#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4i s VAL 3 N 0.00 0.95 -0.15 1.61 1.01 -1.03 -0.21 120.40 122.58 3h4i s VAL 3 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 3h4i s VAL 3 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3h4i s VAL 3 CO 0.00 0.29 0.10 -0.22 0.00 0.00 0.00 175.10 175.27 3h4i s LEU 4 N 0.26 4.08 -0.11 3.92 2.96 -0.57 -1.38 118.68 127.84 3h4i s LEU 4 Ca -0.05 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3h4i s LEU 4 Cb -0.10 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.59 3h4i s LEU 4 CO 0.01 0.28 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.53 3h4i s ILE 5 N -0.25 1.59 0.09 6.68 1.01 -0.21 -1.06 121.20 129.06 3h4i s ILE 5 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3h4i s ILE 5 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 3h4i s ILE 5 CO 0.01 0.46 -0.10 0.42 0.00 0.00 0.00 174.94 175.73 3h4i s THR 6 N 0.95 0.94 -0.14 2.92 -4.23 0.14 -1.46 115.64 114.77 3h4i s THR 6 Ca -0.07 -1.58 -0.32 0.00 -1.18 0.00 0.00 61.69 58.54 3h4i s THR 6 Cb -0.15 -1.29 0.13 0.00 1.34 0.00 0.00 72.50 72.53 3h4i s THR 6 CO -0.02 -0.52 1.10 -0.83 -0.54 0.00 0.00 174.62 173.81 3h4i s GLY 7 N -2.33 -0.32 -0.14 3.99 0.00 -0.94 -2.06 107.32 105.51 3h4i s GLY 7 Ca 0.04 1.54 -0.02 0.00 0.00 0.00 0.00 44.72 46.28 3h4i s GLY 7 CO 0.00 0.56 0.01 0.00 0.00 0.00 0.00 173.10 173.67 3h4i n GLY 9 N 5.06 -1.24 2.16 0.00 0.00 -1.26 -0.84 105.19 109.07 3h4i n GLY 9 Ca -0.09 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 3h4i n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h4i n SER 10 N 0.50 -0.32 -0.35 1.61 3.41 -1.26 -4.77 113.62 112.43 3h4i n SER 10 Ca 0.00 -1.19 0.05 0.00 -0.26 0.00 0.00 58.87 57.47 3h4i n SER 10 Cb 0.00 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 63.57 3h4i n SER 10 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h4i h ARG 11 N 0.00 1.00 -0.09 4.33 9.65 -1.99 -1.45 114.38 125.83 3h4i h ARG 11 Ca -0.24 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 3h4i h ARG 11 Cb 0.69 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3h4i h ARG 11 CO 0.17 0.66 -0.09 0.78 2.80 0.00 0.00 179.97 184.29 3h4i h GLY 12 N 1.03 0.14 2.00 2.80 0.00 -2.01 0.14 103.07 107.16 3h4i h GLY 12 Ca 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 3h4i h GLY 12 CO -0.23 0.07 -0.07 -0.55 0.00 0.00 0.00 176.54 175.76 3h4i h ASP 13 N 0.13 0.00 0.00 0.19 3.32 -1.60 -3.39 116.42 115.07 3h4i h ASP 13 Ca 0.03 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.66 3h4i h ASP 13 Cb 0.24 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 3h4i h ASP 13 CO 0.01 0.07 -2.46 0.41 -1.72 0.00 0.00 179.24 175.55 3h4i n THR 14 N -3.12 1.52 -0.24 0.35 -1.04 -0.63 -4.44 114.28 106.68 3h4i n THR 14 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 3h4i n THR 14 Cb 0.53 -1.61 0.12 0.00 -1.82 0.00 0.00 70.33 67.56 3h4i n THR 14 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h4i h GLU 15 N -0.38 0.61 -0.62 -2.82 4.57 -0.96 -0.91 114.58 114.06 3h4i h GLU 15 Ca -0.62 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.54 3h4i h GLU 15 Cb 1.79 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 30.21 3h4i h GLU 15 CO -0.21 0.40 0.41 -1.35 -1.18 0.00 0.00 179.01 177.09 3h4i h PRO 16 N 0.63 0.79 -0.42 0.92 0.11 -1.76 -0.63 132.00 131.64 3h4i h PRO 16 Ca 0.33 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 3h4i h PRO 16 Cb 0.31 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3h4i h PRO 16 CO -0.24 0.53 0.06 -0.07 -0.21 0.00 0.00 178.00 178.07 3h4i h LEU 17 N 0.82 0.68 -0.74 2.35 3.38 -1.42 -1.55 115.31 118.82 3h4i h LEU 17 Ca 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h4i h LEU 17 Cb -0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3h4i h LEU 17 CO -0.05 0.78 0.43 0.58 0.09 0.00 0.00 