THR 28 N -2.23 2.60 -0.18 1.59 2.01 -0.82 -4.76 115.64 113.83 3g17 s THR 28 Ca 0.37 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.44 3g17 s THR 28 Cb 0.21 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3g17 s THR 28 CO 0.41 0.00 0.02 -0.89 -0.69 0.00 0.00 174.62 173.47 3g17 s THR 29 N 2.63 4.28 -0.13 -0.82 2.01 -0.64 -4.88 115.64 118.10 3g17 s THR 29 Ca 0.79 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 3g17 s THR 29 Cb -0.45 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3g17 s THR 29 CO 0.35 0.45 0.42 -0.22 -0.69 0.00 0.00 174.62 174.94 3g17 s LEU 30 N 0.62 4.26 -0.07 4.42 2.96 -1.26 -0.81 118.68 128.81 3g17 s LEU 30 Ca 0.01 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3g17 s LEU 30 Cb -0.14 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.96 3g17 s LEU 30 CO 0.02 0.03 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.30 3g17 s ILE 31 N 0.59 1.32 0.00 6.68 1.01 0.14 -0.08 121.20 130.86 3g17 s ILE 31 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3g17 s ILE 31 Cb -0.14 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.15 3g17 s ILE 31 CO 0.08 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3g17 n GLY 32 N 3.63 4.46 0.18 6.18 0.00 0.14 -1.77 105.19 118.01 3g17 n GLY 32 Ca -0.21 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 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 0.54 -5.85 1.61 3.08 -1.95 -2.04 114.38 109.76 3g17 h ARG 33 Ca 0.00 -0.07 -0.52 0.00 0.07 0.00 0.00 59.98 59.47 3g17 h ARG 33 Cb 0.00 -0.10 -0.23 0.00 0.08 0.00 0.00 29.97 29.72 3g17 h ARG 33 CO 0.00 0.45 -0.81 -1.01 -1.07 0.00 0.00 179.97 177.52 3g17 s HIS 34 N -5.83 1.59 0.21 3.04 3.76 -1.26 -3.69 115.29 113.11 3g17 s HIS 34 Ca -0.13 -0.41 -0.32 0.00 -0.15 0.00 0.00 55.06 54.05 3g17 s HIS 34 Cb 0.10 -0.90 -0.14 0.00 1.11 0.00 0.00 32.58 32.75 3g17 s HIS 34 CO 0.73 0.13 1.43 0.00 -0.85 0.00 0.00 174.74 176.19 3g17 n ALA 35 N 1.39 1.00 -3.82 -1.40 0.00 -1.26 -4.16 120.51 112.26 3g17 n ALA 35 Ca -0.19 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 3g17 n ALA 35 Cb 0.54 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.06 1.56 -0.17 0.00 -2.85 -0.91 -4.92 119.74 112.37 3g17 s LYS 36 Ca 0.72 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 54.80 3g17 s LYS 36 Cb -0.68 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 35.61 3g17 s LYS 36 CO 0.47 -0.71 -0.09 0.99 0.10 0.00 0.00 175.35 176.10 3g17 s THR 37 N -3.66 3.18 -0.12 3.79 2.01 -1.26 -0.49 115.64 119.09 3g17 s THR 37 Ca 0.12 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 3g17 s THR 37 Cb -0.04 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3g17 s THR 37 CO 0.05 0.48 0.18 -0.63 -0.69 0.00 0.00 174.62 174.02 3g17 s ILE 38 N 0.89 5.42 -0.07 1.82 1.01 0.09 -4.93 121.20 125.42 3g17 s ILE 38 Ca -0.02 0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 3g17 s ILE 38 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3g17 s ILE 38 CO 0.00 0.57 0.63 -0.89 0.00 0.00 0.00 174.94 175.26 3g17 s THR 39 N -0.70 5.06 -0.06 2.92 2.01 -0.18 0.65 115.64 125.34 3g17 s THR 39 Ca 0.15 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.48 3g17 s THR 39 Cb -0.13 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.42 3g17 s THR 39 CO 0.04 0.29 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.65 3g17 s TYR 40 N 0.62 1.57 -0.32 4.92 5.04 0.18 0.42 117.35 129.78 3g17 s TYR 40 Ca 0.34 -0.55 -0.05 0.00 -2.44 0.00 0.00 57.07 54.36 3g17 s TYR 40 Cb -0.17 -1.11 0.04 0.00 0.35 0.00 0.00 41.96 41.06 3g17 s TYR 40 CO 0.16 -0.26 0.07 0.71 -1.34 0.00 0.00 175.55 174.90 3g17 s TYR 41 N 0.49 3.23 0.59 4.97 1.51 -0.20 -1.18 117.35 126.76 3g17 s TYR 41 Ca -0.12 -1.45 0.29 0.00 -1.01 0.00 0.00 57.07 54.78 3g17 s TYR 41 Cb -0.15 -2.23 1.50 0.00 -0.11 0.00 0.00 41.96 40.97 3g17 s TYR 41 CO 0.04 -0.72 1.92 1.79 -1.11 0.00 0.00 175.55 177.47 3g17 h THR 42 N 6.18 0.37 -2.15 -0.71 1.35 -1.87 -1.29 112.91 114.80 3g17 h THR 42 Ca -0.24 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 3g17 h THR 42 Cb 1.09 0.65 -0.20 0.00 -1.73 0.00 0.00 68.15 67.95 3g17 h THR 42 CO 0.59 0.00 0.09 0.54 -0.25 0.00 0.00 175.52 176.49 3g17 s VAL 43 N -4.61 0.00 0.12 6.82 0.11 -1.25 -4.56 120.40 117.03 3g17 s VAL 43 Ca -0.04 -0.04 -0.35 0.00 -2.93 0.00 0.00 61.98 58.62 3g17 s VAL 43 Cb 0.15 -0.93 -0.15 0.00 -1.53 0.00 0.00 36.38 33.93 3g17 s VAL 43 CO 0.55 -0.02 1.53 -2.65 -3.33 0.00 0.00 175.10 171.17 3g17 n PRO 44 N 1.76 1.86 -1.31 1.54 -0.02 -1.24 -1.41 135.00 136.17 3g17 n PRO 44 Ca -0.17 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3g17 n PRO 44 Cb 0.56 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.34 -0.13 -0.63 6.00 8.25 -1.26 -5.01 115.22 125.78 3g17 n HIS 45 Ca 0.18 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 3g17 n HIS 45 Cb 0.26 -2.69 0.19 0.00 1.12 0.00 0.00 29.99 28.87 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 0.92 -2.12 -1.72 -1.41 0.00 -0.50 -4.93 120.51 110.75 3g17 n ALA 46 Ca -0.12 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.05 3g17 n ALA 46 Cb 0.52 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 3g17 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3g17 n PRO 47 N -3.84 2.56 -1.74 0.00 -0.02 -1.26 -4.92 135.00 125.79 3g17 n PRO 47 Ca 0.07 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 62.06 3g17 n PRO 47 Cb 0.54 -2.68 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3g17 n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g17 n ALA 48 N 2.43 1.76 -2.54 3.55 0.00 -1.26 -4.80 120.51 119.65 3g17 n ALA 48 Ca 0.11 0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.55 3g17 n ALA 48 Cb 0.35 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.32 3g17 n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g17 s GLN 49 N -2.42 1.18 -0.14 0.00 -0.21 -0.33 -4.97 119.66 112.79 3g17 s GLN 49 Ca 0.62 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.83 3g17 s GLN 49 Cb -0.46 -1.35 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 3g17 s GLN 49 CO 0.57 0.33 0.32 -0.51 -2.12 0.00 0.00 175.29 173.88 3g17 s ASP 50 N -1.55 6.51 -0.06 5.90 1.01 -1.26 0.48 116.67 127.70 3g17 s ASP 50 Ca 0.06 0.59 0.05 0.00 0.71 0.00 0.00 52.55 53.97 3g17 s ASP 50 Cb -0.09 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 3g17 s ASP 50 CO 0.03 0.12 -0.23 -0.51 0.21 0.00 0.00 175.17 174.79 3g17 s ILE 51 N 0.27 1.90 -0.04 0.77 2.07 0.21 -4.95 121.20 121.43 3g17 s ILE 51 Ca 0.18 -0.98 -0.30 0.00 -1.41 0.00 0.00 60.65 58.15 3g17 s ILE 51 Cb -0.14 -1.62 -0.03 0.00 0.13 0.00 0.00 42.46 40.81 3g17 s ILE 51 CO 0.06 0.53 1.09 -0.69 -1.91 0.00 0.00 174.94 174.02 3g17 s VAL 52 N -0.07 4.52 -0.20 4.00 1.01 -1.26 -0.73 120.40 127.66 3g17 s VAL 52 Ca -0.05 1.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.68 3g17 s VAL 52 Cb -0.14 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3g17 s VAL 52 CO 0.04 0.05 0.04 -0.69 0.00 0.00 0.00 175.10 174.54 3g17 s VAL 53 N 1.73 4.35 0.10 2.92 1.01 0.35 -4.36 120.40 126.49 3g17 s VAL 53 Ca 0.53 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 3g17 s VAL 53 Cb -0.23 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 3g17 s VAL 53 CO 0.23 0.42 0.57 -0.54 0.00 0.00 0.00 175.10 175.78 3g17 s LYS 54 N 0.89 4.15 0.55 2.72 -0.14 0.88 -2.15 119.74 126.64 3g17 s LYS 54 Ca 0.03 0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 55.16 3g17 s LYS 54 Cb -0.14 -3.15 -0.06 0.00 -1.68 0.00 0.00 37.83 32.81 3g17 s LYS 54 CO 0.02 0.59 1.03 0.20 -0.76 0.00 0.00 175.35 176.43 3g17 s GLY 55 N -1.28 2.15 0.36 -3.33 0.00 -1.26 -0.68 107.32 103.27 3g17 s GLY 55 Ca 0.32 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.46 3g17 s GLY 55 CO 0.19 0.64 1.89 -0.97 0.00 0.00 0.00 173.10 174.85 3g17 h TYR 56 N 0.74 0.80 0.00 1.90 0.05 -1.44 -1.66 116.97 117.37 3g17 h TYR 56 Ca -0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3g17 h TYR 56 Cb 1.21 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3g17 h TYR 56 CO 0.60 0.33 -0.26 0.39 -1.05 0.00 0.00 178.16 178.18 3g17 n GLU 57 N -4.53 0.25 0.23 4.88 1.02 -1.26 -3.13 120.64 118.10 3g17 n GLU 57 Ca 0.16 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.57 3g17 n GLU 57 Cb 0.41 -1.73 0.34 0.00 -0.02 0.00 0.00 31.44 30.43 3g17 n GLU 57 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3g17 h ASP 58 N 0.00 0.00 -3.24 1.62 3.32 -1.68 -3.44 116.42 113.00 3g17 h ASP 58 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3g17 h ASP 58 Cb 0.72 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.20 3g17 h ASP 58 CO 0.00 0.04 -0.17 -0.69 -1.72 0.00 0.00 179.24 176.69 3g17 s VAL 59 N -3.36 5.14 0.00 -1.35 1.01 -1.18 -4.95 120.40 115.70 3g17 s VAL 59 Ca 0.05 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3g17 s VAL 59 Cb 0.07 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3g17 s VAL 59 CO 0.63 0.41 0.00 0.35 0.00 0.00 0.00 175.10 176.49 3g17 n THR 60 N 3.09 0.00 -2.63 3.92 -2.24 -1.26 -5.01 114.28 110.15 3g17 n THR 60 Ca -0.10 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 3g17 n THR 60 Cb 0.52 0.64 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.72 