#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2o s PRO 9 N 0.00 3.67 0.02 1.61 0.02 -1.26 -4.97 135.00 134.09 3g2o s PRO 9 Ca 0.00 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 3g2o s PRO 9 Cb 0.00 -2.09 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 3g2o s PRO 9 CO 0.00 -0.51 1.75 0.08 -0.33 0.00 0.00 177.00 177.99 3g2o s VAL 10 N -2.51 3.19 -0.78 3.83 1.01 -1.26 -4.96 120.40 118.93 3g2o s VAL 10 Ca 0.61 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 3g2o s VAL 10 Cb -0.13 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.13 3g2o s VAL 10 CO 0.33 -0.02 0.88 -0.60 0.00 0.00 0.00 175.10 175.69 3g2o s ARG 11 N 3.67 3.39 0.50 2.72 3.52 -1.26 -4.72 118.95 126.76 3g2o s ARG 11 Ca 0.78 -1.76 -0.16 0.00 -0.13 0.00 0.00 55.73 54.47 3g2o s ARG 11 Cb -0.39 -4.54 -0.08 0.00 -1.56 0.00 0.00 34.95 28.39 3g2o s ARG 11 CO 0.34 -1.57 0.95 0.95 -0.81 0.00 0.00 175.30 175.17 3g2o s THR 12 N 2.08 4.57 0.25 4.11 -4.23 -1.26 -4.83 115.64 116.32 3g2o s THR 12 Ca 0.21 1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 61.82 3g2o s THR 12 Cb -0.13 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.21 3g2o s THR 12 CO -0.03 -0.66 1.71 -0.65 -0.54 0.00 0.00 174.62 174.45 3g2o h PRO 13 N 0.99 0.36 -0.13 3.99 0.11 -1.99 0.23 132.00 135.56 3g2o h PRO 13 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3g2o h PRO 13 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3g2o h PRO 13 CO 0.62 0.24 -0.39 1.25 -0.21 0.00 0.00 178.00 179.50 3g2o h HIS 14 N 0.37 0.33 -0.40 0.65 2.76 -2.00 -2.79 115.15 114.07 3g2o h HIS 14 Ca 0.42 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 58.40 3g2o h HIS 14 Cb 0.68 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3g2o h HIS 14 CO -0.20 0.64 -0.15 0.00 -1.30 0.00 0.00 177.93 176.91 3g2o h ALA 15 N 1.35 0.55 -0.38 5.26 0.00 -1.52 -2.30 119.26 122.23 3g2o h ALA 15 Ca 0.02 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.66 3g2o h ALA 15 Cb 0.80 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3g2o h ALA 15 CO 0.06 0.47 -0.05 -0.44 0.00 0.00 0.00 179.25 179.29 3g2o h ASP 16 N 0.61 -0.26 -0.09 0.00 3.32 -0.40 -1.00 116.42 118.60 3g2o h ASP 16 Ca 0.09 0.10 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 3g2o h ASP 16 Cb 0.70 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3g2o h ASP 16 CO 0.05 -0.09 -0.71 0.58 -1.72 0.00 0.00 179.24 177.35 3g2o h VAL 17 N 0.04 1.30 0.47 -1.35 2.07 -1.53 -2.33 116.25 114.92 3g2o h VAL 17 Ca 0.18 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3g2o h VAL 17 Cb 0.27 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3g2o h VAL 17 CO -0.35 0.61 -0.35 -0.07 0.02 0.00 0.00 177.57 177.42 3g2o h LEU 18 N 0.51 -0.92 -0.94 2.57 3.38 -1.16 -1.69 115.31 117.05 3g2o h LEU 18 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g2o h LEU 18 Cb 1.32 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 42.32 3g2o h LEU 18 CO 0.14 -0.53 0.60 -0.07 0.09 0.00 0.00 178.44 178.68 3g2o h LEU 19 N -0.81 1.10 -0.47 1.67 3.38 -1.23 -2.30 115.31 116.65 3g2o h LEU 19 Ca -0.05 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3g2o h LEU 19 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3g2o h LEU 19 CO 0.01 0.82 0.27 0.00 0.09 0.00 0.00 178.44 179.62 3g2o h ALA 20 N 1.33 0.60 -0.25 1.53 0.00 -1.35 -1.46 119.26 119.66 3g2o h ALA 20 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g2o h ALA 20 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3g2o h ALA 20 CO -0.07 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 3g2o n SER 21 N -4.84 2.65 0.00 0.00 3.41 -0.64 -3.68 113.62 110.51 3g2o n SER 21 Ca 0.03 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 3g2o n SER 21 Cb 0.08 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3g2o n SER 21 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3g2o n VAL 22 N 0.28 0.00 0.00 -3.33 3.14 -0.96 -5.04 118.33 112.43 3g2o n VAL 22 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 3g2o n VAL 22 Cb 0.55 0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 3g2o n VAL 22 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g2o n GLY 23 N 1.22 2.08 0.12 7.55 0.00 -0.58 -3.62 105.19 111.96 3g2o n GLY 23 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 3g2o n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g2o h GLU 24 N 0.00 0.00 0.00 1.61 3.07 -1.95 -3.30 114.58 114.01 3g2o h GLU 24 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3g2o h GLU 24 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3g2o h GLU 24 CO 0.00 0.13 0.00 0.00 -1.40 0.00 0.00 179.01 177.74 3g2o h ARG 25 N 0.00 0.00 -6.57 2.33 3.08 -1.89 -3.46 114.38 107.87 3g2o h ARG 25 Ca -0.05 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.47 3g2o h ARG 25 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.29 3g2o h ARG 25 CO 0.02 0.00 0.60 0.20 -1.07 0.00 0.00 179.97 179.72 3g2o s GLY 26 N -3.83 2.41 -0.10 0.04 0.00 -1.24 -0.61 107.32 104.00 3g2o s GLY 26 Ca 0.04 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.73 3g2o s GLY 26 CO 0.50 2.04 -0.12 0.14 0.00 0.00 0.00 173.10 175.66 3g2o s VAL 27 N 0.62 1.25 -0.22 1.40 1.01 0.14 -4.92 120.40 119.68 3g2o s VAL 27 Ca 0.58 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3g2o s VAL 27 Cb -0.33 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3g2o s VAL 27 CO 0.33 0.39 0.04 -0.22 0.00 0.00 0.00 175.10 175.64 3g2o s LEU 28 N 1.10 3.40 0.04 3.92 2.96 -1.26 0.91 118.68 129.75 3g2o s LEU 28 Ca -0.06 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3g2o s LEU 28 Cb -0.14 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3g2o s LEU 28 CO -0.02 0.03 0.07 0.00 -1.32 0.00 0.00 176.35 175.11 3g2o s ASP 30 N -2.09 5.80 0.53 0.00 2.15 -1.26 -2.45 116.67 119.35 3g2o s ASP 30 Ca -0.05 2.63 0.21 0.00 0.43 0.00 0.00 52.55 55.77 3g2o s ASP 30 Cb -0.02 -2.63 1.35 0.00 -0.30 0.00 0.00 42.92 41.32 3g2o s ASP 30 CO -0.04 -1.19 2.06 0.15 -0.17 0.00 0.00 175.17 175.97 3g2o h PHE 31 N 1.98 0.00 -2.12 -5.34 3.57 -1.10 -3.27 116.94 110.65 3g2o h PHE 31 Ca -0.50 0.00 -0.79 0.00 3.53 0.00 0.00 57.97 60.21 3g2o h PHE 31 Cb 1.27 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 39.75 3g2o h PHE 31 CO 0.50 0.00 1.10 0.66 -2.23 0.00 0.00 178.31 178.34 3g2o n TYR 32 N -4.44 2.80 0.00 0.41 4.01 -1.26 -4.76 117.16 113.92 3g2o n TYR 32 Ca 0.04 -2.50 0.00 0.00 -0.16 0.00 0.00 57.90 55.28 3g2o n TYR 32 Cb 0.39 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.19 3g2o n TYR 32 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3g2o n ASP 33 N -0.09 0.00 -4.56 7.72 5.75 -1.23 -5.06 116.55 119.08 3g2o n ASP 33 Ca 0.49 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.94 3g2o n ASP 33 Cb 0.26 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 3g2o n ASP 33 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3g2o s GLU 34 N 1.68 2.83 -0.52 0.11 -1.05 -1.26 -4.91 118.70 115.57 3g2o s GLU 34 Ca 0.00 -0.26 0.04 0.00 -0.15 0.00 0.00 54.97 54.60 3g2o s GLU 34 Cb 0.00 -4.90 0.15 0.00 -0.44 0.00 0.00 34.13 28.94 3g2o s GLU 34 CO 0.00 -2.90 0.34 0.20 0.95 0.00 0.00 175.26 173.85 3g2o s GLY 35 N 7.06 2.05 -1.02 -3.83 0.00 -1.26 -5.07 107.32 105.26 3g2o s GLY 35 Ca 0.62 -3.02 -0.23 0.00 0.00 0.00 0.00 44.72 42.08 3g2o s GLY 35 CO 0.03 1.45 1.61 0.00 0.00 0.00 0.00 173.10 176.20 3g2o s ALA 36 N -0.33 2.48 0.00 3.20 0.00 -1.26 -5.17 121.76 120.69 3g2o s ALA 36 Ca 0.23 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 50.05 3g2o s ALA 36 Cb -0.13 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.44 3g2o s ALA 36 CO -0.09 -3.93 0.00 -0.40 0.00 0.00 0.00 175.76 171.34 3g2o n ASP 48 N 10.24 0.00 0.00 0.00 3.85 -1.26 -5.27 116.55 124.11 3g2o n ASP 48 Ca 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.45 3g2o n ASP 48 Cb 0.49 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 3g2o n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g2o n GLY 49 N -0.01 2.98 0.36 6.12 0.00 -1.26 -4.94 105.19 108.43 3g2o n GLY 49 Ca 0.00 -0.73 0.18 0.00 0.00 0.00 0.00 46.02 45.48 3g2o n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g2o h THR 50 N 0.00 0.47 0.15 2.61 1.35 -1.96 0.16 112.91 115.70 3g2o h THR 50 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.50 3g2o h THR 50 Cb 0.00 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 3g2o h THR 50 CO 0.00 0.00 -1.91 0.77 -0.25 0.00 0.00 175.52 174.13 3g2o h SER 51 N 0.00 0.49 -0.39 5.36 4.64 -1.92 -2.21 113.55 119.52 3g2o h SER 51 Ca 0.14 -0.95 -0.02 