#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 6.45 -0.04 1.96 1.04 -1.26 -4.97 113.70 116.88 3g17 s SER 4 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3g17 s SER 4 Cb 0.00 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 64.09 3g17 s SER 4 CO 0.00 0.08 -0.01 -0.69 0.98 0.00 0.00 173.24 173.60 3g17 s VAL 5 N -1.63 0.27 0.02 5.02 1.01 -1.26 -1.29 120.40 122.56 3g17 s VAL 5 Ca 0.39 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3g17 s VAL 5 Cb -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3g17 s VAL 5 CO 0.26 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 175.30 3g17 s ALA 6 N 1.06 1.89 -0.14 5.51 0.00 -0.19 -1.24 121.76 128.66 3g17 s ALA 6 Ca -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3g17 s ALA 6 Cb -0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3g17 s ALA 6 CO -0.01 0.44 -0.15 0.42 0.00 0.00 0.00 175.76 176.45 3g17 s ILE 7 N -0.70 2.76 -0.14 0.00 1.09 0.11 -0.28 121.20 124.03 3g17 s ILE 7 Ca 0.09 -0.76 -0.03 0.00 -1.10 0.00 0.00 60.65 58.85 3g17 s ILE 7 Cb -0.09 -2.15 -0.03 0.00 -1.06 0.00 0.00 42.46 39.13 3g17 s ILE 7 CO 0.01 0.52 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.70 3g17 s ILE 8 N 0.55 3.87 0.00 2.92 1.01 0.42 0.55 121.20 130.52 3g17 s ILE 8 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3g17 s ILE 8 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3g17 s ILE 8 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3g17 n GLY 9 N 3.31 -0.02 1.98 6.18 0.00 -0.50 0.16 105.19 116.30 3g17 n GLY 9 Ca -0.18 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 1.83 -0.08 1.61 -0.04 -1.26 -3.98 135.00 133.09 3g17 n PRO 10 Ca 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 3g17 n PRO 10 Cb 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3g17 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g17 n GLY 11 N 2.44 0.09 0.11 0.55 0.00 -1.26 -4.66 105.19 102.46 3g17 n GLY 11 Ca 0.38 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.54 -0.19 -0.21 4.61 0.00 -1.88 0.14 119.26 120.19 3g17 h ALA 12 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g17 h ALA 12 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g17 h ALA 12 CO 0.00 -0.49 0.11 0.28 0.00 0.00 0.00 179.25 179.15 3g17 h VAL 13 N -0.42 1.12 -0.40 0.00 2.07 -1.89 -2.02 116.25 114.72 3g17 h VAL 13 Ca -0.02 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3g17 h VAL 13 Cb 0.33 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3g17 h VAL 13 CO 0.03 0.11 0.03 1.23 0.02 0.00 0.00 177.57 179.00 3g17 h GLY 14 N 0.23 0.73 1.25 2.17 0.00 -1.68 -1.54 103.07 104.23 3g17 h GLY 14 Ca 0.07 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 3g17 h GLY 14 CO -0.01 0.47 -0.39 -0.84 0.00 0.00 0.00 176.54 175.78 3g17 h THR 15 N 0.52 1.28 -0.12 4.70 2.02 -0.98 -1.37 112.91 118.95 3g17 h THR 15 Ca 0.12 -1.56 0.04 0.00 0.77 0.00 0.00 66.41 65.77 3g17 h THR 15 Cb 0.42 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 3g17 h THR 15 CO 0.01 0.51 -0.13 0.74 0.37 0.00 0.00 175.52 177.03 3g17 h THR 16 N 0.68 0.65 -0.47 3.16 2.02 -1.24 0.47 112.91 118.18 3g17 h THR 16 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3g17 h THR 16 Cb 0.95 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3g17 h THR 16 CO 0.09 0.00 0.26 0.40 0.37 0.00 0.00 175.52 176.64 3g17 h ILE 17 N -0.15 1.17 0.21 3.11 2.04 -1.24 -0.87 117.51 121.77 3g17 h ILE 17 Ca 0.09 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3g17 h ILE 17 Cb 0.28 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3g17 h ILE 17 CO -0.21 0.18 -0.10 0.00 0.00 0.00 0.00 178.15 178.01 3g17 h ALA 18 N 1.10 -0.29 -0.25 1.87 0.00 -1.05 -0.94 119.26 119.71 3g17 h ALA 18 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3g17 h ALA 18 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3g17 h ALA 18 CO -0.03 -0.62 -0.01 -0.92 0.00 0.00 0.00 179.25 177.68 3g17 h TYR 19 N -0.37 -0.03 -0.52 0.00 3.20 -0.77 -0.88 116.97 117.59 3g17 h TYR 19 Ca -0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3g17 h TYR 19 Cb 0.29 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3g17 h TYR 19 CO -0.04 -0.05 -0.01 0.93 -1.64 0.00 0.00 178.16 177.36 3g17 h GLU 20 N 0.07 0.89 -0.03 1.82 4.39 -1.04 -2.97 114.58 117.70 3g17 h GLU 20 Ca 0.12 -0.26 -0.18 0.00 0.34 0.00 0.00 59.36 59.38 3g17 h GLU 20 Cb 0.15 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3g17 h GLU 20 CO -0.20 0.89 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.68 3g17 h LEU 21 N 0.82 0.32 -2.22 1.33 3.38 -0.92 -3.24 115.31 114.78 3g17 h LEU 21 Ca 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3g17 h LEU 21 Cb 0.50 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3g17 h LEU 21 CO 0.02 0.98 -0.01 1.56 0.09 0.00 0.00 178.44 181.09 3g17 h GLN 22 N 0.17 0.00 0.04 1.13 4.20 -1.00 0.93 115.11 120.58 3g17 h GLN 22 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3g17 h GLN 22 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3g17 h GLN 22 CO 0.12 0.01 -0.02 1.96 -0.67 0.00 0.00 178.83 180.24 3g17 h GLN 23 N 0.00 -0.05 -0.00 1.46 1.08 -1.58 -3.00 115.11 113.02 3g17 h GLN 23 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g17 h GLN 23 Cb 0.26 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3g17 h GLN 23 CO 0.00 0.11 -0.85 -1.13 -0.95 0.00 0.00 178.83 176.01 3g17 n SER 24 N -5.04 1.22 -3.37 1.46 3.41 -1.20 -4.66 113.62 105.44 3g17 n SER 24 Ca -0.08 -1.09 -0.26 0.00 -0.26 0.00 0.00 58.87 57.18 3g17 n SER 24 Cb 0.11 0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 64.82 3g17 n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g17 n LEU 25 N -1.14 1.72 0.27 1.04 4.77 0.32 -5.01 117.00 118.96 3g17 n LEU 25 Ca 0.05 -4.99 0.18 0.00 -0.03 0.00 0.00 56.01 51.23 3g17 n LEU 25 Cb 0.36 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.35 3g17 n LEU 25 CO 0.39 2.01 1.04 1.55 -1.33 0.00 0.00 177.39 181.05 3g17 h PRO 26 N 4.40 0.00 0.00 3.23 0.13 -1.76 -1.45 132.00 136.55 3g17 h PRO 26 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3g17 h PRO 26 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3g17 h PRO 26 CO 0.62 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.11 3g17 n HIS 27 N -2.83 0.28 -1.64 1.56 8.25 -1.26 -4.85 115.22 114.73 3g17 n HIS 27 Ca -0.01 0.09 -0.51 0.00 -0.26 0.00 0.00 57.72 57.02 3g17 n HIS 27 Cb 0.14 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.55 3g17 n HIS 27 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3g17 n THR 28 N -1.73 0.12 -4.43 1.59 -1.04 -0.55 -4.77 114.28 103.47 3g17 n THR 28 Ca 0.06 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.71 3g17 n THR 28 Cb 0.33 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.52 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 1.52 3.37 -0.22 12.58 2.01 -0.37 -4.92 115.64 129.62 3g17 s THR 29 Ca 0.86 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 62.16 3g17 s THR 29 Cb -0.87 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3g17 s THR 29 CO 0.48 0.49 0.49 -0.22 -0.69 0.00 0.00 174.62 175.17 3g17 s LEU 30 N 0.66 4.12 -0.07 4.42 2.96 -1.26 0.04 118.68 129.55 3g17 s LEU 30 Ca -0.04 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3g17 s LEU 30 Cb -0.15 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3g17 s LEU 30 CO 0.02 -0.19 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.00 3g17 s ILE 31 N 1.76 2.20 0.12 6.68 1.01 0.19 -0.93 121.20 132.24 3g17 s ILE 31 Ca 0.22 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3g17 s ILE 31 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3g17 s ILE 31 CO 0.09 0.57 0.10 0.61 0.00 0.00 0.00 174.94 176.31 3g17 n GLY 32 N 3.07 3.63 0.27 6.18 0.00 0.15 -1.41 105.19 117.08 3g17 n GLY 32 Ca -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3g17 n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g17 h ARG 33 N 0.00 0.52 -4.16 1.61 0.11 -1.95 -2.21 114.38 108.31 3g17 h ARG 33 Ca -0.09 -0.10 -0.27 0.00 0.10 0.00 0.00 59.98 59.62 3g17 h ARG 33 Cb 0.44 -0.08 -0.26 0.00 1.11 0.00 0.00 29.97 31.18 3g17 h ARG 33 CO 0.13 0.54 -0.73 -1.01 0.10 0.00 0.00 179.97 178.99 3g17 s HIS 34 N -5.01 0.35 0.28 4.08 3.76 -1.26 -3.71 115.29 113.78 3g17 s HIS 34 Ca -0.08 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 3g17 s HIS 34 Cb 0.16 -0.22 -0.12 0.00 1.11 0.00 0.00 32.58 33.50 3g17 s HIS 34 CO 0.76 -0.04 1.51 0.00 -0.85 0.00 0.00 174.74 176.12 3g17 n ALA 35 N 2.54 1.95 -3.02 -1.40 0.00 -1.26 -4.20 120.51 115.11 3g17 n ALA 35 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3g17 n ALA 35 Cb 0.58 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3g17 n ALA 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3g17 n LYS 36 N 1.99 0.01 -5.08 0.00 -0.00 -0.67 -4.92 118.16 109.49 3g17 n LYS 36 Ca 0.09 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.07 3g17 n LYS 36 Cb 0.35 0.04 -0.17 0.00 -0.00 0.00 0.00 35.03 35.24 3g17 n LYS 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3g17 s THR 37 N -2.25 1.95 0.10 0.58 2.01 -1.26 -0.64 115.64 116.13 3g17 s THR 37 Ca 0.01 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.11 3g17 s THR 37 Cb -0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3g17 s THR 37 CO 0.00 0.53 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 3g17 s ILE 38 N 0.44 3.88 -0.17 1.82 1.01 0.53 -4.95 121.20 123.76 3g17 s ILE 38 Ca -0.17 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 3g17 s ILE 38 Cb -0.17 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 3g17 s ILE 38 CO 0.07 0.11 0.22 -0.89 0.00 0.00 0.00 174.94 174.45 3g17 s THR 39 N -1.30 5.35 -0.08 2.92 2.01 -0.06 -0.41 115.64 124.07 3g17 s THR 39 Ca 0.25 0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.69 3g17 s THR 39 Cb -0.11 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 