#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o9a n HIS 2 N 0.00 -1.30 -3.99 1.61 -0.00 -1.26 -4.77 115.22 105.51 2o9a n HIS 2 Ca 0.00 -1.17 -0.32 0.00 -0.00 0.00 0.00 57.72 56.23 2o9a n HIS 2 Cb 0.00 0.57 -0.06 0.00 -0.00 0.00 0.00 29.99 30.50 2o9a n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2o9a s MET 3 N -2.05 3.23 0.00 -1.40 0.00 -1.26 -5.05 119.30 112.77 2o9a s MET 3 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 55.69 55.44 2o9a s MET 3 Cb -0.03 -2.95 0.00 0.00 0.00 0.00 0.00 34.83 31.85 2o9a s MET 3 CO 0.05 0.64 0.00 0.45 0.00 0.00 0.00 175.02 176.16 2o9a n SER 4 N 0.80 0.00 -0.19 -1.18 2.88 -1.26 -5.05 113.62 109.62 2o9a n SER 4 Ca -0.10 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.35 2o9a n SER 4 Cb 0.52 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 2o9a n SER 4 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2o9a h ARG 5 N 0.00 0.97 0.00 -1.46 9.65 -1.98 0.41 114.38 121.97 2o9a h ARG 5 Ca 0.00 -0.30 -0.09 0.00 -1.10 0.00 0.00 59.98 58.48 2o9a h ARG 5 Cb 0.00 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2o9a h ARG 5 CO 0.00 0.97 -0.45 -0.91 2.80 0.00 0.00 179.97 182.38 2o9a h ASN 6 N 0.85 0.00 -0.06 -3.80 4.21 -2.01 -0.96 115.58 113.81 2o9a h ASN 6 Ca 0.16 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.56 2o9a h ASN 6 Cb 0.52 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.73 2o9a h ASN 6 CO 0.03 0.45 -0.37 0.25 -1.29 0.00 0.00 177.43 176.49 2o9a h LEU 7 N 0.00 0.44 -1.17 1.61 5.85 -1.71 -2.24 115.31 118.09 2o9a h LEU 7 Ca -0.00 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.07 2o9a h LEU 7 Cb 0.82 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2o9a h LEU 7 CO 0.06 1.03 0.57 -0.07 -0.34 0.00 0.00 178.44 179.69 2o9a h LEU 8 N -0.13 0.95 -0.69 2.25 3.38 -0.13 0.14 115.31 121.07 2o9a h LEU 8 Ca -0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2o9a h LEU 8 Cb 1.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2o9a h LEU 8 CO 0.08 0.67 0.44 0.00 0.09 0.00 0.00 178.44 179.71 2o9a h ALA 9 N 1.48 0.90 -0.56 1.53 0.00 -1.09 0.12 119.26 121.65 2o9a h ALA 9 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2o9a h ALA 9 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2o9a h ALA 9 CO -0.09 0.23 0.24 0.82 0.00 0.00 0.00 179.25 180.46 2o9a h ILE 10 N 0.87 1.21 -0.63 0.00 1.08 -0.76 -3.26 117.51 116.02 2o9a h ILE 10 Ca 0.27 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 2o9a h ILE 10 Cb -0.01 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 2o9a h ILE 10 CO -0.09 0.25 0.32 0.58 -0.69 0.00 0.00 178.15 178.52 2o9a h VAL 11 N 0.76 1.21 -0.21 1.67 2.07 -0.19 -3.31 116.25 118.24 2o9a h VAL 11 Ca 0.19 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2o9a h VAL 11 Cb 0.16 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2o9a h VAL 11 CO -0.02 0.24 -0.09 -0.74 0.02 0.00 0.00 177.57 176.97 2o9a h HIS 12 N 0.86 -0.22 0.00 1.57 -0.00 -0.82 -0.91 115.15 115.64 2o9a h HIS 12 Ca 0.22 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2o9a h HIS 12 Cb 0.08 0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2o9a h HIS 12 CO -0.00 -0.15 -0.16 -1.35 -0.00 0.00 0.00 177.93 176.27 2o9a h PRO 13 N -0.06 0.00 -0.60 5.26 0.11 -1.73 -0.38 132.00 134.60 2o9a h PRO 13 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2o9a h PRO 13 Cb 0.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2o9a h PRO 13 CO -0.25 0.16 0.33 0.82 -0.21 0.00 0.00 178.00 178.86 2o9a h ILE 14 N 0.00 1.19 -0.43 4.15 2.04 -1.29 -0.80 117.51 122.37 2o9a h ILE 14 Ca -0.00 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2o9a h ILE 14 Cb 0.36 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2o9a h ILE 14 CO 0.02 0.21 0.17 -0.07 0.00 0.00 0.00 178.15 178.48 2o9a h LEU 15 N 0.82 0.59 -0.18 1.44 3.38 -0.42 -1.65 115.31 119.29 2o9a h LEU 15 Ca 0.21 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2o9a h LEU 15 Cb 0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2o9a h LEU 15 CO -0.03 0.60 -0.14 0.03 0.09 0.00 0.00 178.44 178.99 2o9a h ARG 16 N 0.55 -0.15 -0.66 1.13 3.08 -0.87 -1.20 114.38 116.26 2o9a h ARG 16 Ca 0.14 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2o9a h ARG 16 Cb 0.20 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2o9a h ARG 16 CO -0.01 -0.10 0.35 -0.91 -1.07 0.00 0.00 179.97 178.24 2o9a h ASN 17 N -0.15 0.82 -0.43 7.04 2.35 -1.11 -2.21 115.58 121.89 2o9a h ASN 17 Ca 0.11 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 2o9a h ASN 17 Cb 0.31 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2o9a h ASN 17 CO -0.27 0.67 -0.16 0.25 -1.65 0.00 0.00 177.43 176.27 2o9a h LEU 18 N 0.93 0.92 -0.33 1.61 5.85 -0.92 0.34 115.31 123.71 2o9a h LEU 18 Ca 0.23 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2o9a h LEU 18 Cb 0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2o9a h LEU 18 CO -0.04 1.07 0.22 -0.03 -0.34 0.00 0.00 178.44 179.32 2o9a h MET 19 N 0.81 0.43 -0.47 1.25 4.05 -0.92 0.12 114.93 120.19 2o9a h MET 19 Ca 0.12 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 2o9a h MET 19 Cb 0.70 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2o9a h MET 19 CO 0.05 0.28 -0.02 0.93 0.23 0.00 0.00 176.91 178.38 2o9a h GLU 20 N 0.44 0.85 -0.38 0.39 4.39 -1.18 0.49 114.58 119.59 2o9a h GLU 20 Ca 0.12 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 2o9a h GLU 20 Cb -0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2o9a h GLU 20 CO -0.03 0.91 -0.17 1.49 -1.16 0.00 0.00 179.01 180.05 2o9a h GLU 21 N 0.70 0.79 0.00 2.33 4.81 -0.76 -3.27 114.58 119.17 2o9a h GLU 21 Ca 0.13 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 2o9a h GLU 21 Cb 0.