5.70 0.47 3.42 4.22 -1.26 -5.07 114.94 121.70 3g17 s ASN 61 Ca 0.00 0.55 0.03 0.00 -2.14 0.00 0.00 52.86 51.30 3g17 s ASN 61 Cb 0.00 -1.65 0.02 0.00 1.28 0.00 0.00 41.25 40.90 3g17 s ASN 61 CO 0.00 -0.91 0.67 0.42 -2.04 0.00 0.00 177.10 175.23 3g17 s THR 62 N -2.82 3.19 0.14 0.54 -4.23 -1.26 -4.73 115.64 106.47 3g17 s THR 62 Ca 0.52 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 60.35 3g17 s THR 62 Cb -0.10 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 3g17 s THR 62 CO 0.42 -0.08 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.87 3g17 s PHE 63 N -2.55 1.75 0.08 3.99 0.08 0.02 -4.98 117.98 116.38 3g17 s PHE 63 Ca 0.53 -0.47 0.07 0.00 0.12 0.00 0.00 56.93 57.19 3g17 s PHE 63 Cb -0.10 -0.90 -0.22 0.00 -0.57 0.00 0.00 43.02 41.23 3g17 s PHE 63 CO 0.36 0.27 1.13 -0.44 -0.10 0.00 0.00 175.22 176.44 3g17 h ASP 64 N 3.49 0.03 -3.85 1.36 3.32 -1.84 -3.36 116.42 115.57 3g17 h ASP 64 Ca -0.43 -0.04 -0.42 0.00 0.02 0.00 0.00 57.03 56.16 3g17 h ASP 64 Cb 1.20 -0.01 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 3g17 h ASP 64 CO 0.48 1.03 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.56 3g17 s VAL 65 N -2.68 0.78 -0.11 -1.35 1.01 -0.41 -1.09 120.40 116.55 3g17 s VAL 65 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3g17 s VAL 65 Cb 0.09 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.81 3g17 s VAL 65 CO 0.82 0.24 -0.05 -0.63 0.00 0.00 0.00 175.10 175.48 3g17 s ILE 66 N 0.14 0.86 -0.35 2.22 1.01 -0.31 -0.91 121.20 123.84 3g17 s ILE 66 Ca -0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3g17 s ILE 66 Cb -0.08 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 3g17 s ILE 66 CO 0.00 0.32 0.24 -0.63 0.00 0.00 0.00 174.94 174.87 3g17 s ILE 67 N 1.77 5.12 -0.25 2.92 1.01 0.18 0.04 121.20 131.99 3g17 s ILE 67 Ca 0.05 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 3g17 s ILE 67 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3g17 s ILE 67 CO -0.07 -0.08 0.42 -0.63 0.00 0.00 0.00 174.94 174.57 3g17 s ILE 68 N 1.68 5.15 -0.42 2.92 1.01 0.32 -0.18 121.20 131.68 3g17 s ILE 68 Ca 0.05 0.69 0.10 0.00 0.00 0.00 0.00 60.65 61.49 3g17 s ILE 68 Cb -0.18 -3.74 0.40 0.00 0.01 0.00 0.00 42.46 38.95 3g17 s ILE 68 CO 0.09 0.16 0.96 0.00 0.00 0.00 0.00 174.94 176.15 3g17 n ALA 69 N 5.20 3.95 -2.20 9.38 0.00 0.15 -0.73 120.51 136.26 3g17 n ALA 69 Ca -0.07 -3.91 -0.21 0.00 0.00 0.00 0.00 53.44 49.25 3g17 n ALA 69 Cb 0.50 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -4.05 2.50 0.44 0.00 -7.23 -1.25 -4.48 120.40 106.32 3g17 s VAL 70 Ca 0.41 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 59.03 3g17 s VAL 70 Cb 0.38 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.45 3g17 s VAL 70 CO -0.10 0.00 1.35 -0.54 -0.31 0.00 0.00 175.10 175.51 3g17 s LYS 71 N -4.23 3.77 0.30 4.82 3.01 -1.26 -4.85 119.74 121.29 3g17 s LYS 71 Ca 0.48 2.25 0.02 0.00 -1.01 0.00 0.00 55.97 57.72 3g17 s LYS 71 Cb -0.04 -2.65 0.74 0.00 -1.01 0.00 0.00 37.83 34.87 3g17 s LYS 71 CO 0.29 -0.69 1.61 1.79 0.51 0.00 0.00 175.35 178.85 3g17 h THR 72 N 2.28 0.16 0.00 2.17 1.35 -1.95 0.71 112.91 117.63 3g17 h THR 72 Ca -0.50 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3g17 h THR 72 Cb 1.26 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3g17 h THR 72 CO 0.61 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 3g17 n HIS 73 N -5.36 0.00 1.06 4.73 1.44 -1.26 -2.86 115.22 112.97 3g17 n HIS 73 Ca 0.22 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.05 3g17 n HIS 73 Cb 0.74 -0.25 0.11 0.00 0.12 0.00 0.00 29.99 30.70 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 -1.25 1.63 -0.18 -1.40 6.02 0.25 -4.63 117.38 117.82 3g17 n GLN 74 Ca 0.11 -1.30 -0.09 0.00 -0.01 0.00 0.00 57.00 55.70 3g17 n GLN 74 Cb 0.16 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 29.98 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 3.18 1.00 -1.02 1.08 5.85 -1.41 -3.18 115.31 120.81 3g17 h LEU 75 Ca 0.00 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3g17 h LEU 75 Cb 0.81 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3g17 h LEU 75 CO 0.00 1.10 -0.01 0.44 -0.34 0.00 0.00 178.44 179.64 3g17 h ASP 76 N 0.90 0.66 1.02 1.25 3.32 -1.83 -2.04 116.42 119.69 3g17 h ASP 76 Ca 0.14 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3g17 h ASP 76 Cb 0.65 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3g17 h ASP 76 CO 0.05 0.74 -0.09 0.00 -1.72 0.00 0.00 179.24 178.21 3g17 h ALA 77 N 1.34 1.01 -0.26 3.45 0.00 -1.89 -2.79 119.26 120.13 3g17 h ALA 77 Ca 0.13 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3g17 h ALA 77 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3g17 h ALA 77 CO 0.02 0.12 -0.48 0.28 0.00 0.00 0.00 179.25 179.19 3g17 h VAL 78 N 0.00 1.30 -0.55 0.00 2.07 -1.41 -3.38 116.25 114.28 3g17 h VAL 78 Ca -0.00 -1.68 0.11 0.00 0.82 0.00 0.00 66.70 65.95 3g17 h VAL 78 Cb 0.63 1.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.90 3g17 h VAL 78 CO 0.01 0.54 -0.22 0.40 0.02 0.00 0.00 177.57 178.31 3g17 h ILE 79 N 0.55 0.31 -0.02 4.57 1.08 -1.41 -0.01 117.51 122.58 3g17 h ILE 79 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3g17 h ILE 79 Cb 1.03 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3g17 h ILE 79 CO 0.10 0.00 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.90 3g17 h PRO 80 N -0.09 0.02 -0.19 2.37 0.11 -1.76 0.16 132.00 132.62 3g17 h PRO 80 Ca 0.25 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3g17 h PRO 80 Cb 0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3g17 h PRO 80 CO -0.61 0.03 -0.15 0.45 -0.21 0.00 0.00 178.00 177.52 3g17 h HIS 81 N 0.02 0.32 -0.21 0.65 3.86 -1.23 -2.89 115.15 115.67 3g17 h HIS 81 Ca 0.01 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 3g17 h HIS 81 Cb 0.03 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3g17 h HIS 81 CO 0.00 0.45 -0.14 -0.07 0.86 0.00 0.00 177.93 179.03 3g17 h LEU 82 N 0.29 0.34 -1.44 2.43 3.38 -0.36 -0.62 115.31 119.33 3g17 h LEU 82 Ca 0.06 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.08 3g17 h LEU 82 Cb 0.44 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3g17 h LEU 82 CO 0.03 0.51 0.53 0.74 0.09 0.00 0.00 178.44 180.33 3g17 h THR 83 N 0.33 0.84 0.03 0.22 2.02 -1.40 -1.18 112.91 113.77 3g17 h THR 83 Ca 0.06 -0.19 -0.33 0.00 0.77 0.00 0.00 66.41 66.71 3g17 h THR 83 Cb 0.45 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3g17 h THR 83 CO 0.03 0.10 -2.00 -1.22 0.37 0.00 0.00 175.52 172.80 3g17 n TYR 84 N -4.51 0.75 0.10 3.16 4.01 -0.71 -4.46 117.16 115.48 3g17 n TYR 84 Ca 0.15 0.23 0.03 0.00 -0.16 0.00 0.00 57.90 58.15 3g17 n TYR 84 Cb 0.47 -1.12 -0.01 0.00 -0.31 0.00 0.00 39.34 38.36 3g17 n TYR 84 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3g17 h LEU 85 N 0.02 0.00 -9.59 7.72 3.38 -0.95 -3.43 115.31 112.46 3g17 h LEU 85 Ca -0.40 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.92 3g17 h LEU 85 Cb 2.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.71 3g17 h LEU 85 CO 0.05 0.44 -0.60 0.00 0.09 0.00 0.00 178.44 178.42 3g17 s ALA 86 N -3.01 3.54 0.54 1.53 0.00 -0.46 -0.80 121.76 123.11 3g17 s ALA 86 Ca 0.01 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3g17 s ALA 86 Cb 0.08 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.79 3g17 s ALA 86 CO 0.77 0.72 0.58 -3.38 0.00 0.00 0.00 175.76 174.45 3g17 s HIS 87 N -1.30 1.64 0.38 0.00 -3.43 -1.26 -4.81 115.29 106.51 3g17 s HIS 87 Ca 0.26 -0.75 0.11 0.00 -0.80 0.00 0.00 55.06 53.88 3g17 s HIS 87 Cb -0.12 -2.07 0.89 0.00 -1.43 0.00 0.00 32.58 29.84 3g17 s HIS 87 CO 0.18 -0.74 1.88 1.49 -2.00 0.00 0.00 174.74 175.55 3g17 h GLU 88 N 0.52 0.59 -0.02 -0.38 4.81 -1.98 -1.50 114.58 116.61 3g17 h GLU 88 Ca -0.34 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3g17 h GLU 88 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3g17 h GLU 88 CO 0.50 0.39 -0.16 -0.25 -0.73 0.00 0.00 179.01 178.76 3g17 n ASP 89 N -4.54 2.66 -4.59 1.04 8.00 -1.26 -4.30 116.55 113.57 3g17 n ASP 89 Ca 0.17 -1.83 -0.48 0.00 0.71 0.00 0.00 54.79 53.35 3g17 n ASP 89 Cb 0.49 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.87 0.89 -2.69 -3.53 -1.04 -0.57 -4.81 114.28 103.40 3g17 n THR 90 Ca 0.12 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 3g17 n THR 90 Cb 0.55 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 0.60 3.91 -0.25 -4.42 2.96 -0.25 -4.26 118.68 116.98 3g17 s LEU 91 Ca 0.73 0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 55.35 3g17 s LEU 91 Cb -0.83 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 42.37 3g17 s LEU 91 CO 0.52 -0.92 0.13 -0.63 -1.32 0.00 0.00 176.35 174.12 3g17 s ILE 92 N 3.70 4.89 -0.21 6.68 1.01 0.46 -1.17 121.20 136.57 3g17 s ILE 92 Ca 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 3g17 s ILE 92 Cb -0.11 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3g17 s ILE 92 CO 0.19 0.32 -0.03 -0.63 0.00 0.00 0.00 174.94 174.79 3g17 s ILE 93 N 1.44 3.61 -0.90 2.92 1.01 0.11 -1.56 121.20 127.82 3g17 s ILE 93 Ca 0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 3g17 s ILE 93 Cb -0.15 -2.63 0.14 0.00 0.01 0.00 0.00 42.46 39.83 3g17 s ILE 93 CO 