178.44 180.26 3h4i h VAL 18 N 0.56 1.22 -0.40 1.22 2.07 -0.84 -0.56 116.25 119.53 3h4i h VAL 18 Ca 0.13 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3h4i h VAL 18 Cb 0.39 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3h4i h VAL 18 CO 0.01 0.23 0.16 0.00 0.02 0.00 0.00 177.57 178.00 3h4i h ALA 19 N 1.22 0.48 -0.41 1.67 0.00 -0.92 -0.23 119.26 121.07 3h4i h ALA 19 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3h4i h ALA 19 Cb -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h4i h ALA 19 CO -0.05 -0.22 0.12 1.25 0.00 0.00 0.00 179.25 180.35 3h4i h LEU 20 N 0.34 0.61 -0.38 0.00 5.85 -0.97 -1.23 115.31 119.53 3h4i h LEU 20 Ca 0.18 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3h4i h LEU 20 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3h4i h LEU 20 CO -0.16 0.66 0.18 0.00 -0.34 0.00 0.00 178.44 178.78 3h4i h ALA 21 N 0.97 0.46 -0.71 1.25 0.00 -0.83 -0.40 119.26 119.99 3h4i h ALA 21 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3h4i h ALA 21 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3h4i h ALA 21 CO -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.24 3h4i h ALA 22 N 1.21 0.98 -0.46 0.00 0.00 -0.91 -1.77 119.26 118.31 3h4i h ALA 22 Ca 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3h4i h ALA 22 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h4i h ALA 22 CO -0.13 0.66 0.08 -0.09 0.00 0.00 0.00 179.25 179.77 3h4i h ARG 23 N 1.07 0.77 -0.91 0.00 9.65 -0.88 -1.68 114.38 122.41 3h4i h ARG 23 Ca 0.23 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3h4i h ARG 23 Cb 0.35 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3h4i h ARG 23 CO -0.00 0.78 0.56 -0.07 2.80 0.00 0.00 179.97 184.05 3h4i h LEU 24 N 0.64 1.07 -0.83 3.80 3.38 -0.83 -1.50 115.31 121.03 3h4i h LEU 24 Ca 0.14 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3h4i h LEU 24 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3h4i h LEU 24 CO 0.01 0.81 0.06 0.03 0.09 0.00 0.00 178.44 179.43 3h4i h ARG 25 N 1.24 0.93 -0.41 1.13 3.08 -1.10 -0.66 114.38 118.58 3h4i h ARG 25 Ca 0.33 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3h4i h ARG 25 Cb -0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3h4i h ARG 25 CO -0.06 0.89 0.28 1.49 -1.07 0.00 0.00 179.97 181.49 3h4i h GLU 26 N 0.87 0.52 -0.23 0.04 4.81 -0.73 -1.92 114.58 117.94 3h4i h GLU 26 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3h4i h GLU 26 Cb 0.43 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3h4i h GLU 26 CO 0.01 0.34 0.00 1.28 -0.73 0.00 0.00 179.01 179.92 3h4i n LEU 27 N -4.48 1.53 0.00 1.64 4.77 -0.62 -4.92 117.00 114.93 3h4i n LEU 27 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3h4i n LEU 27 Cb 0.08 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3h4i n LEU 27 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3h4i n GLY 28 N 1.03 0.67 3.74 -0.72 0.00 -0.72 -3.90 105.19 105.28 3h4i n GLY 28 Ca 0.13 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 3h4i n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4i s ALA 29 N -2.00 3.53 -1.36 4.61 0.00 -0.33 -4.67 121.76 121.54 3h4i s ALA 29 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 3h4i s ALA 29 Cb 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.39 3h4i s ALA 29 CO 0.00 0.48 1.98 -3.47 0.00 0.00 0.00 175.76 174.75 3h4i n ASP 30 N 2.48 4.33 -4.73 0.00 2.03 -1.26 -3.31 116.55 116.09 3h4i n ASP 30 Ca -0.18 -2.87 -0.41 0.00 0.52 0.00 0.00 54.79 51.85 3h4i n ASP 30 Cb 0.54 -1.69 -0.04 0.00 -0.72 0.00 0.00 41.12 39.20 3h4i n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h4i s ALA 31 N 3.94 3.27 0.14 -1.67 0.00 -1.26 -2.46 121.76 123.72 3h4i s ALA 31 Ca 0.51 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 3h4i s ALA 31 Cb 0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3h4i