3g17 s THR 39 CO 0.17 0.43 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.83 3g17 s TYR 40 N 0.27 2.38 -0.22 4.92 5.04 0.11 0.38 117.35 130.23 3g17 s TYR 40 Ca 0.13 -0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 53.90 3g17 s TYR 40 Cb -0.12 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.62 3g17 s TYR 40 CO 0.02 -0.31 -0.10 0.71 -1.34 0.00 0.00 175.55 174.52 3g17 s TYR 41 N 0.14 2.96 0.53 4.97 1.51 0.16 -1.38 117.35 126.24 3g17 s TYR 41 Ca -0.11 -1.47 0.28 0.00 -1.01 0.00 0.00 57.07 54.76 3g17 s TYR 41 Cb -0.16 -2.02 1.44 0.00 -0.11 0.00 0.00 41.96 41.11 3g17 s TYR 41 CO 0.06 -0.72 1.95 1.79 -1.11 0.00 0.00 175.55 177.52 3g17 h THR 42 N 6.00 0.66 -2.59 -0.71 1.35 -1.87 -0.27 112.91 115.48 3g17 h THR 42 Ca -0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 3g17 h THR 42 Cb 1.13 0.66 -0.15 0.00 -1.73 0.00 0.00 68.15 68.06 3g17 h THR 42 CO 0.60 0.00 0.24 0.54 -0.25 0.00 0.00 175.52 176.64 3g17 s VAL 43 N -5.00 0.00 0.27 6.82 0.11 -1.25 -4.41 120.40 116.95 3g17 s VAL 43 Ca -0.05 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 3g17 s VAL 43 Cb 0.20 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.92 3g17 s VAL 43 CO 0.75 0.00 1.39 -2.65 -3.33 0.00 0.00 175.10 171.25 3g17 n PRO 44 N 0.07 2.10 -0.90 1.54 -0.02 -1.25 -2.34 135.00 134.20 3g17 n PRO 44 Ca -0.17 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3g17 n PRO 44 Cb 0.62 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.50 0.00 -1.34 6.00 8.25 -1.26 -5.03 115.22 123.34 3g17 n HIS 45 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 3g17 n HIS 45 Cb 0.33 -0.38 0.10 0.00 1.12 0.00 0.00 29.99 31.16 3g17 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g17 s ALA 46 N -3.04 2.11 0.30 -1.41 0.00 -0.99 -4.97 121.76 113.76 3g17 s ALA 46 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 3g17 s ALA 46 Cb 0.00 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 3g17 s ALA 46 CO 0.00 -1.85 1.49 -2.14 0.00 0.00 0.00 175.76 173.27 3g17 s PRO 47 N -4.98 4.19 0.53 0.00 0.02 -1.26 -4.93 135.00 128.56 3g17 s PRO 47 Ca 0.61 2.45 -0.23 0.00 0.02 0.00 0.00 61.00 63.86 3g17 s PRO 47 Cb -0.16 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.25 3g17 s PRO 47 CO 0.56 -0.50 1.38 0.00 -0.33 0.00 0.00 177.00 178.11 3g17 n ALA 48 N 1.76 1.72 -2.96 -1.55 0.00 -1.26 -4.76 120.51 113.46 3g17 n ALA 48 Ca 0.05 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 3g17 n ALA 48 Cb 0.39 -2.37 -0.15 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 -2.79 0.87 0.15 0.00 -0.21 -0.48 -4.98 119.66 112.22 3g17 s GLN 49 Ca 0.69 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 55.48 3g17 s GLN 49 Cb -0.42 -0.83 -0.07 0.00 1.00 0.00 0.00 33.01 32.69 3g17 s GLN 49 CO 0.51 0.12 1.01 -0.51 -2.12 0.00 0.00 175.29 174.30 3g17 s ASP 50 N 0.12 7.43 -0.04 5.90 1.01 -1.26 0.04 116.67 129.88 3g17 s ASP 50 Ca -0.02 1.91 0.02 0.00 0.71 0.00 0.00 52.55 55.17 3g17 s ASP 50 Cb -0.07 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.27 3g17 s ASP 50 CO 0.00 -0.10 -0.09 -0.51 0.21 0.00 0.00 175.17 174.68 3g17 s ILE 51 N -0.19 0.84 0.21 0.77 2.07 0.45 -4.92 121.20 120.43 3g17 s ILE 51 Ca 0.47 -0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 3g17 s ILE 51 Cb -0.26 -0.76 -0.09 0.00 0.13 0.00 0.00 42.46 41.49 3g17 s ILE 51 CO 0.32 0.27 0.89 -0.69 -1.91 0.00 0.00 174.94 173.82 3g17 s VAL 52 N 0.40 4.18 -0.09 4.00 1.01 -1.26 -0.35 120.40 128.30 3g17 s VAL 52 Ca -0.07 1.98 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3g17 s VAL 52 Cb -0.11 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3g17 s VAL 52 CO 0.01 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 3g17 s VAL 53 N -1.10 2.42 -0.14 2.92 1.01 0.19 -4.56 120.40 121.14 3g17 s VAL 53 Ca 0.40 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3g17 s VAL 53 Cb -0.25 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3g17 s VAL 53 CO 0.30 0.56 -0.03 -0.75 0.00 0.00 0.00 175.10 175.18 3g17 s LYS 54 N 0.06 3.56 0.58 2.72 2.20 -0.11 -1.67 119.74 127.07 3g17 s LYS 54 Ca -0.08 -0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 54.90 3g17 s LYS 54 Cb -0.15 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 3g17 s LYS 54 CO 0.05 0.32 1.01 0.20 -0.36 0.00 0.00 175.35 176.57 3g17 s GLY 55 N 0.15 1.82 0.28 5.54 0.00 -1.26 -0.68 107.32 113.17 3g17 s GLY 55 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.72 3g17 s GLY 55 CO 0.03 0.28 1.66 -0.97 0.00 0.00 0.00 173.10 174.09 3g17 h TYR 56 N 0.18 0.36 0.00 1.90 0.05 -1.47 -0.75 116.97 117.23 3g17 h TYR 56 Ca -0.45 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 3g17 h TYR 56 Cb 1.19 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.90 3g17 h TYR 56 CO 0.65 -0.17 -0.06 1.49 -1.05 0.00 0.00 178.16 179.03 3g17 h GLU 57 N 0.24 0.00 0.00 4.88 4.81 -1.90 -2.91 114.58 119.71 3g17 h GLU 57 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 3g17 h GLU 57 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3g17 h GLU 57 CO -0.61 0.06 -0.42 -0.44 -0.73 0.00 0.00 179.01 176.86 3g17 h ASP 58 N 0.00 0.00 -3.35 1.04 3.32 -1.50 -3.45 116.42 112.48 3g17 h ASP 58 Ca -0.00 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 3g17 h ASP 58 Cb 0.13 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 3g17 h ASP 58 CO 0.01 0.01 -0.09 -0.69 -1.72 0.00 0.00 179.24 176.75 3g17 s VAL 59 N -3.26 5.16 -0.07 -1.35 1.01 -1.10 -4.94 120.40 115.85 3g17 s VAL 59 Ca 0.04 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.15 3g17 s VAL 59 Cb 0.08 -3.85 0.15 0.00 0.00 0.00 0.00 36.38 32.76 3g17 s VAL 59 CO 0.71 0.29 1.08 0.35 0.00 0.00 0.00 175.10 177.53 3g17 n THR 60 N 3.81 0.96 -4.41 3.92 -2.24 -1.26 -5.04 114.28 110.02 3g17 n THR 60 Ca -0.06 -1.16 -0.20 0.00 -2.27 0.00 0.00 64.05 60.36 3g17 n THR 60 Cb 0.51 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.96 2.46 0.39 3.42 4.22 -1.26 -5.16 114.94 117.06 3g17 s ASN 61 Ca 0.16 -1.23 0.08 0.00 -2.14 0.00 0.00 52.86 49.73 3g17 s ASN 61 Cb 0.14 -0.11 -0.02 0.00 1.28 0.00 0.00 41.25 42.55 3g17 s ASN 61 CO 0.01 -0.43 0.40 0.42 -2.04 0.00 0.00 177.10 175.47 3g17 s THR 62 N -3.16 3.02 0.02 0.54 -4.23 -1.26 -4.68 115.64 105.89 3g17 s THR 62 Ca 0.30 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 3g17 s THR 62 Cb 0.05 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 3g17 s THR 62 CO 0.12 -0.05 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.63 3g17 s PHE 63 N -2.39 1.34 0.23 3.99 0.08 -0.06 -4.97 117.98 116.20 3g17 s PHE 63 Ca 0.48 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 3g17 s PHE 63 Cb -0.06 -0.82 0.23 0.00 -0.57 0.00 0.00 43.02 41.80 3g17 s PHE 63 CO 0.29 0.03 1.58 -0.44 -0.10 0.00 0.00 175.22 176.58 3g17 h ASP 64 N 5.18 0.53 -3.45 1.36 3.32 -1.85 -3.38 116.42 118.13 3g17 h ASP 64 Ca -0.38 -0.25 -0.50 0.00 0.02 0.00 0.00 57.03 55.92 3g17 h ASP 64 Cb 1.17 -0.15 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 3g17 h ASP 64 CO 0.45 0.91 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.38 3g17 s VAL 65 N -4.14 1.07 -0.14 -1.35 1.01 -0.41 0.12 120.40 116.56 3g17 s VAL 65 Ca -0.07 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3g17 s VAL 65 Cb 0.12 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3g17 s VAL 65 CO 0.82 0.34 -0.09 -0.63 0.00 0.00 0.00 175.10 175.54 3g17 s ILE 66 N 0.65 1.26 -0.27 2.22 1.01 0.23 -1.02 121.20 125.28 3g17 s ILE 66 Ca -0.14 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 3g17 s ILE 66 Cb -0.15 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3g17 s ILE 66 CO 0.03 0.34 0.17 -0.63 0.00 0.00 0.00 174.94 174.84 3g17 s ILE 67 N 1.60 5.12 -0.27 2.92 1.01 0.61 -0.97 121.20 131.23 3g17 s ILE 67 Ca 0.04 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 3g17 s ILE 67 Cb -0.13 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3g17 s ILE 67 CO -0.09 0.27 0.49 -0.63 0.00 0.00 0.00 174.94 174.98 3g17 s ILE 68 N 1.71 5.08 -0.24 2.92 1.01 0.30 -0.44 121.20 131.55 3g17 s ILE 68 Ca 0.07 0.79 0.12 0.00 0.00 0.00 0.00 60.65 61.63 3g17 s ILE 68 Cb -0.16 -3.82 0.45 0.00 0.01 0.00 0.00 42.46 38.95 3g17 s ILE 68 CO 0.09 0.07 1.18 0.00 0.00 0.00 0.00 174.94 176.29 3g17 n ALA 69 N 5.53 4.02 -1.95 9.38 0.00 0.12 -0.80 120.51 136.80 3g17 n ALA 69 Ca -0.05 -3.36 -0.26 0.00 0.00 0.00 0.00 53.44 49.77 3g17 n ALA 69 Cb 0.50 -0.46 0.12 0.00 0.00 0.00 0.00 19.45 19.61 3g17 n ALA 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3g17 s VAL 70 N -3.69 2.13 0.63 0.00 -7.23 -1.25 -4.55 120.40 106.45 3g17 s VAL 70 Ca 0.42 -0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 3g17 s VAL 70 Cb 0.38 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 3g17 s VAL 70 CO -0.02 0.00 1.24 -0.54 -0.31 0.00 0.00 175.10 175.47 3g17 s LYS 71 N -5.42 2.72 0.26 4.82 -0.14 -1.26 -4.82 119.74 115.90 3g17 s LYS 71 Ca 0.67 1.91 -0.10 0.00 -1.36 0.00 0.00 55.97 57.09 3g17 s LYS 71 Cb -0.06 -1.89 0.40 0.00 -1.68 0.00 0.00 37.83 34.60 3g17 s LYS 71 CO 0.47 -1.42 1.57 1.15 -0.76 0.00 0.00 175.35 176.36 3g17 h THR 72 N 0.63 0.08 0.00 2.17 2.02 -1.94 -0.14 112.91 115.73 3g17 h THR 72 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3g17 h THR 72 Cb 1.31 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3g17 h THR 72 CO 0.54 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.43 3g17 n HIS 73 N -5.58 0.00 0.95 3.16 1.44 -1.26 -3.08 115.22 110.85 3g17 n HIS 73 Ca 0.14 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.95 3g17 n HIS 73 Cb 0.46 -0.12 -0.00 0.00 0.12 0.00 0.00 29.99 30.45 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 -1.12 1.32 0.06 -1.40 6.02 -0.07 -4.65 117.38 117.55 3g17 n GLN 74 Ca 0.14 -1.