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2o9a h GLU 21 CO 0.03 0.96 -0.94 0.66 -0.73 0.00 0.00 179.01 178.99 2o9a h SER 22 N 0.59 0.00 0.00 1.04 4.64 -0.57 -3.48 113.55 115.77 2o9a h SER 22 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2o9a h SER 22 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2o9a h SER 22 CO 0.05 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2o9a n GLY 23 N 1.25 0.50 3.47 -0.77 0.00 0.17 -5.03 105.19 104.77 2o9a n GLY 23 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2o9a n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o9a s GLU 24 N -0.42 1.64 0.33 1.61 0.41 -1.21 -4.80 118.70 116.26 2o9a s GLU 24 Ca 0.00 -1.86 -0.29 0.00 -0.41 0.00 0.00 54.97 52.41 2o9a s GLU 24 Cb 0.00 -1.21 -0.12 0.00 -1.78 0.00 0.00 34.13 31.02 2o9a s GLU 24 CO 0.00 -0.00 1.45 2.41 -0.49 0.00 0.00 175.26 178.63 2o9a n THR 25 N -0.67 1.64 -5.15 3.63 -1.04 -1.22 -4.31 114.28 107.17 2o9a n THR 25 Ca -0.05 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.05 61.26 2o9a n THR 25 Cb 0.64 -1.80 -0.16 0.00 -1.82 0.00 0.00 70.33 67.19 2o9a n THR 25 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2o9a s VAL 26 N -0.72 1.82 0.11 12.58 1.01 -0.39 -0.99 120.40 133.82 2o9a s VAL 26 Ca 0.58 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.66 2o9a s VAL 26 Cb -0.53 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2o9a s VAL 26 CO 0.58 0.52 -0.22 0.20 0.00 0.00 0.00 175.10 176.17 2o9a s ASN 27 N -0.53 2.72 -0.07 3.32 0.01 0.08 -0.23 114.94 120.24 2o9a s ASN 27 Ca 0.08 -0.70 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 2o9a s ASN 27 Cb -0.09 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 2o9a s ASN 27 CO -0.01 0.09 -0.23 -0.32 -1.51 0.00 0.00 177.10 175.12 2o9a s MET 28 N -1.94 2.50 0.11 -0.60 -2.45 0.12 -1.14 119.30 115.89 2o9a s MET 28 Ca 0.08 -0.83 0.05 0.00 -1.25 0.00 0.00 55.69 53.74 2o9a s MET 28 Cb -0.10 -2.06 -0.04 0.00 1.25 0.00 0.00 34.83 33.89 2o9a s MET 28 CO 0.05 0.30 -0.12 0.00 1.05 0.00 0.00 175.02 176.30 2o9a s ALA 29 N 0.02 1.27 0.31 4.11 0.00 -0.07 -0.22 121.76 127.19 2o9a s ALA 29 Ca -0.08 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.75 2o9a s ALA 29 Cb -0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2o9a s ALA 29 CO 0.05 0.01 -0.11 0.14 0.00 0.00 0.00 175.76 175.85 2o9a s VAL 30 N -2.35 2.49 -0.12 0.00 -7.23 -0.18 -0.79 120.40 112.22 2o9a s VAL 30 Ca 0.07 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 57.84 2o9a s VAL 30 Cb -0.03 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2o9a s VAL 30 CO 0.01 -0.29 0.45 -0.22 -0.31 0.00 0.00 175.10 174.74 2o9a s LEU 31 N -3.59 4.27 -0.47 1.32 2.96 -1.26 -0.14 118.68 121.76 2o9a s LEU 31 Ca 0.32 0.77 -0.27 0.00 -0.22 0.00 0.00 54.13 54.73 2o9a s LEU 31 Cb -0.02 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 44.06 2o9a s LEU 31 CO 0.17 0.02 1.00 -0.62 -1.32 0.00 0.00 176.35 175.60 2o9a s ASP 32 N 0.57 6.53 0.65 3.68 -1.08 -0.38 -4.94 116.67 121.70 2o9a s ASP 32 Ca 0.24 0.20 0.38 0.00 -0.52 0.00 0.00 52.55 52.86 2o9a s ASP 32 Cb -0.15 -2.48 2.07 0.00 -1.46 0.00 0.00 42.92 40.90 2o9a s ASP 32 CO 0.09 -1.13 2.16 1.56 0.52 0.00 0.00 175.17 178.37 2o9a h GLN 33 N 9.15 0.00 -1.80 4.34 1.08 -1.96 0.40 115.11 126.33 2o9a h GLN 33 Ca -0.24 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2o9a h GLN 33 Cb 1.07 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.26 2o9a h GLN 33 CO 1.07 0.00 0.25 0.45 -0.95 0.00 0.00 178.83 179.65 2o9a s SER 34 N -4.81 -0.66 0.00 1.46 0.15 -1.26 -4.49 113.70 104.09 2o9a s SER 34 Ca -0.04 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.79 2o9a s SER 34 Cb 0.11 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 2o9a s SER 34 CO 0.35 -0.20 0.65 -0.90 1.20 0.00 0.00 173.24 174.34 2o9a n ASP 35 N 3.01 0.29 -1.98 5.45 5.68 -1.25 -4.99 116.55 122.76 2o9a n ASP 35 Ca -0.15 -1.59 -0.21 0.00 -0.50 0.00 0.00 54.79 52.34 2o9a n ASP 35 Cb 0.56 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 2o9a n ASP 35 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2o9a n HIS 36 N -0.28 -0.47 -2.21 2.11 8.25 0.14 -4.76 115.22 118.01 2o9a n HIS 36 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2o9a n HIS 36 Cb 0.07 -3.73 -0.02 0.00 1.12 0.00 0.00 29.99 27.44 2o9a n HIS 36 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2o9a s GLU 37 N -4.37 3.81 -0.24 -0.41 2.02 -1.25 -4.05 118.70 114.20 2o9a s GLU 37 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 54.97 55.77 2o9a s GLU 37 Cb 0.00 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 2o9a s GLU 37 CO 0.00 -0.39 0.19 0.00 0.02 0.00 0.00 175.26 175.08 2o9a s ALA 38 N -2.81 3.59 -0.26 5.21 0.00 -0.16 -1.25 121.76 126.08 2o9a s ALA 38 Ca 0.58 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 2o9a s ALA 38 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2o9a s ALA 38 CO 0.39 -0.27 0.43 0.42 0.00 0.00 0.00 175.76 176.73 2o9a s ILE 39 N 1.21 5.14 -0.05 0.00 1.01 0.80 -0.24 121.20 129.06 2o9a s ILE 39 Ca 0.09 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 2o9a s ILE 39 Cb -0.14 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2o9a s ILE 39 CO 0.06 0.14 1.62 -0.63 0.00 0.00 0.00 174.94 176.14 2o9a s ILE 40 N 2.07 3.60 -0.05 2.92 1.01 -0.09 -1.01 121.20 129.65 2o9a s ILE 40 Ca 0.18 0.75 0.13 0.00 0.00 0.00 0.00 60.65 61.71 2o9a s ILE 40 Cb -0.16 -3.48 -0.19 0.00 0.01 0.00 0.00 42.46 38.64 2o9a s ILE 40 CO 0.09 -0.06 0.22 2.30 0.00 0.00 0.00 174.94 177.49 2o9a n ILE 41 N 5.40 0.27 -3.72 2.92 -5.35 0.70 0.55 119.36 120.13 2o9a n ILE 41 Ca 0.17 -0.38 -0.10 0.00 -0.27 0.00 0.00 62.75 62.17 2o9a n ILE 41 Cb 0.43 -0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.20 2o9a n ILE 41 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2o9a s ASP 42 N -3.87 -0.14 -0.25 7.28 2.15 -1.05 -4.91 116.67 115.88 2o9a s ASP 42 Ca -0.05 -0.46 -0.26 0.00 0.43 0.00 0.00 52.55 52.21 2o9a s ASP 42 Cb 0.07 0.46 0.09 0.00 -0.30 0.00 0.00 42.92 43.24 2o9a s ASP 42 CO 0.55 -0.86 0.81 -1.58 -0.17 0.00 0.00 175.17 173.92 2o9a s GLN 43 N -3.84 0.76 -0.21 4.34 0.74 -1.26 -0.70 119.66 119.49 2o9a s GLN 43 Ca 0.06 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.27 2o9a s GLN 43 Cb 0.02 0.37 0.05 0.00 1.10 0.00 0.00 33.01 34.55 2o9a s GLN 43 CO -0.09 -0.11 -0.09 0.08 -0.55 0.00 0.00 175.29 174.53 2o9a s VAL 44 N 0.15 1.57 0.36 1.34 1.01 0.68 -5.00 120.40 120.50 2o9a s VAL 44 Ca -0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 2o9a s VAL 44 Cb -0.04 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 2o9a s VAL 44 CO -0.00 0.10 0.82 -1.10 0.00 0.00 0.00 175.10 174.91 2o9a s GLN 45 N 1.41 4.10 1.02 2.72 -0.21 -1.26 -1.27 119.66 126.18 2o9a s GLN 45 Ca -0.02 0.85 -0.16 0.00 