0.00 -0.47 0.00 0.00 61.79 60.49 3g2o h SER 51 Cb 0.76 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3g2o h SER 51 CO -0.00 1.83 0.16 -0.08 -0.87 0.00 0.00 176.83 177.87 3g2o h GLU 52 N 0.09 0.59 -0.78 4.77 4.81 -1.72 -2.02 114.58 120.31 3g2o h GLU 52 Ca -0.40 -0.10 0.16 0.00 -0.13 0.00 0.00 59.36 58.89 3g2o h GLU 52 Cb 2.06 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 31.24 3g2o h GLU 52 CO 0.12 0.55 0.28 0.00 -0.73 0.00 0.00 179.01 179.24 3g2o h ALA 53 N 1.01 1.11 -0.42 2.92 0.00 -0.80 -2.16 119.26 120.92 3g2o h ALA 53 Ca 0.13 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3g2o h ALA 53 Cb 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3g2o h ALA 53 CO -0.01 -0.28 -0.23 -0.09 0.00 0.00 0.00 179.25 178.64 3g2o h ARG 54 N 0.38 0.85 -0.49 0.00 2.43 -1.11 -0.47 114.38 115.96 3g2o h ARG 54 Ca 0.45 -0.35 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3g2o h ARG 54 Cb 0.75 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 3g2o h ARG 54 CO -0.47 0.99 0.04 0.93 -1.51 0.00 0.00 179.97 179.95 3g2o h GLU 55 N 0.73 0.16 0.28 0.20 4.39 -0.81 0.26 114.58 119.79 3g2o h GLU 55 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3g2o h GLU 55 Cb 0.77 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3g2o h GLU 55 CO 0.06 0.10 -0.20 0.74 -1.16 0.00 0.00 179.01 178.55 3g2o h PHE 56 N 0.16 -0.53 -0.92 4.33 0.04 -0.98 -2.63 116.94 116.41 3g2o h PHE 56 Ca 0.25 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.16 3g2o h PHE 56 Cb 0.36 0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.62 3g2o h PHE 56 CO -0.27 -0.31 0.53 0.00 -0.60 0.00 0.00 178.31 177.65 3g2o h ALA 57 N 0.20 1.41 -0.33 2.45 0.00 -0.75 -1.81 119.26 120.43 3g2o h ALA 57 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3g2o h ALA 57 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3g2o h ALA 57 CO -0.00 0.02 0.10 1.15 0.00 0.00 0.00 179.25 180.52 3g2o h THR 58 N 0.77 1.15 -0.06 0.00 2.02 -0.29 -3.12 112.91 113.38 3g2o h THR 58 Ca 0.49 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3g2o h THR 58 Cb 0.63 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3g2o h THR 58 CO -0.33 0.19 0.00 0.54 0.37 0.00 0.00 175.52 176.29 3g2o n ARG 59 N -4.37 2.15 0.00 6.66 1.74 -0.73 -5.10 116.66 117.01 3g2o n ARG 59 Ca 0.02 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 3g2o n ARG 59 Cb 0.16 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3g2o n ARG 59 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g2o n THR 60 N 1.28 0.00 -3.72 0.55 -2.24 -0.89 -5.09 114.28 104.17 3g2o n THR 60 Ca 0.14 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 3g2o n THR 60 Cb 0.56 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 3g2o n THR 60 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3g2o s VAL 63 N 0.00 0.03 0.45 2.28 -7.23 -1.26 -5.08 120.40 109.59 3g2o s VAL 63 Ca 0.00 -0.24 0.17 0.00 -1.81 0.00 0.00 61.98 60.09 3g2o s VAL 63 Cb 0.00 -0.64 0.20 0.00 0.56 0.00 0.00 36.38 36.50 3g2o s VAL 63 CO 0.00 -0.13 2.01 -1.28 -0.31 0.00 0.00 175.10 175.39 3g2o h SER 64 N 4.38 0.00 0.00 4.85 0.87 -2.05 -3.48 113.55 118.12 3g2o h SER 64 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3g2o h SER 64 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3g2o h SER 64 CO 0.34 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 3g2o n GLY 65 N -0.99 1.27 3.69 5.77 0.00 -1.26 -5.13 105.19 108.54 3g2o n GLY 65 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3g2o n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3g2o n PRO 66 N 0.00 2.15 -4.27 1.61 -0.02 -1.26 -4.69 135.00 128.51 3g2o n PRO 66 Ca 0.00 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 3g2o n PRO 66 Cb 0.00 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.00 3g2o n PRO 66 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g2o s VAL 67 N -0.71 4.41 -0.26 -1.45 1.01 0.24 -3.35 120.40 120.28 3g2o s VAL 67 Ca 0.60 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3g2o s VAL 67 Cb -0.59 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3g2o s VAL 67 CO 0.58 0.56 0.34 -0.22 0.00 0.00 0.00 175.10 176.35 3g2o s LEU 68 N -0.41 4.06 -0.22 3.92 2.96 -0.06 -1.19 118.68 127.74 3g2o s LEU 68 Ca 0.08 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3g2o s LEU 68 Cb -0.12 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3g2o s LEU 68 CO 0.02 -0.13 0.02 -0.70 -1.32 0.00 0.00 176.35 174.24 3g2o s GLU 69 N 1.84 3.60 -0.02 1.98 2.12 0.05 -0.31 118.70 127.95 3g2o s GLU 69 Ca 0.14 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 3g2o s GLU 69 Cb -0.15 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 3g2o s GLU 69 CO 0.09 -0.10 0.39 -0.51 -0.54 0.00 0.00 175.26 174.59 3g2o s LEU 70 N 1.33 4.45 -1.00 2.70 1.43 -0.26 -1.24 118.68 126.09 3g2o s LEU 70 Ca 0.04 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 3g2o s LEU 70 Cb -0.15 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 3g2o s LEU 70 CO 0.02 0.30 0.74 0.00 0.23 0.00 0.00 176.35 177.64 3g2o n ALA 71 N 2.04 -2.59 0.25 4.21 0.00 -0.02 -4.58 120.51 119.82 3g2o n ALA 71 Ca -0.14 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.24 3g2o n ALA 71 Cb 0.52 -3.03 0.53 0.00 0.00 0.00 0.00 19.45 17.48 3g2o n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g2o h ALA 72 N 0.82 1.00 -0.46 0.00 0.00 -1.30 -3.47 119.26 115.86 3g2o h ALA 72 Ca -0.53 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3g2o h ALA 72 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3g2o h ALA 72 CO 0.42 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.22 3g2o n GLY 73 N 0.20 1.80 1.09 0.00 0.00 -1.26 -1.71 105.19 105.31 3g2o n GLY 73 Ca 0.01 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.69 3g2o n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g2o n MET 74 N 12.92 2.39 -0.93 1.61 2.81 -1.26 -4.69 117.12 129.98 3g2o n MET 74 Ca 0.00 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.75 3g2o n MET 74 Cb 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3g2o n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g2o n GLY 75 N 1.46 1.24 0.41 3.03 0.00 -0.69 -4.75 105.19 105.88 3g2o n GLY 75 Ca 0.20 -0.41 0.21 0.00 0.00 0.00 0.00 46.02 46.03 3g2o n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3g2o h ARG 76 N 0.00 0.17 0.00 1.61 2.43 -1.93 -1.64 114.38 115.02 3g2o h ARG 76 Ca 0.00 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.85 3g2o h ARG 76 Cb 0.46 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 3g2o h ARG 76 CO 0.00 0.11 -2.18 1.28 -1.51 0.00 0.00 179.97 177.67 3g2o n LEU 77 N -4.40 1.34 -0.20 3.80 4.77 -1.26 -4.50 117.00 116.55 3g2o n LEU 77 Ca 0.15 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3g2o n LEU 77 Cb 0.71 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 3g2o n LEU 77 CO 0.35 0.61 1.12 0.74 -1.33 0.00 0.00 177.39 178.88 3g2o h THR 78 N 0.00 1.15 0.03 -5.08 2.02 -1.79 -0.68 112.91 108.56 3g2o h THR 78 Ca -0.46 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3g2o h THR 78 Cb 1.90 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3g2o h THR 78 CO -0.02 0.15 -0.01 -0.26 0.37 0.00 0.00 175.52 175.74 3g2o h PHE 79 N 0.79 -0.03 -0.80 3.16 0.04 -1.58 0.12 116.94 118.65 3g2o h PHE 79 Ca 0.21 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.17 3g2o h PHE 79 Cb -0.09 0.01 -0.13 0.00 2.20 0.00 0.00 35.95 37.94 3g2o h PHE 79 CO -0.03 0.23 0.10 -1.35 -0.60 0.00 0.00 178.31 176.65 3g2o h PRO 80 N -0.30 0.15 -0.67 1.51 0.11 -1.76 -0.04 132.00 131.00 3g2o h PRO 80 Ca -0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3g2o h PRO 80 Cb 0.28 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3g2o h PRO 80 CO 0.01 0.10 0.44 0.74 -0.21 0.00 0.00 178.00 179.07 3g2o h PHE 81 N 0.15 0.83 -0.20 0.65 0.04 -0.58 -2.38 116.94 115.44 3g2o h PHE 81 Ca 0.46 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.21 3g2o h PHE 81 Cb 0.85 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3g2o h PHE 81 CO -0.36 0.51 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.75 3g2o h LEU 82 N 0.89 0.28 -0.01 1.54 3.38 0.11 -2.26 115.31 119.24 3g2o h LEU 82 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3g2o h LEU 82 Cb -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3g2o h LEU 82 CO -0.07 0.37 0.00 0.47 0.09 0.00 0.00 178.44 179.30 3g2o n ASP 83 N -4.33 0.01 -0.52 -0.43 8.00 -0.11 -1.96 116.55 117.21 3g2o n ASP 83 Ca -0.00 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.13 3g2o n