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.01 3g17 n GLN 74 Cb 0.12 -1.44 -0.05 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 2.41 -1.01 -1.88 1.08 5.85 -1.51 -2.32 115.31 117.94 3g17 h LEU 75 Ca 0.00 0.13 0.17 0.00 0.84 0.00 0.00 57.88 59.02 3g17 h LEU 75 Cb 0.73 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3g17 h LEU 75 CO 0.00 -0.40 0.46 0.44 -0.34 0.00 0.00 178.44 178.61 3g17 h ASP 76 N -0.49 0.11 0.86 1.25 3.32 -1.85 0.52 116.42 120.14 3g17 h ASP 76 Ca 0.06 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3g17 h ASP 76 Cb 0.57 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3g17 h ASP 76 CO -0.27 0.05 -0.40 0.00 -1.72 0.00 0.00 179.24 176.90 3g17 h ALA 77 N 1.68 0.97 0.19 3.45 0.00 -1.74 -3.20 119.26 120.61 3g17 h ALA 77 Ca 0.32 -0.36 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 3g17 h ALA 77 Cb 1.10 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3g17 h ALA 77 CO -0.04 0.50 -1.64 0.28 0.00 0.00 0.00 179.25 178.35 3g17 h VAL 78 N 0.00 1.07 -0.69 0.00 2.07 0.20 -3.41 116.25 115.49 3g17 h VAL 78 Ca -0.00 -2.62 0.14 0.00 0.82 0.00 0.00 66.70 65.03 3g17 h VAL 78 Cb 0.94 2.83 -0.13 0.00 -1.52 0.00 0.00 31.29 33.41 3g17 h VAL 78 CO 0.05 0.84 -0.19 0.40 0.02 0.00 0.00 177.57 178.70 3g17 h ILE 79 N 0.11 0.29 -0.95 4.57 2.04 -1.04 0.12 117.51 122.65 3g17 h ILE 79 Ca -0.30 0.00 0.28 0.00 1.00 0.00 0.00 64.86 65.84 3g17 h ILE 79 Cb 2.10 0.29 -0.15 0.00 -0.74 0.00 0.00 36.82 38.32 3g17 h ILE 79 CO 0.20 0.00 0.41 -0.65 0.00 0.00 0.00 178.15 178.11 3g17 h PRO 80 N -0.01 0.26 0.00 2.37 0.11 -1.79 -2.00 132.00 130.93 3g17 h PRO 80 Ca 0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3g17 h PRO 80 Cb 0.51 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3g17 h PRO 80 CO -0.72 0.17 -0.05 0.45 -0.21 0.00 0.00 178.00 177.64 3g17 h HIS 81 N 0.26 0.00 0.00 0.65 3.86 -1.23 -2.97 115.15 115.72 3g17 h HIS 81 Ca 0.65 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.85 3g17 h HIS 81 Cb 1.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.89 3g17 h HIS 81 CO -0.13 0.05 -0.07 -0.07 0.86 0.00 0.00 177.93 178.57 3g17 h LEU 82 N 0.00 0.00 -1.22 2.43 3.38 -1.41 -1.74 115.31 116.76 3g17 h LEU 82 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3g17 h LEU 82 Cb 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3g17 h LEU 82 CO 0.01 0.07 0.57 0.74 0.09 0.00 0.00 178.44 179.92 3g17 h THR 83 N 0.00 0.95 0.00 0.22 2.02 -1.68 0.88 112.91 115.31 3g17 h THR 83 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3g17 h THR 83 Cb 0.24 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3g17 h THR 83 CO 0.01 0.16 -1.71 -1.22 0.37 0.00 0.00 175.52 173.12 3g17 n TYR 84 N -4.53 0.22 -0.02 3.16 4.01 -0.71 -4.39 117.16 114.90 3g17 n TYR 84 Ca 0.15 0.06 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 3g17 n TYR 84 Cb 0.33 -0.58 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.31 0.20 -4.64 7.72 4.77 -0.88 -4.56 117.00 117.30 3g17 n LEU 85 Ca -0.03 0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 3g17 n LEU 85 Cb 0.55 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 3g17 n LEU 85 CO 0.44 0.16 -0.35 0.00 -1.33 0.00 0.00 177.39 176.32 3g17 s ALA 86 N -3.10 3.15 0.52 -1.18 0.00 0.27 -0.89 121.76 120.53 3g17 s ALA 86 Ca -0.07 -1.43 0.07 0.00 0.00 0.00 0.00 51.96 50.53 3g17 s ALA 86 Cb 0.10 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.35 3g17 s ALA 86 CO 0.86 0.44 0.52 -3.38 0.00 0.00 0.00 175.76 174.20 3g17 s HIS 87 N -1.82 1.86 0.35 0.00 -3.43 -1.26 -4.81 115.29 106.18 3g17 s HIS 87 Ca 0.28 -0.71 0.09 0.00 -0.80 0.00 0.00 55.06 53.91 3g17 s HIS 87 Cb -0.09 -2.08 0.82 0.00 -1.43 0.00 0.00 32.58 29.80 3g17 s HIS 87 CO 0.18 -0.59 1.86 1.49 -2.00 0.00 0.00 174.74 175.68 3g17 h GLU 88 N 0.64 0.67 -0.02 -0.38 4.81 -1.98 -2.31 114.58 116.02 3g17 h GLU 88 Ca -0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3g17 h GLU 88 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3g17 h GLU 88 CO 0.52 0.45 -0.18 -0.25 -0.73 0.00 0.00 179.01 178.82 3g17 n ASP 89 N -4.58 2.39 -4.60 1.04 8.00 -1.26 -4.36 116.55 113.19 3g17 n ASP 89 Ca 0.18 -1.72 -0.51 0.00 0.71 0.00 0.00 54.79 53.46 3g17 n ASP 89 Cb 0.49 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.64 0.25 -2.38 -3.53 -1.04 -0.87 -4.83 114.28 102.53 3g17 n THR 90 Ca 0.13 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 3g17 n THR 90 Cb 0.51 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.55 4.24 -0.29 -4.42 2.96 0.12 -4.37 118.68 117.47 3g17 s LEU 91 Ca 0.81 1.82 -0.05 0.00 -0.22 0.00 0.00 54.13 56.49 3g17 s LEU 91 Cb -0.90 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.26 3g17 s LEU 91 CO 0.48 -0.71 0.04 -0.63 -1.32 0.00 0.00 176.35 174.21 3g17 s ILE 92 N 2.98 3.62 -0.23 6.68 1.01 0.01 -0.60 121.20 134.68 3g17 s ILE 92 Ca 0.58 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3g17 s ILE 92 Cb -0.25 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3g17 s ILE 92 CO 0.20 0.07 0.02 -0.63 0.00 0.00 0.00 174.94 174.60 3g17 s ILE 93 N 1.43 3.97 -0.67 2.92 1.01 -0.14 -0.67 121.20 129.05 3g17 s ILE 93 Ca 0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 3g17 s ILE 93 Cb -0.17 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.53 3g17 s ILE 93 CO 0.01 0.39 1.02 -0.76 0.00 0.00 0.00 174.94 175.59 3g17 s LEU 94 N 1.40 4.14 -1.29 2.97 1.43 -0.16 -0.54 118.68 126.63 3g17 s LEU 94 Ca 0.05 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 3g17 s LEU 94 Cb -0.15 -2.47 0.16 0.00 0.03 0.00 0.00 46.19 43.76 3g17 s LEU 94 CO 0.01 -1.50 1.88 0.00 0.23 0.00 0.00 176.35 176.97 3g17 n ALA 95 N 8.00 5.32 -2.25 4.21 0.00 0.02 -0.38 120.51 135.42 3g17 n ALA 95 Ca -0.02 -4.28 -0.08 0.00 0.00 0.00 0.00 53.44 49.05 3g17 n ALA 95 Cb 0.46 -3.02 -0.10 0.00 0.00 0.00 0.00 19.45 16.79 3g17 n ALA 95 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g17 s GLN 96 N 0.62 0.62 0.69 0.00 -0.21 -1.26 -4.45 119.66 115.67 3g17 s GLN 96 Ca 0.40 -1.15 -0.14 0.00 0.02 0.00 0.00 55.36 54.49 3g17 s GLN 96 Cb 0.09 0.08 0.02 0.00 1.00 0.00 0.00 33.01 34.20 3g17 s GLN 96 CO -0.00 -0.07 1.12 -0.80 -2.12 0.00 0.00 175.29 173.42 3g17 s ASN 97 N -2.71 4.83 0.58 5.90 0.01 -1.26 -4.60 114.94 117.69 3g17 s ASN 97 Ca 0.05 2.04 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 3g17 s ASN 97 Cb 0.04 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3g17 s ASN 97 CO -0.07 -1.82 0.00 0.61 -1.51 0.00 0.00 177.10 174.31 3g17 n GLY 98 N -0.45 0.86 2.79 0.66 0.00 -1.26 -4.56 105.19 103.23 3g17 n GLY 98 Ca 0.11 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 3g17 n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g17 s TYR 99 N 0.00 1.56 0.00 1.61 5.04 -1.01 -4.95 117.35 119.60 3g17 s TYR 99 Ca 0.00 -1.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.31 3g17 s TYR 99 Cb 0.00 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.96 3g17 s TYR 99 CO 0.00 -0.72 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 3g17 n GLY 100 N 4.90 -0.87 2.55 8.97 0.00 -1.26 -4.69 105.19 114.79 3g17 n GLY 100 Ca -0.08 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3g17 n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g17 n GLN 101 N -0.84 3.73 -0.21 1.61 6.02 -1.26 -4.73 117.38 121.70 3g17 n GLN 101 Ca 0.00 -2.86 0.16 0.00 -0.01 0.00 0.00 57.00 54.29 3g17 n GLN 101 Cb 0.00 -2.89 0.48 0.00 1.02 0.00 0.00 30.24 28.85 3g17 n GLN 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3g17 h LEU 102 N 7.45 0.45 -2.27 1.08 4.07 -1.98 0.10 115.31 124.22 3g17 h LEU 102 Ca 0.68 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.66 3g17 h LEU 102 Cb 0.43 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 3g17 h LEU 102 CO 1.70 0.21 -0.05 -0.33 -1.08 0.00 0.00 178.44 178.90 3g17 h GLU 103 N 0.47 0.00 0.00 1.13 3.07 -2.01 -1.71 114.58 115.52 3g17 h GLU 103 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3g17 h GLU 103 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3g17 h GLU 103 CO -0.16 0.05 0.00 0.72 -1.40 0.00 0.00 179.01 178.22 3g17 n HIS 104 N -3.68 0.00 -3.41 4.33 8.25 0.35 -4.68 115.22 116.38 3g17 n HIS 104 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 3g17 n HIS 104 Cb 0.15 -0.39 -0.09 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.78 5.20 -1.46 1.59 1.01 -0.65 -5.00 121.20 119.11 3g17 s ILE 105 Ca 0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 3g17 s ILE 105 Cb 0.13 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.65 3g17 s ILE 105 CO 0.33 -0.38 2.51 -0.81 0.00 0.00 0.00 174.94 176.60 3g17 n PRO 106 N 5.31 3.83 -3.72 2.79 -0.04 -1.26 -4.81 135.00 137.09 3g17 n PRO 106 Ca -0.10 -2.84 -0.13 0.00 -0.04 0.00 0.00 63.50 60.38 3g17 n PRO 106 Cb 0.47 -2.85 -0.08 0.00 -0.04 0.00 0.00 33.50 31.00 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 1.07 -0.23 -0.07 0.54 0.08 -1.26 -5.09 117.98 113.01 3g17 s PHE 107 Ca 0.57 0.29 -0.23 0.00 0.12 0.00 0.00 56.93 57.68 3g17 s PHE 107 Cb 0.16 0.15 -0.30 0.00 -0.57 0.00 0.00 43.02 42.46 3g17 s PHE 107 CO -0.07 -0.46 0.83 -0.22 -0.10 0.00 0.00 175.22 175.21 3g17 h LYS 108 N 3.52 0.23 -4.40 0.44 3.64 -1.88 -3.41 116.57 114.71 3g17 h LYS 108 Ca -0.30 -0.39 -0.74 0.00 -1.27 0.00 0.00 60.65 57.95 3g17 h LYS 108 Cb 1.18 0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 32.93 3g17 h LYS 108 CO 0.42 1.19 0.51 -0.80 -2.27 0.00 0.00 179.45 178.49 3g17 s ASN 109 N -6.81 6.74 -0.09 4.20 0.01 -1.26 -4.99 114.94 112.74 3g17 s ASN 109 Ca -0.15 -2.45 -0.01 0.00 -0.71 0.00 0.00 52.86 49.54 3g17 s ASN 109 Cb 0.00 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.38 3g17 s ASN 109 CO 0.79 -0.79 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.86 3g17 s VAL 110 N 1.31 0.72 -0.10 1.60 1.01 -1.26 -0.81 120.40 122.87 3g17 s VAL 110 Ca 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3g17 s VAL 110 Cb -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3g17 s VAL 110 CO -0.09 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.19 3g17 s GLN 112 N 0.96 4.27 0.23 0.00 2.00 -1.26 -0.99 119.66 124.88 3g17 s GLN 112 Ca -0.08 2.09 -0.03 0.00 -2.00 0.00 0.00 55.36 55.34 3g17 s GLN 112 Cb -0.15 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 3g17 s GLN 112 CO -0.01 -0.57 0.45 0.00 -0.50 0.00 0.00 175.29 174.67 3g17 s ALA 113 N 2.03 3.74 -0.33 1.58 0.00 0.49 -4.52 121.76 124.75 3g17 s ALA 113 Ca 0.66 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 3g17 s ALA 113 Cb -0.35 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 3g17 s ALA 113 CO 0.29 0.39 0.20 0.08 0.00 0.00 0.00 175.76 176.72 3g17 s VAL 114 N -1.92 4.99 -0.36 0.00 1.01 0.59 -4.44 120.40 120.26 3g17 s VAL 114 Ca 0.41 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3g17 s VAL 114 Cb -0.11 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 3g17 s VAL 114 CO 0.29 0.03 0.47 -0.69 0.00 0.00 0.00 175.10 175.19 3g17 s VAL 115 N 1.68 5.06 -0.72 2.92 1.01 -1.26 -1.16 120.40 127.93 3g17 s VAL 115 Ca 0.05 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3g17 s VAL 115 Cb -0.17 -3.94 0.18 0.00 0.00 0.00 0.00 36.38 32.45 3g17 s VAL 115 CO 0.09 -0.21 0.53 -0.31 0.00 0.00 0.00 175.10 175.20 3g17 s TYR 116 N 2.27 3.58 -0.22 5.22 2.02 0.81 -5.00 117.35 126.03 3g17 s TYR 116 Ca 0.16 -3.10 -0.05 0.00 -0.37 0.00 0.00 57.07 53.71 3g17 s TYR 116 Cb -0.16 -2.99 0.11 0.00 -0.40 0.00 0.00 41.96 38.52 3g17 s TYR 116 CO 0.13 -0.69 0.42 0.42 -1.57 0.00 0.00 175.55 174.25 3g17 s ILE 117 N -0.97 -0.66 -0.05 2.71 1.01 -1.26 -1.46 121.20 120.53 3g17 s ILE 117 Ca 0.23 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.98 3g17 s ILE 117 Cb -0.12 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3g17 s ILE 117 CO -0.10 -0.00 -0.12 -0.94 0.00 0.00 0.00 174.94 173.78 3g17 s SER 118 N 2.61 4.20 0.00 3.58 1.04 0.54 -4.86 113.70 120.81 3g17 s SER 118 Ca 0.04 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3g17 s SER 118 Cb -0.13 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.05 3g17 s SER 118 CO -0.14 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.04 3g17 n GLY 119 N 2.26 -1.52 2.98 7.32 0.00 -1.26 0.17 105.19 115.13 3g17 n GLY 119 Ca -0.17 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.67 0.33 -0.13 1.61 -2.07 0.04 -4.92 119.66 112.85 3g17 s GLN 120 Ca 0.00 -0.48 -0.02 0.00 -1.82 0.00 0.00 55.36 53.04 3g17 s GLN 120 Cb 0.00 -0.10 -0.03 0.00 -1.09 0.00 0.00 33.01 31.80 3g17 s GLN 120 CO 0.00 0.01 -0.06 0.21 -1.32 0.00 0.00 175.29 174.13 3g17 s LYS 121 N -1.04 3.38 -0.17 9.60 2.20 -1.26 -0.18 119.74 132.27 3g17 s LYS 121 Ca -0.09 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3g17 s LYS 121 Cb -0.07 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.52 3g17 s LYS 121 CO -0.00 0.36 0.04 0.15 -0.36 0.00 0.00 175.35 175.54 3g17 s LYS 122 N 0.02 0.52 5.88 4.03 3.01 0.27 -5.00 119.74 128.47 3g17 s LYS 122 Ca -0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 55.97 54.68 3g17 s LYS 122 Cb -0.14 -1.89 0.00 0.00 -1.01 0.00 0.00 37.83 34.80 3g17 s LYS 122 CO 0.03 -0.60 0.00 0.41 0.51 0.00 0.00 175.35 175.70 3g17 n GLY 123 N 5.11 2.88 1.29 -3.33 0.00 -1.26 -1.50 105.19 108.38 3g17 n GLY 123 Ca -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 0.98 3.10 -4.03 1.61 8.00 -1.26 -4.83 116.55 120.11 3g17 n ASP 124 Ca 0.00 -2.44 -0.31 0.00 0.71 0.00 0.00 54.79 52.75 3g17 n ASP 124 Cb 0.00 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 3g17 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g17 s VAL 125 N -1.06 1.75 -0.17 2.53 1.01 -0.56 -0.88 120.40 123.03 3g17 s VAL 125 Ca 0.17 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3g17 s VAL 125 Cb 0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3g17 s VAL 125 CO 0.03 0.30 -0.01 -0.69 0.00 0.00 0.00 175.10 174.74 3g17 s VAL 126 N 1.37 4.10 -0.21 2.92 1.01 0.16 -0.56 120.40 129.19 3g17 s VAL 126 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3g17 s VAL 126 Cb -0.15 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3g17 s VAL 126 CO -0.10 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.46 3g17 s THR 127 N 0.44 2.46 0.27 3.92 2.01 0.75 -0.67 115.64 124.82 3g17 s THR 127 Ca -0.02 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.85 3g17 s THR 127 Cb -0.14 -2.13 -0.09 0.00 0.01 0.00 0.00 72.50 70.15 3g17 s THR 127 CO 0.02 0.40 0.76 -2.28 -0.69 0.00 0.00 174.62 172.83 3g17 s HIS 128 N 1.31 3.54 -0.06 4.92 2.46 -0.11 -0.78 115.29 126.57 3g17 s HIS 128 Ca 0.03 1.37 -0.10 0.00 0.47 0.00 0.00 55.06 56.84 3g17 s HIS 128 Cb -0.15 -2.63 -0.03 0.00 -0.13 0.00 0.00 32.58 29.64 3g17 s HIS 128 CO -0.09 0.22 -0.19 1.19 -2.47 0.00 0.00 174.74 173.40 3g17 n PHE 129 N 0.28 0.00 -3.68 3.88 3.72 0.13 -3.76 117.46 118.04 3g17 n PHE 129 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3g17 n PHE 129 Cb 0.52 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 3g17 n PHE 129 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3g17 s ARG 130 N -2.42 0.71 0.00 -1.08 0.52 -1.14 -4.92 118.95 110.61 3g17 s ARG 130 Ca -0.16 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 3g17 s ARG 130 Cb 0.02 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.83 3g17 s ARG 130 CO 0.24 -0.15 0.00 -0.25 0.02 0.00 0.00 175.30 175.16 3g17 n ASP 131 N 2.07 0.00 -1.20 0.23 8.00 -1.26 -0.34 116.55 124.05 3g17 n ASP 131 Ca -0.16 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.33 3g17 n ASP 131 Cb 0.56 0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 42.30 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 -1.23 0.00 -4.20 1.24 4.01 -1.06 -4.24 117.16 111.67 3g17 n TYR 132 Ca 0.00 -0.44 -0.34 0.00 -0.16 0.00 0.00 57.90 56.96 3g17 n TYR 132 Cb 0.00 0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 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 3.75 -0.22 -0.72 0.74 -0.53 -0.96 119.66 121.72 3g17 s GLN 133 Ca 0.18 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 3g17 s GLN 133 Cb 0.21 -3.05 0.02 0.00 1.10 0.00 0.00 33.01 31.28 3g17 s GLN 133 CO -0.09 0.31 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.34 3g17 s LEU 134 N 0.22 2.72 -0.13 3.68 1.43 0.10 -0.13 118.68 126.57 3g17 s LEU 134 Ca 0.01 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 3g17 s LEU 134 Cb -0.13 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3g17 s LEU 134 CO 0.01 -0.06 0.32 -0.13 0.23 0.00 0.00 176.35 176.73 3g17 s ARG 135 N 1.33 4.15 0.04 1.70 0.52 -0.31 -0.46 118.95 125.93 3g17 s ARG 135 Ca 0.03 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.38 3g17 s ARG 135 Cb -0.15 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 3g17 s ARG 135 CO -0.08 0.34 0.03 0.42 0.02 0.00 0.00 175.30 176.03 3g17 s ILE 136 N 0.13 0.16 0.15 1.52 1.01 0.64 -0.30 121.20 124.51 3g17 s ILE 136 Ca 0.19 -1.31 -0.33 0.00 0.00 0.00 0.00 60.65 59.19 3g17 s ILE 136 Cb -0.14 -1.00 -0.13 0.00 0.01 0.00 0.00 42.46 41.20 3g17 s ILE 136 CO 0.06 -0.72 1.64 1.67 0.00 0.00 0.00 174.94 177.59 3g17 n GLN 137 N 0.67 2.31 -2.21 2.79 -0.06 -1.26 -0.54 117.38 119.08 3g17 n GLN 137 Ca -0.18 0.83 -0.43 0.00 -2.00 0.00 0.00 57.00 55.23 3g17 n GLN 137 Cb 0.59 -2.63 -0.02 0.00 -4.06 0.00 0.00 30.24 24.11 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 1.25 6.69 0.32 1.69 2.15 0.10 -4.72 116.67 124.17 3g17 s ASP 138 Ca 0.79 1.81 -0.10 0.00 0.43 0.00 0.00 52.55 55.48 3g17 s ASP 138 Cb -0.64 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.46 3g17 s ASP 138 CO 0.38 -0.96 0.57 0.54 -0.17 0.00 0.00 175.17 175.52 3g17 s ASN 139 N 3.04 0.33 0.22 -0.34 2.20 -1.26 -4.91 114.94 114.22 3g17 s ASN 139 Ca 0.65 -1.19 -0.12 0.00 -0.94 0.00 0.00 52.86 51.26 3g17 s ASN 139 Cb -0.26 0.69 0.28 0.00 -2.00 0.00 0.00 41.25 39.96 3g17 s ASN 139 CO 0.24 -1.36 1.63 0.00 -2.94 0.00 0.00 177.10 174.67 3g17 h ALA 140 N 2.12 0.51 -0.11 3.54 0.00 -1.99 0.43 119.26 123.75 3g17 h ALA 140 Ca -0.28 0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3g17 h ALA 140 Cb 1.25 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3g17 h ALA 140 CO 0.37 -0.42 -0.75 -0.07 0.00 0.00 0.00 179.25 178.38 3g17 h LEU 141 N 0.04 0.70 -0.64 0.00 3.38 -1.97 -2.27 115.31 114.54 3g17 h LEU 141 Ca 0.32 -0.46 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3g17 h LEU 141 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3g17 h LEU 141 CO -0.63 1.22 -0.54 0.71 0.09 0.00 0.00 178.44 179.29 3g17 h THR 142 N 0.40 1.34 -0.27 0.22 1.35 -1.75 -1.11 112.91 113.09 3g17 h THR 142 Ca -0.04 -1.81 0.06 0.00 -0.55 0.00 0.00 66.41 64.06 3g17 h THR 142 Cb 1.35 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.55 3g17 h THR 142 CO 0.14 0.55 -0.10 0.03 -0.25 0.00 0.00 175.52 175.89 3g17 h ARG 143 N 0.30 -0.05 -0.61 4.72 -0.00 -0.86 0.12 114.38 118.00 3g17 h ARG 143 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 3g17 h ARG 143 Cb 1.05 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.00 3g17 h ARG 143 CO 0.09 -0.03 0.29 1.96 0.00 0.00 0.00 179.97 182.28 3g17 h GLN 144 N -0.05 0.89 -0.59 0.04 4.20 -1.08 -1.72 115.11 116.80 3g17 h GLN 144 Ca 0.14 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3g17 h GLN 144 Cb 0.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3g17 h GLN 144 CO -0.31 0.71 0.22 0.35 -0.67 0.00 0.00 178.83 179.13 3g17 h PHE 145 N 0.84 0.93 -0.70 2.96 3.57 -1.03 -0.83 116.94 122.68 3g17 h PHE 145 Ca 0.21 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3g17 h PHE 145 Cb 0.12 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3g17 h PHE 145 CO 0.00 0.75 0.38 -0.09 -2.23 0.00 0.00 178.31 177.12 3g17 h ARG 146 N 0.83 0.64 -0.43 1.11 2.43 -0.53 -2.29 114.38 116.15 3g17 h ARG 146 Ca 0.20 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3g17 h ARG 146 Cb 0.