0.06 0.43 1.06 -0.76 0.00 0.00 0.00 174.94 175.73 3g17 s LEU 94 N 1.20 5.34 -1.22 2.97 1.43 0.16 -0.52 118.68 128.04 3g17 s LEU 94 Ca 0.03 -2.13 -0.19 0.00 -1.03 0.00 0.00 54.13 50.81 3g17 s LEU 94 Cb -0.14 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 43.78 3g17 s LEU 94 CO -0.00 -0.99 1.64 0.00 0.23 0.00 0.00 176.35 177.24 3g17 s ALA 95 N 2.27 3.21 0.05 4.21 0.00 0.09 -0.29 121.76 131.29 3g17 s ALA 95 Ca 0.30 -2.78 -0.17 0.00 0.00 0.00 0.00 51.96 49.31 3g17 s ALA 95 Cb -0.06 -4.58 0.03 0.00 0.00 0.00 0.00 23.12 18.51 3g17 s ALA 95 CO -0.09 -3.35 0.39 -1.14 0.00 0.00 0.00 175.76 171.57 3g17 s GLN 96 N 4.25 0.91 0.84 0.00 0.74 -1.18 -4.38 119.66 120.84 3g17 s GLN 96 Ca 0.51 -0.42 -0.12 0.00 0.05 0.00 0.00 55.36 55.38 3g17 s GLN 96 Cb 0.03 0.40 0.09 0.00 1.10 0.00 0.00 33.01 34.63 3g17 s GLN 96 CO 0.03 -0.31 1.14 -0.80 -0.55 0.00 0.00 175.29 174.80 3g17 s ASN 97 N -2.08 4.22 0.08 6.67 0.01 -1.26 -4.72 114.94 117.85 3g17 s ASN 97 Ca -0.05 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 3g17 s ASN 97 Cb -0.01 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.11 3g17 s ASN 97 CO -0.03 -2.10 0.00 0.61 -1.51 0.00 0.00 177.10 174.07 3g17 n GLY 98 N -2.71 -1.45 2.93 0.66 0.00 -1.26 -4.74 105.19 98.62 3g17 n GLY 98 Ca 0.07 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 3.12 0.23 1.61 6.04 -1.25 -4.95 117.35 122.14 3g17 s TYR 99 Ca 0.00 -2.89 -0.31 0.00 0.04 0.00 0.00 57.07 53.90 3g17 s TYR 99 Cb 0.00 -2.65 -0.11 0.00 -1.04 0.00 0.00 41.96 38.16 3g17 s TYR 99 CO 0.00 -0.84 1.66 0.20 -1.54 0.00 0.00 175.55 175.03 3g17 s GLY 100 N 0.41 1.54 -1.26 8.97 0.00 -1.26 -4.91 107.32 110.80 3g17 s GLY 100 Ca 0.14 1.55 -0.15 0.00 0.00 0.00 0.00 44.72 46.26 3g17 s GLY 100 CO -0.05 2.74 1.60 -1.06 0.00 0.00 0.00 173.10 176.33 3g17 n GLN 101 N 3.44 3.29 0.33 2.90 1.13 -1.26 -4.84 117.38 122.37 3g17 n GLN 101 Ca 0.13 -3.57 0.18 0.00 -1.94 0.00 0.00 57.00 51.81 3g17 n GLN 101 Cb 0.36 -3.23 0.97 0.00 0.11 0.00 0.00 30.24 28.45 3g17 n GLN 101 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g17 h LEU 102 N 10.84 0.00 -1.83 1.08 4.07 -1.97 0.26 115.31 127.75 3g17 h LEU 102 Ca 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.32 3g17 h LEU 102 Cb 0.86 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.59 3g17 h LEU 102 CO 1.37 0.00 -0.11 -0.33 -1.08 0.00 0.00 178.44 178.29 3g17 h GLU 103 N 0.00 0.00 0.00 1.13 3.07 -1.97 -2.50 114.58 114.31 3g17 h GLU 103 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3g17 h GLU 103 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3g17 h GLU 103 CO -0.00 0.11 0.00 1.58 -1.40 0.00 0.00 179.01 179.30 3g17 n HIS 104 N -3.46 0.77 -3.52 4.33 -0.00 0.92 -4.46 115.22 109.80 3g17 n HIS 104 Ca -0.01 0.35 -0.41 0.00 -0.00 0.00 0.00 57.72 57.65 3g17 n HIS 104 Cb 0.26 -1.07 -0.10 0.00 -0.00 0.00 0.00 29.99 29.08 3g17 n HIS 104 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3g17 s ILE 105 N -3.44 5.22 -0.06 3.57 1.01 -0.95 -5.00 121.20 121.56 3g17 s ILE 105 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3g17 s ILE 105 Cb 0.08 -3.74 -0.16 0.00 0.01 0.00 0.00 42.46 38.64 3g17 s ILE 105 CO 0.29 -0.09 2.43 -0.81 0.00 0.00 0.00 174.94 176.77 3g17 n PRO 106 N 5.11 1.31 -3.98 2.79 -0.04 -1.26 -4.78 135.00 134.14 3g17 n PRO 106 Ca -0.12 -0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 62.57 3g17 n PRO 106 Cb 0.49 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.85 0.28 0.02 0.54 0.08 -1.26 -5.07 117.98 114.42 3g17 s PHE 107 Ca 0.42 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 3g17 s PHE 107 Cb 0.19 -0.21 -0.16 0.00 -0.57 0.00 0.00 43.02 42.27 3g17 s PHE 107 CO -0.00 -0.26 1.29 -0.22 -0.10 0.00 0.00 175.22 175.93 3g17 h LYS 108 N 4.18 0.30 -3.77 0.44 3.64 -1.87 -3.40 116.57 116.10 3g17 h LYS 108 Ca -0.32 -0.18 -0.79 0.00 -1.27 0.00 0.00 60.65 58.09 3g17 h LYS 108 Cb 1.19 0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.76 3g17 h LYS 108 CO 0.47 0.75 0.13 -0.80 -2.27 0.00 0.00 179.45 177.73 3g17 s ASN 109 N -6.13 6.77 -0.03 4.20 0.01 -1.26 -5.01 114.94 113.49 3g17 s ASN 109 Ca -0.14 -2.86 0.03 0.00 -0.71 0.00 0.00 52.86 49.17 3g17 s ASN 109 Cb 0.04 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.52 3g17 s ASN 109 CO 0.75 -0.51 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.02 3g17 s VAL 110 N -0.10 0.98 0.01 1.60 1.01 -1.26 -0.40 120.40 122.24 3g17 s VAL 110 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3g17 s VAL 110 Cb -0.10 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3g17 s VAL 110 CO -0.09 0.30 0.25 0.00 0.00 0.00 0.00 175.10 175.56 3g17 s GLN 112 N -1.72 4.37 -0.11 0.00 0.74 -1.26 -0.66 119.66 121.02 3g17 s GLN 112 Ca -0.11 0.88 -0.05 0.00 0.05 0.00 0.00 55.36 56.13 3g17 s GLN 112 Cb -0.05 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 3g17 s GLN 112 CO 0.01 0.45 0.08 0.00 -0.55 0.00 0.00 175.29 175.28 3g17 s ALA 113 N -0.56 3.60 -0.11 1.58 0.00 0.60 -4.46 121.76 122.41 3g17 s ALA 113 Ca 0.33 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 3g17 s ALA 113 Cb -0.20 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3g17 s ALA 113 CO 0.21 0.56 0.40 0.08 0.00 0.00 0.00 175.76 177.01 3g17 s VAL 114 N -0.82 5.20 -0.13 0.00 1.01 0.33 -3.10 120.40 122.88 3g17 s VAL 114 Ca 0.13 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 3g17 s VAL 114 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3g17 s VAL 114 CO 0.03 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 3g17 s VAL 115 N 0.25 3.39 -0.59 2.92 1.01 -1.26 -0.98 120.40 125.14 3g17 s VAL 115 Ca 0.22 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3g17 s VAL 115 Cb -0.15 -2.44 0.19 0.00 0.00 0.00 0.00 36.38 33.98 3g17 s VAL 115 CO 0.09 0.52 0.50 -1.22 0.00 0.00 0.00 175.10 174.99 3g17 n TYR 116 N 3.38 1.94 -3.65 5.22 4.01 -0.69 -5.04 117.16 122.33 3g17 n TYR 116 Ca -0.18 -3.97 -0.16 0.00 -0.16 0.00 0.00 57.90 53.44 3g17 n TYR 116 Cb 0.53 -0.36 -0.15 0.00 -0.31 0.00 0.00 39.34 39.05 3g17 n TYR 116 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g17 s ILE 117 N -1.22 -0.31 -0.12 -0.72 1.01 -1.26 -2.63 121.20 115.95 3g17 s ILE 117 Ca 0.30 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 3g17 s ILE 117 Cb 0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3g17 s ILE 117 CO -0.15 0.10 -0.08 -0.44 0.00 0.00 0.00 174.94 174.38 3g17 s SER 118 N 2.34 4.48 0.06 3.58 0.01 -0.42 -4.86 113.70 118.87 3g17 s SER 118 Ca 0.03 -0.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 3g17 s SER 118 Cb -0.12 -1.50 0.09 0.00 0.21 0.00 0.00 66.02 64.69 3g17 s SER 118 CO -0.07 0.23 1.17 0.61 0.41 0.00 0.00 173.24 175.59 3g17 n GLY 119 N 3.09 0.36 3.12 3.44 0.00 -1.26 0.40 105.19 114.33 3g17 n GLY 119 Ca -0.18 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.03 0.64 -0.09 1.61 -2.07 -0.37 -4.90 119.66 112.45 3g17 s GLN 120 Ca 0.27 -1.01 0.04 0.00 -1.82 0.00 0.00 55.36 52.85 3g17 s GLN 120 Cb -0.02 0.24 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 3g17 s GLN 120 CO 0.02 -0.15 -0.24 0.21 -1.32 0.00 0.00 175.29 173.81 3g17 s LYS 121 N -3.43 2.93 -0.10 9.60 2.20 -1.26 -1.12 119.74 128.56 3g17 s LYS 121 Ca 0.02 -0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3g17 s LYS 121 Cb 0.04 -2.28 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 3g17 s LYS 121 CO -0.08 0.24 -0.07 0.21 -0.36 0.00 0.00 175.35 175.28 3g17 s LYS 122 N 0.20 1.39 4.88 4.03 2.20 0.15 -4.96 119.74 127.63 3g17 s LYS 122 Ca -0.14 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 3g17 s LYS 122 Cb -0.17 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 3g17 s LYS 122 CO 0.07 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3g17 n GLY 123 N 4.75 3.37 1.91 5.54 0.00 -1.26 -0.46 105.19 119.03 3g17 n GLY 123 Ca -0.14 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3g17 n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g17 n ASP 124 N 4.94 4.72 -4.13 1.61 8.00 -1.26 -4.95 116.55 125.47 3g17 n ASP 124 Ca 0.00 -3.74 -0.31 0.00 0.71 0.00 0.00 54.79 51.44 3g17 n ASP 124 Cb 0.00 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 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 -3.95 1.90 -0.16 2.53 1.01 0.39 -1.01 120.40 121.11 3g17 s VAL 125 Ca 0.55 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3g17 s VAL 125 Cb 0.46 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3g17 s VAL 125 CO 0.03 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 174.92 3g17 s VAL 126 N 0.94 3.91 -0.22 2.92 1.01 0.17 -0.68 120.40 128.45 3g17 s VAL 126 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3g17 s VAL 126 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3g17 s VAL 126 CO -0.03 0.49 -0.07 -0.89 0.00 0.00 0.00 175.10 174.60 3g17 s THR 127 N 0.38 3.06 0.05 3.92 2.01 -0.28 -1.03 115.64 123.76 3g17 s THR 127 Ca -0.04 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 3g17 s THR 127 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3g17 s THR 127 CO 0.03 0.40 0.91 -2.28 -0.69 0.00 0.00 174.62 172.99 3g17 s HIS 128 N 1.42 3.74 -0.17 4.92 2.46 -0.49 -1.23 115.29 125.94 3g17 s HIS 128 Ca 0.05 1.67 -0.14 0.00 0.47 0.00 