ASP 83 Cb 0.22 -0.51 0.23 0.00 -0.02 0.00 0.00 41.12 41.04 3g2o n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g2o n LEU 84 N -1.51 1.86 0.00 0.64 4.77 -0.86 -4.95 117.00 116.95 3g2o n LEU 84 Ca 0.04 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3g2o n LEU 84 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3g2o n LEU 84 CO 0.15 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3g2o n GLY 85 N 1.34 0.29 3.75 -0.72 0.00 -0.83 -5.06 105.19 103.96 3g2o n GLY 85 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3g2o n GLY 85 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g2o n TRP 86 N -2.00 2.80 -2.78 1.61 7.02 -1.19 -4.99 117.44 117.91 3g2o n TRP 86 Ca 0.00 0.48 -0.42 0.00 -1.02 0.00 0.00 57.50 56.53 3g2o n TRP 86 Cb 0.00 -2.50 -0.03 0.00 -2.42 0.00 0.00 31.31 26.36 3g2o n TRP 86 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3g2o s GLU 87 N -2.05 4.15 -0.12 -0.99 2.02 -1.26 -4.60 118.70 115.85 3g2o s GLU 87 Ca 0.54 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.59 3g2o s GLU 87 Cb -0.50 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.05 3g2o s GLU 87 CO 0.63 -0.65 -0.22 0.08 0.02 0.00 0.00 175.26 175.12 3g2o s VAL 88 N 3.12 2.21 -0.22 2.63 1.01 -0.08 -0.60 120.40 128.48 3g2o s VAL 88 Ca 0.39 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3g2o s VAL 88 Cb -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3g2o s VAL 88 CO 0.09 0.55 0.47 -0.89 0.00 0.00 0.00 175.10 175.32 3g2o s THR 89 N 0.47 5.13 -0.30 3.92 2.01 -0.33 -0.67 115.64 125.88 3g2o s THR 89 Ca -0.15 0.83 -0.06 0.00 0.31 0.00 0.00 61.69 62.63 3g2o s THR 89 Cb -0.17 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3g2o s THR 89 CO 0.06 0.17 0.06 0.00 -0.69 0.00 0.00 174.62 174.22 3g2o s ALA 90 N 1.75 2.99 -0.14 7.40 0.00 0.24 -0.77 121.76 133.24 3g2o s ALA 90 Ca 0.21 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 3g2o s ALA 90 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3g2o s ALA 90 CO 0.09 -1.02 0.13 -1.17 0.00 0.00 0.00 175.76 173.79 3g2o s LEU 91 N 1.44 4.29 -0.08 0.00 0.20 -0.37 -0.98 118.68 123.18 3g2o s LEU 91 Ca 0.01 0.38 -0.16 0.00 0.69 0.00 0.00 54.13 55.04 3g2o s LEU 91 Cb -0.18 -2.06 0.04 0.00 -0.43 0.00 0.00 46.19 43.55 3g2o s LEU 91 CO 0.01 0.33 0.40 -0.70 -0.29 0.00 0.00 176.35 176.10 3g2o s GLU 92 N -0.58 0.64 -0.07 1.98 2.56 -0.67 -0.84 118.70 121.72 3g2o s GLU 92 Ca 0.13 0.18 -0.15 0.00 0.00 0.00 0.00 54.97 55.13 3g2o s GLU 92 Cb -0.12 0.29 -0.30 0.00 2.00 0.00 0.00 34.13 36.01 3g2o s GLU 92 CO 0.02 -0.15 0.67 1.25 -0.56 0.00 0.00 175.26 176.50 3g2o h LEU 93 N 4.44 0.52 -9.36 2.70 5.85 -1.84 -1.15 115.31 116.47 3g2o h LEU 93 Ca -0.28 -0.90 -0.55 0.00 0.84 0.00 0.00 57.88 56.99 3g2o h LEU 93 Cb 1.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3g2o h LEU 93 CO 0.33 1.67 0.39 -0.55 -0.34 0.00 0.00 178.44 179.94 3g2o s SER 94 N -7.17 7.29 0.23 1.25 0.15 -1.26 -4.72 113.70 109.46 3g2o s SER 94 Ca -0.17 1.57 -0.01 0.00 0.70 0.00 0.00 55.95 58.04 3g2o s SER 94 Cb 0.04 -2.55 0.24 0.00 -1.71 0.00 0.00 66.02 62.04 3g2o s SER 94 CO 0.82 -0.29 1.60 0.71 1.20 0.00 0.00 173.24 177.28 3g2o h THR 95 N 4.88 1.30 -0.09 6.45 1.35 -1.99 -1.15 112.91 123.65 3g2o h THR 95 Ca -0.38 -1.56 -0.21 0.00 -0.55 0.00 0.00 66.41 63.71 3g2o h THR 95 Cb 1.20 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3g2o h THR 95 CO 0.78 0.49 -0.80 0.77 -0.25 0.00 0.00 175.52 176.51 3g2o h SER 96 N 0.44 0.71 -0.53 5.36 4.64 -1.99 -1.25 113.55 120.93 3g2o h SER 96 Ca 0.04 -0.48 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3g2o h SER 96 Cb 0.89 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 3g2o h SER 96 CO 0.08 1.26 0.33 0.58 -0.87 0.00 0.00 176.83 178.20 3g2o h VAL 97 N 0.39 1.15 -0.73 0.95 2.07 -1.92 -1.51 116.25 116.65 3g2o h VAL 97 Ca -0.05 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3g2o h VAL 97 Cb 1.41 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3g2o h VAL 97 CO 0.15 0.16 0.40 -0.07 0.02 0.00 0.00 177.57 178.23 3g2o h LEU 98 N 0.71 0.91 -0.37 2.57 3.38 -1.10 0.09 115.31 121.50 3g2o h LEU 98 Ca 0.19 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g2o h LEU 98 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3g2o h LEU 98 CO -0.04 0.73 0.21 0.00 0.09 0.00 0.00 178.44 179.44 3g2o h ALA 99 N 1.42 0.47 -0.82 1.53 0.00 -0.93 -0.46 119.26 120.46 3g2o h ALA 99 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3g2o h ALA 99 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3g2o h ALA 99 CO -0.04 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.62 3g2o h ALA 100 N 1.08 1.05 -0.13 0.00 0.00 -0.80 -1.07 119.26 119.39 3g2o h ALA 100 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g2o h ALA 100 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3g2o h ALA 100 CO -0.02 0.58 0.08 0.35 0.00 0.00 0.00 179.25 180.24 3g2o h PHE 101 N 1.15 0.17 -0.96 0.00 -0.00 -0.82 -2.41 116.94 114.06 3g2o h PHE 101 Ca 0.29 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.32 3g2o h PHE 101 Cb 0.06 -0.05 -0.06 0.00 -0.00 0.00 0.00 35.95 35.89 3g2o h PHE 101 CO 0.01 0.14 0.62 -0.09 -0.00 0.00 0.00 178.31 178.98 3g2o h ARG 102 N 0.14 1.10 -0.26 1.11 2.43 -0.72 0.18 114.38 118.37 3g2o h ARG 102 Ca 0.05 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3g2o h ARG 102 Cb 0.02 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3g2o h ARG 102 CO -0.01 0.73 0.16 0.87 -1.51 0.00 0.00 179.97 180.21 3g2o h LYS 103 N 1.14 0.35 -0.23 0.20 1.57 -1.05 -1.12 116.57 117.43 3g2o h LYS 103 Ca 0.41 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.10 3g2o h LYS 103 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3g2o h LYS 103 CO -0.16 0.27 -0.12 0.00 -0.57 0.00 0.00 179.45 178.87 3g2o h ARG 104 N 0.33 0.37 0.00 3.15 3.08 -0.86 -2.40 114.38 118.05 3g2o h ARG 104 Ca 0.09 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3g2o h ARG 104 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3g2o h ARG 104 CO -0.02 0.50 -0.10 1.25 -1.07 0.00 0.00 179.97 180.53 3g2o h LEU 105 N 0.35 0.00 -0.47 3.04 5.85 -0.24 -3.14 115.31 120.70 3g2o h LEU 105 Ca 0.07 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 3g2o h LEU 105 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3g2o h LEU 105 CO 0.02 0.10 -0.76 0.00 -0.34 0.00 0.00 178.44 177.46 3g2o h ALA 106 N 1.90 0.74 -0.01 1.25 0.00 -0.68 -3.04 119.26 119.42 3g2o h ALA 106 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3g2o h ALA 106 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3g2o h ALA 106 CO 0.01 0.95 -0.02 0.39 0.00 0.00 0.00 179.25 180.58 3g2o n GLU 107 N -3.63 1.40 -2.94 0.00 1.02 -1.19 -4.90 120.64 110.40 3g2o n GLU 107 Ca -0.01 -0.67 -0.32 0.00 -0.02 0.00 0.00 57.16 56.14 3g2o n GLU 107 Cb 0.74 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 3g2o n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g2o s ALA 108 N -2.06 3.26 0.42 0.62 0.00 -1.15 -5.03 121.76 117.82 3g2o s ALA 108 Ca 0.39 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 3g2o s ALA 108 Cb 0.21 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3g2o s ALA 108 CO 0.36 0.15 1.13 -2.30 0.00 0.00 0.00 175.76 175.11 3g2o n PRO 109 N -0.78 1.60 -0.33 0.00 -0.02 -1.26 -4.70 135.00 129.51 3g2o n PRO 109 Ca 0.04 0.57 0.17 0.00 -2.02 0.00 0.00 63.50 62.26 3g2o n PRO 109 Cb 0.54 -2.20 0.39 0.00 -0.02 0.00 0.00 33.50 32.21 3g2o n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g2o h ALA 110 N 1.77 1.87 -0.44 3.55 0.00 -1.95 -0.03 119.26 124.03 3g2o h ALA 110 Ca -0.46 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3g2o h ALA 110 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3g2o h ALA 110 CO 0.58 -0.26 -0.26 0.38 0.00 0.00 0.00 179.25 179.69 3g2o h ASP 111 N 0.61 0.96 -0.28 0.00 2.03 -1.99 -1.62 116.42 116.12 3g2o h ASP 111 Ca 0.58 -0.38 -0.02 0.00 -0.73 0.00 0.00 57.03 56.48 3g2o h ASP 111 Cb 1.12 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 3g2o h ASP 111 CO -0.36 1.15 0.09 0.58 -1.03 0.00 0.00 179.24 179.67 3g2o h VAL 112 N 0.79 1.20 -0.06 4.15 2.07 -1.62 -3.09 116.25 119.69 3g2o h VAL 112 Ca 0.10 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3g2o h VAL 112 Cb 0.82 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3g2o h VAL 112 CO 0.07 0.22 -0.04 -0.09 0.02 0.00 0.00 177.57 177.74 3g2o h ARG 113 N 0.30 0.08 0.00 1.57 2.43 -0.91 -2.43 114.38 115.41 3g2o h ARG 113 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3g2o h ARG 113 Cb 0.25 