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3g17 h ARG 146 CO -0.01 0.43 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.32 3g17 h ASP 147 N 0.66 0.84 -0.96 -3.80 3.45 -0.96 -2.95 116.42 112.70 3g17 h ASP 147 Ca 0.33 -0.37 0.14 0.00 0.43 0.00 0.00 57.03 57.56 3g17 h ASP 147 Cb 0.28 -0.23 -0.08 0.00 -0.56 0.00 0.00 39.33 38.74 3g17 h ASP 147 CO -0.22 1.02 0.61 0.25 -1.57 0.00 0.00 179.24 179.32 3g17 h LEU 148 N 0.66 0.80 -1.52 1.55 5.85 -0.90 -2.76 115.31 118.98 3g17 h LEU 148 Ca 0.11 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3g17 h LEU 148 Cb 0.66 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3g17 h LEU 148 CO 0.05 0.39 0.00 0.52 -0.34 0.00 0.00 178.44 179.06 3g17 n VAL 149 N -4.62 0.46 0.30 1.05 0.31 -0.89 -4.54 118.33 110.41 3g17 n VAL 149 Ca 0.19 -0.53 0.16 0.00 -0.01 0.00 0.00 64.34 64.15 3g17 n VAL 149 Cb 0.44 0.38 0.76 0.00 -0.91 0.00 0.00 33.84 34.50 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 2.63 0.00 -0.00 5.55 3.07 -1.45 -1.39 115.11 123.51 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 3g17 h GLN 150 CO 0.00 0.00 -0.59 -0.25 0.09 0.00 0.00 178.83 178.08 3g17 n ASP 151 N -2.70 0.62 -4.78 0.06 10.43 -1.26 -4.90 116.55 114.02 3g17 n ASP 151 Ca -0.00 -0.42 -0.25 0.00 2.57 0.00 0.00 54.79 56.68 3g17 n ASP 151 Cb 0.17 0.39 0.09 0.00 1.84 0.00 0.00 41.12 43.60 3g17 n ASP 151 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3g17 s SER 152 N -2.98 4.56 0.00 -2.24 1.04 -0.53 -4.91 113.70 108.65 3g17 s SER 152 Ca 0.11 0.20 0.15 0.00 0.48 0.00 0.00 55.95 56.89 3g17 s SER 152 Cb 0.17 -0.75 0.44 0.00 0.10 0.00 0.00 66.02 65.98 3g17 s SER 152 CO 0.72 -1.74 1.36 0.00 0.98 0.00 0.00 173.24 174.57 3g17 n GLN 153 N -2.93 2.12 -2.13 4.02 10.64 -1.26 -4.89 117.38 122.94 3g17 n GLN 153 Ca 0.10 -1.73 -0.43 0.00 -1.83 0.00 0.00 57.00 53.11 3g17 n GLN 153 Cb 0.60 -1.38 -0.03 0.00 -0.86 0.00 0.00 30.24 28.58 3g17 n GLN 153 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3g17 s ILE 154 N -1.37 3.74 -0.58 -0.39 -1.09 -1.26 -4.78 121.20 115.48 3g17 s ILE 154 Ca 0.32 0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 59.40 3g17 s ILE 154 Cb 0.17 -3.69 0.08 0.00 -1.58 0.00 0.00 42.46 37.44 3g17 s ILE 154 CO 0.22 -0.23 0.74 -0.62 -1.23 0.00 0.00 174.94 173.82 3g17 s ASP 155 N 3.79 6.20 -0.52 3.58 2.15 -0.14 -4.92 116.67 126.81 3g17 s ASP 155 Ca 0.70 -1.17 -0.21 0.00 0.43 0.00 0.00 52.55 52.29 3g17 s ASP 155 Cb -0.26 -2.32 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 3g17 s ASP 155 CO 0.28 -1.11 0.75 -0.63 -0.17 0.00 0.00 175.17 174.28 3g17 s ILE 156 N 2.95 4.68 -0.26 4.11 -1.09 -1.26 -0.72 121.20 129.62 3g17 s ILE 156 Ca 0.15 -0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 3g17 s ILE 156 Cb -0.21 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 3g17 s ILE 156 CO 0.09 -0.91 0.29 -0.69 -1.23 0.00 0.00 174.94 172.48 3g17 s VAL 157 N 3.15 5.25 -0.32 2.92 1.01 0.39 -4.98 120.40 127.81 3g17 s VAL 157 Ca 0.21 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 3g17 s VAL 157 Cb -0.16 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3g17 s VAL 157 CO 0.15 0.23 0.37 -0.76 0.00 0.00 0.00 175.10 175.08 3g17 s LEU 158 N 1.72 4.33 -0.12 3.92 1.43 -1.26 -0.26 118.68 128.44 3g17 s LEU 158 Ca 0.12 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3g17 s LEU 158 Cb -0.15 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3g17 s LEU 158 CO 0.09 -0.30 0.14 -1.61 0.23 0.00 0.00 176.35 174.90 3g17 s GLU 159 N 2.05 3.48 0.14 1.70 8.01 0.30 -4.73 118.70 129.64 3g17 s GLU 159 Ca 0.13 -0.14 -0.18 0.00 0.01 0.00 0.00 54.97 54.78 3g17 s GLU 159 Cb -0.16 -3.20 -0.02 0.00 -4.31 0.00 0.00 34.13 26.44 3g17 s GLU 159 CO 0.11 0.75 1.77 0.00 0.01 0.00 0.00 175.26 177.90 3g17 h ALA 160 N 5.09 0.33 -3.42 5.21 0.00 -1.91 0.30 119.26 124.86 3g17 h ALA 160 Ca -0.54 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 3g17 h ALA 160 Cb 1.22 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 3g17 h ALA 160 CO 0.59 -0.25 -0.77 1.21 0.00 0.00 0.00 179.25 180.03 3g17 s ASN 161 N -5.39 3.56 0.53 0.00 3.84 -1.26 -4.69 114.94 111.52 3g17 s ASN 161 Ca -0.13 -1.16 0.34 0.00 0.21 0.00 0.00 52.86 52.13 3g17 s ASN 161 Cb 0.10 -0.92 1.57 0.00 -0.55 0.00 0.00 41.25 41.45 3g17 s ASN 161 CO 0.70 -0.30 2.02 -0.29 -2.79 0.00 0.00 177.10 176.45 3g17 h ILE 162 N 6.58 0.00 -0.49 -5.21 6.09 -1.90 -3.24 117.51 119.34 3g17 h ILE 162 Ca -0.16 -0.32 0.10 0.00 -1.37 0.00 0.00 64.86 63.11 3g17 h ILE 162 Cb 1.08 1.25 -0.08 0.00 0.47 0.00 0.00 36.82 39.53 3g17 h ILE 162 CO 0.40 0.00 -0.02 -0.61 -3.07 0.00 0.00 178.15 174.84 3g17 h GLN 163 N 0.00 0.09 -0.51 2.19 4.15 -1.96 -0.53 115.11 118.53 3g17 h GLN 163 Ca 0.00 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3g17 h GLN 163 Cb 0.33 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.95 3g17 h GLN 163 CO 0.00 0.06 0.21 0.37 -1.93 0.00 0.00 178.83 177.54 3g17 h GLN 164 N 0.09 0.40 -0.72 1.69 4.15 -2.00 -1.84 115.11 116.88 3g17 h GLN 164 Ca 0.24 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 3g17 h GLN 164 Cb 0.37 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3g17 h GLN 164 CO -0.43 0.27 0.38 0.00 -1.93 0.00 0.00 178.83 177.12 3g17 h ALA 165 N 1.32 0.92 -0.38 3.38 0.00 -1.52 -2.11 119.26 120.88 3g17 h ALA 165 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3g17 h ALA 165 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3g17 h ALA 165 CO -0.22 0.45 0.11 0.82 0.00 0.00 0.00 179.25 180.42 3g17 h ILE 166 N 0.99 1.22 -0.33 0.00 2.04 -0.76 -2.58 117.51 118.09 3g17 h ILE 166 Ca 0.25 -0.71 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3g17 h ILE 166 Cb 0.06 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3g17 h ILE 166 CO -0.04 0.25 -0.39 -0.50 0.00 0.00 0.00 178.15 177.47 3g17 h TRP 167 N 0.46 1.03 -0.30 1.37 4.06 -1.31 0.24 115.95 121.51 3g17 h TRP 167 Ca 0.12 -0.32 0.04 0.00 2.06 0.00 0.00 58.89 60.79 3g17 h TRP 167 Cb 0.27 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3g17 h TRP 167 CO 0.01 1.13 0.08 -0.92 -3.56 0.00 0.00 178.44 175.18 3g17 h TYR 168 N 0.63 0.14 -0.23 0.49 3.20 -1.37 0.10 116.97 119.94 3g17 h TYR 168 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3g17 h TYR 168 Cb 0.98 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3g17 h TYR 168 CO 0.07 0.05 -0.21 -0.22 -1.64 0.00 0.00 178.16 176.21 3g17 h LYS 169 N 0.20 0.42 -0.87 1.82 1.63 -1.39 -1.45 116.57 116.92 3g17 h LYS 169 Ca 0.14 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 3g17 h LYS 169 Cb 0.13 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 3g17 h LYS 169 CO -0.16 0.61 0.57 -0.07 -3.45 0.00 0.00 179.45 176.96 3g17 h LEU 170 N 0.38 0.98 0.13 5.20 3.38 -0.19 -1.44 115.31 123.74 3g17 h LEU 170 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3g17 h LEU 170 Cb 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3g17 h LEU 170 CO 0.04 0.70 -0.06 -0.07 0.09 0.00 0.00 178.44 179.14 3g17 h LEU 171 N 1.16 -0.14 -0.72 1.67 4.07 -0.28 -0.32 115.31 120.75 3g17 h LEU 171 Ca 0.33 -0.34 0.16 0.00 0.08 0.00 0.00 57.88 58.11 3g17 h LEU 171 Cb -0.09 0.04 -0.12 0.00 1.08 0.00 0.00 40.66 41.56 3g17 h LEU 171 CO -0.08 0.29 -0.00 0.58 -1.08 0.00 0.00 178.44 178.14 3g17 h VAL 172 N -0.61 0.38 -0.86 1.22 2.07 -1.26 0.11 116.25 117.29 3g17 h VAL 172 Ca -0.02 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3g17 h VAL 172 Cb 0.47 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3g17 h VAL 172 CO 0.03 0.02 0.44 0.78 0.02 0.00 0.00 177.57 178.86 3g17 h ASN 173 N 0.10 1.11 -0.45 0.57 -0.26 -1.20 -3.30 115.58 112.16 3g17 h ASN 173 Ca 0.39 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 3g17 h ASN 173 Cb 0.66 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 3g17 h ASN 173 CO -0.63 0.91 0.29 0.25 -1.06 0.00 0.00 177.43 177.19 3g17 h LEU 174 N 1.22 0.52 0.00 1.61 5.85 0.11 -1.74 115.31 122.88 3g17 h LEU 174 Ca 0.30 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3g17 h LEU 174 Cb 0.08 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3g17 h LEU 174 CO -0.04 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 3g17 n GLY 175 N -1.18 -1.58 0.31 3.75 0.00 -1.01 -3.30 105.19 102.18 3g17 n GLY 175 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.02 0.00 -0.61 6.09 -1.67 -2.19 117.51 120.15 3g17 h ILE 176 Ca 0.00 -0.31 -0.10 0.00 -1.37 0.00 0.00 64.86 63.08 3g17 h ILE 176 Cb 0.00 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.31 3g17 h ILE 176 CO 0.00 0.17 -0.45 0.78 -3.07 0.00 0.00 178.15 175.57 3g17 h ASN 177 N 0.91 0.00 0.11 2.19 4.21 -1.50 -1.66 115.58 119.83 3g17 h ASN 177 Ca 0.36 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 3g17 h ASN 177 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3g17 h ASN 177 CO -0.18 0.45 -0.05 0.28 -1.29 0.00 0.00 177.43 176.64 3g17 h SER 178 N 0.00 -0.12 -0.08 5.81 0.02 -1.47 -2.12 113.55 115.58 3g17 h SER 178 Ca -0.00 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 3g17 h SER 178 Cb 0.89 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 3g17 h SER 178 CO 0.06 0.48 -0.12 0.40 -1.14 0.00 0.00 176.83 176.51 3g17 h ILE 179 N -0.82 0.67 -0.37 3.27 5.03 -1.39 -1.01 117.51 122.89 3g17 h ILE 179 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.63 3g17 h ILE 179 Cb 0.57 0.67 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 3g17 h ILE 179 CO 0.02 0.00 -0.14 0.71 -0.68 0.00 0.00 178.15 178.07 3g17 h THR 180 N -0.17 1.28 -0.18 -0.27 1.35 -1.40 0.49 112.91 114.01 3g17 h THR 180 Ca 0.07 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 3g17 h THR 180 Cb 0.27 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3g17 h THR 180 CO -0.18 0.41 -0.02 0.00 -0.25 0.00 0.00 175.52 175.47 3g17 h ALA 181 N 0.81 0.25 -0.22 6.62 0.00 -1.32 0.72 119.26 126.12 3g17 h ALA 181 Ca 0.09 