0.02 0.00 0.00 55.36 56.05 2o9a s GLN 45 Cb -0.17 -2.36 0.21 0.00 1.00 0.00 0.00 33.01 31.69 2o9a s GLN 45 CO -0.08 0.10 1.21 0.00 -2.12 0.00 0.00 175.29 174.41 2o9a n THR 47 N -4.07 0.79 -1.87 0.00 -2.24 -1.26 -4.91 114.28 100.72 2o9a n THR 47 Ca 0.13 -0.89 -0.40 0.00 -2.27 0.00 0.00 64.05 60.62 2o9a n THR 47 Cb 0.59 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 2o9a n THR 47 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2o9a s HIS 48 N -1.13 2.56 0.19 4.78 3.76 -1.26 -4.93 115.29 119.26 2o9a s HIS 48 Ca 0.36 1.30 -0.11 0.00 -0.15 0.00 0.00 55.06 56.47 2o9a s HIS 48 Cb 0.20 -3.85 0.22 0.00 1.11 0.00 0.00 32.58 30.26 2o9a s HIS 48 CO 0.27 -2.70 1.73 -0.07 -0.85 0.00 0.00 174.74 173.12 2o9a h LEU 49 N 2.41 0.13 -8.36 0.89 3.38 -2.02 -3.37 115.31 108.36 2o9a h LEU 49 Ca -0.50 0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 2o9a h LEU 49 Cb 1.26 0.08 -0.27 0.00 0.09 0.00 0.00 40.66 41.82 2o9a h LEU 49 CO 0.61 0.09 -0.65 -0.32 0.09 0.00 0.00 178.44 178.26 2o9a s MET 50 N -6.12 3.11 0.25 1.13 1.75 -1.26 -5.06 119.30 113.10 2o9a s MET 50 Ca -0.13 -0.83 -0.17 0.00 -1.25 0.00 0.00 55.69 53.31 2o9a s MET 50 Cb 0.16 -3.26 0.01 0.00 2.84 0.00 0.00 34.83 34.58 2o9a s MET 50 CO 0.73 -0.39 0.58 -0.98 -0.65 0.00 0.00 175.02 174.32 2o9a s ARG 51 N 1.47 1.60 0.06 4.11 1.70 -1.26 -4.85 118.95 121.79 2o9a s ARG 51 Ca 0.03 -1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 53.93 2o9a s ARG 51 Cb -0.17 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2o9a s ARG 51 CO 0.01 -0.70 1.18 1.41 -1.08 0.00 0.00 175.30 176.12 2o9a s MET 52 N -3.94 4.45 -0.27 3.89 -2.45 -1.26 -4.93 119.30 114.79 2o9a s MET 52 Ca 0.15 1.74 0.21 0.00 -1.25 0.00 0.00 55.69 56.54 2o9a s MET 52 Cb -0.03 -3.35 0.49 0.00 1.25 0.00 0.00 34.83 33.19 2o9a s MET 52 CO 0.05 -0.23 1.19 0.43 1.05 0.00 0.00 175.02 177.51 2o9a n SER 53 N 3.87 1.00 -4.60 1.11 7.64 -1.26 -4.74 113.62 116.64 2o9a n SER 53 Ca 0.08 -2.05 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 2o9a n SER 53 Cb 0.47 -0.26 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 2o9a n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2o9a n ALA 54 N -0.74 0.10 -1.80 -0.43 0.00 -1.26 -4.97 120.51 111.40 2o9a n ALA 54 Ca 0.02 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 2o9a n ALA 54 Cb 0.82 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 2o9a n ALA 54 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2o9a s PRO 55 N -1.97 3.88 0.29 0.00 0.04 -1.26 -4.98 135.00 131.00 2o9a s PRO 55 Ca 0.63 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2o9a s PRO 55 Cb -0.57 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 31.75 2o9a s PRO 55 CO 0.57 -0.36 1.61 -0.89 0.04 0.00 0.00 177.00 177.97 2o9a n ILE 56 N -0.91 0.94 -0.11 0.56 2.08 -1.26 -0.65 119.36 120.00 2o9a n ILE 56 Ca 0.09 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2o9a n ILE 56 Cb 0.53 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2o9a n ILE 56 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2o9a n GLY 57 N 2.32 1.79 3.72 7.39 0.00 0.19 -5.01 105.19 115.59 2o9a n GLY 57 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2o9a n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o9a s GLY 58 N -1.94 2.73 -0.10 -0.02 0.00 0.17 -4.65 107.32 103.51 2o9a s GLY 58 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 44.72 45.89 2o9a s GLY 58 CO 0.00 1.58 -0.15 0.54 0.00 0.00 0.00 173.10 175.07 2o9a s LYS 59 N -3.53 3.05 -0.08 2.90 1.02 -1.26 -0.91 119.74 120.93 2o9a s LYS 59 Ca 0.81 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 2o9a s LYS 59 Cb -0.36 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2o9a s LYS 59 CO 0.42 0.34 0.04 -0.51 -0.92 0.00 0.00 175.35 174.72 2o9a s LEU 60 N 0.00 3.79 0.57 3.17 1.43 0.66 -4.92 118.68 123.38 2o9a s LEU 60 Ca -0.05 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 2o9a s LEU 60 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2o9a s LEU 60 CO 0.04 0.37 1.22 -2.16 0.23 0.00 0.00 176.35 176.05 2o9a s PRO 61 N -1.07 3.08 0.12 1.29 0.04 -1.26 -0.99 135.00 136.21 2o9a s PRO 61 Ca 0.15 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 2o9a s PRO 61 Cb -0.12 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2o9a s PRO 61 CO 0.05 -1.13 1.77 1.98 0.04 0.00 0.00 177.00 179.71 2o9a h MET 62 N 1.08 0.24 -0.02 4.56 1.85 -1.86 -3.09 114.93 117.69 2o9a h MET 62 Ca -0.50 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 2o9a h MET 62 Cb 1.29 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.27 2o9a h MET 62 CO 0.56 0.16 -0.16 -2.39 -0.40 0.00 0.00 176.91 174.68 2o9a n HIS 63 N -4.96 0.00 -0.88 1.39 1.44 -1.26 -2.51 115.22 108.44 2o9a n HIS 63 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2o9a n HIS 63 Cb 0.03 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2o9a n HIS 63 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2o9a n ALA 64 N 0.79 0.93 -2.40 1.59 0.00 -1.21 -4.63 120.51 115.59 2o9a n ALA 64 Ca 0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2o9a n ALA 64 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2o9a n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2o9a s SER 65 N -0.09 2.74 0.11 0.00 1.04 -1.17 -2.70 113.70 113.63 2o9a s SER 65 Ca 0.00 -1.12 -0.24 0.00 0.48 0.00 0.00 55.95 55.07 2o9a s SER 65 Cb 0.00 -0.16 -0.10 0.00 0.10 0.00 0.00 66.02 65.86 2o9a s SER 65 CO 0.00 -0.26 1.68 1.23 0.98 0.00 0.00 173.24 176.88 2o9a h GLY 66 N 2.38 -0.22 0.97 7.32 0.00 -1.90 -1.48 103.07 110.15 2o9a h GLY 66 Ca -0.39 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2o9a h GLY 66 CO 0.65 -0.14 -0.03 0.00 0.00 0.00 0.00 176.54 177.02 2o9a h ALA 67 N 0.65 0.58 0.03 3.60 0.00 -1.91 -0.35 119.26 121.85 2o9a h ALA 67 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2o9a h ALA 67 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2o9a h ALA 67 CO -0.09 0.39 -0.04 0.78 0.00 0.00 0.00 179.25 180.29 2o9a h GLY 68 N 0.61 -0.07 1.74 0.00 0.00 -1.69 -2.44 103.07 101.22 2o9a h GLY 68 Ca 0.12 0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 2o9a h GLY 68 CO 0.03 -0.05 -0.46 0.50 0.00 0.00 0.00 176.54 176.56 2o9a h LYS 69 N -0.09 0.28 -0.22 4.80 1.57 -0.96 -1.17 