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3g2o h ARG 113 CO -0.00 0.13 -0.43 -0.25 -1.51 0.00 0.00 179.97 177.90 3g2o n ASP 114 N -4.44 0.72 -0.70 -3.80 8.00 -0.62 -3.59 116.55 112.13 3g2o n ASP 114 Ca -0.02 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.85 3g2o n ASP 114 Cb 0.15 -0.12 0.35 0.00 -0.02 0.00 0.00 41.12 41.48 3g2o n ASP 114 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g2o n ARG 115 N -2.13 1.93 -4.50 -1.24 1.74 -0.92 -4.87 116.66 106.66 3g2o n ARG 115 Ca 0.04 -1.38 -0.33 0.00 -0.77 0.00 0.00 57.85 55.40 3g2o n ARG 115 Cb 0.43 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 3g2o n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g2o s THR 117 N 0.59 2.35 -0.18 0.00 2.01 0.16 -5.00 115.64 115.57 3g2o s THR 117 Ca -0.06 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 3g2o s THR 117 Cb -0.15 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 3g2o s THR 117 CO 0.03 0.41 0.22 -0.22 -0.69 0.00 0.00 174.62 174.37 3g2o s LEU 118 N 1.30 4.23 -0.02 4.42 2.96 -1.26 0.82 118.68 131.13 3g2o s LEU 118 Ca 0.03 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3g2o s LEU 118 Cb -0.14 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3g2o s LEU 118 CO -0.10 0.14 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 3g2o s VAL 119 N 0.40 0.34 -0.05 1.68 1.01 -0.15 -4.94 120.40 118.68 3g2o s VAL 119 Ca 0.13 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 3g2o s VAL 119 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3g2o s VAL 119 CO 0.01 0.13 0.78 -1.58 0.00 0.00 0.00 175.10 174.44 3g2o s GLN 120 N 0.30 4.46 -0.12 2.72 0.74 -1.26 -1.67 119.66 124.84 3g2o s GLN 120 Ca -0.03 1.02 -0.33 0.00 0.05 0.00 0.00 55.36 56.07 3g2o s GLN 120 Cb -0.06 -3.46 0.13 0.00 1.10 0.00 0.00 33.01 30.72 3g2o s GLN 120 CO -0.00 0.02 1.15 0.20 -0.55 0.00 0.00 175.29 176.10 3g2o s GLY 121 N 0.87 -0.34 -0.37 2.59 0.00 -0.43 -4.89 107.32 104.74 3g2o s GLY 121 Ca 0.41 1.32 -0.17 0.00 0.00 0.00 0.00 44.72 46.28 3g2o s GLY 121 CO 0.20 0.42 0.47 -0.35 0.00 0.00 0.00 173.10 173.85 3g2o s ASP 122 N -2.36 6.26 0.32 1.64 -1.08 -1.26 -2.97 116.67 117.22 3g2o s ASP 122 Ca 0.09 -0.25 0.24 0.00 -0.52 0.00 0.00 52.55 52.11 3g2o s ASP 122 Cb -0.00 -2.25 1.18 0.00 -1.46 0.00 0.00 42.92 40.39 3g2o s ASP 122 CO -0.05 -0.50 1.72 0.00 0.52 0.00 0.00 175.17 176.86 3g2o h MET 123 N 8.56 0.00 0.00 4.34 -0.00 -1.96 -0.53 114.93 125.34 3g2o h MET 123 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 3g2o h MET 123 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 3g2o h MET 123 CO 0.77 0.00 -0.20 -1.13 -0.00 0.00 0.00 176.91 176.35 3g2o n SER 124 N -2.32 0.29 -2.73 -0.10 3.41 -1.26 -4.09 113.62 106.83 3g2o n SER 124 Ca -0.00 0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.81 3g2o n SER 124 Cb 0.11 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3g2o n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g2o n ALA 125 N -1.56 -2.33 -2.44 7.33 0.00 -0.24 -3.21 120.51 118.06 3g2o n ALA 125 Ca 0.06 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.44 3g2o n ALA 125 Cb 0.36 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 3g2o n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3g2o s PHE 126 N 0.69 1.78 -0.14 0.00 -0.12 -1.02 -4.46 117.98 114.71 3g2o s PHE 126 Ca 0.29 -0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 3g2o s PHE 126 Cb 0.14 -0.88 0.07 0.00 -0.63 0.00 0.00 43.02 41.72 3g2o s PHE 126 CO -0.14 0.33 0.29 0.00 -0.05 0.00 0.00 175.22 175.65 3g2o s ALA 127 N -2.22 -0.66 0.28 1.99 0.00 -1.26 -4.90 121.76 114.98 3g2o s ALA 127 Ca 0.17 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.27 3g2o s ALA 127 Cb -0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3g2o s ALA 127 CO 0.07 -0.63 -0.07 -0.51 0.00 0.00 0.00 175.76 174.62 3g2o s LEU 128 N 2.36 2.96 -0.47 0.00 1.43 -1.26 -5.03 118.68 118.68 3g2o s LEU 128 Ca -0.00 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3g2o s LEU 128 Cb -0.12 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.73 3g2o s LEU 128 CO -0.09 0.00 2.64 -0.67 0.23 0.00 0.00 176.35 178.46 3g2o n ASP 129 N -0.80 6.55 -3.54 2.29 2.03 -1.26 -4.86 116.55 116.97 3g2o n ASP 129 Ca -0.06 -3.24 -0.17 0.00 0.52 0.00 0.00 54.79 51.85 3g2o n ASP 129 Cb 0.60 -1.20 -0.06 0.00 -0.72 0.00 0.00 41.12 39.73 3g2o n ASP 129 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3g2o s LYS 130 N -1.89 0.98 0.37 -0.67 2.20 -1.26 -5.17 119.74 114.29 3g2o s LYS 130 Ca 0.56 0.29 0.08 0.00 -0.36 0.00 0.00 55.97 56.54 3g2o s LYS 130 Cb 0.38 0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 37.10 3g2o s LYS 130 CO -0.21 -0.29 0.09 1.03 -0.36 0.00 0.00 175.35 175.61 3g2o s ARG 131 N -1.08 2.16 0.03 4.03 0.52 -1.26 -4.83 118.95 118.53 3g2o s ARG 131 Ca -0.09 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.35 3g2o s ARG 131 Cb -0.00 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 3g2o s ARG 131 CO 0.08 0.04 -0.05 -0.06 0.02 0.00 0.00 175.30 175.33 3g2o s PHE 132 N -2.54 0.45 -0.14 -0.53 0.08 0.83 -4.86 117.98 111.26 3g2o s PHE 132 Ca 0.37 -0.55 0.21 0.00 0.12 0.00 0.00 56.93 57.08 3g2o s PHE 132 Cb 0.02 -0.29 0.43 0.00 -0.57 0.00 0.00 43.02 42.61 3g2o s PHE 132 CO 0.21 -0.16 1.62 0.78 -0.10 0.00 0.00 175.22 177.57 3g2o h GLY 133 N 4.49 0.00 -5.67 4.36 0.00 -1.85 0.74 103.07 105.14 3g2o h GLY 133 Ca -0.34 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 3g2o h GLY 133 CO 0.42 0.00 -0.57 -1.59 0.00 0.00 0.00 176.54 174.80 3g2o s THR 134 N -3.24 -0.01 -0.06 4.70 2.01 -1.25 -1.10 115.64 116.68 3g2o s THR 134 Ca 0.04 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.11 3g2o s THR 134 Cb 0.08 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.39 3g2o s THR 134 CO 0.69 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.82 3g2o s VAL 135 N 0.37 1.17 0.04 3.82 1.01 -0.13 -0.88 120.40 125.81 3g2o s VAL 135 Ca -0.03 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3g2o s VAL 135 Cb -0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3g2o s VAL 135 CO -0.02 0.36 -0.20 0.68 0.00 0.00 0.00 175.10 175.93 3g2o s VAL 136 N 0.49 1.59 -0.04 2.92 -7.23 0.57 -0.07 120.40 118.63 3g2o s VAL 136 Ca -0.12 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3g2o s VAL 136 Cb -0.14 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3g2o s VAL 136 CO 0.03 0.19 0.13 -0.51 -0.31 0.00 0.00 175.10 174.63 3g2o s ILE 137 N -0.79 0.02 0.41 -0.62 2.07 -0.67 -1.10 121.20 120.51 3g2o s ILE 137 Ca 0.07 -0.19 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 3g2o s ILE 137 Cb -0.09 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.25 3g2o s ILE 137 CO 0.02 -0.10 0.58 -0.94 -1.91 0.00 0.00 174.94 172.58 3g2o s SER 138 N -0.31 5.80 0.19 4.50 1.04 -1.26 -2.17 113.70 121.49 3g2o s SER 138 Ca -0.04 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 3g2o s SER 138 Cb -0.03 -1.21 0.18 0.00 0.10 0.00 0.00 66.02 65.06 3g2o s SER 138 CO 0.00 -0.65 1.75 -1.28 0.98 0.00 0.00 173.24 174.05 3g2o h SER 139 N 0.60 0.18 -0.39 7.02 0.87 -1.53 -1.74 113.55 118.56 3g2o h SER 139 Ca -0.45 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.26 3g2o h SER 139 Cb 1.26 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.25 3g2o h SER 139 CO 0.53 0.13 0.27 1.23 -0.53 0.00 0.00 176.83 178.46 3g2o h GLY 140 N 0.36 0.21 0.00 5.77 0.00 -1.95 -2.37 103.07 105.09 3g2o h GLY 140 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3g2o h GLY 140 CO -0.25 0.05 -0.09 1.76 0.00 0.00 0.00 176.54 178.00 3g2o h SER 141 N 0.16 0.00 -0.21 0.19 0.02 -1.69 -3.17 113.55 108.86 3g2o h SER 141 Ca 0.18 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3g2o h SER 141 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3g2o h SER 141 CO -0.03 0.82 0.12 -0.29 -1.14 0.00 0.00 176.83 176.32 3g2o h ILE 142 N -1.00 1.07 0.00 3.27 2.10 -1.42 -1.24 117.51 120.30 3g2o h ILE 142 Ca -0.02 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3g2o h ILE 142 Cb 0.61 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3g2o h ILE 142 CO -0.01 0.08 0.00 0.59 -1.08 0.00 0.00 178.15 177.73 3g2o n ASN 143 N -4.48 0.21 0.20 2.19 3.02 -0.90 -2.07 115.26 113.44 3g2o n ASN 143 Ca 0.00 0.55 0.14 0.00 -0.03 0.00 0.00 54.58 55.25 3g2o n ASN 143 Cb 0.09 -0.60 0.58 0.00 -0.61 0.00 0.00 39.78 39.25 3g2o n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3g2o h GLU 144 N 0.00 0.00 -5.53 3.52 4.39 -1.18 -3.41 114.58 112.37 3g2o h GLU 144 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 3g2o h GLU 144 Cb 0.29 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.79 3g2o h GLU 144 CO 0.00 0.00 -0.58 -0.51 -1.16 0.00 0.00 179.01 176.76 3g2o s LEU 145 N -5.27 3.78 0.00 1.33 1.43 -0.88 -5.11 118.68 113.96 3g2o s LEU 145 Ca 0.03 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3g2o s LEU 145 Cb 0.09 -1.92 0.26 0.00 0.03 0.00 0.00 46.19 44.65 3g2o s LEU 145 CO 0.47 0.27 1.15 -0.90 0.23 0.00 0.00 176.35 177.56 3g2o n ASP 146 N 2.91 -1.18 -0.16 2.29 5.68 -1.26 -4.72 116.55 120.12 3g2o n ASP 146 Ca -0.18 -1.27 -0.09 0.00 -0.50 0.00 0.00 54.79 52.74 3g2o n ASP 146 Cb 0.53 -0.97 -0.00 0.00 -1.14 0.00 0.00 41.12 39.54 3g2o n ASP 146 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3g2o h GLU 147 N 0.00 0.76 -0.55 0.11 4.81 -1.99 -0.82 114.58 116.90 3g2o h GLU 147 Ca -0.40 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.60 3g2o h GLU 147 Cb 1.