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3g17 h ALA 181 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3g17 h ALA 181 CO 0.05 -0.01 -0.45 -0.07 0.00 0.00 0.00 179.25 178.77 3g17 h LEU 182 N 0.07 0.60 -1.56 0.00 3.38 -1.13 -2.94 115.31 113.73 3g17 h LEU 182 Ca 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3g17 h LEU 182 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3g17 h LEU 182 CO 0.01 0.96 -0.17 1.23 0.09 0.00 0.00 178.44 180.56 3g17 h GLY 183 N 1.06 0.00 -5.87 0.83 0.00 0.00 -3.47 103.07 95.63 3g17 h GLY 183 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.96 3g17 h GLY 183 CO 0.09 0.00 -0.68 0.54 0.00 0.00 0.00 176.54 176.48 3g17 n ARG 184 N -3.53 -7.91 -4.08 4.80 3.00 0.16 -4.99 116.66 104.12 3g17 n ARG 184 Ca -0.01 0.82 -0.08 0.00 -0.01 0.00 0.00 57.85 58.57 3g17 n ARG 184 Cb 0.33 -5.87 -0.10 0.00 0.00 0.00 0.00 32.46 26.81 3g17 n ARG 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3g17 s GLN 185 N -6.32 0.58 0.56 5.56 -0.21 -0.69 -5.05 119.66 114.08 3g17 s GLN 185 Ca 0.59 -1.11 -0.09 0.00 0.02 0.00 0.00 55.36 54.77 3g17 s GLN 185 Cb -0.26 0.13 0.13 0.00 1.00 0.00 0.00 33.01 34.01 3g17 s GLN 185 CO 0.73 -0.08 0.60 0.25 -2.12 0.00 0.00 175.29 174.67 3g17 n THR 186 N 0.41 0.00 0.29 -0.19 -2.24 -1.26 -4.54 114.28 106.75 3g17 n THR 186 Ca -0.16 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.45 3g17 n THR 186 Cb 0.60 -1.40 0.91 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.79 0.00 -1.03 2.28 2.07 -0.71 -2.12 116.25 114.93 3g17 h VAL 187 Ca -0.21 -0.13 0.40 0.00 0.82 0.00 0.00 66.70 67.58 3g17 h VAL 187 Cb 0.61 0.99 -0.17 0.00 -1.52 0.00 0.00 31.29 31.21 3g17 h VAL 187 CO 0.14 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.31 3g17 h ALA 188 N 2.02 2.17 -0.72 1.67 0.00 -1.27 -0.90 119.26 122.23 3g17 h ALA 188 Ca 0.00 0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.35 3g17 h ALA 188 Cb 0.14 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3g17 h ALA 188 CO 0.00 -0.91 0.60 0.97 0.00 0.00 0.00 179.25 179.91 3g17 h ILE 189 N 0.09 0.46 0.00 0.00 2.10 -1.69 0.12 117.51 118.59 3g17 h ILE 189 Ca 0.82 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.76 3g17 h ILE 189 Cb 2.14 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3g17 h ILE 189 CO -0.70 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 176.60 3g17 n MET 190 N -4.01 0.20 0.08 2.19 2.81 -0.34 -1.78 117.12 116.27 3g17 n MET 190 Ca 0.15 0.15 0.03 0.00 -1.81 0.00 0.00 57.70 56.21 3g17 n MET 190 Cb 0.86 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.34 -2.75 2.03 3.86 -0.96 -3.43 115.15 114.25 3g17 h HIS 191 Ca 0.00 -0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.66 3g17 h HIS 191 Cb 0.10 -0.11 0.03 0.00 1.06 0.00 0.00 27.41 28.49 3g17 h HIS 191 CO 0.00 0.35 0.95 -0.80 0.86 0.00 0.00 177.93 179.28 3g17 s ASN 192 N -6.83 6.63 0.22 2.45 0.01 -0.74 -4.92 114.94 111.77 3g17 s ASN 192 Ca -0.07 2.49 -0.08 0.00 -0.71 0.00 0.00 52.86 54.49 3g17 s ASN 192 Cb 0.16 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.43 3g17 s ASN 192 CO 0.73 -0.85 1.82 1.55 -1.51 0.00 0.00 177.10 178.85 3g17 h PRO 193 N 7.84 1.18 -0.18 -0.60 0.13 -1.90 -2.34 132.00 136.13 3g17 h PRO 193 Ca -0.42 -0.16 0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3g17 h PRO 193 Cb 1.20 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3g17 h PRO 193 CO 0.92 0.89 0.13 0.93 -0.23 0.00 0.00 178.00 180.65 3g17 h GLU 194 N 1.17 0.00 0.10 0.86 3.07 -1.96 -0.61 114.58 117.21 3g17 h GLU 194 Ca 0.29 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.86 3g17 h GLU 194 Cb 0.08 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3g17 h GLU 194 CO -0.04 0.00 -1.20 0.82 -1.40 0.00 0.00 179.01 177.19 3g17 h ILE 195 N 0.00 1.28 -0.16 3.13 1.08 -1.75 -1.47 117.51 119.63 3g17 h ILE 195 Ca 0.09 -2.41 -0.01 0.00 -0.39 0.00 0.00 64.86 62.14 3g17 h ILE 195 Cb 0.35 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3g17 h ILE 195 CO -0.00 0.74 0.07 0.03 -0.69 0.00 0.00 178.15 178.29 3g17 h ARG 196 N 0.29 0.23 -0.32 2.37 3.08 -1.00 0.24 114.38 119.28 3g17 h ARG 196 Ca -0.18 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.91 3g17 h ARG 196 Cb 1.87 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.80 3g17 h ARG 196 CO 0.23 0.30 -0.21 0.82 -1.07 0.00 0.00 179.97 180.05 3g17 h ILE 197 N 0.11 0.43 -0.75 2.04 2.04 -1.16 -0.68 117.51 119.53 3g17 h ILE 197 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3g17 h ILE 197 Cb 0.15 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3g17 h ILE 197 CO -0.01 0.00 0.49 0.25 0.00 0.00 0.00 178.15 178.89 3g17 h LEU 198 N -0.17 0.86 -0.65 1.44 5.85 -1.08 -1.63 115.31 119.92 3g17 h LEU 198 Ca 0.16 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3g17 h LEU 198 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3g17 h LEU 198 CO -0.42 0.62 -0.02 0.00 -0.34 0.00 0.00 178.44 178.28 3g17 h ARG 200 N 0.94 -0.31 -0.89 0.00 2.43 -0.77 -1.66 114.38 114.13 3g17 h ARG 200 Ca 0.16 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.55 3g17 h ARG 200 Cb 0.57 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.08 3g17 h ARG 200 CO 0.03 -0.09 0.43 1.96 -1.51 0.00 0.00 179.97 180.80 3g17 h GLN 201 N -0.48 0.50 0.04 0.20 1.08 -1.06 -0.25 115.11 115.15 3g17 h GLN 201 Ca -0.03 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3g17 h GLN 201 Cb 0.36 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3g17 h GLN 201 CO 0.05 0.33 -0.02 1.25 -0.95 0.00 0.00 178.83 179.49 3g17 h LEU 202 N 0.51 -0.05 -0.53 1.46 5.85 -0.84 -0.27 115.31 121.45 3g17 h LEU 202 Ca 0.53 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.15 3g17 h LEU 202 Cb 0.91 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 3g17 h LEU 202 CO -0.46 0.17 0.08 -0.07 -0.34 0.00 0.00 178.44 177.83 3g17 h LEU 203 N -0.26 -0.05 -0.42 2.25 3.38 -0.29 -1.37 115.31 118.56 3g17 h LEU 203 Ca -0.01 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.15 3g17 h LEU 203 Cb 0.24 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 3g17 h LEU 203 CO 0.01 -0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 178.40 3g17 h LEU 204 N 0.21 -0.31 -0.93 1.67 3.38 -0.88 0.21 115.31 118.67 3g17 h LEU 204 Ca 0.27 0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.55 3g17 h LEU 204 Cb 0.38 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 3g17 h LEU 204 CO -0.37 -0.11 0.50 0.44 0.09 0.00 0.00 178.44 178.99 3g17 h ASP 205 N 0.03 0.57 0.25 -0.43 5.19 -0.08 -1.90 116.42 120.05 3g17 h ASP 205 Ca 0.20 0.12 -0.20 0.00 -0.62 0.00 0.00 57.03 56.53 3g17 h ASP 205 Cb 0.31 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 3g17 h ASP 205 CO -0.40 0.16 -0.79 1.23 -3.12 0.00 0.00 179.24 176.32 3g17 h GLY 206 N 0.60 0.48 1.12 2.75 0.00 0.04 -3.07 103.07 104.99 3g17 h GLY 206 Ca 0.55 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3g17 h GLY 206 CO -0.43 0.64 -0.15 0.00 0.00 0.00 0.00 176.54 176.60 3g17 h ARG 208 N 0.89 0.00 -0.17 0.00 3.08 -1.39 0.69 114.38 117.48 3g17 h ARG 208 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3g17 h ARG 208 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3g17 h ARG 208 CO 0.06 0.34 -0.52 0.28 -1.07 0.00 0.00 179.97 179.05 3g17 h VAL 209 N 0.00 1.33 -0.09 2.04 2.07 -1.41 -2.41 116.25 117.78 3g17 h VAL 209 Ca -0.00 -1.77 -0.13 0.00 0.82 0.00 0.00 66.70 65.62 3g17 h VAL 209 Cb 0.63 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3g17 h VAL 209 CO 0.04 0.54 -0.46 0.00 0.02 0.00 0.00 177.57 177.71 3g17 h ALA 210 N 1.07 0.18 -0.42 1.67 0.00 -0.11 -3.13 119.26 118.52 3g17 h ALA 210 Ca 0.01 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3g17 h ALA 210 Cb 1.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3g17 h ALA 210 CO 0.09 0.34 0.03 1.96 0.00 0.00 0.00 179.25 181.67 3g17 h GLN 211 N 0.05 0.14 0.00 0.00 4.20 0.26 -0.85 115.11 118.91 3g17 h GLN 211 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3g17 h GLN 211 Cb 1.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3g17 h GLN 211 CO 0.10 0.09 0.01 0.00 -0.67 0.00 0.00 178.83 178.36 3g17 n ALA 212 N -2.54 1.30 -1.66 3.87 0.00 -0.91 -0.33 120.51 120.24 3g17 n ALA 212 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 3g17 n ALA 212 Cb 0.21 -0.91 0.17 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.02 1.27 -0.51 0.00 1.02 -0.34 -4.98 120.64 116.07 3g17 n GLU 213 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 3g17 n GLU 213 Cb 0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.90 1.96 3.74 0.62 0.00 0.55 -4.99 105.19 106.18 3g17 n GLY 214 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g17 n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g17 s LEU 215 N 0.00 4.47 -0.38 0.99 1.43 -1.09 -4.95 118.68 119.15 3g17 s LEU 215 Ca 0.00 2.30 -0.05 0.00 -1.03 0.00 0.00 54.13 55.34 3g17 s LEU 215 Cb 0.00 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 3g17 s LEU 215 CO 0.00 -0.35 3.17 -3.20 0.23 0.00 0.00 176.35 176.20 3g17 n ASN 216 N 2.07 6.16 -4.84 2.29 2.85 -1.26 -3.88 115.26 118.66 3g17 n ASN 216 Ca 0.03 -2.82 -0.36 0.00 -0.11 0.00 0.00 54.58 51.33 3g17 n ASN 216 Cb 0.44 -1.35 -0.06 0.00 1.24 0.00 0.00 39.78 40.05 3g17 n ASN 216 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3g17 s PHE 217 N -0.12 3.63 0.24 1.20 0.08 -1.26 -5.01 117.98 116.73 3g17 s PHE 217 Ca 0.63 1.14 0.05 0.00 0.12 0.00 0.00 56.93 58.86 3g17 s PHE 217 Cb 0.33 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3g17 s PHE 217 CO -0.10 0.42 0.17 -1.13 -0.10 0.00 0.00 175.22 174.48 3g17 n SER 218 N 0.86 0.00 -0.24 1.36 3.41 -1.26 -4.77 113.62 112.98 3g17 n SER 218 Ca -0.05 -2.50 0.07 0.00 -0.26 0.00 0.00 58.87 56.13 3g17 n SER 218 Cb 0.52 1.01 0.33 0.00 -0.26 0.00 0.00 64.21 65.81 3g17 n SER 218 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g17 h GLU 219 N 0.00 0.78 0.00 4.33 4.81 -2.00 -2.07 114.58 120.43 3g17 h GLU 219 Ca -0.18 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 3g17 h GLU 219 Cb 0.83 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3g17 h GLU 219 CO 0.27 0.52 -0.29 1.96 -0.73 0.00 0.00 179.01 180.73 3g17 h GLN 220 N 0.80 0.00 -0.37 1.92 4.20 -2.00 -2.06 115.11 117.60 3g17 h GLN 220 Ca 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 3g17 h GLN 220 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3g17 h GLN 220 CO -0.14 0.29 0.10 1.15 -0.67 0.00 0.00 178.83 179.56 3g17 h THR 221 N 0.00 1.22 -0.71 -0.54 2.02 -1.76 -2.83 112.91 110.31 3g17 h THR 221 Ca -0.00 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3g17 h THR 221 Cb 0.71 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3g17 h THR 221 CO 0.04 0.26 0.39 0.58 0.37 0.00 0.00 175.52 177.15 3g17 h VAL 222 N 0.45 0.93 -0.54 3.16 2.07 -1.21 -1.90 116.25 119.22 3g17 h VAL 222 Ca 0.12 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3g17 h VAL 222 Cb 0.29 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3g17 h VAL 222 CO -0.00 0.13 0.36 0.44 0.02 0.00 0.00 177.57 178.51 3g17 h ASP 223 N 0.69 0.53 -0.26 0.57 3.32 -1.23 -0.83 116.42 119.21 3g17 h ASP 223 Ca 0.33 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 3g17 h ASP 223 Cb 0.