116.57 120.79 2o9a h LYS 69 Ca 0.01 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2o9a h LYS 69 Cb 0.10 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2o9a h LYS 69 CO -0.03 0.69 -0.01 0.00 -0.57 0.00 0.00 179.45 179.52 2o9a h ALA 70 N 1.29 0.18 0.23 3.86 0.00 -0.81 0.11 119.26 124.12 2o9a h ALA 70 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2o9a h ALA 70 Cb 0.90 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2o9a h ALA 70 CO 0.07 -0.44 -0.11 0.74 0.00 0.00 0.00 179.25 179.51 2o9a h PHE 71 N 0.05 -0.29 -0.86 0.00 0.04 -1.23 -3.05 116.94 111.61 2o9a h PHE 71 Ca 0.10 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.98 2o9a h PHE 71 Cb 0.14 0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 2o9a h PHE 71 CO -0.20 -0.09 0.55 1.25 -0.60 0.00 0.00 178.31 179.23 2o9a h LEU 72 N -0.43 0.69 -2.84 1.54 5.85 -1.07 -0.95 115.31 118.10 2o9a h LEU 72 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2o9a h LEU 72 Cb 0.33 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2o9a h LEU 72 CO 0.05 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2o9a h ALA 73 N 1.59 1.00 -0.00 1.25 0.00 -0.66 -2.06 119.26 120.38 2o9a h ALA 73 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2o9a h ALA 73 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2o9a h ALA 73 CO -0.17 0.00 -0.24 1.04 0.00 0.00 0.00 179.25 179.87 2o9a n GLN 74 N -3.00 0.08 -2.71 0.00 1.13 -0.36 -4.85 117.38 107.66 2o9a n GLN 74 Ca -0.03 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.74 2o9a n GLN 74 Cb 0.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.92 2o9a n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2o9a s LEU 75 N -2.94 3.63 0.81 1.08 1.43 -0.78 -5.07 118.68 116.85 2o9a s LEU 75 Ca 0.14 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2o9a s LEU 75 Cb 0.18 -3.75 0.08 0.00 0.03 0.00 0.00 46.19 42.73 2o9a s LEU 75 CO 0.60 -0.60 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 2o9a s SER 76 N -4.12 4.30 0.22 2.29 1.04 -1.26 -4.85 113.70 111.31 2o9a s SER 76 Ca 0.47 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 58.22 2o9a s SER 76 Cb -0.10 -2.18 0.25 0.00 0.10 0.00 0.00 66.02 64.08 2o9a s SER 76 CO 0.44 -2.11 1.61 -0.33 0.98 0.00 0.00 173.24 173.82 2o9a h GLU 77 N -1.19 -0.03 -0.05 4.02 4.39 -1.98 -1.23 114.58 118.52 2o9a h GLU 77 Ca -0.47 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.04 2o9a h GLU 77 Cb 1.26 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2o9a h GLU 77 CO 0.57 -0.02 -0.78 0.93 -1.16 0.00 0.00 179.01 178.55 2o9a h GLU 78 N -0.03 0.37 -0.68 2.33 4.39 -1.98 0.44 114.58 119.42 2o9a h GLU 78 Ca 0.32 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2o9a h GLU 78 Cb 0.52 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 2o9a h GLU 78 CO -0.71 0.99 0.45 1.96 -1.16 0.00 0.00 179.01 180.53 2o9a h GLN 79 N 0.24 0.88 -0.13 2.33 4.20 -1.84 -1.49 115.11 119.30 2o9a h GLN 79 Ca -0.04 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 2o9a h GLN 79 Cb 1.37 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.96 2o9a h GLN 79 CO 0.13 0.58 -0.63 0.28 -0.67 0.00 0.00 178.83 178.53 2o9a h VAL 80 N 0.91 1.32 -0.89 -0.54 2.07 -0.99 -1.89 116.25 116.23 2o9a h VAL 80 Ca 0.25 -1.88 0.17 0.00 0.82 0.00 0.00 66.70 66.05 2o9a h VAL 80 Cb -0.09 2.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 2o9a h VAL 80 CO -0.06 0.58 0.48 0.74 0.02 0.00 0.00 177.57 179.33 2o9a h THR 81 N 0.33 0.70 -0.35 2.57 2.02 -0.79 0.18 112.91 117.57 2o9a h THR 81 Ca -0.04 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 2o9a h THR 81 Cb 1.26 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2o9a h THR 81 CO 0.13 0.12 -0.16 0.11 0.37 0.00 0.00 175.52 176.09 2o9a h LYS 82 N 0.64 0.72 -0.47 6.66 1.57 -1.17 -0.72 116.57 123.80 2o9a h LYS 82 Ca 0.50 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2o9a h LYS 82 Cb 0.76 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2o9a h LYS 82 CO -0.39 0.92 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.30 2o9a h LEU 83 N 0.51 0.85 -0.95 2.94 3.38 -0.70 -2.26 115.31 119.09 2o9a h LEU 83 Ca 0.08 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2o9a h LEU 83 Cb 0.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2o9a h LEU 83 CO 0.05 0.98 -0.05 -0.07 0.09 0.00 0.00 178.44 179.44 2o9a h LEU 84 N 0.71 0.69 -1.82 1.67 3.38 -0.63 -0.80 115.31 118.50 2o9a h LEU 84 Ca 0.13 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2o9a h LEU 84 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2o9a h LEU 84 CO 0.03 0.79 0.16 0.45 0.09 0.00 0.00 178.44 179.96 2o9a h HIS 85 N 0.66 0.23 0.06 1.13 3.86 -1.00 -2.40 115.15 117.69 2o9a h HIS 85 Ca 0.12 0.01 -0.23 0.00 -1.16 0.00 0.00 60.37 59.11 2o9a h HIS 85 Cb 0.48 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2o9a h HIS 85 CO 0.02 0.14 -1.23 -0.09 0.86 0.00 0.00 177.93 177.64 2o9a h ARG 86 N 0.25 0.12 0.00 2.45 2.43 -0.82 -3.41 114.38 115.39 2o9a h ARG 86 Ca 0.10 -0.20 -0.29 0.00 -0.81 0.00 0.00 59.98 58.77 2o9a h ARG 86 Cb 0.09 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2o9a h ARG 86 CO -0.02 1.10 -2.28 1.63 -1.51 0.00 0.00 179.97 178.89 2o9a n LYS 87 N -4.17 0.76 -0.14 0.20 4.76 -0.36 -5.10 118.16 114.11 2o9a n LYS 87 Ca -0.27 -0.05 0.02 0.00 -2.87 0.00 0.00 58.31 55.15 2o9a n LYS 87 Cb 0.78 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.46 2o9a n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2o9a n GLY 88 N 1.69 -2.02 2.47 0.72 0.00 -0.90 -4.80 105.19 102.35 2o9a n GLY 88 Ca -0.27 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 2o9a n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o9a s LEU 89 N 0.00 1.75 0.22 0.99 1.43 -1.26 -4.91 118.68 116.89 2o9a s LEU 89 Ca 0.00 -2.98 -0.32 0.00 -1.03 0.00 0.00 54.13 49.80 2o9a s LEU 89 Cb 0.00 -0.58 -0.13 0.00 0.03 0.00 0.00 46.19 45.51 2o9a s LEU 89 CO 0.00 -0.19 1.59 1.57 0.23 0.00 0.00 176.35 179.55 2o9a n HIS 90 N 2.99 2.53 -3.16 0.29 -0.00 -1.26 -4.79 115.22 111.82 2o9a n HIS 90 Ca 0.25 0.23 -0.43 0.00 -0.00 0.00 0.00 57.72 57.76 2o9a n HIS 90 Cb 0.44 -2.58 -0.07 0.00 -0.00 0.00 0.00 29.99 27.78 2o9a n HIS 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2o9a s ALA 91 N 