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3g2o h GLU 147 CO 0.27 0.78 0.26 0.00 -0.73 0.00 0.00 179.01 179.59 3g2o h ALA 148 N 0.95 0.71 -0.13 2.92 0.00 -2.00 -2.52 119.26 119.18 3g2o h ALA 148 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3g2o h ALA 148 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3g2o h ALA 148 CO 0.01 0.28 -0.47 -0.44 0.00 0.00 0.00 179.25 178.63 3g2o h ASP 149 N 0.74 0.36 -0.55 0.00 3.32 -1.84 -2.26 116.42 116.18 3g2o h ASP 149 Ca 0.19 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3g2o h ASP 149 Cb 0.13 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3g2o h ASP 149 CO -0.02 0.77 0.31 0.03 -1.72 0.00 0.00 179.24 178.61 3g2o h ARG 150 N 0.27 0.77 -0.74 3.56 3.08 -1.04 0.79 114.38 121.07 3g2o h ARG 150 Ca 0.02 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.04 3g2o h ARG 150 Cb 0.93 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 3g2o h ARG 150 CO 0.08 0.59 0.43 0.00 -1.07 0.00 0.00 179.97 179.99 3g2o h ARG 151 N 0.74 0.76 -0.66 0.04 3.08 -1.02 -0.84 114.38 116.48 3g2o h ARG 151 Ca 0.20 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3g2o h ARG 151 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3g2o h ARG 151 CO -0.03 0.50 0.41 0.78 -1.07 0.00 0.00 179.97 180.56 3g2o h GLY 152 N 0.78 0.96 0.60 0.04 0.00 -1.02 -2.29 103.07 102.14 3g2o h GLY 152 Ca 0.33 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.40 3g2o h GLY 152 CO -0.19 0.25 -0.05 -2.00 0.00 0.00 0.00 176.54 174.55 3g2o h LEU 153 N 0.79 -0.18 -0.60 3.11 5.85 -0.34 -1.39 115.31 122.55 3g2o h LEU 153 Ca 0.27 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 3g2o h LEU 153 Cb 0.04 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3g2o h LEU 153 CO -0.12 -0.06 0.28 1.88 -0.34 0.00 0.00 178.44 180.08 3g2o h TYR 154 N 0.00 0.88 -0.18 1.25 0.05 -0.99 -0.13 116.97 117.84 3g2o h TYR 154 Ca 0.10 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3g2o h TYR 154 Cb 0.14 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 3g2o h TYR 154 CO -0.22 0.68 0.07 0.00 -1.05 0.00 0.00 178.16 177.64 3g2o h ALA 155 N 1.11 0.23 -0.60 3.88 0.00 -1.37 -2.06 119.26 120.45 3g2o h ALA 155 Ca 0.20 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3g2o h ALA 155 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3g2o h ALA 155 CO -0.02 -0.17 0.36 0.77 0.00 0.00 0.00 179.25 180.18 3g2o h SER 156 N 0.14 0.57 0.15 0.00 0.02 -1.02 -2.74 113.55 110.66 3g2o h SER 156 Ca 0.06 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3g2o h SER 156 Cb 0.17 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3g2o h SER 156 CO -0.00 0.39 -0.07 0.58 -1.14 0.00 0.00 176.83 176.59 3g2o h VAL 157 N 0.70 0.87 -0.98 2.27 2.07 -0.91 -2.39 116.25 117.87 3g2o h VAL 157 Ca 0.25 -0.06 0.30 0.00 0.82 0.00 0.00 66.70 68.01 3g2o h VAL 157 Cb 0.06 0.90 -0.15 0.00 -1.52 0.00 0.00 31.29 30.58 3g2o h VAL 157 CO -0.12 0.01 0.52 -0.09 0.02 0.00 0.00 177.57 177.91 3g2o h ARG 158 N -0.23 0.32 0.00 1.57 2.43 -1.20 0.13 114.38 117.41 3g2o h ARG 158 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3g2o h ARG 158 Cb 0.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3g2o h ARG 158 CO 0.03 0.21 0.00 0.93 -1.51 0.00 0.00 179.97 179.64 3g2o h GLU 159 N 0.33 0.00 -0.25 0.20 4.39 -1.14 -3.13 114.58 114.99 3g2o h GLU 159 Ca 0.70 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.40 3g2o h GLU 159 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3g2o h GLU 159 CO -0.60 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 177.97 3g2o n HIS 160 N -2.46 0.32 -3.41 4.33 8.25 0.43 -4.92 115.22 117.76 3g2o n HIS 160 Ca 0.03 -0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 56.86 3g2o n HIS 160 Cb 0.34 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 3g2o n HIS 160 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g2o s LEU 161 N -1.11 4.28 0.69 2.41 1.43 -0.95 -0.12 118.68 125.31 3g2o s LEU 161 Ca 0.24 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.92 3g2o s LEU 161 Cb 0.14 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3g2o s LEU 161 CO 0.20 0.06 1.09 -1.61 0.23 0.00 0.00 176.35 176.31 3g2o s GLU 162 N 0.45 2.75 0.11 1.70 2.02 0.25 -4.77 118.70 121.21 3g2o s GLU 162 Ca 0.22 1.22 -0.36 0.00 0.02 0.00 0.00 54.97 56.08 3g2o s GLU 162 Cb -0.14 -1.95 -0.17 0.00 0.10 0.00 0.00 34.13 31.96 3g2o s GLU 162 CO 0.08 -1.27 1.22 -2.30 0.02 0.00 0.00 175.26 173.02 3g2o n PRO 163 N -2.80 0.97 -0.84 0.39 -0.02 -1.26 -0.48 135.00 130.96 3g2o n PRO 163 Ca 0.09 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3g2o n PRO 163 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3g2o n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g2o n GLY 164 N 2.21 0.52 3.79 -1.23 0.00 -1.26 -5.01 105.19 104.20 3g2o n GLY 164 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3g2o n GLY 164 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g2o s GLY 165 N -2.00 2.24 0.03 -0.02 0.00 0.37 -5.02 107.32 102.91 3g2o s GLY 165 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.28 3g2o s GLY 165 CO 0.00 0.86 -0.06 -1.59 0.00 0.00 0.00 173.10 172.31 3g2o s LYS 166 N -3.90 2.51 -0.27 2.90 -2.85 -0.26 -4.47 119.74 113.40 3g2o s LYS 166 Ca 0.66 -0.77 -0.07 0.00 -1.00 0.00 0.00 55.97 54.80 3g2o s LYS 166 Cb -0.19 -2.49 -0.01 0.00 -2.06 0.00 0.00 37.83 33.09 3g2o s LYS 166 CO 0.36 0.58 0.06 0.12 0.10 0.00 0.00 175.35 176.57 3g2o s PHE 167 N -1.06 3.10 -0.12 1.78 5.36 0.14 -0.95 117.98 126.21 3g2o s PHE 167 Ca 0.19 -0.78 -0.00 0.00 -0.96 0.00 0.00 56.93 55.37 3g2o s PHE 167 Cb -0.11 -2.23 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 3g2o s PHE 167 CO 0.10 -0.50 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.74 3g2o s LEU 168 N 1.54 2.84 0.02 6.12 1.43 0.89 -1.08 118.68 130.43 3g2o s LEU 168 Ca 0.04 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3g2o s LEU 168 Cb -0.16 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3g2o s LEU 168 CO 0.02 0.19 -0.18 -0.76 0.23 0.00 0.00 176.35 175.86 3g2o s LEU 169 N 0.19 2.11 -0.00 1.79 1.02 -0.61 -1.68 118.68 121.51 3g2o s LEU 169 Ca -0.07 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.69 3g2o s LEU 169 Cb -0.15 -0.86 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 3g2o s LEU 169 CO 0.05 0.15 -0.06 -0.94 0.02 0.00 0.00 176.35 175.57 3g2o s SER 170 N -0.85 4.69 -0.06 2.29 1.04 -0.92 -0.42 113.70 119.47 3g2o s SER 170 Ca 0.06 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 3g2o s SER 170 Cb -0.08 -1.12 0.04 0.00 0.10 0.00 0.00 66.02 64.96 3g2o s SER 170 CO 0.01 0.29 0.10 -0.76 0.98 0.00 0.00 173.24 173.85 3g2o s LEU 171 N -1.41 0.10 0.36 2.42 1.43 -0.05 -1.17 118.68 120.36 3g2o s LEU 171 Ca 0.17 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.18 3g2o s LEU 171 Cb -0.11 0.04 -0.11 0.00 0.03 0.00 0.00 46.19 46.04 3g2o s LEU 171 CO 0.08 -0.24 1.44 0.00 0.23 0.00 0.00 176.35 177.85 3g2o s ALA 172 N 2.16 3.56 -0.26 4.21 0.00 -1.26 -0.45 121.76 129.70 3g2o s ALA 172 Ca 0.03 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.51 3g2o s ALA 172 Cb -0.12 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.49 3g2o s ALA 172 CO -0.04 -0.94 -0.08 1.41 0.00 0.00 0.00 175.76 176.10 3g2o s MET 173 N -1.98 2.07 1.02 0.00 1.75 -0.03 -4.49 119.30 117.63 3g2o s MET 173 Ca 0.52 -1.35 -0.13 0.00 -1.25 0.00 0.00 55.69 53.48 3g2o s MET 173 Cb -0.45 -2.87 0.20 0.00 2.84 0.00 0.00 34.83 34.55 3g2o s MET 173 CO 0.60 -0.61 1.10 -1.54 -0.65 0.00 0.00 175.02 173.92 3g2o s SER 174 N 1.12 2.46 0.12 1.11 1.04 -1.26 -4.62 113.70 113.67 3g2o s SER 174 Ca -0.06 1.08 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 3g2o s SER 174 Cb -0.20 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 3g2o s SER 174 CO -0.06 -3.22 1.69 -0.33 0.98 0.00 0.00 173.24 172.30 3g2o h GLU 175 N -1.96 0.41 -0.97 4.02 5.08 -1.98 0.07 114.58 119.26 3g2o h GLU 175 Ca -0.54 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.77 3g2o h GLU 175 Cb 1.33 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3g2o h GLU 175 CO 0.56 0.39 0.64 0.00 -1.00 0.00 0.00 179.01 179.60 3g2o h ALA 176 N 1.00 1.23 -0.05 3.43 0.00 -1.94 -0.52 119.26 122.41 3g2o h ALA 176 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3g2o h ALA 176 Cb 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3g2o h ALA 176 CO -0.01 0.62 -0.23 0.00 0.00 0.00 0.00 179.25 179.63 3g2o h ALA 177 N 1.35 1.54 0.17 0.00 0.00 -1.85 -3.17 119.26 117.31 3g2o h ALA 177 Ca 0.35 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 3g2o h ALA 177 Cb -0.15 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3g2o h ALA 177 CO -0.08 0.34 -1.33 1.49 0.00 0.00 0.00 179.25 179.67 3g2o h GLU 178 N 0.07 0.36 -7.11 0.00 4.81 -0.07 -3.47 114.58 109.17 3g2o h GLU 178 Ca 0.01 -0.61 -0.54 0.00 -0.13 0.00 0.00 59.36 58.09 3g2o h GLU 178 Cb 0.45 0.23 0.13 0.00 0.63 0.00 0.00 28.75 30.19 3g2o h GLU 178 CO 0.03 1.29 0.48 -1.12 -0.73 0.00 0.00 179.01 178.96 3g2o s SER 179 N -7.29 4.87 -0.07 1.04 0.01 -0.29 -4.97 113.70 107.00 3g2o s SER 179 Ca -0.06 2.47 -0.30 0.00 1.31 0.00 0.00 55.95 59.37 3g2o s SER 179 Cb 0.06 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3g2o s SER 179 CO 0.90 -1.82 1.41 -1.61 0.41 0.00 0.00 173.24 172.54 3g2o s GLU 180 N -3.42 4.25 0.27 12.44 0.41 -1.26 -4.96 118.70 126.42 3g2o s GLU 180 Ca 0.79 1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 56.97 3g2o s GLU 180 Cb -0.33 -3.73 -0.13 0.00 -1.78 0.00 0.00 34.13 28.15 3g2o s GLU 180 CO 0.37 -0.68 1.29 -2.30 -0.49 0.00 0.00 175.26 173.45 3g2o n PRO 181 N 6.17 1.85 -2.14 0.39 -0.02 -1.26 -4.89 135.00 135.11 3g2o n PRO 181 Ca 0.14 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3g2o n PRO 181 Cb 0.44 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3g2o n PRO 181 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g2o s LEU 182 N -0.06 4.33 0.18 2.45 1.43 -1.26 -4.91 118.68 120.83 3g2o s LEU 182 Ca 0.64 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.85 3g2o s LEU 182 Cb -0.66 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 3g2o s LEU 182 CO 0.55 -0.78 0.51 -1.61 0.23 0.00 0.00 176.35 175.25 3g2o s GLU 183 N 2.58 3.81 -0.09 1.70 2.02 -1.26 -4.08 118.70 123.38 3g2o s GLU 183 Ca 0.67 0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 3g2o s GLU 183 Cb -0.34 -2.79 0.04 0.00 0.10 0.00 0.00 34.13 31.14 3g2o s GLU 183 CO 0.28 0.41 0.05 -0.98 0.02 0.00 0.00 175.26 175.04 3g2o s ARG 184 N -2.46 0.22 0.45 1.61 1.70 -0.86 -4.99 118.95 114.61 3g2o s ARG 184 Ca 0.42 0.13 0.04 0.00 -0.47 0.00 0.00 55.73 55.85 3g2o s ARG 184 Cb -0.13 -1.06 0.01 0.00 -0.57 0.00 0.00 34.95 33.20 3g2o s ARG 184 CO 0.21 -0.42 0.63 0.15 -1.08 0.00 0.00 175.30 174.79 3g2o s LYS 185 N 2.08 2.85 0.02 3.89 1.02 -1.26 -3.04 119.74 125.30 3g2o s LYS 185 Ca 0.04 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.13 3g2o s LYS 185 Cb -0.13 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3g2o s LYS 185 CO -0.05 -0.34 0.00 1.04 -0.92 0.00 0.00 175.35 175.08 3g2o n GLN 186 N -2.00 0.00 -5.01 1.68 6.02 -1.26 -4.90 117.38 111.90 3g2o n GLN 186 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 3g2o n GLN 186 Cb 0.59 -0.04 -0.15 0.00 1.02 0.00 0.00 30.24 31.65 3g2o n GLN 186 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g2o s VAL 197 N -2.00 2.57 -0.33 5.09 1.01 -1.26 -5.12 120.40 120.37 3g2o s VAL 197 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3g2o s VAL 197 Cb 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.43 3g2o s VAL 197 CO 0.00 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.47 3g2o s LEU 198 N 0.16 4.30 -0.18 3.92 2.96 -1.26 -5.09 118.68 123.49 3g2o s LEU 198 Ca -0.10 -1.60 -0.24 0.00 -0.22 0.00 0.00 54.13 51.97 3g2o s LEU 198 Cb -0.16 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3g2o s LEU 198 CO 0.06 -0.34 0.76 -1.00 -1.32 0.00 0.00 176.35 174.51 3g2o s HIS 199 N 1.16 3.40 -0.14 5.38 3.76 -1.26 -4.07 115.29 123.52 3g2o s HIS 199 Ca -0.00 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 3g2o s HIS 199 Cb -0.20 -2.93 0.02 0.00 1.11 0.00 0.00 32.58 30.57 3g2o s HIS 199 CO -0.03 -0.22 -0.12 0.08 -0.85 0.00 0.00 174.74 173.59 3g2o s VAL 200 N 2.08 1.43 0.10 -0.90 1.01 -1.17 -5.00 120.40 117.94 3g2o s VAL 200 Ca 0.35 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3g2o s VAL 200 Cb -0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3g2o s VAL 200 CO 0.11 0.42 -0.18 -0.13 0.00 0.00 0.00 175.10 175.33 3g2o s ARG 201 N 1.54 1.86 -0.22 2.72 0.52 -1.26 -2.03 118.95 122.08 3g2o s ARG 201 Ca 0.05 -1.13 -0.03 0.00 -0.52 0.00 0.00 55.73 54.10 3g2o s ARG 201 Cb -0.13 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 3g2o s ARG 201 CO -0.10 0.50 -0.06 -1.01 0.02 0.00 0.00 175.30 174.65 3g2o s HIS 202 N -1.09 2.94 -0.15 -0.53 3.76 -1.26 -5.08 115.29 113.88 3g2o s HIS 202 Ca 0.17 -1.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.01 3g2o s HIS 202 Cb -0.11 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 3g2o s HIS 202 CO 0.09 -0.58 0.07 -0.51 -0.85 0.00 0.00 174.74 172.96 3g2o s LEU 203 N 1.46 3.88 0.39 0.89 1.43 -1.26 -4.60 118.68 120.87 3g2o s LEU 203 Ca 0.06 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 3g2o s LEU 203 Cb -0.14 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 3g2o s LEU 203 CO -0.04 0.25 1.31 -2.16 0.23 0.00 0.00 176.35 175.94 3g2o s PRO 204 N -0.10 4.05 0.02 1.29 0.04 -1.26 -4.91 135.00 134.13 3g2o s PRO 204 Ca 0.07 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3g2o s PRO 204 Cb -0.12 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3g2o s PRO 204 CO 0.01 -0.43 0.00 0.00 0.04 0.00 0.00 177.00 176.62 3g2o n ALA 205 N 0.27 3.00 -3.56 8.56 0.00 -1.26 -4.65 120.51 122.88 3g2o n ALA 205 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3g2o n ALA 205 Cb 0.43 0.37 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 3g2o n ALA 205 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3g2o s GLU 206 N -2.00 0.25 0.43 0.00 2.12 -1.26 -1.52 118.70 116.72 3g2o s GLU 206 Ca 0.00 0.51 0.06 0.00 0.36 0.00 0.00 54.97 55.90 3g2o s GLU 206 Cb 0.00 -0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.30 3g2o s GLU 206 CO 0.00 -0.13 0.06 -1.21 -0.54 0.00 0.00 175.26 173.44 3g2o s GLU 207 N 0.96 2.07 -0.22 4.30 2.02 -0.09 -4.99 118.70 122.75 3g2o s GLU 207 Ca -0.07 -2.10 -0.03 0.00 0.02 0.00 0.00 54.97 52.79 3g2o s GLU 207 Cb -0.08 -1.71 -0.00 0.00 0.10 0.00 0.00 34.13 32.44 3g2o s GLU 207 CO -0.06 -0.14 -0.05 0.42 0.02 0.00 0.00 175.26 175.44 3g2o s ILE 208 N -2.72 3.24 -0.31 -1.63 1.01 -1.26 -1.16 121.20 118.37 3g2o s ILE 208 Ca 0.31 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 3g2o s ILE 208 Cb 0.07 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3g2o s ILE 208 CO 0.17 0.40 0.90 -1.58 0.00 0.00 0.00 174.94 174.82 3g2o s GLN 209 N 1.45 4.00 -0.19 2.79 0.74 0.10 -4.89 119.66 123.66 3g2o s GLN 209 Ca 0.05 0.77 -0.03 0.00 0.05 0.00 0.00 55.36 56.20 3g2o s GLN 209 Cb -0.14 -3.73 -0.01 0.00 1.10 0.00 0.00 33.01 30.22 3g2o s GLN 209 CO -0.04 -0.76 -0.06 -2.00 -0.55 0.00 0.00 175.29 171.88 3g2o s GLU 210 N 3.21 3.43 0.10 1.67 2.12 -1.26 -1.53 118.70 126.43 3g2o s GLU 210 Ca 0.37 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 55.16 3g2o s GLU 210 Cb -0.13 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 3g2o s GLU 210 CO 0.13 -0.02 -0.16 0.96 -0.54 0.00 0.00 175.26 175.62 3g2o s ILE 211 N 1.02 2.94 -0.07 -3.70 -4.36 -0.66 -5.00 121.20 111.38 3g2o s ILE 211 Ca 0.00 -1.39 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 3g2o s ILE 211 Cb -0.15 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3g2o s ILE 211 CO -0.00 0.15 -0.07 -0.89 0.24 0.00 0.00 174.94 174.37 3g2o s THR 212 N -1.11 0.82 -0.06 8.37 2.01 -1.26 -2.42 115.64 121.98 3g2o s THR 212 Ca 0.18 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.95 3g2o s THR 212 Cb -0.11 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3g2o s THR 212 CO 0.10 0.30 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.54 3g2o s ILE 213 N 1.04 1.37 0.09 1.82 1.01 0.13 -4.98 121.20 121.68 3g2o s ILE 213 Ca -0.08 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3g2o s ILE 213 Cb -0.14 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3g2o s ILE 213 CO -0.00 0.40 0.16 -1.38 0.00 0.00 0.00 174.94 174.12 3g2o s HIS 214 N 0.42 0.28 0.56 3.97 -3.43 -1.26 0.10 115.29 115.93 3g2o s HIS 214 Ca -0.12 -0.72 -0.20 0.00 -0.80 0.00 0.00 55.06 53.22 3g2o s HIS 214 Cb -0.15 -0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 3g2o s HIS 214 CO 0.04 -0.54 1.20 -1.25 -2.00 0.00 0.00 174.74 172.19 3g2o s PRO 215 N -3.89 3.18 0.56 -0.38 0.04 -1.26 -4.92 135.00 128.32 3g2o s PRO 215 Ca 0.08 1.80 0.36 0.00 0.04 0.00 0.00 61.00 63.28 3g2o s PRO 215 Cb 0.05 -2.03 1.67 0.00 0.04 0.00 0.00 34.50 34.23 3g2o s PRO 215 CO -0.09 -1.04 2.08 0.00 0.04 0.00 0.00 177.00 177.99 3g2o h ALA 216 N 1.16 1.00 -3.00 8.56 0.00 -2.01 -3.43 119.26 121.54 3g2o h ALA 216 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3g2o h ALA 216 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3g2o h ALA 216 CO 0.56 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 3g2o n ASP 217 N -3.00 0.00 0.00 0.00 9.92 -1.26 -5.07 116.55 117.14 3g2o n ASP 217 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3g2o n ASP 217 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3g2o n ASP 217 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3g2o n GLU 218 N 0.00 1.08 0.00 -1.24 2.13 -1.26 -5.02 120.64 116.32 3g2o n GLU 218 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3g2o n GLU 218 Cb 0.00 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.06 3g2o n GLU 218 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3g2o n THR 219 N -1.07 0.00 0.00 6.31 -2.24 -1.26 -4.85 114.28 111.17 3g2o n THR 219 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3g2o n THR 219 Cb 0.15 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3g2o n THR 219 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3g2o n THR 220 N 0.00 0.00 0.00 4.28 -1.04 -1.26 -4.20 114.28 112.06 3g2o n THR 220 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3g2o n THR 220 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3g2o n THR 220 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3g2o n ASP 221 N 1.44 0.00 -4.61 8.00 4.64 -1.26 -4.88 116.55 119.88 3g2o n ASP 221 Ca 0.00 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.05 3g2o n ASP 221 Cb 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 39.98 3g2o n ASP 221 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3g2o s PRO 222 N 0.00 3.95 -0.69 -0.67 0.04 -1.26 -4.86 135.00 131.51 3g2o s PRO 222 Ca 0.00 -0.34 -0.19 0.00 0.04 0.00 0.00 61.00 60.51 3g2o s PRO 222 Cb 0.00 -3.40 0.11 0.00 0.04 0.00 0.00 34.50 31.25 3g2o s PRO 222 CO 0.00 0.07 0.85 0.12 0.04 0.00 0.00 177.00 178.08 3g2o s PHE 223 N 0.97 3.00 -0.13 0.56 5.36 0.23 -4.98 117.98 122.99 3g2o s PHE 223 Ca 0.06 -1.03 -0.16 0.00 -0.96 0.00 0.00 56.93 54.83 3g2o s PHE 223 Cb -0.14 -4.12 -0.04 0.00 -0.34 0.00 0.00 43.02 38.38 3g2o s PHE 223 CO 0.03 -1.39 0.41 0.14 -1.46 0.00 0.00 175.22 172.95 3g2o s VAL 224 N 2.81 5.23 -0.25 3.12 -7.23 -1.26 -0.68 120.40 122.14 3g2o s VAL 224 Ca 0.18 0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 61.12 3g2o s VAL 224 Cb -0.18 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.03 3g2o s VAL 224 CO 0.03 0.35 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.45 3g2o s VAL 225 N 0.54 3.19 -0.16 1.32 1.01 0.26 -4.31 120.40 122.26 3g2o s VAL 225 Ca 0.22 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 3g2o s VAL 225 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3g2o s VAL 225 CO 0.08 0.24 0.29 0.00 0.00 0.00 0.00 175.10 175.71 3g2o s THR 227 N 0.41 1.98 -0.17 0.00 -4.23 -1.03 0.18 115.64 112.78 3g2o s THR 227 Ca 0.17 -2.27 -0.28 0.00 -1.18 0.00 0.00 61.69 58.12 3g2o s THR 227 Cb -0.13 -2.12 0.10 0.00 1.34 0.00 0.00 72.50 71.68 3g2o s THR 227 CO 0.04 -0.53 0.85 -2.28 -0.54 0.00 0.00 174.62 172.16 3g2o s HIS 228 N -2.81 -0.56 -0.09 3.99 2.46 -1.01 -0.49 115.29 116.78 3g2o s HIS 228 Ca 0.25 1.12 0.04 0.00 0.47 0.00 0.00 55.06 56.94 3g2o s HIS 228 Cb -0.02 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.82 3g2o s HIS 228 CO 0.09 -0.41 -0.21 1.03 -2.47 0.00 0.00 174.74 172.77 3g2o s ARG 229 N -0.61 2.64 0.05 2.88 0.52 -1.26 -1.65 118.95 121.52 3g2o s ARG 229 Ca -0.03 -0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 3g2o s ARG 229 Cb -0.02 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3g2o s ARG 229 CO 0.03 0.16 0.04 -0.98 0.02 0.00 0.00 175.30 174.57 3g2o s ARG 230 N 0.37 0.63 0.35 3.54 1.70 -0.58 -4.99 118.95 119.97 3g2o s ARG 230 Ca -0.16 -1.03 -0.28 0.00 -0.47 0.00 0.00 55.73 53.79 3g2o s ARG 230 Cb -0.17 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 3g2o s ARG 230 CO 0.07 -0.15 1.28 0.50 -1.08 0.00 0.00 175.30 175.93 3g2o s ARG 231 N -3.48 4.27 -0.31 3.89 3.52 -1.26 0.03 118.95 125.61 3g2o s ARG 231 Ca 0.03 2.15 -0.02 0.00 -0.13 0.00 0.00 55.73 57.75 3g2o s ARG 231 Cb 0.04 -2.98 0.12 0.00 -1.56 0.00 0.00 34.95 30.57 3g2o s ARG 231 CO -0.09 -0.24 0.18 -1.17 -0.81 0.00 0.00 175.30 173.18 3g2o s LEU 232 N -1.96 0.53 0.38 -0.88 2.96 -0.31 -4.73 118.68 114.67 3g2o s LEU 232 Ca 0.51 -1.46 -0.25 0.00 -0.22 0.00 0.00 54.13 52.71 3g2o s LEU 232 Cb -0.38 -0.23 -0.09 0.00 0.50 0.00 0.00 46.19 45.99 3g2o s LEU 232 CO 0.50 -0.40 1.06 -0.76 -1.32 0.00 0.00 176.35 175.44 3g2o s LEU 233 N 1.85 4.22 0.17 -0.68 1.43 -1.26 -0.91 118.68 123.50 3g2o s LEU 233 Ca 0.12 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 3g2o s LEU 233 Cb -0.17 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 3g2o s LEU 233 CO -0.26 -0.43 1.36 0.00 0.23 0.00 0.00 176.35 177.24 3g2o s ALA 234 N -1.55 3.56 0.25 4.21 0.00 -0.58 -4.81 121.76 122.84 3g2o s ALA 234 Ca 0.55 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 3g2o s ALA 234 Cb -0.24 -3.51 0.49 0.00 0.00 0.00 0.00 23.12 19.86 3g2o s ALA 234 CO 0.30 -0.59 1.73 -1.35 0.00 0.00 0.00 175.76 175.85 3g2o h PRO 235 N 5.89 0.44 -0.08 0.00 0.11 -1.90 -0.66 132.00 135.79 3g2o h PRO 235 Ca -0.44 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3g2o h PRO 235 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g2o h PRO 235 CO 0.81 0.29 0.06 -0.44 -0.21 0.00 0.00 178.00 178.51 3g2o h ASP 236 N 0.45 0.07 -0.32 -2.05 3.32 -1.92 -1.50 116.42 114.47 3g2o h ASP 236 Ca 0.43 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 3g2o h ASP 236 Cb 0.67 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3g2o h ASP 236 CO -0.41 0.05 0.01 -0.61 -1.72 0.00 0.00 179.24 176.55 3g2o h GLN 237 N 0.08 0.56 -0.62 3.56 5.75 -1.39 -1.03 115.11 122.02 3g2o h GLN 237 Ca 0.03 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3g2o h GLN 237 Cb 0.03 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3g2o h GLN 237 CO -0.01 0.69 0.15 0.28 -2.65 0.00 0.00 178.83 177.29 3g2o h VAL 238 N 0.37 1.25 -0.48 2.39 2.07 -1.18 -0.85 116.25 119.82 3g2o h VAL 238 Ca 0.09 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3g2o h VAL 238 Cb 0.43 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3g2o h VAL 238 CO 0.01 0.35 0.23 0.58 0.02 0.00 0.00 177.57 178.77 3g2o h VAL 239 N 0.92 0.94 -0.62 2.57 2.07 -1.22 0.64 116.25 121.54 3g2o h VAL 239 Ca 0.20 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3g2o h VAL 239 Cb 0.36 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3g2o h VAL 239 CO 0.00 0.08 0.39 0.03 0.02 0.00 0.00 177.57 178.09 3g2o h ARG 240 N 0.46 0.74 -0.61 1.57 3.08 -0.86 -2.01 114.38 116.75 3g2o h ARG 240 Ca 0.21 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 3g2o h ARG 240 Cb 0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3g2o h ARG 240 CO -0.16 0.49 0.19 0.93 -1.07 0.00 0.00 179.97 180.35 3g2o h GLU 241 N 0.76 0.95 -0.28 0.04 5.08 -0.65 -1.73 114.58 118.75 3g2o h GLU 241 Ca 0.25 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g2o h GLU 241 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3g2o h GLU 241 CO -0.10 0.84 0.17 -0.07 -1.00 0.00 0.00 179.01 178.85 3g2o h LEU 242 N 0.87 0.34 -0.28 1.33 3.38 -0.69 -0.63 115.31 119.62 3g2o h LEU 242 Ca 0.20 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3g2o h LEU 242 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3g2o h LEU 242 CO -0.01 0.29 0.14 0.58 0.09 0.00 0.00 178.44 179.54 3g2o h VAL 243 N 0.35 0.99 -0.54 1.22 2.07 -1.30 -1.23 116.25 117.81 3g2o h VAL 243 Ca 0.10 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3g2o