0.00 55.06 57.11 3g17 s HIS 128 Cb -0.14 -3.01 -0.06 0.00 -0.13 0.00 0.00 32.58 29.23 3g17 s HIS 128 CO -0.05 0.15 -0.23 1.19 -2.47 0.00 0.00 174.74 173.33 3g17 n PHE 129 N 3.19 0.49 -3.52 3.88 3.72 0.16 -3.67 117.46 121.72 3g17 n PHE 129 Ca 0.02 0.21 -0.17 0.00 -0.05 0.00 0.00 57.45 57.47 3g17 n PHE 129 Cb 0.50 -0.71 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 3g17 n PHE 129 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3g17 s ARG 130 N -2.54 1.03 0.00 -1.08 3.52 -1.08 -4.87 118.95 113.93 3g17 s ARG 130 Ca -0.23 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3g17 s ARG 130 Cb 0.04 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 3g17 s ARG 130 CO 0.35 -0.33 0.00 -0.25 -0.81 0.00 0.00 175.30 174.26 3g17 n ASP 131 N 0.82 0.00 -0.92 -2.12 8.00 -1.26 -1.30 116.55 119.76 3g17 n ASP 131 Ca -0.18 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.33 3g17 n ASP 131 Cb 0.58 0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 42.29 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 -0.86 0.00 -3.75 1.24 4.01 -1.19 -4.42 117.16 112.20 3g17 n TYR 132 Ca 0.00 -0.24 -0.36 0.00 -0.16 0.00 0.00 57.90 57.14 3g17 n TYR 132 Cb 0.00 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 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 3.95 -0.14 -0.72 0.74 -1.08 -0.74 119.66 121.68 3g17 s GLN 133 Ca 0.12 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.42 3g17 s GLN 133 Cb 0.14 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.92 3g17 s GLN 133 CO -0.06 0.46 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.42 3g17 s LEU 134 N -0.11 2.02 -0.28 3.68 1.43 0.08 -1.70 118.68 123.81 3g17 s LEU 134 Ca 0.12 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 3g17 s LEU 134 Cb -0.12 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3g17 s LEU 134 CO 0.01 0.06 0.14 -0.13 0.23 0.00 0.00 176.35 176.66 3g17 s ARG 135 N 0.91 3.72 0.13 1.70 0.52 -0.15 -0.90 118.95 124.87 3g17 s ARG 135 Ca -0.06 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 3g17 s ARG 135 Cb -0.15 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 3g17 s ARG 135 CO -0.03 -0.24 -0.14 0.42 0.02 0.00 0.00 175.30 175.34 3g17 s ILE 136 N 1.68 1.34 0.24 1.52 1.01 -0.34 -0.51 121.20 126.14 3g17 s ILE 136 Ca 0.06 -1.80 -0.31 0.00 0.00 0.00 0.00 60.65 58.61 3g17 s ILE 136 Cb -0.16 -1.61 -0.11 0.00 0.01 0.00 0.00 42.46 40.60 3g17 s ILE 136 CO 0.07 -0.47 1.56 -1.58 0.00 0.00 0.00 174.94 174.52 3g17 s GLN 137 N -2.88 4.19 -0.10 2.79 2.00 -1.26 0.19 119.66 124.58 3g17 s GLN 137 Ca 0.11 2.45 -0.29 0.00 -2.00 0.00 0.00 55.36 55.63 3g17 s GLN 137 Cb -0.04 -3.08 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 3g17 s GLN 137 CO 0.03 -0.58 1.51 0.34 -0.50 0.00 0.00 175.29 176.10 3g17 s ASP 138 N 0.67 6.75 0.30 6.67 -1.08 0.93 -4.66 116.67 126.25 3g17 s ASP 138 Ca 0.65 2.01 -0.19 0.00 -0.52 0.00 0.00 52.55 54.50 3g17 s ASP 138 Cb -0.45 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.52 3g17 s ASP 138 CO 0.41 -0.88 0.82 0.54 0.52 0.00 0.00 175.17 176.58 3g17 s ASN 139 N 2.90 -0.10 0.17 -0.34 2.20 -1.26 -4.94 114.94 113.57 3g17 s ASN 139 Ca 0.67 -0.84 -0.15 0.00 -0.94 0.00 0.00 52.86 51.60 3g17 s ASN 139 Cb -0.29 0.73 0.11 0.00 -2.00 0.00 0.00 41.25 39.81 3g17 s ASN 139 CO 0.24 -1.41 1.74 0.00 -2.94 0.00 0.00 177.10 174.73 3g17 h ALA 140 N 2.00 0.49 -0.23 3.54 0.00 -2.01 -2.13 119.26 120.92 3g17 h ALA 140 Ca -0.27 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3g17 h ALA 140 Cb 1.24 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3g17 h ALA 140 CO 0.33 -0.27 -0.49 -0.07 0.00 0.00 0.00 179.25 178.75 3g17 h LEU 141 N 0.28 0.68 -0.99 0.00 3.38 -1.97 -3.00 115.31 113.70 3g17 h LEU 141 Ca 0.20 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3g17 h LEU 141 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3g17 h LEU 141 CO -0.22 1.06 -0.24 0.00 0.09 0.00 0.00 178.44 179.13 3g17 h THR 142 N 0.49 0.55 -0.17 0.22 1.03 -1.79 -2.25 112.91 110.99 3g17 h THR 142 Ca 0.02 -1.20 -0.15 0.00 -0.01 0.00 0.00 66.41 65.07 3g17 h THR 142 Cb 1.04 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 3g17 h THR 142 CO 0.10 0.23 -0.48 0.03 -0.01 0.00 0.00 175.52 175.39 3g17 h ARG 143 N 0.00 0.63 -0.49 0.00 3.08 -1.28 -1.82 114.38 114.50 3g17 h ARG 143 Ca -0.00 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 59.61 3g17 h ARG 143 Cb 0.81 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3g17 h ARG 143 CO 0.03 1.06 0.33 0.37 -1.07 0.00 0.00 179.97 180.69 3g17 h GLN 144 N 0.30 0.65 -0.36 0.04 4.15 -1.39 -0.91 115.11 117.58 3g17 h GLN 144 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3g17 h GLN 144 Cb 1.10 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 3g17 h GLN 144 CO 0.10 0.43 0.17 0.35 -1.93 0.00 0.00 178.83 177.95 3g17 h PHE 145 N 0.67 0.52 -1.00 3.99 3.57 -1.42 0.25 116.94 123.52 3g17 h PHE 145 Ca 0.18 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.78 3g17 h PHE 145 Cb -0.08 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.41 3g17 h PHE 145 CO -0.04 0.45 0.62 -0.09 -2.23 0.00 0.00 178.31 177.03 3g17 h ARG 146 N 0.45 0.93 -0.18 1.11 1.12 -1.07 -1.94 114.38 114.79 3g17 h ARG 146 Ca 0.12 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.81 3g17 h ARG 146 Cb 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 3g17 h ARG 146 CO -0.01 0.61 -0.39 -0.44 -3.11 0.00 0.00 179.97 176.63 3g17 h ASP 147 N 0.96 0.66 -0.90 -3.80 3.45 -0.59 -2.73 116.42 113.46 3g17 h ASP 147 Ca 0.51 -0.56 0.05 0.00 0.43 0.00 0.00 57.03 57.46 3g17 h ASP 147 Cb 0.55 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 39.08 3g17 h ASP 147 CO -0.28 1.09 0.59 0.25 -1.57 0.00 0.00 179.24 179.32 3g17 h LEU 148 N 0.25 0.94 -1.92 1.55 5.85 -0.70 -2.95 115.31 118.33 3g17 h LEU 148 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3g17 h LEU 148 Cb 0.99 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3g17 h LEU 148 CO 0.09 0.63 0.00 0.52 -0.34 0.00 0.00 178.44 179.33 3g17 n VAL 149 N -4.46 0.50 0.25 1.05 0.31 -0.75 -4.59 118.33 110.64 3g17 n VAL 149 Ca 0.13 -0.64 0.11 0.00 -0.01 0.00 0.00 64.34 63.93 3g17 n VAL 149 Cb 0.15 0.63 0.67 0.00 -0.91 0.00 0.00 33.84 34.38 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 3.51 0.00 0.00 5.55 3.07 -1.30 -2.03 115.11 123.91 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 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 3g17 h GLN 150 CO 0.00 0.14 0.00 -0.25 0.09 0.00 0.00 178.83 178.81 3g17 n ASP 151 N -3.77 0.00 -4.98 0.06 8.00 -1.26 -4.89 116.55 109.70 3g17 n ASP 151 Ca -0.02 -0.32 -0.20 0.00 0.71 0.00 0.00 54.79 54.96 3g17 n ASP 151 Cb 0.25 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3g17 n ASP 151 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3g17 s SER 152 N -2.41 5.55 0.44 -2.24 1.04 -0.76 -4.85 113.70 110.47 3g17 s SER 152 Ca 0.30 -0.11 0.30 0.00 0.48 0.00 0.00 55.95 56.92 3g17 s SER 152 Cb 0.18 -0.95 1.35 0.00 0.10 0.00 0.00 66.02 66.71 3g17 s SER 152 CO 0.38 -0.88 1.91 1.56 0.98 0.00 0.00 173.24 177.19 3g17 h GLN 153 N 0.38 0.00 -6.26 4.02 1.08 -1.87 -3.44 115.11 109.02 3g17 h GLN 153 Ca -0.42 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.21 3g17 h GLN 153 Cb 1.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 3g17 h GLN 153 CO 0.51 0.00 1.11 0.42 -0.95 0.00 0.00 178.83 179.91 3g17 s ILE 154 N -3.59 3.70 -0.55 2.54 -1.09 -1.26 -4.81 121.20 116.13 3g17 s ILE 154 Ca 0.01 0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 59.01 3g17 s ILE 154 Cb 0.09 -3.66 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3g17 s ILE 154 CO 0.44 -0.22 0.92 -0.62 -1.23 0.00 0.00 174.94 174.23 3g17 s ASP 155 N 3.89 6.32 -0.38 3.58 2.15 0.08 -4.92 116.67 127.39 3g17 s ASP 155 Ca 0.71 -0.44 -0.19 0.00 0.43 0.00 0.00 52.55 53.06 3g17 s ASP 155 Cb -0.27 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3g17 s ASP 155 CO 0.28 -1.21 0.55 -0.63 -0.17 0.00 0.00 175.17 173.99 3g17 s ILE 156 N 3.85 4.96 -0.25 4.11 -1.09 -1.26 -0.74 121.20 130.78 3g17 s ILE 156 Ca 0.28 0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.87 3g17 s ILE 156 Cb -0.13 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3g17 s ILE 156 CO 0.18 -0.33 0.13 -0.69 -1.23 0.00 0.00 174.94 173.00 3g17 s VAL 157 N 2.51 4.94 -0.03 2.92 1.01 -0.08 -4.99 120.40 126.68 3g17 s VAL 157 Ca 0.20 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3g17 s VAL 157 Cb -0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3g17 s VAL 157 CO 0.15 0.33 0.48 -0.76 0.00 0.00 0.00 175.10 175.30 3g17 s LEU 158 N 1.37 4.41 -0.08 3.92 1.43 -1.26 -1.20 118.68 127.27 3g17 s LEU 158 Ca 0.06 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 3g17 s LEU 158 Cb -0.15 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 3g17 s LEU 158 CO 0.06 0.18 -0.12 -0.70 0.23 0.00 0.00 176.35 176.00 3g17 s GLU 159 N -0.41 2.84 0.12 1.70 2.56 0.13 -4.77 118.70 120.87 3g17 s GLU 159 Ca 0.26 -0.66 -0.16 0.00 0.00 0.00 0.00 54.97 54.41 3g17 s GLU 159 Cb -0.17 -2.50 -0.03 0.00 2.00 0.00 0.00 34.13 33.43 3g17 s GLU 159 CO 0.14 0.50 1.59 0.00 -0.56 0.00 0.00 175.26 176.93 3g17 h ALA 160 N 