0.60 3.38 0.15 1.57 0.00 -1.26 -4.90 121.76 121.30 2o9a s ALA 91 Ca 0.72 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2o9a s ALA 91 Cb -0.58 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 2o9a s ALA 91 CO 0.41 -1.90 1.35 1.88 0.00 0.00 0.00 175.76 177.50 2o9a h TYR 92 N 8.93 0.39 -3.81 0.00 0.05 -1.88 -3.48 116.97 117.18 2o9a h TYR 92 Ca -0.27 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.21 2o9a h TYR 92 Cb 1.10 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 38.69 2o9a h TYR 92 CO 0.73 1.03 -0.20 0.95 -1.05 0.00 0.00 178.16 179.62 2o9a s THR 93 N -3.21 0.00 -0.36 -2.88 -4.23 -1.26 -4.89 115.64 98.81 2o9a s THR 93 Ca -0.04 -1.50 0.21 0.00 -1.18 0.00 0.00 61.69 59.18 2o9a s THR 93 Cb 0.10 -2.25 0.22 0.00 1.34 0.00 0.00 72.50 71.91 2o9a s THR 93 CO 0.84 -0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.57 2o9a n HIS 94 N -0.36 0.72 0.60 3.99 1.44 -1.26 -2.69 115.22 117.66 2o9a n HIS 94 Ca -0.01 0.34 0.11 0.00 -2.01 0.00 0.00 57.72 56.15 2o9a n HIS 94 Cb 0.63 -1.04 0.04 0.00 0.12 0.00 0.00 29.99 29.74 2o9a n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2o9a n ALA 95 N -1.76 3.40 -1.62 1.59 0.00 -1.26 -4.97 120.51 115.89 2o9a n ALA 95 Ca 0.00 -0.39 -0.44 0.00 0.00 0.00 0.00 53.44 52.61 2o9a n ALA 95 Cb 0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2o9a n ALA 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2o9a n THR 96 N -1.94 2.05 -2.84 0.00 -1.04 -1.10 -4.75 114.28 104.66 2o9a n THR 96 Ca 0.02 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 2o9a n THR 96 Cb 0.43 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 2o9a n THR 96 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2o9a s LEU 97 N 0.01 4.07 0.00 -4.42 1.43 -1.26 -4.83 118.68 113.68 2o9a s LEU 97 Ca 0.58 -0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2o9a s LEU 97 Cb -0.65 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 2o9a s LEU 97 CO 0.60 -1.11 0.52 1.33 0.23 0.00 0.00 176.35 177.92 2o9a n VAL 98 N 6.30 0.00 -3.33 -1.59 0.24 -1.26 -4.87 118.33 113.83 2o9a n VAL 98 Ca 0.04 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.34 61.66 2o9a n VAL 98 Cb 0.48 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 2o9a n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2o9a s SER 99 N -1.83 6.51 0.27 -1.34 0.15 -1.26 -4.87 113.70 111.33 2o9a s SER 99 Ca 0.06 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2o9a s SER 99 Cb 0.08 -2.26 0.58 0.00 -1.71 0.00 0.00 66.02 62.72 2o9a s SER 99 CO 0.39 -0.11 1.76 -0.65 1.20 0.00 0.00 173.24 175.83 2o9a h PRO 100 N 7.33 0.60 -0.45 5.44 0.11 -1.99 0.31 132.00 143.35 2o9a h PRO 100 Ca -0.36 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 2o9a h PRO 100 Cb 1.16 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2o9a h PRO 100 CO 0.73 0.40 0.15 -0.24 -0.21 0.00 0.00 178.00 178.83 2o9a h VAL 101 N 0.62 1.22 -0.42 3.15 3.04 -1.99 0.11 116.25 121.97 2o9a h VAL 101 Ca 0.49 -0.72 -0.03 0.00 -1.01 0.00 0.00 66.70 65.43 2o9a h VAL 101 Cb 0.73 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 2o9a h VAL 101 CO -0.38 0.26 0.13 0.45 -1.01 0.00 0.00 177.57 177.02 2o9a h HIS 102 N 0.60 0.68 0.24 3.17 3.86 -1.79 -0.52 115.15 121.39 2o9a h HIS 102 Ca 0.15 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2o9a h HIS 102 Cb 0.25 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2o9a h HIS 102 CO 0.01 0.63 -0.13 1.25 0.86 0.00 0.00 177.93 180.55 2o9a h LEU 103 N 0.55 -0.31 -1.21 2.43 5.85 -0.79 -1.69 115.31 120.13 2o9a h LEU 103 Ca 0.14 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2o9a h LEU 103 Cb 0.26 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2o9a h LEU 103 CO -0.00 -0.21 0.52 0.11 -0.34 0.00 0.00 178.44 178.51 2o9a h LYS 104 N -0.35 1.05 -0.39 1.25 1.57 -0.68 -0.06 116.57 118.96 2o9a h LYS 104 Ca -0.03 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2o9a h LYS 104 Cb 0.27 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2o9a h LYS 104 CO 0.04 0.70 0.18 1.49 -0.57 0.00 0.00 179.45 181.29 2o9a h GLU 105 N 1.08 0.37 -0.90 3.15 4.57 -0.92 -1.07 114.58 120.86 2o9a h GLU 105 Ca 0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 2o9a h GLU 105 Cb -0.12 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 2o9a h GLU 105 CO -0.06 0.24 0.48 0.22 -1.18 0.00 0.00 179.01 178.71 2o9a h ASP 106 N 0.38 1.13 -0.70 1.04 3.58 -0.32 -1.19 116.42 120.34 2o9a h ASP 106 Ca 0.17 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2o9a h ASP 106 Cb 0.08 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2o9a h ASP 106 CO -0.12 0.92 0.39 -0.07 -2.88 0.00 0.00 179.24 177.47 2o9a h LEU 107 N 1.26 0.88 -0.23 2.28 3.38 -0.83 0.29 115.31 122.33 2o9a h LEU 107 Ca 0.31 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2o9a h LEU 107 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2o9a h LEU 107 CO -0.05 0.72 0.11 0.00 0.09 0.00 0.00 178.44 179.31 2o9a h ALA 108 N 1.19 0.28 -0.40 1.53 0.00 -0.82 -1.28 119.26 119.76 2o9a h ALA 108 Ca 0.25 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2o9a h ALA 108 Cb 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2o9a h ALA 108 CO -0.04 -0.29 0.02 1.96 0.00 0.00 0.00 179.25 180.89 2o9a h GLN 109 N 0.24 0.13 -0.39 0.00 4.20 -1.04 -2.17 115.11 116.07 2o9a h GLN 109 Ca 0.10 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.86 2o9a h GLN 109 Cb 0.03 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2o9a h GLN 109 CO -0.07 0.08 0.08 1.15 -0.67 0.00 0.00 178.83 179.41 2o9a h THR 110 N 0.13 0.80 -0.74 -0.54 2.02 -0.47 0.16 112.91 114.27 2o9a h THR 110 Ca 0.20 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 2o9a h THR 110 Cb 0.27 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2o9a h THR 110 CO -0.31 0.04 0.45 0.03 0.37 0.00 0.00 175.52 176.10 2o9a h ARG 111 N 0.21 1.00 -0.36 6.66 3.08 -1.09 -0.42 114.38 123.47 2o9a h ARG 111 Ca 0.19 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2o9a h ARG 111 Cb 0.22 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2o9a h ARG 111 CO -0.24 0.70 0.09 -0.22 -1.07 0.00 0.00 179.97 179.22 2o9a h LYS 112 N 1.01 0.58 0.00 0.04 3.64 -0.60 -3.20 116.57 118.04 2o9a h LYS 112 Ca 0.27 