s ALA 31 CO 0.00 -0.02 0.05 -0.98 0.00 0.00 0.00 175.76 174.81 3h4i s ARG 32 N 0.06 0.99 0.10 0.00 3.03 -0.48 -4.46 118.95 118.19 3h4i s ARG 32 Ca 0.45 -1.47 0.05 0.00 2.03 0.00 0.00 55.73 56.79 3h4i s ARG 32 Cb -0.22 0.12 -0.03 0.00 -1.03 0.00 0.00 34.95 33.78 3h4i s ARG 32 CO 0.28 -0.24 -0.12 -1.64 -1.13 0.00 0.00 175.30 172.45 3h4i s MET 33 N -4.02 0.90 -0.18 3.89 -1.94 -0.27 -1.04 119.30 116.64 3h4i s MET 33 Ca 0.25 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 3h4i s MET 33 Cb 0.07 -0.72 0.02 0.00 2.01 0.00 0.00 34.83 36.22 3h4i s MET 33 CO 0.03 0.13 -0.18 0.00 -0.01 0.00 0.00 175.02 174.99 3h4i s LEU 35 N 1.34 1.58 0.82 0.00 1.43 -0.99 -2.23 118.68 120.63 3h4i s LEU 35 Ca 0.04 -1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 51.96 3h4i s LEU 35 Cb -0.13 0.61 0.09 0.00 0.03 0.00 0.00 46.19 46.78 3h4i s LEU 35 CO -0.12 -0.76 1.19 -2.65 0.23 0.00 0.00 176.35 174.23 3h4i n PRO 36 N -0.11 0.13 0.13 1.29 -0.02 -1.25 -0.60 135.00 134.58 3h4i n PRO 36 Ca -0.08 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 3h4i n PRO 36 Cb 0.63 -2.42 0.48 0.00 -0.02 0.00 0.00 33.50 32.17 3h4i n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h4i n PRO 37 N -3.31 0.13 0.03 0.52 -0.04 -1.26 -2.40 135.00 128.67 3h4i n PRO 37 Ca 0.13 0.54 0.21 0.00 -0.04 0.00 0.00 63.50 64.34 3h4i n PRO 37 Cb 0.50 -1.86 0.72 0.00 -0.04 0.00 0.00 33.50 32.83 3h4i n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h4i h ASP 38 N 0.00 0.00 -0.58 3.54 3.32 -1.91 -3.07 116.42 117.73 3h4i h ASP 38 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h4i h ASP 38 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3h4i h ASP 38 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3h4i n TYR 39 N -4.13 0.92 -0.01 4.55 4.01 -1.01 -4.53 117.16 116.97 3h4i n TYR 39 Ca 0.09 -0.54 -0.09 0.00 -0.16 0.00 0.00 57.90 57.20 3h4i n TYR 39 Cb 0.61 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 3h4i n TYR 39 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3h4i h VAL 40 N 3.47 0.69 -0.51 -0.72 2.07 -1.75 -1.76 116.25 117.73 3h4i h VAL 40 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3h4i h VAL 40 Cb 1.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3h4i h VAL 40 CO 0.06 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 177.65 3h4i h GLU 41 N -0.11 0.85 -0.43 1.57 4.81 -1.87 -2.21 114.58 117.19 3h4i h GLU 41 Ca 0.09 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3h4i h GLU 41 Cb 0.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3h4i h GLU 41 CO -0.21 0.84 0.26 -0.09 -0.73 0.00 0.00 179.01 179.08 3h4i h ARG 42 N 0.73 0.52 -0.41 1.92 9.65 -1.81 -1.70 114.38 123.29 3h4i h ARG 42 Ca 0.16 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 3h4i h ARG 42 Cb 0.40 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3h4i h ARG 42 CO 0.01 0.34 -0.01 0.00 2.80 0.00 0.00 179.97 183.12 3h4i h ALA 44 N 0.89 1.14 0.00 0.00 0.00 -1.20 -1.33 119.26 118.76 3h4i h ALA 44 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h4i h ALA 44 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h4i h ALA 44 CO 0.02 0.65 0.00 -0.85 0.00 0.00 0.00 179.25 179.07 3h4i n GLU 45 N -4.34 0.19 -0.17 0.00 0.28 -0.66 -1.82 120.64 114.12 3h4i n GLU 45 Ca 0.09 0.39 0.05 0.00 -0.16 0.00 0.00 57.16 57.54 3h4i n GLU 45 Cb 0.10 -1.84 0.15 0.00 1.43 0.00 0.00 31.44 31.27 3h4i n GLU 45 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3h4i n VAL 46 N -2.20 0.99 -1.22 3.84 0.24 -1.02 -5.00 118.33 113.97 3h4i n VAL 46 Ca 0.03 -0.99 -0.03 0.00 -2.04 0.00 0.00 64.34 61.30 3h4i n VAL 46 Cb 0.25 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.11 3h4i n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h4i n GLY 47 N 0.49 0.58 3.62 7.63 0.00 -0.76 -4.94 105.19 111.81 3h4i n GLY 47 Ca 0.11 