5.77 0.50 -3.34 6.30 0.00 -1.92 0.26 119.26 126.84 3g17 h ALA 160 Ca -0.40 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 53.75 3g17 h ALA 160 Cb 1.17 -0.14 -0.38 0.00 0.00 0.00 0.00 17.79 18.44 3g17 h ALA 160 CO 0.53 0.22 -0.78 1.21 0.00 0.00 0.00 179.25 180.43 3g17 s ASN 161 N -6.06 2.82 0.40 0.00 3.84 -1.26 -4.71 114.94 109.97 3g17 s ASN 161 Ca -0.13 -0.70 0.22 0.00 0.21 0.00 0.00 52.86 52.46 3g17 s ASN 161 Cb 0.10 -0.80 0.60 0.00 -0.55 0.00 0.00 41.25 40.60 3g17 s ASN 161 CO 0.77 -0.23 1.69 -0.29 -2.79 0.00 0.00 177.10 176.26 3g17 h ILE 162 N 6.44 0.51 -0.89 -5.21 6.09 -1.92 -3.24 117.51 119.28 3g17 h ILE 162 Ca -0.21 -1.38 0.03 0.00 -1.37 0.00 0.00 64.86 61.94 3g17 h ILE 162 Cb 1.11 1.98 -0.05 0.00 0.47 0.00 0.00 36.82 40.33 3g17 h ILE 162 CO 0.37 0.25 0.58 1.56 -3.07 0.00 0.00 178.15 177.84 3g17 h GLN 163 N 0.00 1.10 -0.44 2.19 7.50 -1.98 -0.11 115.11 123.36 3g17 h GLN 163 Ca -0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3g17 h GLN 163 Cb 0.96 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 28.22 3g17 h GLN 163 CO 0.03 0.72 0.25 0.37 -1.50 0.00 0.00 178.83 178.70 3g17 h GLN 164 N 1.13 0.62 -0.52 1.46 4.15 -1.99 -0.74 115.11 119.21 3g17 h GLN 164 Ca 0.35 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 3g17 h GLN 164 Cb -0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3g17 h GLN 164 CO -0.10 0.49 0.17 0.00 -1.93 0.00 0.00 178.83 177.46 3g17 h ALA 165 N 1.10 0.68 0.12 3.38 0.00 -1.49 0.17 119.26 123.22 3g17 h ALA 165 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3g17 h ALA 165 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3g17 h ALA 165 CO -0.03 0.33 -0.17 0.82 0.00 0.00 0.00 179.25 180.20 3g17 h ILE 166 N 0.71 0.61 -0.92 0.00 2.04 -0.89 0.11 117.51 119.18 3g17 h ILE 166 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 3g17 h ILE 166 Cb 0.26 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3g17 h ILE 166 CO -0.01 0.00 0.56 -0.50 0.00 0.00 0.00 178.15 178.20 3g17 h TRP 167 N -0.34 1.21 -0.24 1.37 4.06 -0.95 -0.53 115.95 120.54 3g17 h TRP 167 Ca 0.02 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.98 3g17 h TRP 167 Cb 0.35 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 3g17 h TRP 167 CO -0.16 0.80 0.13 -0.92 -3.56 0.00 0.00 178.44 174.72 3g17 h TYR 168 N 1.27 0.23 -0.79 0.49 3.20 -0.28 -2.31 116.97 118.79 3g17 h TYR 168 Ca 0.33 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.24 3g17 h TYR 168 Cb -0.06 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3g17 h TYR 168 CO 0.00 0.14 0.52 -0.22 -1.64 0.00 0.00 178.16 176.97 3g17 h LYS 169 N 0.26 0.99 -0.21 1.82 1.63 -0.10 -0.42 116.57 120.54 3g17 h LYS 169 Ca 0.09 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3g17 h LYS 169 Cb 0.01 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 3g17 h LYS 169 CO -0.06 0.65 0.06 -0.07 -3.45 0.00 0.00 179.45 176.58 3g17 h LEU 170 N 1.02 0.04 -0.58 5.20 3.38 -0.82 0.23 115.31 123.78 3g17 h LEU 170 Ca 0.31 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3g17 h LEU 170 Cb -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3g17 h LEU 170 CO -0.08 0.05 0.30 -0.07 0.09 0.00 0.00 178.44 178.73 3g17 h LEU 171 N 0.15 0.74 -0.63 1.67 4.07 -0.94 0.16 115.31 120.53 3g17 h LEU 171 Ca 0.09 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.03 3g17 h LEU 171 Cb 0.08 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.56 3g17 h LEU 171 CO -0.11 0.64 0.26 0.58 -1.08 0.00 0.00 178.44 178.73 3g17 h VAL 172 N 0.79 0.81 -0.27 1.22 2.07 -0.59 -2.12 116.25 118.15 3g17 h VAL 172 Ca 0.20 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 3g17 h VAL 172 Cb 0.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3g17 h VAL 172 CO -0.03 0.09 -0.23 0.78 0.02 0.00 0.00 177.57 178.20 3g17 h ASN 173 N 0.47 0.68 -0.78 0.57 2.35 -0.63 -3.20 115.58 115.03 3g17 h ASN 173 Ca 0.31 -0.46 0.15 0.00 -0.55 0.00 0.00 56.30 55.75 3g17 h ASN 173 Cb 0.35 -0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.44 3g17 h ASN 173 CO -0.28 0.99 0.33 0.25 -1.65 0.00 0.00 177.43 177.07 3g17 h LEU 174 N 0.37 0.34 0.00 1.61 5.85 -0.10 -1.39 115.31 122.00 3g17 h LEU 174 Ca 0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3g17 h LEU 174 Cb 0.78 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3g17 h LEU 174 CO 0.06 0.13 0.00 0.61 -0.34 0.00 0.00 178.44 178.89 3g17 n GLY 175 N -1.33 -1.08 0.25 3.75 0.00 -0.85 -3.44 105.19 102.50 3g17 n GLY 175 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3g17 n GLY 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g17 h ILE 176 N 0.00 1.27 -0.50 -0.61 6.09 -1.57 -2.86 117.51 119.34 3g17 h ILE 176 Ca 0.00 -1.68 -0.03 0.00 -1.37 0.00 0.00 64.86 61.77 3g17 h ILE 176 Cb 0.00 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 38.82 3g17 h ILE 176 CO 0.00 0.55 0.18 0.78 -3.07 0.00 0.00 178.15 176.59 3g17 h ASN 177 N 0.70 0.71 -0.46 2.19 4.21 -1.47 -1.13 115.58 120.33 3g17 h ASN 177 Ca 0.03 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 3g17 h ASN 177 Cb 1.11 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.10 3g17 h ASN 177 CO 0.11 0.71 0.26 0.28 -1.29 0.00 0.00 177.43 177.51 3g17 h SER 178 N 0.67 0.57 -0.18 5.81 0.02 -1.57 -1.16 113.55 117.71 3g17 h SER 178 Ca 0.16 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3g17 h SER 178 Cb 0.24 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3g17 h SER 178 CO -0.01 0.48 -0.30 0.40 -1.14 0.00 0.00 176.83 176.26 3g17 h ILE 179 N 0.61 1.34 -0.40 3.27 5.03 -1.29 -0.23 117.51 125.83 3g17 h ILE 179 Ca 0.16 -1.53 -0.15 0.00 -0.12 0.00 0.00 64.86 63.23 3g17 h ILE 179 Cb 0.03 1.89 -0.01 0.00 -3.03 0.00 0.00 36.82 35.70 3g17 h ILE 179 CO -0.03 0.46 -0.35 0.71 -0.68 0.00 0.00 178.15 178.27 3g17 h THR 180 N 0.17 1.27 0.27 -0.27 1.35 -1.22 0.12 112.91 114.60 3g17 h THR 180 Ca 0.01 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 3g17 h THR 180 Cb 0.88 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3g17 h THR 180 CO 0.07 0.51 -0.13 0.00 -0.25 0.00 0.00 175.52 175.72 3g17 h ALA 181 N 0.79 -0.36 0.00 6.62 0.00 -1.16 -0.41 119.26 124.74 3g17 h ALA 181 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3g17 h ALA 181 Cb 0.94 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3g17 h ALA 181 CO 0.09 -0.61 -0.36 -0.07 0.00 0.00 0.00 179.25 178.31 3g17 h LEU 182 N -0.56 0.00 -0.04 0.00 3.38 -1.05 -2.05 115.31 114.98 3g17 h LEU 182 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g17 h LEU 182 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3g17 h LEU 182 CO 0.06 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3g17 n GLY 183 N -0.08 -1.62 3.92 0.83 0.00 0.40 -4.93 105.19 103.71 3g17 n GLY 183 Ca -0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.07 -4.63 -4.01 1.61 5.12 -0.25 -4.98 116.66 107.45 3g17 n ARG 184 Ca 0.06 0.54 -0.08 0.00 -1.93 0.00 0.00 57.85 56.43 3g17 n ARG 184 Cb 0.39 -5.19 -0.10 0.00 -1.16 0.00 0.00 32.46 26.40 3g17 n ARG 184 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3g17 s GLN 185 N -6.50 0.45 1.17 5.56 -0.21 -0.66 -5.05 119.66 114.42 3g17 s GLN 185 Ca 0.40 -0.83 -0.19 0.00 0.02 0.00 0.00 55.36 54.76 3g17 s GLN 185 Cb -0.20 0.16 0.28 0.00 1.00 0.00 0.00 33.01 34.24 3g17 s GLN 185 CO 0.85 -0.08 1.14 0.95 -2.12 0.00 0.00 175.29 176.02 3g17 s THR 186 N -2.42 1.65 0.60 -0.19 -4.23 -1.26 -4.55 115.64 105.24 3g17 s THR 186 Ca -0.07 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.73 3g17 s THR 186 Cb -0.03 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.63 3g17 s THR 186 CO -0.04 0.00 1.95 0.58 -0.54 0.00 0.00 174.62 176.57 3g17 h VAL 187 N -2.47 0.35 -1.44 2.29 2.07 -0.92 -1.86 116.25 114.27 3g17 h VAL 187 Ca -0.45 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.49 3g17 h VAL 187 Cb 1.29 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3g17 h VAL 187 CO 0.35 0.00 1.08 0.00 0.02 0.00 0.00 177.57 179.01 3g17 h ALA 188 N 1.53 3.35 -0.81 1.67 0.00 -1.52 0.26 119.26 123.73 3g17 h ALA 188 Ca 0.16 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.25 3g17 h ALA 188 Cb 0.94 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3g17 h ALA 188 CO -0.00 -1.82 0.63 0.97 0.00 0.00 0.00 179.25 179.03 3g17 h ILE 189 N 0.00 0.50 0.00 0.00 2.10 -1.65 -2.30 117.51 116.17 3g17 h ILE 189 Ca 0.68 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.62 3g17 h ILE 189 Cb 2.83 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.11 3g17 h ILE 189 CO -0.01 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.29 3g17 n MET 190 N -4.13 0.29 0.12 2.19 2.81 0.91 -1.63 117.12 117.67 3g17 n MET 190 Ca 0.17 0.09 0.12 0.00 -1.81 0.00 0.00 57.70 56.27 3g17 n MET 190 Cb 0.92 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 32.15 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 -2.75 2.03 3.86 -1.64 -3.41 115.15 113.24 3g17 h HIS 191 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3g17 h HIS 191 Cb 0.08 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3g17 h HIS 191 CO 0.00 0.00 1.16 -0.80 0.86 0.00 0.00 177.93 179.15 3g17 s ASN 192 N -4.95 6.29 0.44 2.45 0.01 -0.65 -4.90 114.94 113.62 3g17 s ASN 192 