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2o9a h LYS 112 Cb -0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2o9a h LYS 112 CO -0.05 0.62 -0.83 2.89 -2.27 0.00 0.00 179.45 179.81 2o9a n ARG 113 N -4.60 0.36 -0.46 1.90 1.85 0.44 -4.96 116.66 111.20 2o9a n ARG 113 Ca -0.01 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2o9a n ARG 113 Cb 0.20 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 2o9a n ARG 113 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2o9a n GLY 114 N 1.31 0.74 3.16 2.89 0.00 -0.18 -5.01 105.19 108.10 2o9a n GLY 114 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2o9a n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2o9a s TYR 115 N -2.67 -0.08 0.42 1.61 -0.85 -1.16 -4.75 117.35 109.87 2o9a s TYR 115 Ca 0.00 0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.61 2o9a s TYR 115 Cb 0.00 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 2o9a s TYR 115 CO 0.00 -0.30 0.70 -1.54 -1.52 0.00 0.00 175.55 172.88 2o9a s SER 116 N -1.18 6.32 -0.14 -0.18 1.04 0.31 -4.49 113.70 115.38 2o9a s SER 116 Ca -0.12 0.80 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 2o9a s SER 116 Cb -0.06 -2.19 0.06 0.00 0.10 0.00 0.00 66.02 63.93 2o9a s SER 116 CO 0.02 -0.44 0.13 0.12 0.98 0.00 0.00 173.24 174.05 2o9a s PHE 117 N -2.52 -0.00 -0.46 5.02 5.36 -1.26 -1.73 117.98 122.39 2o9a s PHE 117 Ca 0.45 0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 2o9a s PHE 117 Cb -0.10 -0.51 0.04 0.00 -0.34 0.00 0.00 43.02 42.11 2o9a s PHE 117 CO 0.40 -0.44 0.60 0.34 -1.46 0.00 0.00 175.22 174.66 2o9a s ASP 118 N 2.21 6.26 -1.01 6.13 2.15 0.86 -4.90 116.67 128.37 2o9a s ASP 118 Ca 0.04 -0.62 -0.05 0.00 0.43 0.00 0.00 52.55 52.35 2o9a s ASP 118 Cb -0.15 -2.29 0.27 0.00 -0.30 0.00 0.00 42.92 40.45 2o9a s ASP 118 CO -0.08 -0.79 1.07 -0.67 -0.17 0.00 0.00 175.17 174.53 2o9a n ASP 119 N 6.12 5.20 -2.72 -0.34 -0.08 -1.26 -1.47 116.55 122.00 2o9a n ASP 119 Ca -0.04 -3.18 -0.20 0.00 -1.51 0.00 0.00 54.79 49.85 2o9a n ASP 119 Cb 0.47 -1.21 0.01 0.00 2.34 0.00 0.00 41.12 42.73 2o9a n ASP 119 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2o9a n GLU 120 N 2.12 -3.08 0.11 -0.67 1.02 -0.62 -4.89 120.64 114.64 2o9a n GLU 120 Ca 0.24 0.85 0.07 0.00 -0.02 0.00 0.00 57.16 58.30 2o9a n GLU 120 Cb 0.37 -5.58 0.01 0.00 -0.02 0.00 0.00 31.44 26.22 2o9a n GLU 120 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2o9a h GLU 121 N -0.58 0.00 0.01 3.49 5.08 -1.81 -3.39 114.58 117.38 2o9a h GLU 121 Ca -0.47 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.51 2o9a h GLU 121 Cb 1.33 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2o9a h GLU 121 CO 0.53 0.17 -2.46 1.58 -1.00 0.00 0.00 179.01 177.84 2o9a n HIS 122 N -2.91 0.05 -3.70 4.33 -0.00 -1.10 -4.26 115.22 107.64 2o9a n HIS 122 Ca -0.02 0.01 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2o9a n HIS 122 Cb 0.66 -1.01 -0.09 0.00 -0.12 0.00 0.00 29.99 29.44 2o9a n HIS 122 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2o9a s ALA 123 N -2.52 -1.12 0.29 1.57 0.00 -1.26 -4.72 121.76 114.00 2o9a s ALA 123 Ca -0.34 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2o9a s ALA 123 Cb 0.09 -0.36 -0.12 0.00 0.00 0.00 0.00 23.12 22.73 2o9a s ALA 123 CO 0.61 -0.26 1.56 1.28 0.00 0.00 0.00 175.76 178.96 2o9a n LEU 124 N 2.02 4.18 0.00 0.00 4.32 -1.26 -2.17 117.00 124.09 2o9a n LEU 124 Ca -0.17 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 2o9a n LEU 124 Cb 0.57 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 2o9a n LEU 124 CO 0.17 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 2o9a n GLY 125 N 2.08 1.59 3.48 -0.72 0.00 -1.26 -5.01 105.19 105.34 2o9a n GLY 125 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2o9a n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2o9a s LEU 126 N 0.00 3.28 0.11 0.99 2.96 -0.92 -0.83 118.68 124.28 2o9a s LEU 126 Ca 0.00 -0.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.86 2o9a s LEU 126 Cb 0.00 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2o9a s LEU 126 CO 0.00 0.12 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.77 2o9a s ARG 127 N 0.69 1.55 0.01 1.98 0.52 0.51 -1.59 118.95 122.62 2o9a s ARG 127 Ca -0.01 -1.27 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 2o9a s ARG 127 Cb -0.14 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 2o9a s ARG 127 CO 0.02 0.47 0.08 0.00 0.02 0.00 0.00 175.30 175.88 2o9a s LEU 129 N -1.42 1.95 0.06 0.00 1.02 -0.46 -0.10 118.68 119.72 2o9a s LEU 129 Ca -0.15 -0.31 -0.06 0.00 0.02 0.00 0.00 54.13 53.63 2o9a s LEU 129 Cb -0.08 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.24 2o9a s LEU 129 CO 0.01 0.16 0.10 0.00 0.02 0.00 0.00 176.35 176.64 2o9a s ALA 130 N -0.12 0.01 -0.03 4.21 0.00 -0.70 -0.86 121.76 124.26 2o9a s ALA 130 Ca 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2o9a s ALA 130 Cb -0.09 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2o9a s ALA 130 CO 0.01 -0.39 0.19 0.00 0.00 0.00 0.00 175.76 175.57 2o9a s ALA 131 N -3.26 -0.46 0.55 0.00 0.00 -0.52 -0.53 121.76 117.55 2o9a s ALA 131 Ca 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 2o9a s ALA 131 Cb 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2o9a s ALA 131 CO -0.08 -0.17 0.99 0.00 0.00 0.00 0.00 175.76 176.50 2o9a s ILE 133 N -2.87 2.95 0.07 0.00 1.01 0.15 -4.72 121.20 117.79 2o9a s ILE 133 Ca 0.56 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2o9a s ILE 133 Cb -0.10 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2o9a s ILE 133 CO 0.42 0.56 -0.23 -0.36 0.00 0.00 0.00 174.94 175.33 2o9a s PHE 134 N -0.11 2.42 0.09 3.97 0.40 -1.26 -0.58 117.98 122.91 2o9a s PHE 134 Ca -0.02 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2o9a s PHE 134 Cb -0.14 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.02 2o9a s PHE 134 CO 0.04 0.23 0.12 -0.40 0.70 0.00 0.00 175.22 175.91 2o9a n ASP 135 N 1.44 0.16 0.15 1.36 3.85 -0.62 -4.76 116.55 118.14 2o9a n ASP 135 Ca -0.17 -1.14 0.13 0.00 -0.71 0.00 0.00 54.79 52.90 2o9a n ASP 135 Cb 0.52 -0.08 0.51 0.00 -1.35 0.00 0.00 41.12 40.73 2o9a n ASP 135 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2o9a h GLU 136 N 0.00 0.00 -0.64 0.11 9.09 -1.93 -2.52 114.58 