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3g17 h ASP 223 CO -0.21 0.37 -0.53 0.71 -1.72 0.00 0.00 179.24 177.85 3g17 h THR 224 N 0.62 1.29 -0.28 0.35 1.35 -1.12 -1.59 112.91 113.51 3g17 h THR 224 Ca 0.21 -1.73 -0.10 0.00 -0.55 0.00 0.00 66.41 64.25 3g17 h THR 224 Cb 0.09 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3g17 h THR 224 CO -0.06 0.56 -0.21 0.40 -0.25 0.00 0.00 175.52 175.96 3g17 h ILE 225 N 0.57 1.30 -0.42 6.82 2.04 -1.12 0.47 117.51 127.17 3g17 h ILE 225 Ca 0.01 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 3g17 h ILE 225 Cb 1.14 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3g17 h ILE 225 CO 0.12 0.43 0.19 0.24 0.00 0.00 0.00 178.15 179.12 3g17 h MET 226 N 0.38 0.59 -0.60 2.37 2.86 -1.21 -1.12 114.93 118.19 3g17 h MET 226 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3g17 h MET 226 Cb 0.75 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3g17 h MET 226 CO 0.06 0.48 0.10 1.15 1.06 0.00 0.00 176.91 179.75 3g17 h THR 227 N 0.59 1.26 -0.63 2.22 2.02 -0.93 -2.52 112.91 114.92 3g17 h THR 227 Ca 0.15 -0.99 0.10 0.00 0.77 0.00 0.00 66.41 66.44 3g17 h THR 227 Cb 0.09 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 3g17 h THR 227 CO -0.02 0.37 0.24 0.40 0.37 0.00 0.00 175.52 176.88 3g17 h ILE 228 N 0.90 0.76 -0.75 3.11 2.04 0.04 -2.74 117.51 120.87 3g17 h ILE 228 Ca 0.18 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3g17 h ILE 228 Cb 0.42 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3g17 h ILE 228 CO 0.01 0.08 0.50 1.88 0.00 0.00 0.00 178.15 180.61 3g17 h TYR 229 N 0.42 0.92 -0.35 1.37 0.99 -0.85 -2.37 116.97 117.09 3g17 h TYR 229 Ca 0.32 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3g17 h TYR 229 Cb 0.41 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.82 3g17 h TYR 229 CO -0.17 0.56 0.23 1.96 -0.00 0.00 0.00 178.16 180.74 3g17 h GLN 230 N 0.97 0.46 0.00 4.88 4.20 -1.14 -2.40 115.11 122.08 3g17 h GLN 230 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 3g17 h GLN 230 Cb -0.05 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3g17 h GLN 230 CO -0.07 0.31 -0.01 0.78 -0.67 0.00 0.00 178.83 179.17 3g17 h GLY 231 N 0.48 0.00 -4.30 3.46 0.00 -1.45 -3.45 103.07 97.81 3g17 h GLY 231 Ca 0.13 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.93 3g17 h GLY 231 CO -0.03 0.00 0.64 -0.19 0.00 0.00 0.00 176.54 176.96 3g17 s TYR 232 N -3.74 3.30 0.56 5.60 2.02 -0.91 -5.01 117.35 119.18 3g17 s TYR 232 Ca 0.00 1.21 -0.19 0.00 -0.37 0.00 0.00 57.07 57.72 3g17 s TYR 232 Cb 0.10 -3.57 -0.05 0.00 -0.40 0.00 0.00 41.96 38.04 3g17 s TYR 232 CO 0.53 -1.81 1.18 -2.14 -1.57 0.00 0.00 175.55 171.74 3g17 s PRO 233 N 0.19 3.17 0.51 -1.71 0.02 -1.26 -4.91 135.00 131.01 3g17 s PRO 233 Ca 0.58 1.77 0.21 0.00 0.02 0.00 0.00 61.00 63.57 3g17 s PRO 233 Cb -0.35 -2.00 1.30 0.00 0.02 0.00 0.00 34.50 33.47 3g17 s PRO 233 CO 0.36 -1.03 2.03 -0.44 -0.33 0.00 0.00 177.00 177.58 3g17 h ASP 234 N 1.10 0.06 1.14 2.53 3.32 -1.95 -1.93 116.42 120.69 3g17 h ASP 234 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3g17 h ASP 234 Cb 1.28 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3g17 h ASP 234 CO 0.56 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 177.50 3g17 n GLU 235 N -4.43 0.09 -2.00 3.56 4.71 -1.26 -0.86 120.64 120.45 3g17 n GLU 235 Ca 0.07 0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.89 3g17 n GLU 235 Cb 0.44 -1.61 -0.03 0.00 -1.01 0.00 0.00 31.44 29.24 3g17 n GLU 235 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 3g17 s MET 236 N -3.04 4.25 0.63 3.49 1.75 -0.73 -4.76 119.30 120.90 3g17 s MET 236 Ca 0.13 2.31 0.04 0.00 -1.25 0.00 0.00 55.69 56.91 3g17 s MET 236 Cb 0.16 -3.13 0.12 0.00 2.84 0.00 0.00 34.83 34.82 3g17 s MET 236 CO 0.54 -0.47 0.87 0.41 -0.65 0.00 0.00 175.02 175.72 3g17 n GLY 237 N 2.67 1.17 3.46 2.11 0.00 -1.26 -0.76 105.19 112.59 3g17 n GLY 237 Ca 0.09 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 3g17 n GLY 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g17 s THR 238 N -2.70 1.86 0.27 2.61 -4.23 -1.26 -4.91 115.64 107.27 3g17 s THR 238 Ca 0.60 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3g17 s THR 238 Cb -0.04 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.58 3g17 s THR 238 CO 0.39 -0.28 1.88 0.77 -0.54 0.00 0.00 174.62 176.84 3g17 h SER 239 N 2.21 1.04 -0.23 3.99 4.64 -1.99 0.61 113.55 123.82 3g17 h SER 239 Ca -0.41 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 60.74 3g17 h SER 239 Cb 1.24 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3g17 h SER 239 CO 0.68 0.65 -0.58 -0.03 -0.87 0.00 0.00 176.83 176.68 3g17 h MET 240 N 1.17 0.83 -0.45 4.77 1.85 -1.96 -2.03 114.93 119.10 3g17 h MET 240 Ca 0.44 -0.55 0.09 0.00 -0.61 0.00 0.00 59.70 59.07 3g17 h MET 240 Cb 0.18 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.20 3g17 h MET 240 CO -0.18 1.17 -0.09 -0.92 -0.40 0.00 0.00 176.91 176.49 3g17 h TYR 241 N 0.63 -0.20 -0.75 1.39 3.20 -1.70 -0.56 116.97 118.98 3g17 h TYR 241 Ca 0.01 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3g17 h TYR 241 Cb 1.18 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 3g17 h TYR 241 CO 0.07 -0.18 0.25 1.88 -1.64 0.00 0.00 178.16 178.54 3g17 h TYR 242 N 0.02 1.19 -0.11 -3.82 0.05 -0.62 -1.38 116.97 112.30 3g17 h TYR 242 Ca 0.22 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3g17 h TYR 242 Cb 0.33 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 3g17 h TYR 242 CO -0.37 0.93 0.02 -0.44 -1.05 0.00 0.00 178.16 177.25 3g17 h ASP 243 N 1.11 0.16 -0.08 3.88 3.32 -1.15 -1.56 116.42 122.11 3g17 h ASP 243 Ca 0.24 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3g17 h ASP 243 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3g17 h ASP 243 CO -0.01 0.36 -0.19 -0.29 -1.72 0.00 0.00 179.24 177.39 3g17 h ILE 244 N -0.04 1.25 0.00 0.35 2.10 -0.88 0.20 117.51 120.49 3g17 h ILE 244 Ca 0.03 -1.14 -0.15 0.00 1.08 0.00 0.00 64.86 64.69 3g17 h ILE 244 Cb 0.26 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.23 3g17 h ILE 244 CO 0.00 0.37 -0.69 0.58 -1.08 0.00 0.00 178.15 177.33 3g17 h VAL 245 N 0.43 1.35 -0.52 2.19 2.07 -1.25 -2.82 116.25 117.69 3g17 h VAL 245 Ca 0.07 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3g17 h VAL 245 Cb 0.58 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3g17 h VAL 245 CO 0.04 0.68 0.00 1.41 0.02 0.00 0.00 177.57 179.72 3g17 n HIS 246 N -3.51 0.69 -3.05 1.57 8.25 -0.59 -4.96 115.22 113.63 3g17 n HIS 246 Ca -0.00 -0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 56.93 3g17 n HIS 246 Cb 0.73 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.88 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 1.19 -4.86 -3.57 -0.41 1.13 -0.02 -5.01 117.38 105.82 3g17 n GLN 247 Ca 0.19 0.72 -0.19 0.00 -1.94 0.00 0.00 57.00 55.78 3g17 n GLN 247 Cb 0.50 -5.25 -0.01 0.00 0.11 0.00 0.00 30.24 25.59 3g17 n GLN 247 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3g17 s GLN 248 N -5.68 3.12 0.56 -1.09 -1.52 0.51 -5.02 119.66 110.53 3g17 s GLN 248 Ca 0.33 -1.01 -0.21 0.00 -1.95 0.00 0.00 55.36 52.52 3g17 s GLN 248 Cb -0.14 -2.79 -0.05 0.00 -0.22 0.00 0.00 33.01 29.80 3g17 s GLN 248 CO 0.40 0.12 1.20 -2.30 -0.25 0.00 0.00 175.29 174.46 3g17 n PRO 249 N -1.58 1.38 -3.25 2.91 -0.02 -1.26 -4.50 135.00 128.68 3g17 n PRO 249 Ca -0.01 0.51 -0.24 0.00 -2.02 0.00 0.00 63.50 61.74 3g17 n PRO 249 Cb 0.58 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3g17 n PRO 249 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g17 s LEU 250 N -2.78 3.91 -0.19 2.45 1.43 -1.26 -4.88 118.68 117.36 3g17 s LEU 250 Ca 0.73 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3g17 s LEU 250 Cb -0.43 -3.32 0.24 0.00 0.03 0.00 0.00 46.19 42.71 3g17 s LEU 250 CO 0.49 -0.39 1.49 -0.62 0.23 0.00 0.00 176.35 177.54 3g17 n GLU 251 N -1.88 1.52 -0.18 1.70 1.02 -1.26 -4.71 120.64 116.86 3g17 n GLU 251 Ca -0.03 -1.19 -0.07 0.00 -0.02 0.00 0.00 57.16 55.84 3g17 n GLU 251 Cb 0.56 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.54 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 0.51 1.17 -0.82 2.62 3.04 -1.97 -3.15 116.25 117.66 3g17 h VAL 252 Ca 0.25 -0.40 0.07 0.00 -1.01 0.00 0.00 66.70 65.61 3g17 h VAL 252 Cb 1.57 0.49 -0.05 0.00 -2.01 0.00 0.00 31.29 31.28 3g17 h VAL 252 CO 0.47 0.17 0.53 -0.33 -1.01 0.00 0.00 177.57 177.41 3g17 h GLU 253 N 0.69 0.84 -0.00 4.17 4.39 -1.96 -0.02 114.58 122.70 3g17 h GLU 253 