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 3h4i n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h4i s VAL 48 N -2.12 5.20 0.19 1.61 1.01 -0.55 -5.02 120.40 120.72 3h4i s VAL 48 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3h4i s VAL 48 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 3h4i s VAL 48 CO 0.00 0.33 1.35 -2.84 0.00 0.00 0.00 175.10 173.94 3h4i s PRO 49 N 1.23 4.35 -0.01 2.72 0.02 -1.26 -4.18 135.00 137.86 3h4i s PRO 49 Ca 0.07 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 3h4i s PRO 49 Cb -0.14 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3h4i s PRO 49 CO 0.06 -0.33 0.03 1.41 -0.33 0.00 0.00 177.00 177.84 3h4i s MET 50 N 0.09 0.04 -0.25 5.54 1.75 -1.26 -1.11 119.30 124.10 3h4i s MET 50 Ca 0.59 0.05 -0.07 0.00 -1.25 0.00 0.00 55.69 55.00 3h4i s MET 50 Cb -0.38 0.01 -0.03 0.00 2.84 0.00 0.00 34.83 37.28 3h4i s MET 50 CO 0.37 -0.01 0.07 0.08 -0.65 0.00 0.00 175.02 174.89 3h4i s VAL 51 N 0.04 4.34 0.22 10.11 1.01 0.22 -4.96 120.40 131.38 3h4i s VAL 51 Ca -0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 3h4i s VAL 51 Cb -0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.26 3h4i s VAL 51 CO -0.00 0.34 1.15 -2.16 0.00 0.00 0.00 175.10 174.44 3h4i s PRO 52 N 1.57 4.55 -0.06 2.72 0.04 -1.26 -2.36 135.00 140.20 3h4i s PRO 52 Ca 0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3h4i s PRO 52 Cb -0.15 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3h4i s PRO 52 CO 0.04 0.03 -0.04 0.08 0.04 0.00 0.00 177.00 177.15 3h4i s VAL 53 N -0.45 0.57 0.00 -0.36 1.01 0.24 -4.90 120.40 116.50 3h4i s VAL 53 Ca 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3h4i s VAL 53 Cb -0.32 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3h4i s VAL 53 CO 0.38 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3h4i n GLY 54 N 4.45 -1.88 3.80 4.51 0.00 -1.26 -3.90 105.19 110.91 3h4i n GLY 54 Ca -0.18 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3h4i n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h4i s ARG 55 N 0.00 3.81 0.41 1.61 0.52 -1.26 -4.48 118.95 119.57 3h4i s ARG 55 Ca 0.00 1.28 -0.26 0.00 -0.52 0.00 0.00 55.73 56.23 3h4i s ARG 55 Cb 0.00 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 3h4i s ARG 55 CO 0.00 -0.41 1.34 0.00 0.02 0.00 0.00 175.30 176.25 3h4i s ALA 56 N -2.12 3.27 0.05 2.13 0.00 -1.26 -4.54 121.76 119.29 3h4i s ALA 56 Ca 0.65 1.30 -0.10 0.00 0.00 0.00 0.00 51.96 53.81 3h4i s ALA 56 Cb -0.15 -3.51 -0.32 0.00 0.00 0.00 0.00 23.12 19.14 3h4i s ALA 56 CO 0.22 -0.91 1.05 0.28 0.00 0.00 0.00 175.76 176.39 3h4i h VAL 57 N 2.46 1.37 -3.02 0.00 2.07 -1.95 -3.40 116.25 113.77 3h4i h VAL 57 Ca -0.50 -2.86 -0.55 0.00 0.82 0.00 0.00 66.70 63.61 3h4i h VAL 57 Cb 1.25 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 3h4i h VAL 57 CO 0.62 0.85 0.76 -0.60 0.02 0.00 0.00 177.57 179.22 3h4i s ARG 58 N -2.62 4.32 0.24 1.57 3.52 -1.26 -4.93 118.95 119.79 3h4i s ARG 58 Ca -0.07 1.75 -0.05 0.00 -0.13 0.00 0.00 55.73 57.24 3h4i s ARG 58 Cb 0.05 -3.58 0.41 0.00 -1.56 0.00 0.00 34.95 30.27 3h4i s ARG 58 CO 0.92 -0.51 1.77 0.00 -0.81 0.00 0.00 175.30 176.67 3h4i h ALA 59 N 7.64 1.10 0.00 6.12 0.00 -1.95 -0.32 119.26 131.85 3h4i h ALA 59 Ca -0.34 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h4i h ALA 59 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h4i h ALA 59 CO 0.89 -0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.86 3h4i h GLY 60 N 0.61 0.00 1.13 0.00 0.00 -1.91 -1.67 103.07 101.23 3h4i h GLY 60 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3h4i h GLY 60 CO -0.31 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 175.77 3h4i n ALA 61 N -1.85 3.33 -2.04 3.60 0.00 -0.14 -4.90 120.51 118.51 3h4i n ALA 61 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 3h4i n ALA 