118.69 2o9a h GLU 136 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 2o9a h GLU 136 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2o9a h GLU 136 CO 0.04 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.82 2o9a n HIS 137 N -2.38 1.60 -2.56 2.06 8.25 -1.26 -4.92 115.22 116.01 2o9a n HIS 137 Ca 0.02 -0.59 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 2o9a n HIS 137 Cb 0.26 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 2o9a n HIS 137 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2o9a n ARG 138 N 0.77 -2.55 -2.87 -0.41 5.12 -0.95 -4.98 116.66 110.78 2o9a n ARG 138 Ca 0.24 0.39 -0.41 0.00 -1.93 0.00 0.00 57.85 56.14 2o9a n ARG 138 Cb 0.95 -4.96 -0.04 0.00 -1.16 0.00 0.00 32.46 27.25 2o9a n ARG 138 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2o9a s GLU 139 N -5.12 4.54 -0.40 5.56 0.41 -1.26 -4.83 118.70 117.59 2o9a s GLU 139 Ca 0.04 1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 55.51 2o9a s GLU 139 Cb -0.02 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.93 2o9a s GLU 139 CO 0.05 0.12 1.23 -1.25 -0.49 0.00 0.00 175.26 174.92 2o9a s PRO 140 N 0.46 3.78 0.00 0.39 0.04 -1.26 -1.58 135.00 136.82 2o9a s PRO 140 Ca 0.44 0.87 0.18 0.00 0.04 0.00 0.00 61.00 62.52 2o9a s PRO 140 Cb -0.21 -3.90 -0.16 0.00 0.04 0.00 0.00 34.50 30.27 2o9a s PRO 140 CO 0.25 -1.30 0.78 1.97 0.04 0.00 0.00 177.00 178.74 2o9a n PHE 141 N 7.89 0.00 -3.92 0.56 1.16 0.26 -4.89 117.46 118.53 2o9a n PHE 141 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.63 2o9a n PHE 141 Cb 0.48 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.31 2o9a n PHE 141 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2o9a s ALA 142 N -2.58 -0.68 -0.04 1.98 0.00 -1.18 -4.45 121.76 114.80 2o9a s ALA 142 Ca 0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 2o9a s ALA 142 Cb 0.14 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.23 2o9a s ALA 142 CO 0.68 -0.91 0.13 0.00 0.00 0.00 0.00 175.76 175.66 2o9a s ALA 143 N -3.96 -0.33 -0.11 0.00 0.00 0.03 0.32 121.76 117.71 2o9a s ALA 143 Ca 0.17 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2o9a s ALA 143 Cb -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2o9a s ALA 143 CO 0.07 -0.09 0.09 0.42 0.00 0.00 0.00 175.76 176.25 2o9a s ILE 144 N -0.17 5.05 0.11 0.00 1.01 -0.26 -0.90 121.20 126.05 2o9a s ILE 144 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2o9a s ILE 144 Cb -0.02 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2o9a s ILE 144 CO 0.00 0.61 -0.19 -0.94 0.00 0.00 0.00 174.94 174.42 2o9a s SER 145 N -0.91 2.42 -0.15 3.58 1.04 -0.29 -1.44 113.70 117.95 2o9a s SER 145 Ca 0.14 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 2o9a s SER 145 Cb -0.12 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 2o9a s SER 145 CO 0.03 0.00 -0.06 -0.63 0.98 0.00 0.00 173.24 173.57 2o9a s ILE 146 N -1.46 3.72 -0.03 -1.02 1.01 -0.04 -0.75 121.20 122.65 2o9a s ILE 146 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2o9a s ILE 146 Cb -0.09 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2o9a s ILE 146 CO 0.04 0.50 -0.01 -0.44 0.00 0.00 0.00 174.94 175.04 2o9a s SER 147 N 0.35 0.50 0.10 3.58 0.01 -0.16 -1.36 113.70 116.72 2o9a s SER 147 Ca -0.06 -0.05 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 2o9a s SER 147 Cb -0.15 -0.25 0.08 0.00 0.21 0.00 0.00 66.02 65.92 2o9a s SER 147 CO 0.04 -0.08 1.13 -0.83 0.41 0.00 0.00 173.24 173.91 2o9a s GLY 148 N 0.93 -0.00 0.50 3.44 0.00 -0.22 -3.40 107.32 108.57 2o9a s GLY 148 Ca -0.10 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 2o9a s GLY 148 CO -0.01 3.38 1.01 2.56 0.00 0.00 0.00 173.10 180.04 2o9a s PRO 149 N -2.16 3.82 0.64 2.90 0.04 -1.26 -0.36 135.00 138.62 2o9a s PRO 149 Ca 0.24 1.18 0.41 0.00 0.04 0.00 0.00 61.00 62.87 2o9a s PRO 149 Cb -0.01 -2.11 2.16 0.00 0.04 0.00 0.00 34.50 34.58 2o9a s PRO 149 CO 0.03 -0.39 2.28 -0.84 0.04 0.00 0.00 177.00 178.12 2o9a h ILE 150 N 1.23 0.04 0.00 0.56 3.07 -1.23 -0.21 117.51 120.98 2o9a h ILE 150 Ca -0.48 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2o9a h ILE 150 Cb 1.20 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2o9a h ILE 150 CO 0.60 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.47 2o9a h SER 151 N 0.00 0.00 0.00 2.16 4.64 -1.92 -3.33 113.55 115.10 2o9a h SER 151 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2o9a h SER 151 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2o9a h SER 151 CO 0.00 0.00 -1.13 0.54 -0.87 0.00 0.00 176.83 175.37 2o9a n ARG 152 N -2.53 1.51 -2.77 4.77 1.74 -0.66 -4.76 116.66 113.97 2o9a n ARG 152 Ca 0.02 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.68 2o9a n ARG 152 Cb 0.31 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2o9a n ARG 152 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2o9a n ILE 153 N -2.37 4.20 -2.70 0.55 5.41 -0.18 -4.97 119.36 119.29 2o9a n ILE 153 Ca -0.04 -4.53 -0.26 0.00 1.00 0.00 0.00 62.75 58.92 2o9a n ILE 153 Cb 0.55 -2.44 0.01 0.00 -0.71 0.00 0.00 39.64 37.06 2o9a n ILE 153 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2o9a s THR 154 N 1.85 4.20 0.32 1.39 -4.23 -1.26 -4.57 115.64 113.35 2o9a s THR 154 Ca 0.44 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.88 2o9a s THR 154 Cb 0.01 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.54 2o9a s THR 154 CO 0.01 -0.54 1.87 0.44 -0.54 0.00 0.00 174.62 175.86 2o9a h ASP 155 N 0.16 0.79 0.62 3.99 3.32 -1.94 0.26 116.42 123.62 2o9a h ASP 155 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2o9a h ASP 155 Cb 1.