Ca 0.07 1.57 0.10 0.00 -0.71 0.00 0.00 52.86 53.89 3g17 s ASN 192 Cb 0.11 -2.53 0.98 0.00 0.41 0.00 0.00 41.25 40.21 3g17 s ASN 192 CO 0.68 -1.34 2.05 -0.65 -1.51 0.00 0.00 177.10 176.33 3g17 h PRO 193 N 11.12 0.41 0.00 -0.60 0.11 -1.88 -1.47 132.00 139.69 3g17 h PRO 193 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 3g17 h PRO 193 Cb 1.16 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3g17 h PRO 193 CO 1.01 0.27 -0.29 0.93 -0.21 0.00 0.00 178.00 179.71 3g17 h GLU 194 N 0.42 0.00 0.13 1.05 3.07 -1.95 -1.23 114.58 116.08 3g17 h GLU 194 Ca 0.16 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.74 3g17 h GLU 194 Cb 0.12 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3g17 h GLU 194 CO -0.04 0.29 -1.24 0.82 -1.40 0.00 0.00 179.01 177.44 3g17 h ILE 195 N 0.00 1.43 -0.38 3.13 2.04 -1.62 -1.55 117.51 120.57 3g17 h ILE 195 Ca -0.00 -2.87 -0.01 0.00 1.00 0.00 0.00 64.86 62.98 3g17 h ILE 195 Cb 0.52 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 3g17 h ILE 195 CO 0.04 0.85 0.21 0.03 0.00 0.00 0.00 178.15 179.27 3g17 h ARG 196 N 0.12 0.54 -0.21 2.37 3.08 -0.94 0.43 114.38 119.76 3g17 h ARG 196 Ca -0.15 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.87 3g17 h ARG 196 Cb 1.94 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.86 3g17 h ARG 196 CO 0.21 0.44 0.01 0.82 -1.07 0.00 0.00 179.97 180.39 3g17 h ILE 197 N 0.49 0.86 -0.35 2.04 2.04 -1.29 -2.03 117.51 119.27 3g17 h ILE 197 Ca 0.13 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3g17 h ILE 197 Cb 0.06 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3g17 h ILE 197 CO -0.02 0.02 0.12 0.25 0.00 0.00 0.00 178.15 178.52 3g17 h LEU 198 N 0.08 0.13 -0.01 1.44 5.85 -0.53 -0.57 115.31 121.71 3g17 h LEU 198 Ca 0.10 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3g17 h LEU 198 Cb 0.12 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3g17 h LEU 198 CO -0.16 0.11 -0.09 0.00 -0.34 0.00 0.00 178.44 177.96 3g17 h ARG 200 N -0.16 0.33 -0.50 0.00 2.43 -1.03 0.21 114.38 115.66 3g17 h ARG 200 Ca 0.04 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3g17 h ARG 200 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3g17 h ARG 200 CO -0.10 0.22 0.30 1.96 -1.51 0.00 0.00 179.97 180.83 3g17 h GLN 201 N 0.34 0.58 -0.32 0.20 1.08 -0.16 -0.67 115.11 116.16 3g17 h GLN 201 Ca 0.21 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3g17 h GLN 201 Cb 0.21 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3g17 h GLN 201 CO -0.22 0.39 0.16 1.25 -0.95 0.00 0.00 178.83 179.46 3g17 h LEU 202 N 0.60 0.41 -1.26 1.46 5.85 -0.22 -0.57 115.31 121.58 3g17 h LEU 202 Ca 0.20 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3g17 h LEU 202 Cb 0.01 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3g17 h LEU 202 CO -0.08 0.40 0.48 -0.07 -0.34 0.00 0.00 178.44 178.82 3g17 h LEU 203 N 0.38 0.85 -0.60 2.25 3.38 -0.73 -1.76 115.31 119.09 3g17 h LEU 203 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3g17 h LEU 203 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3g17 h LEU 203 CO -0.02 0.63 0.34 -0.07 0.09 0.00 0.00 178.44 179.41 3g17 h LEU 204 N 1.00 0.75 -0.44 1.67 3.38 -0.53 0.11 115.31 121.24 3g17 h LEU 204 Ca 0.27 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3g17 h LEU 204 Cb -0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3g17 h LEU 204 CO -0.06 0.62 0.14 0.44 0.09 0.00 0.00 178.44 179.68 3g17 h ASP 205 N 0.82 0.13 -0.75 -0.43 5.19 -0.59 -0.16 116.42 120.62 3g17 h ASP 205 Ca 0.21 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.64 3g17 h ASP 205 Cb 0.03 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 3g17 h ASP 205 CO -0.04 0.11 0.33 1.23 -3.12 0.00 0.00 179.24 177.75 3g17 h GLY 206 N 0.30 1.19 1.00 2.75 0.00 -1.00 -2.15 103.07 105.16 3g17 h GLY 206 Ca 0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3g17 h GLY 206 CO -0.23 0.58 0.35 0.00 0.00 0.00 0.00 176.54 177.25 3g17 h ARG 208 N 0.83 0.44 0.05 0.00 2.43 -0.74 -0.48 114.38 116.91 3g17 h ARG 208 Ca 0.22 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3g17 h ARG 208 Cb 0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3g17 h ARG 208 CO -0.04 0.39 -0.03 0.28 -1.51 0.00 0.00 179.97 179.07 3g17 h VAL 209 N 0.44 1.29 -0.66 0.20 2.07 -0.68 -2.90 116.25 116.00 3g17 h VAL 209 Ca 0.11 -1.29 0.14 0.00 0.82 0.00 0.00 66.70 66.48 3g17 h VAL 209 Cb 0.14 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 31.91 3g17 h VAL 209 CO -0.01 0.32 0.03 0.00 0.02 0.00 0.00 177.57 177.93 3g17 h ALA 210 N 0.21 0.69 -0.41 1.67 0.00 -0.63 -1.72 119.26 119.07 3g17 h ALA 210 Ca -0.01 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3g17 h ALA 210 Cb 0.57 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3g17 h ALA 210 CO 0.01 -0.39 -0.01 1.96 0.00 0.00 0.00 179.25 180.82 3g17 h GLN 211 N 0.14 0.09 0.00 0.00 4.20 -1.15 -1.09 115.11 117.30 3g17 h GLN 211 Ca 0.35 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3g17 h GLN 211 Cb 0.58 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3g17 h GLN 211 CO -0.55 0.06 -0.01 0.00 -0.67 0.00 0.00 178.83 177.66 3g17 h ALA 212 N 1.37 1.41 -0.02 3.87 0.00 -1.12 0.18 119.26 124.95 3g17 h ALA 212 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g17 h ALA 212 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3g17 h ALA 212 CO -0.35 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.31 3g17 n GLU 213 N -3.69 1.69 -0.60 0.00 -0.58 -0.77 -4.94 120.64 111.75 3g17 n GLU 213 Ca -0.03 -1.00 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3g17 n GLU 213 Cb 0.10 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.18 1.29 3.72 0.62 0.00 0.62 -5.07 105.19 107.54 3g17 n GLY 214 Ca 0.19 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.86 -0.00 0.99 1.02 -0.48 -4.99 118.68 119.06 3g17 s LEU 215 Ca 0.00 0.21 -0.03 0.00 0.02 0.00 0.00 54.13 54.33 3g17 s LEU 215 Cb 0.00 -1.92 -0.12 0.00 0.02 0.00 0.00 46.19 44.17 3g17 s LEU 215 CO 0.00 0.33 1.86 0.59 0.02 0.00 0.00 176.35 179.15 3g17 n ASN 216 N 2.50 2.29 -4.95 2.29 3.02 -1.26 -3.77 115.26 115.39 3g17 n ASN 216 Ca -0.18 -1.93 -0.24 0.00 -0.03 0.00 0.00 54.58 52.19 3g17 n ASN 216 Cb 0.54 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 3g17 n ASN 216 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3g17 s PHE 217 N 2.14 3.48 0.33 3.10 0.08 -1.26 -5.02 117.98 120.82 3g17 s PHE 217 Ca 0.29 0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 3g17 s PHE 217 Cb 0.14 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.88 3g17 s PHE 217 CO -0.00 0.36 0.64 -1.13 -0.10 0.00 0.00 175.22 174.98 3g17 n SER 218 N -1.14 -1.85 -0.30 1.36 3.41 -1.26 -4.86 113.62 108.98 3g17 n SER 218 Ca -0.06 -2.36 0.04 0.00 -0.26 0.00 0.00 58.87 56.22 3g17 n SER 218 Cb 0.55 3.10 0.24 0.00 -0.26 0.00 0.00 64.21 67.84 3g17 n SER 218 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g17 h GLU 219 N 0.00 1.00 -0.95 4.33 4.81 -2.00 -1.71 114.58 120.07 3g17 h GLU 219 Ca -0.28 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 3g17 h GLU 219 Cb 1.03 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 3g17 h GLU 219 CO 0.35 0.66 0.62 0.37 -0.73 0.00 0.00 179.01 180.28 3g17 h GLN 220 N 1.04 1.15 -0.74 1.92 4.15 -1.99 0.73 115.11 121.37 3g17 h GLN 220 Ca 0.39 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.79 3g17 h GLN 220 Cb 0.19 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.57 3g17 h GLN 220 CO -0.14 0.76 0.45 1.15 -1.93 0.00 0.00 178.83 179.11 3g17 h THR 221 N 1.18 1.04 -0.02 2.39 2.02 -1.71 -0.47 112.91 117.34 3g17 h THR 221 Ca 0.38 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3g17 h THR 221 Cb 0.03 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3g17 h THR 221 CO -0.13 0.15 0.01 0.58 0.37 0.00 0.00 175.52 176.50 3g17 h VAL 222 N 0.84 1.13 -0.74 3.16 2.07 -0.95 -1.89 116.25 119.87 3g17 h VAL 222 Ca 0.31 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3g17 h VAL 222 Cb 0.11 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3g17 h VAL 222 CO -0.15 0.10 0.38 0.44 0.02 0.00 0.00 177.57 178.36 3g17 h ASP 223 N -0.11 0.51 -0.21 0.57 3.32 -0.55 -1.28 116.42 118.66 3g17 h ASP 223 Ca 0.01 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3g17 h ASP 223 Cb 0.15 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3g17 h ASP 223 CO -0.00 0.28 -0.23 0.71 -1.72 0.00 0.00 179.24 178.29 3g17 h THR 224 N 0.64 1.27 -0.54 0.35 1.35 -0.81 -2.26 112.91 112.91 3g17 h THR 224 Ca 0.37 -1.30 -0.05 0.00 -0.55 0.00 0.00 66.41 64.88 3g17 h THR 224 Cb 0.39 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3g17 h THR 224 CO -0.27 0.43 0.15 0.40 -0.25 0.00 0.00 175.52 175.97 3g17 h ILE 225 N 0.58 1.24 -0.33 6.82 2.04 -0.69 -0.82 117.51 126.35 3g17 h ILE 225 Ca 0.08 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.21 3g17 h ILE 225 Cb 0.70 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3g17 h ILE 225 CO 0.05 0.31 0.24 0.24 0.00 0.00 0.00 178.15 178.99 3g17 h MET 226 N 0.75 0.00 -0.18 2.37 2.86 -1.00 -2.31 114.93 117.42 3g17 h MET 226 Ca 0.17 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.63 3g17 h MET 226 