h VAL 243 Cb 0.02 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3g2o h VAL 243 CO -0.02 0.05 0.36 -0.09 0.02 0.00 0.00 177.57 177.90 3g2o h ARG 244 N 0.30 0.40 -0.00 1.57 2.43 -1.16 -0.93 114.38 116.99 3g2o h ARG 244 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3g2o h ARG 244 Cb 0.03 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3g2o h ARG 244 CO -0.08 0.27 -0.02 0.43 -1.51 0.00 0.00 179.97 179.06 3g2o n SER 245 N -4.47 0.02 0.00 -3.80 7.64 -0.26 -4.91 113.62 107.84 3g2o n SER 245 Ca 0.08 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.40 3g2o n SER 245 Cb 0.30 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3g2o n SER 245 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g2o n GLY 246 N 1.49 0.94 3.86 0.23 0.00 -0.35 -4.92 105.19 106.44 3g2o n GLY 246 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3g2o n GLY 246 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g2o s PHE 247 N -2.00 3.40 -0.25 1.61 0.08 -0.55 -4.33 117.98 115.94 3g2o s PHE 247 Ca 0.00 1.17 -0.13 0.00 0.12 0.00 0.00 56.93 58.10 3g2o s PHE 247 Cb 0.00 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 3g2o s PHE 247 CO 0.00 0.02 0.26 -0.51 -0.10 0.00 0.00 175.22 174.89 3g2o s ASP 248 N -2.55 6.18 -0.45 1.36 1.11 0.76 -3.92 116.67 119.15 3g2o s ASP 248 Ca 0.53 0.19 -0.22 0.00 0.18 0.00 0.00 52.55 53.24 3g2o s ASP 248 Cb -0.10 -2.16 0.03 0.00 1.07 0.00 0.00 42.92 41.76 3g2o s ASP 248 CO 0.22 -0.05 0.73 -0.69 1.18 0.00 0.00 175.17 176.56 3g2o s VAL 249 N 1.52 4.71 -1.11 -1.27 1.01 -1.26 -1.02 120.40 122.98 3g2o s VAL 249 Ca 0.11 0.28 0.20 0.00 0.00 0.00 0.00 61.98 62.57 3g2o s VAL 249 Cb -0.15 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 3g2o s VAL 249 CO 0.08 -0.69 0.89 2.30 0.00 0.00 0.00 175.10 177.68 3g2o n ILE 250 N 6.02 0.00 -3.58 2.22 -5.35 -0.29 -4.95 119.36 113.42 3g2o n ILE 250 Ca 0.01 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3g2o n ILE 250 Cb 0.48 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 3g2o n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g2o s ALA 251 N -2.82 -1.90 -0.14 -1.28 0.00 -1.23 -5.00 121.76 109.40 3g2o s ALA 251 Ca 0.09 1.63 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 3g2o s ALA 251 Cb 0.16 -0.75 0.05 0.00 0.00 0.00 0.00 23.12 22.58 3g2o s ALA 251 CO 0.78 -0.31 0.09 -0.65 0.00 0.00 0.00 175.76 175.67 3g2o s GLN 252 N -0.72 0.03 -0.21 0.00 -0.21 -1.26 -1.12 119.66 116.17 3g2o s GLN 252 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.42 3g2o s GLN 252 Cb -0.02 -1.45 0.03 0.00 1.00 0.00 0.00 33.01 32.57 3g2o s GLN 252 CO 0.02 -0.58 -0.15 0.99 -2.12 0.00 0.00 175.29 173.45 3g2o s THR 253 N 2.16 2.33 0.46 -0.19 2.01 -0.31 -4.91 115.64 117.20 3g2o s THR 253 Ca 0.03 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 3g2o s THR 253 Cb -0.15 -2.09 -0.07 0.00 0.01 0.00 0.00 72.50 70.19 3g2o s THR 253 CO -0.08 0.37 1.17 -2.84 -0.69 0.00 0.00 174.62 172.55 3g2o s PRO 254 N 1.28 3.74 0.14 4.92 0.02 -1.26 0.08 135.00 143.92 3g2o s PRO 254 Ca 0.02 1.77 -0.16 0.00 0.02 0.00 0.00 61.00 62.65 3g2o s PRO 254 Cb -0.15 -2.39 0.03 0.00 0.02 0.00 0.00 34.50 32.01 3g2o s PRO 254 CO -0.09 -0.57 0.42 -0.59 -0.33 0.00 0.00 177.00 175.84 3g2o s PHE 255 N -1.55 -0.15 -0.15 6.54 -0.12 0.13 -4.89 117.98 117.79 3g2o s PHE 255 Ca 0.64 -0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 57.20 3g2o s PHE 255 Cb -0.29 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3g2o s PHE 255 CO 0.35 -0.74 0.35 0.00 -0.05 0.00 0.00 175.22 175.12 3g2o s ALA 256 N -3.83 3.55 0.37 1.99 0.00 -1.26 -1.78 121.76 120.81 3g2o s ALA 256 Ca 0.05 -0.38 0.23 0.00 0.00 0.00 0.00 51.96 51.86 3g2o s ALA 256 Cb 0.01 -2.48 1.19 0.00 0.00 0.00 0.00 23.12 21.85 3g2o s ALA 256 CO -0.10 0.04 1.98 0.66 0.00 0.00 0.00 175.76 178.35 3g2o h SER 257 N 6.74 0.00 -1.91 0.00 4.64 -1.89 -2.09 113.55 119.04 3g2o h SER 257 Ca -0.41 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.23 3g2o h SER 257 Cb 1.17 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.91 3g2o h SER 257 CO 0.76 0.19 0.14 0.61 -0.87 0.00 0.00 176.83 177.65 3g2o n GLY 258 N -0.56 5.81 4.69 -0.77 0.00 -1.26 -4.59 105.19 108.52 3g2o n GLY 258 Ca -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.35 3g2o n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g2o n GLY 259 N -0.40 0.00 3.23 -0.02 0.00 -0.79 -4.67 105.19 102.55 3g2o n GLY 259 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 3g2o n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2o s ALA 260 N 0.00 -0.06 0.00 4.61 0.00 -1.26 -4.78 121.76 120.26 3g2o s ALA 260 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3g2o s ALA 260 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3g2o s ALA 260 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3g2o n GLY 261 N -0.10 -1.40 3.76 0.00 0.00 -1.26 -4.85 105.19 101.35 3g2o n GLY 261 Ca -0.12 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 3g2o n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g2o s ARG 262 N 0.00 4.18 -0.34 1.61 3.52 -1.26 -4.85 118.95 121.81 3g2o s ARG 262 Ca 0.00 2.47 -0.28 0.00 -0.13 0.00 0.00 55.73 57.79 3g2o s ARG 262 Cb 0.00 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3g2o s ARG 262 CO 0.00 -0.50 1.74 0.15 -0.81 0.00 0.00 175.30 175.88 3g2o s LYS 263 N -1.19 3.37 -0.08 5.12 1.02 -1.26 -4.48 119.74 122.24 3g2o s LYS 263 Ca 0.57 1.35 0.12 0.00 0.02 0.00 0.00 55.97 58.03 3g2o s LYS 263 Cb -0.45 -4.17 0.32 0.00 -0.52 0.00 0.00 37.83 33.01 3g2o s LYS 263 CO 0.53 -1.82 1.25 -0.40 -0.92 0.00 0.00 175.35 173.99 3g2o n ASP 264 N 10.07 2.98 -3.66 2.83 5.75 -0.87 -4.83 116.55 128.82 3g2o n ASP 264 Ca 0.22 -2.55 -0.15 0.00 -0.01 0.00 0.00 54.79 52.30 3g2o n ASP 264 Cb 0.47 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.15 3g2o n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3g2o s MET 265 N -1.97 0.83 -0.06 0.11 0.00 -0.73 -0.86 119.30 116.62 3g2o s MET 265 Ca 0.27 0.03 0.05 0.00 0.00 0.00 0.00 55.69 56.03 3g2o s MET 265 Cb 0.20 0.38 -0.00 0.00 0.00 0.00 0.00 34.83 35.41 3g2o s MET 265 CO 0.08 -0.24 -0.21 0.08 0.00 0.00 0.00 175.02 174.74 3g2o s VAL 266 N -1.21 1.72 -0.40 10.11 1.01 0.40 0.20 120.40 132.24 3g2o s VAL 266 Ca -0.12 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 3g2o s VAL 266 Cb -0.03 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3g2o s VAL 266 CO 0.06 0.49 0.35 -0.22 0.00 0.00 0.00 175.10 175.79 3g2o s LEU 267 N 0.08 4.84 -0.15 3.92 1.98 0.11 -0.87 118.68 128.60 3g2o s LEU 267 Ca -0.07 -0.65 -0.07 0.00 -2.89 0.00 0.00 54.13 50.44 3g2o s LEU 267 Cb -0.14 -2.27 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 3g2o s LEU 267 CO 0.04 -0.46 0.10 -0.69 -1.89 0.00 0.00 176.35 173.46 3g2o s VAL 268 N 1.91 5.16 -0.14 1.68 1.01 0.44 -1.16 120.40 129.30 3g2o s VAL 268 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3g2o s VAL 268 Cb -0.18 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3g2o s VAL 268 CO 0.12 0.53 -0.12 -1.61 0.00 0.00 0.00 175.10 174.02 3g2o s GLU 269 N -0.28 3.41 0.01 2.72 2.02 -0.28 -1.58 118.70 124.72 3g2o s GLU 269 Ca 0.10 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3g2o s GLU 269 Cb -0.12 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 3g2o s GLU 269 CO 0.01 0.18 -0.10 0.00 0.02 0.00 0.00 175.26 175.37 3g2o s ALA 270 N 0.44 0.85 0.14 5.21 0.00 -0.24 -1.14 121.76 127.02 3g2o s ALA 270 Ca -0.09 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3g2o s ALA 270 Cb -0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3g2o s ALA 270 CO 0.05 0.17 -0.05 0.14 0.00 0.00 0.00 175.76 176.07 3g2o s VAL 271 N -0.52 0.82 0.19 0.00 -7.23 -0.19 -0.69 120.40 112.78 3g2o s VAL 271 Ca 0.01 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 3g2o s VAL 271 Cb -0.05 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 3g2o s VAL 271 CO 0.00 -0.70 0.95 -0.04 -0.31 0.00 0.00 175.10 175.01 3g2o s MET 272 N -3.84 4.80 0.54 4.82 -1.94 -1.26 -0.17 119.30 122.25 3g2o s MET 272 Ca 0.17 1.49 -0.16 0.00 -1.71 0.00 0.00 55.69 55.48 3g2o s MET 272 Cb 0.05 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.51 3g2o s MET 272 CO -0.00 0.40 1.01 -1.25 -0.01 0.00 0.00 175.02 175.16 3g2o s PRO 273 N -0.76 3.76 0.00 2.03 0.05 -1.26 -4.88 135.00 133.94 3g2o s PRO 273 Ca 0.43 1.00 0.00 0.00 0.05 0.00 0.00 61.00 62.48 3g2o s PRO 273 Cb -0.25 -2.10 0.00 0.00 0.05 0.00 0.00 34.50 32.19 3g2o s PRO 273 CO 0.31 -0.43 0.00 0.41 0.05 0.00 0.00 177.00 177.34