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3g17 h GLU 253 Cb 0.02 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3g17 h GLU 253 CO -0.03 0.56 -0.12 0.00 -1.16 0.00 0.00 179.01 178.25 3g17 n ALA 254 N -2.42 2.69 -0.91 3.43 0.00 -1.19 -0.99 120.51 121.11 3g17 n ALA 254 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3g17 n ALA 254 Cb 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.31 0.00 -0.07 0.00 5.41 -0.15 -2.39 119.36 120.83 3g17 n ILE 255 Ca 0.10 0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.71 3g17 n ILE 255 Cb 0.31 -0.66 -0.04 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.87 -0.26 0.38 7.50 -1.44 -2.09 115.11 120.07 3g17 h GLN 256 Ca 0.00 -0.57 0.04 0.00 0.50 0.00 0.00 58.65 58.62 3g17 h GLN 256 Cb 0.00 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 3g17 h GLN 256 CO 0.00 1.20 0.03 0.78 -1.50 0.00 0.00 178.83 179.34 3g17 h GLY 257 N 0.68 0.27 1.41 3.46 0.00 -1.45 0.21 103.07 107.66 3g17 h GLY 257 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3g17 h GLY 257 CO 0.13 -0.03 0.16 -2.75 0.00 0.00 0.00 176.54 174.05 3g17 h PHE 258 N 0.11 0.76 -0.25 5.60 3.57 -0.93 0.17 116.94 125.97 3g17 h PHE 258 Ca 0.12 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3g17 h PHE 258 Cb 0.14 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3g17 h PHE 258 CO -0.18 0.62 -0.22 0.82 -2.23 0.00 0.00 178.31 177.12 3g17 h ILE 259 N 0.73 1.31 0.00 1.41 2.04 -1.02 -2.95 117.51 119.03 3g17 h ILE 259 Ca 0.17 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3g17 h ILE 259 Cb 0.21 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3g17 h ILE 259 CO -0.01 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.57 3g17 n TYR 260 N -4.37 0.00 -0.33 1.37 4.19 0.71 -1.36 117.16 117.37 3g17 n TYR 260 Ca -0.04 0.00 0.31 0.00 3.31 0.00 0.00 57.90 61.48 3g17 n TYR 260 Cb 0.42 -0.36 0.56 0.00 0.49 0.00 0.00 39.34 40.46 3g17 n TYR 260 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3g17 n ARG 261 N -1.85 -0.05 -0.14 2.98 1.74 0.49 0.14 116.66 119.97 3g17 n ARG 261 Ca 0.00 1.24 -0.11 0.00 -0.77 0.00 0.00 57.85 58.21 3g17 n ARG 261 Cb 0.00 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.15 3g17 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g17 h ARG 262 N 0.00 0.80 -0.77 5.56 -0.00 -1.31 -3.08 114.38 115.59 3g17 h ARG 262 Ca 0.79 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.98 59.95 3g17 h ARG 262 Cb 2.20 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 32.10 3g17 h ARG 262 CO -0.64 0.94 0.47 0.00 0.00 0.00 0.00 179.97 180.74 3g17 h ALA 263 N 0.84 1.38 -0.43 0.04 0.00 0.25 -1.81 119.26 119.52 3g17 h ALA 263 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g17 h ALA 263 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g17 h ALA 263 CO 0.05 0.54 0.24 0.00 0.00 0.00 0.00 179.25 180.07 3g17 h ARG 264 N 1.05 0.61 -0.81 0.00 2.47 -1.51 -1.55 114.38 114.64 3g17 h ARG 264 Ca 0.28 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 59.02 3g17 h ARG 264 Cb -0.05 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.09 3g17 h ARG 264 CO -0.05 0.49 0.53 1.49 0.56 0.00 0.00 179.97 182.98 3g17 h GLU 265 N 0.57 0.75 -0.34 0.04 4.81 -1.24 0.44 114.58 119.61 3g17 h GLU 265 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3g17 h GLU 265 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3g17 h GLU 265 CO -0.02 0.50 0.00 0.72 -0.73 0.00 0.00 179.01 179.47 3g17 n HIS 266 N -4.51 0.44 -3.52 0.92 8.25 -1.07 -4.99 115.22 110.74 3g17 n HIS 266 Ca 0.13 -0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 3g17 n HIS 266 Cb 0.31 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 0.73 -5.64 -4.62 0.41 4.13 0.16 -5.01 115.26 105.41 3g17 n ASN 267 Ca 0.16 -0.37 -0.25 0.00 1.68 0.00 0.00 54.58 55.80 3g17 n ASN 267 Cb 0.39 -2.22 -0.09 0.00 -1.54 0.00 0.00 39.78 36.32 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 -3.44 2.97 -0.49 3.41 1.43 -0.64 -5.02 118.68 116.90 3g17 s LEU 268 Ca 0.22 -1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 52.11 3g17 s LEU 268 Cb -0.03 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3g17 s LEU 268 CO 0.87 -0.23 0.68 -0.62 0.23 0.00 0.00 176.35 177.28 3g17 s ASP 269 N -3.71 6.27 -0.51 2.29 3.68 -1.26 -4.83 116.67 118.60 3g17 s ASP 269 Ca 0.35 -0.64 0.06 0.00 2.13 0.00 0.00 52.55 54.45 3g17 s ASP 269 Cb -0.00 -2.32 0.23 0.00 -1.45 0.00 0.00 42.92 39.38 3g17 s ASP 269 CO 0.19 -0.91 0.57 0.35 0.13 0.00 0.00 175.17 175.50 3g17 n THR 270 N 5.78 0.55 -0.15 1.71 -2.24 -1.26 -4.97 114.28 113.70 3g17 n THR 270 Ca -0.04 -4.45 -0.06 0.00 -2.27 0.00 0.00 64.05 57.24 3g17 n THR 270 Cb 0.46 -1.99 0.12 0.00 -2.10 0.00 0.00 70.33 66.82 3g17 n THR 270 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3g17 h PRO 271 N 4.42 0.90 0.19 -0.78 0.13 -1.99 -1.06 132.00 133.81 3g17 h PRO 271 Ca 0.15 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3g17 h PRO 271 Cb 0.79 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3g17 h PRO 271 CO 0.61 0.87 -0.09 1.88 -0.23 0.00 0.00 178.00 181.04 3g17 h TYR 272 N 0.84 -0.23 -0.65 1.56 0.05 -1.93 -1.99 116.97 114.61 3g17 h TYR 272 Ca 0.16 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.07 3g17 h TYR 272 Cb 0.45 0.08 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 3g17 h TYR 272 CO 0.03 0.13 0.12 1.25 -1.05 0.00 0.00 178.16 178.64 3g17 h LEU 273 N -0.64 -0.06 -0.71 3.88 5.85 -1.89 -1.79 115.31 119.95 3g17 h LEU 273 Ca -0.03 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3g17 h LEU 273 Cb 0.47 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3g17 h LEU 273 CO 0.04 -0.03 0.27 0.44 -0.34 0.00 0.00 178.44 178.82 3g17 h ASP 274 N 0.23 1.00 -0.22 1.25 5.19 -0.95 0.59 116.42 123.52 3g17 h ASP 274 Ca 0.35 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.49 3g17 h ASP 274 Cb 0.56 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3g17 h ASP 274 CO -0.47 0.91 -0.22 0.71 -3.12 0.00 0.00 179.24 177.05 3g17 h THR 275 N 1.03 1.32 -0.03 0.35 1.35 -1.08 0.21 112.91 116.06 3g17 h THR 275 Ca 0.24 -1.38 0.04 0.00 -0.55 0.00 0.00 66.41 64.75 3g17 h THR 275 Cb 0.24 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 3g17 h THR 275 CO -0.02 0.43 -0.29 0.40 -0.25 0.00 0.00 175.52 175.79 3g17 h ILE 276 N 0.22 0.35 -0.64 6.82 5.03 -1.13 -1.61 117.51 126.56 3g17 h ILE 276 Ca 0.03 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 3g17 h ILE 276 Cb 0.77 0.35 -0.05 0.00 -3.03 0.00 0.00 36.82 34.86 3g17 h ILE 276 CO 0.05 0.00 0.36 0.22 -0.68 0.00 0.00 178.15 178.10 3g17 h TYR 277 N -0.42 0.66 -0.49 1.37 3.20 -0.78 -2.02 116.97 118.49 3g17 h TYR 277 Ca 0.07 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3g17 h TYR 277 Cb 0.52 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3g17 h TYR 277 CO -0.33 0.33 0.21 0.77 -1.64 0.00 0.00 178.16 177.50 3g17 h SER 278 N 0.68 0.26 -0.21 -2.11 0.02 -0.40 0.19 113.55 111.99 3g17 h SER 278 Ca 0.28 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3g17 h SER 278 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3g17 h SER 278 CO -0.16 0.18 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.42 3g17 h PHE 279 N 0.41 0.43 -0.32 3.45 0.04 -1.00 -1.71 116.94 118.25 3g17 h PHE 279 Ca 0.22 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.98 3g17 h PHE 279 Cb 0.19 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.16 3g17 h PHE 279 CO -0.13 0.62 -0.15 -0.07 -0.60 0.00 0.00 178.31 177.98 3g17 h LEU 280 N 0.12 -0.51 -0.87 1.54 4.07 -1.11 0.17 115.31 118.72 3g17 h LEU 280 Ca 0.05 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3g17 h LEU 280 Cb 0.47 0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 3g17 h LEU 280 CO 0.02 -0.19 0.55 -0.09 -1.08 0.00 0.00 178.44 177.65 3g17 h ARG 281 N -0.10 1.16 -0.77 1.13 9.65 -0.61 -1.85 114.38 123.00 3g17 h ARG 281 Ca 0.16 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3g17 h ARG 281 Cb 0.35 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3g17 h ARG 281 CO -0.38 0.80 0.44 0.00 2.80 0.00 0.00 179.97 183.62 3g17 h ALA 282 N 1.30 0.99 -0.40 2.80 0.00 -0.47 -0.17 119.26 123.31 3g17 h ALA 282 Ca 0.31 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3g17 h ALA 282 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3g17 h ALA 282 CO -0.06 0.48 0.21 -0.92 0.00 0.00 0.00 179.25 178.96 3g17 h TYR 283 N 1.07 0.39 -0.27 0.00 3.20 -0.56 -1.25 116.97 119.54 3g17 h TYR 283 Ca 0.27 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3g17 h TYR 283 Cb 0.00 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3g17 h TYR 283 CO -0.00 0.21 0.11 1.96 -1.64 0.00 0.00 178.16 178.80 3g17 h GLN 284 N 0.43 0.23 -0.86 1.82 1.08 -0.68 -1.46 115.11 115.67 3g17 h GLN 284 Ca 0.16 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 3g17 h GLN 284 Cb 0.05 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 3g17 h GLN 284 CO -0.10 0.16 0.57 1.96 -0.95 0.00 0.00 178.83 180.46 3g17 h GLN 285 N 0.24 1.02 -0.32 1.46 7.50 -0.98 -3.02 115.11 121.01 3g17 h GLN 285 Ca 0.12 -0.06 -0.15 0.00 0.50 0.00 0.00 58.65 59.06 3g17 h GLN 285 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 3g17 h GLN 285 CO -0.11 0.67 -0.40 -0.97 -1.50 0.00 0.00 178.83 176.52 3g17 h ASN 286 N 1.05 0.83 -0.33 1.46 -0.73 -0.25 -3.26 115.58 114.35 3g17 h ASN 286 Ca 0.35 -0.38 -0.15 0.00 1.87 0.00 0.00 56.30 57.98 3g17 h ASN 286 Cb 0.07 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 3g17 h ASN 286 CO -0.11 1.13 -0.37 -0.08 -0.37 0.00 0.00 177.43 177.63 3g17 h GLU 287 N 0.64 0.88 0.00 6.67 4.22 -1.22 -3.51 114.58 122.26 3g17 h GLU 287 Ca 0.05 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 59.04 3g17 h GLU 287 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3g17 h GLU 287 CO 0.09 1.10 0.00 0.41 -2.18 0.00 0.00 179.01 178.43