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3g17 h MET 226 CO -0.00 0.00 -0.61 1.15 1.06 0.00 0.00 176.91 178.50 3g17 h THR 227 N 0.00 1.32 -0.37 2.22 2.02 -0.59 -1.92 112.91 115.59 3g17 h THR 227 Ca 0.16 -1.87 0.02 0.00 0.77 0.00 0.00 66.41 65.49 3g17 h THR 227 Cb 0.65 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 3g17 h THR 227 CO -0.00 0.58 0.19 0.40 0.37 0.00 0.00 175.52 177.06 3g17 h ILE 228 N 0.46 1.00 -0.52 3.11 2.04 -0.78 -3.09 117.51 119.73 3g17 h ILE 228 Ca -0.01 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3g17 h ILE 228 Cb 1.19 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3g17 h ILE 228 CO 0.12 0.07 0.20 1.88 0.00 0.00 0.00 178.15 180.42 3g17 h TYR 229 N 0.39 0.81 0.00 1.37 0.99 -1.31 -2.58 116.97 116.64 3g17 h TYR 229 Ca 0.15 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3g17 h TYR 229 Cb 0.05 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 37.54 3g17 h TYR 229 CO -0.09 0.68 0.00 -0.56 -0.00 0.00 0.00 178.16 178.18 3g17 h GLN 230 N 0.71 0.00 -0.27 4.88 3.07 -1.35 -0.03 115.11 122.12 3g17 h GLN 230 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3g17 h GLN 230 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 3g17 h GLN 230 CO -0.01 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.32 3g17 n GLY 231 N -0.46 0.52 3.83 0.06 0.00 -0.97 -4.90 105.19 103.28 3g17 n GLY 231 Ca -0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 3g17 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g17 s TYR 232 N -1.65 3.62 0.30 1.61 2.02 -0.03 -5.04 117.35 118.19 3g17 s TYR 232 Ca 0.28 1.16 -0.29 0.00 -0.37 0.00 0.00 57.07 57.85 3g17 s TYR 232 Cb 0.15 -2.44 -0.10 0.00 -0.40 0.00 0.00 41.96 39.17 3g17 s TYR 232 CO 0.21 0.40 1.24 -1.25 -1.57 0.00 0.00 175.55 174.59 3g17 s PRO 233 N -1.95 4.46 0.54 -1.71 0.04 -1.26 -4.88 135.00 130.23 3g17 s PRO 233 Ca 0.39 2.06 0.39 0.00 0.04 0.00 0.00 61.00 63.88 3g17 s PRO 233 Cb -0.15 -3.13 1.57 0.00 0.04 0.00 0.00 34.50 32.83 3g17 s PRO 233 CO 0.20 -0.06 1.75 -0.44 0.04 0.00 0.00 177.00 178.49 3g17 h ASP 234 N 3.76 0.03 -0.08 6.66 5.19 -1.96 -0.51 116.42 129.51 3g17 h ASP 234 Ca -0.48 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3g17 h ASP 234 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3g17 h ASP 234 CO 0.67 -0.00 0.00 -1.84 -3.12 0.00 0.00 179.24 174.95 3g17 n GLU 235 N -4.16 1.89 -2.60 3.56 0.00 -1.26 -1.43 120.64 116.63 3g17 n GLU 235 Ca 0.30 -1.31 -0.42 0.00 0.00 0.00 0.00 57.16 55.73 3g17 n GLU 235 Cb 1.39 -1.46 -0.04 0.00 0.00 0.00 0.00 31.44 31.34 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 -1.92 4.57 0.63 3.44 1.75 -0.20 -4.85 119.30 122.73 3g17 s MET 236 Ca 0.35 1.58 0.06 0.00 -1.25 0.00 0.00 55.69 56.43 3g17 s MET 236 Cb 0.20 -3.37 0.10 0.00 2.84 0.00 0.00 34.83 34.60 3g17 s MET 236 CO 0.31 0.00 0.86 0.20 -0.65 0.00 0.00 175.02 175.75 3g17 s GLY 237 N 0.50 1.74 0.38 2.11 0.00 -1.26 -0.94 107.32 109.85 3g17 s GLY 237 Ca 0.52 -2.03 0.08 0.00 0.00 0.00 0.00 44.72 43.29 3g17 s GLY 237 CO 0.30 -1.52 -0.01 -0.51 0.00 0.00 0.00 173.10 171.36 3g17 s THR 238 N -2.83 2.19 0.21 0.90 -4.23 -1.26 -4.94 115.64 105.67 3g17 s THR 238 Ca 0.64 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 3g17 s THR 238 Cb -0.05 -2.85 0.15 0.00 1.34 0.00 0.00 72.50 71.09 3g17 s THR 238 CO 0.41 -0.09 1.84 0.77 -0.54 0.00 0.00 174.62 177.00 3g17 h SER 239 N 1.83 0.93 -0.34 3.99 4.64 -1.97 -0.46 113.55 122.18 3g17 h SER 239 Ca -0.43 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 60.74 3g17 h SER 239 Cb 1.25 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3g17 h SER 239 CO 0.75 0.74 -0.03 -0.03 -0.87 0.00 0.00 176.83 177.38 3g17 h MET 240 N 1.04 0.72 -0.19 4.77 1.85 -1.96 -1.08 114.93 120.09 3g17 h MET 240 Ca 0.27 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 3g17 h MET 240 Cb -0.00 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 3g17 h MET 240 CO -0.05 0.76 0.10 -0.92 -0.40 0.00 0.00 176.91 176.40 3g17 h TYR 241 N 0.67 0.26 -0.80 1.39 3.20 -1.63 -1.55 116.97 118.51 3g17 h TYR 241 Ca 0.13 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3g17 h TYR 241 Cb 0.46 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3g17 h TYR 241 CO 0.02 0.25 0.34 1.88 -1.64 0.00 0.00 178.16 179.01 3g17 h TYR 242 N 0.19 1.20 -0.66 -3.82 0.05 -0.89 -1.64 116.97 111.39 3g17 h TYR 242 Ca 0.06 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3g17 h TYR 242 Cb 0.08 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 3g17 h TYR 242 CO -0.03 0.90 0.43 -0.44 -1.05 0.00 0.00 178.16 177.97 3g17 h ASP 243 N 1.16 0.74 -0.37 3.88 3.32 -1.07 -1.73 116.42 122.35 3g17 h ASP 243 Ca 0.27 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3g17 h ASP 243 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3g17 h ASP 243 CO -0.03 0.53 -0.37 -0.29 -1.72 0.00 0.00 179.24 177.37 3g17 h ILE 244 N 0.88 1.28 -0.04 0.35 2.10 -0.95 0.55 117.51 121.68 3g17 h ILE 244 Ca 0.25 -1.54 -0.11 0.00 1.08 0.00 0.00 64.86 64.53 3g17 h ILE 244 Cb -0.07 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 3g17 h ILE 244 CO -0.07 0.51 -0.50 0.58 -1.08 0.00 0.00 178.15 177.60 3g17 h VAL 245 N 0.71 1.36 -0.11 2.19 2.07 -1.23 -1.36 116.25 119.88 3g17 h VAL 245 Ca 0.06 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3g17 h VAL 245 Cb 0.96 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3g17 h VAL 245 CO 0.09 0.50 0.00 1.41 0.02 0.00 0.00 177.57 179.60 3g17 n HIS 246 N -3.94 0.14 -2.91 1.57 8.25 -0.66 -4.92 115.22 112.75 3g17 n HIS 246 Ca -0.02 -0.07 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 3g17 n HIS 246 Cb 0.53 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.20 -4.16 -3.15 -0.41 6.02 -0.51 -4.99 117.38 109.98 3g17 n GLN 247 Ca 0.10 0.90 -0.23 0.00 -0.01 0.00 0.00 57.00 57.76 3g17 n GLN 247 Cb 0.15 -5.71 0.00 0.00 1.02 0.00 0.00 30.24 25.70 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 -5.59 3.21 0.78 -1.09 -1.52 0.13 -5.03 119.66 110.55 3g17 s GLN 248 Ca 0.25 -0.48 -0.14 0.00 -1.95 0.00 0.00 55.36 53.04 3g17 s GLN 248 Cb -0.11 -2.61 0.07 0.00 -0.22 0.00 0.00 33.01 30.13 3g17 s GLN 248 CO 0.30 -0.11 1.20 -2.14 -0.25 0.00 0.00 175.29 174.30 3g17 s PRO 249 N -4.45 1.83 0.32 2.91 0.02 -1.26 -4.55 135.00 129.82 3g17 s PRO 249 Ca 0.45 1.74 0.07 0.00 0.02 0.00 0.00 61.00 63.28 3g17 s PRO 249 Cb -0.10 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3g17 s PRO 249 CO 0.37 -2.06 0.36 -0.51 -0.33 0.00 0.00 177.00 174.83 3g17 s LEU 250 N -5.52 3.85 -0.02 -5.54 1.43 -1.26 -4.87 118.68 106.75 3g17 s LEU 250 Ca 0.73 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3g17 s LEU 250 Cb -0.28 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.47 3g17 s LEU 250 CO 0.49 -0.33 0.60 -0.62 0.23 0.00 0.00 176.35 176.72 3g17 n GLU 251 N -1.47 1.24 -0.23 1.70 1.02 -1.26 -4.60 120.64 117.05 3g17 n GLU 251 Ca -0.02 -0.20 -0.01 0.00 -0.02 0.00 0.00 57.16 56.90 3g17 n GLU 251 Cb 0.59 -1.53 0.10 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.25 0.93 0.00 2.62 3.04 -1.94 -2.38 116.25 118.77 3g17 h VAL 252 Ca 0.00 -0.22 -0.05 0.00 -1.01 0.00 0.00 66.70 65.42 3g17 h VAL 252 Cb 0.62 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 3g17 h VAL 252 CO 0.03 0.12 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.13 3g17 h GLU 253 N 0.64 0.00 0.00 4.17 4.39 -1.96 -0.21 114.58 121.61 3g17 h GLU 253 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 3g17 h GLU 253 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3g17 h GLU 253 CO -0.20 0.25 -0.31 0.00 -1.16 0.00 0.00 179.01 177.59 3g17 n ALA 254 N -2.39 2.94 -2.00 3.43 0.00 -0.90 -2.12 120.51 119.46 3g17 n ALA 254 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3g17 n ALA 254 Cb 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.66 0.00 -0.31 0.00 5.41 -0.78 -3.92 119.36 118.10 3g17 n ILE 255 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.90 3g17 n ILE 255 Cb 0.36 -0.09 0.31 0.00 -0.71 0.00 0.00 39.64 39.51 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 0.81 -0.37 0.38 7.50 -1.73 -2.13 115.11 119.57 3g17 h GLN 256 Ca 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 3g17 h GLN 256 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.33 3g17 h GLN 256 CO 0.00 0.54 0.09 0.78 -1.50 0.00 0.00 178.83 178.73 3g17 h GLY 257 N 0.83 0.64 0.88 3.46 0.00 -1.20 -1.34 103.07 106.34 3g17 h GLY 257 Ca 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3g17 h GLY 257 CO -0.24 0.37 -0.13 -2.75 0.00 0.00 0.00 176.54 173.80 3g17 h PHE 258 N 0.45 -0.33 -0.40 5.60 3.57 -1.01 -1.06 116.94 123.75 3g17 h PHE 258 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3g17 h PHE 258 Cb 0.31 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3g17 h PHE 258 CO 0.02 -0.20 0.17 0.82 -2.23 0.00 0.00 178.31 176.89 3g17 h ILE 259 N -0.29 0.92 -0.86 1.41 2.04 -1.38 -1.82 117.51 117.53 3g17 h ILE 259 Ca -0.00 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3g17 h ILE 259 Cb 0.27 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3g17 h ILE 259 CO -0.02 0.06 0.57 0.22 0.00 0.00 0.00 178.15 178.98 3g17 h TYR 260 N 0.35 1.07 -0.11 1.37 5.03 -1.09 -0.24 116.97 