61 Cb 0.15 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.45 3h4i n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h4i s ARG 62 N -3.02 2.77 0.70 0.00 0.52 -0.63 -4.87 118.95 114.42 3h4i s ARG 62 Ca 0.11 -1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 3h4i s ARG 62 Cb 0.17 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.99 3h4i s ARG 62 CO 0.68 -0.38 1.09 -1.21 0.02 0.00 0.00 175.30 175.50 3h4i s GLU 63 N -4.47 2.66 0.21 3.54 0.41 -1.26 -4.95 118.70 114.83 3h4i s GLU 63 Ca 0.55 1.24 -0.32 0.00 -0.41 0.00 0.00 54.97 56.03 3h4i s GLU 63 Cb -0.10 -1.94 -0.12 0.00 -1.78 0.00 0.00 34.13 30.18 3h4i s GLU 63 CO 0.35 -1.34 1.68 -2.30 -0.49 0.00 0.00 175.26 173.16 3h4i n PRO 64 N -2.87 2.63 -0.46 0.39 -0.02 -1.26 -1.76 135.00 131.65 3h4i n PRO 64 Ca 0.09 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3h4i n PRO 64 Cb 0.53 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3h4i n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h4i n GLY 65 N 3.67 1.98 3.68 -1.23 0.00 -1.26 -5.00 105.19 107.02 3h4i n GLY 65 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h4i n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h4i s GLU 66 N -0.03 4.31 0.50 1.61 2.12 -0.72 -5.00 118.70 121.48 3h4i s GLU 66 Ca 0.00 1.71 -0.21 0.00 0.36 0.00 0.00 54.97 56.83 3h4i s GLU 66 Cb 0.00 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 3h4i s GLU 66 CO 0.00 -0.55 1.09 -0.51 -0.54 0.00 0.00 175.26 174.76 3h4i s LEU 67 N 2.65 3.86 0.74 2.70 1.43 -1.26 -4.82 118.68 123.98 3h4i s LEU 67 Ca 0.57 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 3h4i s LEU 67 Cb -0.25 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.53 3h4i s LEU 67 CO 0.20 -0.95 1.09 -2.16 0.23 0.00 0.00 176.35 174.76 3h4i s PRO 68 N -3.11 2.46 0.62 1.29 0.04 -1.26 -4.94 135.00 130.11 3h4i s PRO 68 Ca 0.68 1.15 0.35 0.00 0.04 0.00 0.00 61.00 63.22 3h4i s PRO 68 Cb -0.22 -1.92 2.05 0.00 0.04 0.00 0.00 34.50 34.46 3h4i s PRO 68 CO 0.26 -1.49 2.30 -1.00 0.04 0.00 0.00 177.00 177.11 3h4i h PRO 69 N -0.91 0.00 -0.00 0.56 0.13 -1.84 -1.77 132.00 128.17 3h4i h PRO 69 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3h4i h PRO 69 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3h4i h PRO 69 CO 0.53 0.00 -0.07 0.41 -0.23 0.00 0.00 178.00 178.63 3h4i n GLY 70 N -1.23 -0.84 3.73 1.56 0.00 -1.26 -4.80 105.19 102.34 3h4i n GLY 70 Ca -0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3h4i n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4i s ALA 71 N -2.33 3.58 0.45 4.61 0.00 -0.67 -4.91 121.76 122.49 3h4i s ALA 71 Ca 0.33 1.15 0.15 0.00 0.00 0.00 0.00 51.96 53.59 3h4i s ALA 71 Cb 0.20 -3.52 1.08 0.00 0.00 0.00 0.00 23.12 20.88 3h4i s ALA 71 CO 0.44 -0.61 2.00 0.00 0.00 0.00 0.00 175.76 177.59 3h4i h ALA 72 N 6.12 2.05 0.00 0.00 0.00 -1.90 -2.26 119.26 123.27 3h4i h ALA 72 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3h4i h ALA 72 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h4i h ALA 72 CO 0.83 -0.16 -0.06 0.93 0.00 0.00 0.00 179.25 180.79 3h4i h GLU 73 N 0.33 0.00 -0.34 0.00 3.07 -1.95 -2.85 114.58 112.84 3h4i h GLU 73 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3h4i h GLU 73 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3h4i h GLU 73 CO -0.06 0.06 0.00 1.33 -1.40 0.00 0.00 179.01 178.94 3h4i n VAL 74 N -4.10 1.09 -0.10 3.13 0.24 -0.85 -4.73 118.33 113.01 3h4i n VAL 74 Ca -0.03 -1.06 0.01 0.00 -2.04 0.00 0.00 64.34 61.23 3h4i n VAL 74 Cb 0.14 0.45 0.31 0.00 -1.47 0.00 0.00 33.84 33.27 3h4i n VAL 74 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3h4i h VAL 75 N 1.98 1.17 -0.64 3.34 3.04 -1.49 -1.20 116.25 122.45 3h4i h VAL 75 Ca 0.00 -0.42 -0.04 0.00 -1.01 0.00 0.00 66.70 65.23 3h4i h VAL 75 Cb 0.78 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 