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2o9a h ASP 155 CO 0.60 0.43 0.00 -0.90 -1.72 0.00 0.00 179.24 177.65 2o9a n ASP 156 N -4.56 0.67 -0.55 6.45 5.75 -1.26 -2.68 116.55 120.36 2o9a n ASP 156 Ca 0.17 0.68 0.09 0.00 -0.01 0.00 0.00 54.79 55.72 2o9a n ASP 156 Cb 0.37 -0.82 0.03 0.00 -1.03 0.00 0.00 41.12 39.68 2o9a n ASP 156 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2o9a n ARG 157 N -2.26 1.58 -0.12 0.11 1.74 0.07 -4.69 116.66 113.10 2o9a n ARG 157 Ca 0.02 -1.19 -0.09 0.00 -0.77 0.00 0.00 57.85 55.81 2o9a n ARG 157 Cb 0.20 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 2o9a n ARG 157 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2o9a h VAL 158 N 2.71 1.16 -0.83 1.55 2.07 -1.44 0.20 116.25 121.67 2o9a h VAL 158 Ca 0.00 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2o9a h VAL 158 Cb 0.68 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2o9a h VAL 158 CO 0.00 0.16 0.38 0.74 0.02 0.00 0.00 177.57 178.87 2o9a h THR 159 N 0.46 1.26 -0.30 2.57 2.02 -1.84 0.14 112.91 117.22 2o9a h THR 159 Ca 0.13 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 2o9a h THR 159 Cb 0.09 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2o9a h THR 159 CO -0.02 0.32 0.05 -0.08 0.37 0.00 0.00 175.52 176.16 2o9a h GLU 160 N 1.19 0.49 -1.00 6.66 4.81 -1.72 -1.08 114.58 123.94 2o9a h GLU 160 Ca 0.28 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2o9a h GLU 160 Cb 0.15 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 2o9a h GLU 160 CO -0.03 0.59 0.66 0.74 -0.73 0.00 0.00 179.01 180.24 2o9a h PHE 161 N 0.31 1.23 -0.62 0.92 0.04 -0.58 -2.04 116.94 116.20 2o9a h PHE 161 Ca 0.09 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2o9a h PHE 161 Cb 0.34 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2o9a h PHE 161 CO 0.02 0.70 0.31 0.78 -0.60 0.00 0.00 178.31 179.52 2o9a h GLY 162 N 1.26 0.94 0.89 -1.45 0.00 -0.29 -1.66 103.07 102.76 2o9a h GLY 162 Ca 0.40 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2o9a h GLY 162 CO -0.13 0.44 0.66 0.00 0.00 0.00 0.00 176.54 177.50 2o9a h ALA 163 N 1.13 1.34 -0.26 3.60 0.00 -0.81 -1.01 119.26 123.26 2o9a h ALA 163 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2o9a h ALA 163 Cb 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2o9a h ALA 163 CO -0.03 0.56 0.00 0.52 0.00 0.00 0.00 179.25 180.31 2o9a h MET 164 N 1.28 0.45 -0.28 0.00 2.07 -0.85 -1.73 114.93 115.87 2o9a h MET 164 Ca 0.40 -0.14 -0.12 0.00 -2.07 0.00 0.00 59.70 57.77 2o9a h MET 164 Cb -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.67 2o9a h MET 164 CO -0.12 0.61 -0.32 -0.24 1.07 0.00 0.00 176.91 177.91 2o9a h VAL 165 N 0.23 1.28 -0.51 -2.22 3.04 -1.09 -1.94 116.25 115.04 2o9a h VAL 165 Ca 0.07 -1.44 0.07 0.00 -1.01 0.00 0.00 66.70 64.40 2o9a h VAL 165 Cb 0.41 1.41 -0.06 0.00 -2.01 0.00 0.00 31.29 31.04 2o9a h VAL 165 CO 0.01 0.46 0.18 0.40 -1.01 0.00 0.00 177.57 177.61 2o9a h ILE 166 N 0.51 0.82 -0.38 3.17 2.04 -1.02 -0.98 117.51 121.67 2o9a h ILE 166 Ca 0.06 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 2o9a h ILE 166 Cb 0.80 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2o9a h ILE 166 CO 0.07 0.06 -0.37 0.50 0.00 0.00 0.00 178.15 178.41 2o9a h LYS 167 N 0.36 0.92 -0.29 2.37 3.64 -0.94 -0.19 116.57 122.44 2o9a h LYS 167 Ca 0.24 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2o9a h LYS 167 Cb 0.26 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2o9a h LYS 167 CO -0.25 1.14 0.12 0.00 -2.27 0.00 0.00 179.45 178.18 2o9a h ALA 168 N 0.77 0.37 -0.59 5.00 0.00 -1.10 -1.24 119.26 122.47 2o9a h ALA 168 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2o9a h ALA 168 Cb 0.96 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2o9a h ALA 168 CO 0.09 -0.03 0.24 0.00 0.00 0.00 0.00 179.25 179.55 2o9a h ALA 169 N 0.96 0.76 -0.49 0.00 0.00 -1.07 -2.26 119.26 117.16 2o9a h ALA 169 Ca 0.10 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2o9a h ALA 169 Cb 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2o9a h ALA 169 CO -0.01 0.36 0.16 -0.22 0.00 0.00 0.00 179.25 179.55 2o9a h LYS 170 N 0.81 0.32 -0.68 0.00 3.64 -0.89 -0.85 116.57 118.92 2o9a h LYS 170 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2o9a h LYS 170 Cb 0.19 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2o9a h LYS 170 CO -0.02 0.21 0.43 0.93 -2.27 0.00 0.00 179.45 178.73 2o9a h GLU 171 N 0.33 0.91 -0.36 1.90 5.08 -0.67 0.12 114.58 121.88 2o9a h GLU 171 Ca 0.24 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2o9a h GLU 171 Cb 0.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2o9a h GLU 171 CO -0.25 0.62 -0.26 0.28 -1.00 0.00 0.00 179.01 178.40 2o9a h VAL 172 N 0.93 1.28 -0.55 3.13 2.07 -0.95 0.66 116.25 122.83 2o9a h VAL 172 Ca 0.25 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2o9a h VAL 172 Cb -0.07 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2o9a h VAL 172 CO -0.05 0.47 0.31 0.74 0.02 0.00 0.00 177.57 179.06 2o9a h THR 173 N 0.61 1.18 -0.22 2.57 2.02 -0.65 0.86 112.91 119.27 2o9a h THR 173 Ca 0.07 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2o9a h THR 173 Cb 0.83 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2o9a h THR 173 CO 0.07 0.19 0.12 -0.07 0.37 0.00 0.00 175.52 176.20 2o9a h LEU 174 N 0.74 0.28 -0.29 2.58 3.38 -0.73 -0.84 115.31 120.43 2o9a h LEU 174 Ca 0.19 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2o9a h LEU 174 Cb 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2o9a h LEU 174 CO -0.03 0.28 -0.02 0.00 0.09 0.00 0.00 178.44 178.76 2o9a h ALA 175 N 1.01 0.24 -0.39 1.53 0.00 -0.55 0.37 119.26 121.46 2o9a h ALA 175 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2o9a h ALA 175 Cb 0.06 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2o9a h ALA 175 CO -0.01 -0.43 0.12 -0.92 0.00 0.00 0.00 179.25 178.01 2o9a h TYR 176 N 0.06 0.21 -0.99 0.00 3.20 -0.75 -1.95 116.97 116.76 2o9a h TYR 176 Ca 0.14 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.15 2o9a h TYR 176 Cb 0.19 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 2o9a h TYR 176 CO -0.23 0.07 0.62 0.78 -1.64 0.00 0.00 178.16 177.76 2o9a h GLY 177 N 0.27 1.61 0.95 1.82 0.00 -0.38 0.16 103.07 107.51 2o9a h GLY 177 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2o9a h GLY 177 CO -0.20 0.15 -0.08 -1.33 0.00 0.00 0.00 176.54 175.07 2o9a h GLY 178 N 0.97 0.77 1.43 4.60 0.00 -0.47 -3.23 103.07 107.14 2o9a h GLY 178 Ca 0.49 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 2o9a h GLY 178 CO -0.27 0.57 -1.05 0.00 0.00 0.00 0.00 176.54 175.80 2o9a h MET 179 N 0.51 0.00 0.00 4.80 -0.00 -0.96 -3.51 114.93 115.76 2o9a h MET 179 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.79 2o9a h MET 179 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2o9a h MET 179 CO 0.04 0.41 0.00 0.54 -0.00 0.00 0.00 176.91 177.89