123.35 3g17 h TYR 260 Ca 0.18 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.31 3g17 h TYR 260 Cb 0.13 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.06 3g17 h TYR 260 CO -0.13 0.65 -0.77 0.00 -1.32 0.00 0.00 178.16 176.59 3g17 h ARG 261 N 1.13 0.59 -0.81 1.82 3.08 -0.88 -1.13 114.38 118.18 3g17 h ARG 261 Ca 0.33 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3g17 h ARG 261 Cb -0.08 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3g17 h ARG 261 CO -0.09 1.12 0.52 0.00 -1.07 0.00 0.00 179.97 180.44 3g17 h ARG 262 N 0.40 1.08 -0.66 0.04 -0.00 -1.15 -1.91 114.38 112.18 3g17 h ARG 262 Ca -0.05 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 3g17 h ARG 262 Cb 1.38 -0.24 -0.03 0.00 0.00 0.00 0.00 29.97 31.08 3g17 h ARG 262 CO 0.15 0.73 0.36 0.00 0.00 0.00 0.00 179.97 181.21 3g17 h ALA 263 N 1.46 0.85 0.14 0.04 0.00 -0.41 -2.76 119.26 118.58 3g17 h ALA 263 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3g17 h ALA 263 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3g17 h ALA 263 CO -0.06 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.49 3g17 h ARG 264 N 0.91 -0.18 0.00 0.00 2.47 -0.96 -2.15 114.38 114.46 3g17 h ARG 264 Ca 0.23 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3g17 h ARG 264 Cb 0.04 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3g17 h ARG 264 CO -0.04 0.04 0.00 -0.85 0.56 0.00 0.00 179.97 179.68 3g17 n GLU 265 N -5.09 0.14 -0.12 0.04 0.28 -0.74 -0.38 120.64 114.77 3g17 n GLU 265 Ca -0.09 0.63 0.07 0.00 -0.16 0.00 0.00 57.16 57.62 3g17 n GLU 265 Cb 0.17 -1.95 0.14 0.00 1.43 0.00 0.00 31.44 31.22 3g17 n GLU 265 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g17 n HIS 266 N -2.25 0.32 -3.82 -1.84 8.25 -1.05 -5.01 115.22 109.83 3g17 n HIS 266 Ca -0.01 -0.26 -0.28 0.00 -0.26 0.00 0.00 57.72 56.91 3g17 n HIS 266 Cb 0.04 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.18 3g17 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g17 n ASN 267 N 0.84 -4.54 -4.90 0.41 4.13 0.48 -4.98 115.26 106.70 3g17 n ASN 267 Ca 0.12 -0.74 -0.28 0.00 1.68 0.00 0.00 54.58 55.36 3g17 n ASN 267 Cb 0.43 -4.15 -0.00 0.00 -1.54 0.00 0.00 39.78 34.51 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3g17 s LEU 268 N -7.19 3.61 -0.44 3.41 1.43 -0.86 -5.05 118.68 113.60 3g17 s LEU 268 Ca 0.54 1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 3g17 s LEU 268 Cb -0.27 -3.96 0.05 0.00 0.03 0.00 0.00 46.19 42.04 3g17 s LEU 268 CO 0.81 -0.59 0.34 -0.62 0.23 0.00 0.00 176.35 176.52 3g17 s ASP 269 N -3.99 6.09 -0.40 2.29 -1.08 -1.26 -4.85 116.67 113.47 3g17 s ASP 269 Ca 0.49 -1.13 0.08 0.00 -0.52 0.00 0.00 52.55 51.47 3g17 s ASP 269 Cb -0.10 -2.16 0.25 0.00 -1.46 0.00 0.00 42.92 39.45 3g17 s ASP 269 CO 0.44 -0.54 0.54 0.35 0.52 0.00 0.00 175.17 176.48 3g17 n THR 270 N 5.16 -0.53 -0.04 1.71 -2.24 -1.26 -4.97 114.28 112.11 3g17 n THR 270 Ca -0.12 -4.09 0.01 0.00 -2.27 0.00 0.00 64.05 57.58 3g17 n THR 270 Cb 0.45 -1.89 0.33 0.00 -2.10 0.00 0.00 70.33 67.13 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 3.96 0.61 0.04 -0.78 0.13 -1.99 -0.99 132.00 132.99 3g17 h PRO 271 Ca 0.08 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3g17 h PRO 271 Cb 0.87 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3g17 h PRO 271 CO 0.48 0.51 -0.02 1.88 -0.23 0.00 0.00 178.00 180.61 3g17 h TYR 272 N 0.61 -0.05 -0.66 1.56 0.05 -1.93 -1.36 116.97 115.19 3g17 h TYR 272 Ca 0.15 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.07 3g17 h TYR 272 Cb 0.12 0.02 -0.12 0.00 1.01 0.00 0.00 36.73 37.76 3g17 h TYR 272 CO 0.01 0.52 -0.11 1.25 -1.05 0.00 0.00 178.16 178.78 3g17 h LEU 273 N -0.68 -0.51 -0.48 3.88 5.85 -1.84 -1.95 115.31 119.58 3g17 h LEU 273 Ca -0.01 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3g17 h LEU 273 Cb 0.60 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3g17 h LEU 273 CO 0.01 -0.19 0.07 0.44 -0.34 0.00 0.00 178.44 178.42 3g17 h ASP 274 N 0.03 0.78 -0.03 1.25 5.19 -1.06 0.15 116.42 122.73 3g17 h ASP 274 Ca 0.33 -0.27 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 3g17 h ASP 274 Cb 0.52 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3g17 h ASP 274 CO -0.65 0.85 -0.28 0.00 -3.12 0.00 0.00 179.24 176.05 3g17 h THR 275 N 0.68 1.27 0.11 0.35 1.03 -0.94 -0.93 112.91 114.47 3g17 h THR 275 Ca 0.15 -1.31 -0.01 0.00 -0.01 0.00 0.00 66.41 65.23 3g17 h THR 275 Cb 0.41 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 3g17 h THR 275 CO 0.01 0.41 -0.05 0.40 -0.01 0.00 0.00 175.52 176.28 3g17 h ILE 276 N 0.41 1.05 -0.68 0.00 5.03 -1.06 -2.78 117.51 119.49 3g17 h ILE 276 Ca 0.06 -0.60 0.09 0.00 -0.12 0.00 0.00 64.86 64.29 3g17 h ILE 276 Cb 0.70 1.43 -0.07 0.00 -3.03 0.00 0.00 36.82 35.84 3g17 h ILE 276 CO 0.05 0.15 0.31 0.22 -0.68 0.00 0.00 178.15 178.20 3g17 h TYR 277 N -0.42 0.55 -0.83 1.37 3.20 -0.59 -1.92 116.97 118.33 3g17 h TYR 277 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3g17 h TYR 277 Cb 0.35 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3g17 h TYR 277 CO 0.02 0.18 0.40 0.66 -1.64 0.00 0.00 178.16 177.78 3g17 h SER 278 N 0.53 1.09 -0.21 -2.11 4.64 -1.09 0.13 113.55 116.54 3g17 h SER 278 Ca 0.34 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 3g17 h SER 278 Cb 0.38 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3g17 h SER 278 CO -0.28 0.92 -0.33 -0.26 -0.87 0.00 0.00 176.83 176.01 3g17 h PHE 279 N 1.18 0.84 -0.18 4.77 0.04 -1.21 -1.51 116.94 120.87 3g17 h PHE 279 Ca 0.29 -0.22 -0.20 0.00 2.80 0.00 0.00 57.97 60.64 3g17 h PHE 279 Cb 0.12 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.08 3g17 h PHE 279 CO 0.01 0.95 -0.66 -0.07 -0.60 0.00 0.00 178.31 177.95 3g17 h LEU 280 N 0.61 0.89 -0.80 1.54 3.38 -0.86 -1.70 115.31 118.37 3g17 h LEU 280 Ca 0.07 -0.60 0.12 0.00 0.09 0.00 0.00 57.88 57.55 3g17 h LEU 280 Cb 0.85 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 3g17 h LEU 280 CO 0.07 1.34 0.42 -0.09 0.09 0.00 0.00 178.44 180.27 3g17 h ARG 281 N 0.49 0.64 -0.32 1.13 9.65 -0.80 -0.91 114.38 124.25 3g17 h ARG 281 Ca -0.03 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.70 3g17 h ARG 281 Cb 1.28 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 3g17 h ARG 281 CO 0.14 0.42 -0.22 0.00 2.80 0.00 0.00 179.97 183.11 3g17 h ALA 282 N 1.49 0.46 -0.57 2.80 0.00 -1.08 -0.70 119.26 121.67 3g17 h ALA 282 Ca 0.41 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3g17 h ALA 282 Cb 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3g17 h ALA 282 CO -0.31 0.43 0.18 -0.92 0.00 0.00 0.00 179.25 178.63 3g17 h TYR 283 N 0.49 0.30 -0.52 0.00 3.20 -1.16 -1.62 116.97 117.66 3g17 h TYR 283 Ca 0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3g17 h TYR 283 Cb 0.78 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3g17 h TYR 283 CO 0.06 0.05 -0.01 0.37 -1.64 0.00 0.00 178.16 176.99 3g17 h GLN 284 N 0.34 0.89 -0.16 1.82 5.75 -0.63 -1.89 115.11 121.23 3g17 h GLN 284 Ca 0.29 -0.26 -0.22 0.00 -0.15 0.00 0.00 58.65 58.31 3g17 h GLN 284 Cb 0.38 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.84 3g17 h GLN 284 CO -0.32 0.90 -0.75 1.96 -2.65 0.00 0.00 178.83 177.96 3g17 h GLN 285 N 0.82 0.77 -0.76 1.69 1.08 -1.01 -1.40 115.11 116.31 3g17 h GLN 285 Ca 0.15 -0.61 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 3g17 h GLN 285 Cb 0.51 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 3g17 h GLN 285 CO 0.03 1.23 0.41 -0.97 -0.95 0.00 0.00 178.83 178.57 3g17 h ASN 286 N 0.53 0.95 -0.42 1.46 -1.24 -1.14 -2.30 115.58 113.43 3g17 h ASN 286 Ca -0.04 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 56.78 3g17 h ASN 286 Cb 1.38 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 3g17 h ASN 286 CO 0.15 0.78 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.92 3g17 h GLU 287 N 1.05 0.79 -0.61 6.67 4.22 -1.19 -1.29 114.58 124.22 3g17 h GLU 287 Ca 0.27 -0.29 -0.10 0.00 0.08 0.00 0.00 59.36 59.32 3g17 h GLU 287 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3g17 h GLU 287 CO -0.04 0.90 -0.01 0.78 -2.18 0.00 0.00 179.01 178.47 3g17 h GLY 288 N 0.62 1.17 1.56 1.92 0.00 -1.18 -0.79 103.07 106.36 3g17 h GLY 288 Ca 0.11 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 3g17 h GLY 288 CO 0.04 0.79 -0.45 0.84 0.00 0.00 0.00 176.54 177.76 3g17 h HIS 289 N 0.98 0.58 -0.61 5.60 -0.00 -1.30 -3.20 115.15 117.20 3g17 h HIS 289 Ca 0.17 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3g17 h HIS 289 Cb 0.57 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 3g17 h HIS 289 CO 0.04 0.84 0.00 0.72 -0.00 0.00 0.00 177.93 179.53 3g17 n HIS 290 N -4.00 1.03 -2.04 5.26 8.25 -0.50 -5.02 115.22 118.20 3g17 n HIS 290 Ca -0.02 -0.55 -0.40 0.00 -0.26 0.00 0.00 57.72 56.49 3g17 n HIS 290 Cb 0.53 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.54 3g17 n HIS 290 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3g17 s HIS 291 N -1.35 2.81 -0.43 4.41 2.46 -0.31 -5.03 115.29 117.86 3g17 s HIS 291 Ca 0.44 1.40 0.03 0.00 0.47 0.00 0.00 55.06 57.41 3g17 s HIS 291 Cb 0.26 -3.68 0.03 0.00 -0.13 0.00 0.00 32.58 29.05 3g17 s HIS 291 CO 0.26 -2.12 0.61 0.72 -2.47 0.00 0.00 174.74 171.74