3h4i h VAL 75 CO 0.02 0.19 0.24 0.74 -1.01 0.00 0.00 177.57 177.74 3h4i h THR 76 N 0.75 1.24 -0.56 3.17 2.02 -1.85 -1.32 112.91 116.37 3h4i h THR 76 Ca 0.19 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3h4i h THR 76 Cb 0.02 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3h4i h THR 76 CO -0.03 0.30 0.23 -0.08 0.37 0.00 0.00 175.52 176.31 3h4i h GLU 77 N 0.90 0.84 0.03 6.66 4.81 -1.70 -2.15 114.58 123.95 3h4i h GLU 77 Ca 0.21 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3h4i h GLU 77 Cb 0.23 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3h4i h GLU 77 CO -0.01 0.71 -0.03 0.28 -0.73 0.00 0.00 179.01 179.23 3h4i h VAL 78 N 0.77 0.93 -0.50 0.32 2.07 -0.90 -0.07 116.25 118.87 3h4i h VAL 78 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3h4i h VAL 78 Cb 0.18 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3h4i h VAL 78 CO -0.02 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.41 3h4i h VAL 79 N -0.07 0.96 -0.70 2.57 2.07 -1.21 -1.74 116.25 118.14 3h4i h VAL 79 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3h4i h VAL 79 Cb 0.07 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3h4i h VAL 79 CO -0.01 0.09 0.45 0.00 0.02 0.00 0.00 177.57 178.12 3h4i h ALA 80 N 1.27 0.88 -0.55 1.67 0.00 -1.10 -1.81 119.26 119.63 3h4i h ALA 80 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3h4i h ALA 80 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h4i h ALA 80 CO -0.15 0.32 0.21 1.49 0.00 0.00 0.00 179.25 181.12 3h4i h GLU 81 N 0.95 0.82 -0.44 0.00 4.57 -0.47 -0.05 114.58 119.95 3h4i h GLU 81 Ca 0.25 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 3h4i h GLU 81 Cb -0.09 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 3h4i h GLU 81 CO -0.05 0.72 -0.05 -1.49 -1.18 0.00 0.00 179.01 176.96 3h4i h TRP 82 N 0.75 0.91 0.00 0.92 4.06 -1.19 -0.87 115.95 120.53 3h4i h TRP 82 Ca 0.18 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3h4i h TRP 82 Cb 0.21 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3h4i h TRP 82 CO 0.01 0.90 -0.11 0.74 -3.56 0.00 0.00 178.44 176.42 3h4i h PHE 83 N 0.66 0.00 0.13 0.49 0.04 -1.16 -2.06 116.94 115.05 3h4i h PHE 83 Ca 0.12 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.62 3h4i h PHE 83 Cb 0.57 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.75 3h4i h PHE 83 CO 0.04 0.11 -1.12 0.22 -0.60 0.00 0.00 178.31 176.96 3h4i h ASP 84 N 0.00 0.76 0.27 2.17 3.58 -0.39 -3.40 116.42 119.40 3h4i h ASP 84 Ca -0.00 -0.86 -0.24 0.00 0.42 0.00 0.00 57.03 56.35 3h4i h ASP 84 Cb 0.25 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 3h4i h ASP 84 CO 0.01 1.54 -1.96 0.29 -2.88 0.00 0.00 179.24 176.25 3h4i n LYS 85 N -3.90 0.66 -0.15 0.28 4.76 -0.39 -4.43 118.16 114.99 3h4i n LYS 85 Ca -0.14 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.29 3h4i n LYS 85 Cb 0.94 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 32.54 3h4i n LYS 85 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h4i h VAL 86 N 0.00 1.27 -0.77 -0.18 2.07 -1.59 -3.32 116.25 113.73 3h4i h VAL 86 Ca -0.32 -1.26 0.17 0.00 0.82 0.00 0.00 66.70 66.12 3h4i h VAL 86 Cb 1.84 1.03 -0.12 0.00 -1.52 0.00 0.00 31.29 32.52 3h4i h VAL 86 CO 0.04 0.44 0.18 -0.65 0.02 0.00 0.00 177.57 177.59 3h4i h PRO 87 N 0.82 0.24 -0.28 1.57 0.11 -1.77 1.00 132.00 133.69 3h4i h PRO 87 Ca 0.13 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3h4i h PRO 87 Cb 0.67 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3h4i h PRO 87 CO 0.05 0.16 -0.08 0.00 -0.21 0.00 0.00 178.00 177.92 3h4i h ALA 88 N 1.65 1.34 0.11 -0.75 0.00 -1.86 -2.64 119.26 117.11 3h4i h ALA 88 Ca 0.44 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 3h4i h ALA 88 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h4i h ALA 88 CO -0.55 0.45 -1.19 0.00 0.00 0.00 0.00 179.25 177.96 3h4i h ALA 89 N 1.49 0.14 0.00 0.00 0.00 -1.15 -3.31 119.26 116.44 3h4i h ALA 89 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3h4i h ALA 89 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h4i h ALA 89 CO 0.02 0.99 0.00 0.97 0.00 0.00 0.00 179.25 181.23 3h4i h ILE 90 N 0.08 0.00 -2.42 0.00 2.10 -0.81 -3.45 117.51 113.01 3h4i h ILE 90 Ca -0.12 -0.90 -0.57 0.00 1.08 0.00 0.00 64.86 64.36 3h4i h ILE 90 Cb 1.92 1.90 0.06 0.00 -1.09 0.00 0.00 36.82 39.61 3h4i h ILE 90 CO 0.19 0.00 0.84 1.21 -1.08 0.00 0.00 178.15 179.31 3h4i n GLU 91 N -2.95 2.30 -1.00 2.19 2.13 -1.00 -1.22 120.64 121.09 3h4i n GLU 91 Ca 0.04 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3h4i n GLU 91 Cb 0.51 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.61 3h4i n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h4i n GLY 92 N 3.41 0.54 3.88 8.31 0.00 -1.26 -4.97 105.19 115.10 3h4i n GLY 92 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3h4i n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4i n ASP 94 N 0.31 0.79 -3.47 0.00 8.00 0.71 -4.81 116.55 118.08 3h4i n ASP 94 Ca -0.04 -0.90 -0.10 0.00 0.71 0.00 0.00 54.79 54.47 3h4i n ASP 94 Cb 0.52 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.48 3h4i n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h4i s ALA 95 N -2.10 -1.74 -0.02 2.24 0.00 -1.25 -4.10 121.76 114.79 3h4i s ALA 95 Ca 0.06 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.87 3h4i s ALA 95 Cb 0.10 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3h4i s ALA 95 CO 0.49 -0.70 -0.05 0.08 0.00 0.00 0.00 175.76 175.57 3h4i s VAL 96 N -3.27 0.49 -0.05 0.00 1.01 -0.08 -1.51 120.40 116.99 3h4i s VAL 96 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3h4i s VAL 96 Cb -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3h4i s VAL 96 CO -0.10 0.17 -0.23 -0.69 0.00 0.00 0.00 175.10 174.25 3h4i s VAL 97 N 0.25 1.86 0.03 2.92 1.01 -0.22 -0.93 120.40 125.32 3h4i s VAL 97 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3h4i s VAL 97 Cb -0.07 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3h4i s VAL 97 CO -0.00 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 3h4i s THR 98 N -0.08 0.30 0.31 3.92 2.01 0.02 -0.68 115.64 121.44 3h4i s THR 98 Ca -0.04 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.12 3h4i s THR 98 Cb -0.13 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3h4i s THR 98 CO 0.03 -0.38 0.22 0.28 -0.69 0.00 0.00 174.62 174.08 3h4i s THR 99 N -1.26 0.11 0.00 -0.82 -1.32 -0.88 -0.77 115.64 110.71 3h4i s THR 99 Ca -0.11 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 3h4i s THR 99 Cb -0.09 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3h4i s THR 99 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3h4i n GLY 100 N -0.59 -0.36 3.66 6.08 0.00 -1.26 -3.63 105.19 109.09 3h4i n GLY 100 Ca 0.04 -1.41 -0.57 0.00 0.00 0.00 0.00 46.02 44.09 3h4i n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h4i n LEU 101 N 0.00 1.80 0.01 0.99 7.94 -0.02 -4.80 117.00 122.92 3h4i n LEU 101 Ca 0.00 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.89 3h4i n LEU 101 Cb 0.00 -1.11 -0.06 0.00 0.53 0.00 0.00 43.42 42.78 3h4i n LEU 101 CO 0.00 -0.81 0.87 0.25 -1.11 0.00 0.00 177.39 176.58 3h4i h LEU 102 N 5.71 0.07 -1.33 -1.96 5.85 -1.93 -1.66 115.31 120.06 3h4i h LEU 102 Ca -0.47 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.27 3h4i h LEU 102 Cb 1.34 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3h4i h LEU 102 CO 0.87 0.10 0.51 1.55 -0.34 0.00 0.00 178.44 181.13 3h4i h PRO 103 N 0.03 0.77 -0.35 5.25 0.13 -1.97 -0.29 132.00 135.57 3h4i h PRO 103 Ca 0.02 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 3h4i h PRO 103 Cb 0.05 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 3h4i h PRO 103 CO -0.00 0.51 -0.05 0.00 -0.23 0.00 0.00 178.00 178.22 3h4i h ALA 104 N 1.59 0.48 -0.81 -0.56 0.00 -1.86 -2.77 119.26 115.31 3h4i h ALA 104 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h4i h ALA 104 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3h4i h ALA 104 CO -0.12 0.30 0.53 0.00 0.00 0.00 0.00 179.25 179.95 3h4i h ALA 105 N 0.83 1.03 -0.36 0.00 0.00 -0.46 -1.45 119.26 118.85 3h4i h ALA 105 Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3h4i h ALA 105 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3h4i h ALA 105 CO 0.03 0.46 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 3h4i h VAL 106 N 1.11 1.24 -0.12 0.00 2.07 -1.09 0.58 116.25 120.04 3h4i h VAL 106 Ca 0.30 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3h4i h VAL 106 Cb -0.11 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3h4i h VAL 106 CO -0.06 0.36 0.07 0.00 0.02 0.00 0.00 177.57 177.96 3h4i h ALA 107 N 1.30 0.16 -0.29 1.67 0.00 -1.15 -1.23 119.26 119.72 3h4i h ALA 107 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h4i h ALA 107 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h4i h ALA 107 CO 0.03 -0.30 0.17 0.28 0.00 0.00 0.00 179.25 179.43 3h4i h VAL 108 N 0.10 1.11 -0.69 0.00 2.07 -0.93 -1.90 116.25 116.02 3h4i h VAL 108 Ca 0.04 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3h4i h VAL 108 Cb 0.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3h4i h VAL 108 CO -0.01 0.11 0.39 -0.09 0.02 0.00 0.00 177.57 178.00 3h4i h ARG 109 N 0.36 0.94 -0.72 1.57 2.43 -0.84 -0.70 114.38 117.42 3h4i h ARG 109 Ca 0.10 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3h4i h ARG 109 Cb 0.03 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3h4i h ARG 109 CO -0.02 0.67 0.46 0.77 -1.51 0.00 0.00 179.97 180.35 3h4i h SER 110 N 0.95 0.78 0.11 -3.80 0.02 -0.64 0.24 113.55 111.21 3h4i h SER 110 Ca 0.25 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 3h4i h SER 110 Cb -0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3h4i h SER 110 CO -0.04 0.55 -0.48 0.24 -1.14 0.00 0.00 176.83 175.96 3h4i h MET 111 N 0.93 0.43 -0.66 3.45 2.86 -0.68 -1.46 114.93 119.79 3h4i h MET 111 Ca 0.28 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3h4i h MET 111 Cb -0.04 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3h4i h MET 111 CO -0.09 0.82 0.32 0.00 1.06 0.00 0.00 176.91 179.02 3h4i h ALA 112 N 1.14 0.85 -0.43 6.32 0.00 -0.56 -2.41 119.26 124.17 3h4i h ALA 112 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h4i h ALA 112 Cb 0.97 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3h4i h ALA 112 CO 0.08 0.40 0.27 1.49 0.00 0.00 0.00 179.25 181.50 3h4i h GLU 113 N 0.91 0.53 -0.71 0.00 4.81 -0.20 0.68 114.58 120.59 3h4i h GLU 113 Ca 0.23 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3h4i h GLU 113 Cb 0.11 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3h4i h GLU 113 CO -0.03 0.35 0.41 -0.22 -0.73 0.00 0.00 179.01 178.79 3h4i h LYS 114 N 0.54 0.75 0.00 1.92 1.63 -1.16 -2.13 116.57 118.12 3h4i h LYS 114 Ca 0.17 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3h4i h LYS 114 Cb -0.02 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3h4i h LYS 114 CO -0.06 0.50 0.00 1.28 -3.45 0.00 0.00 179.45 177.71 3h4i n LEU 115 N -4.73 0.52 -1.91 5.20 4.77 -0.92 -4.94 117.00 114.99 3h4i n LEU 115 Ca 0.09 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.49 3h4i n LEU 115 Cb 0.15 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3h4i n LEU 115 CO 0.30 -0.14 0.02 0.61 -1.33 0.00 0.00 177.39 176.86 3h4i n GLY 116 N 1.30 0.00 3.57 -0.72 0.00 0.16 -5.05 105.19 104.45 3h4i n GLY 116 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3h4i n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h4i s ILE 117 N -2.95 3.35 0.36 -0.61 -4.36 -0.74 -5.04 121.20 111.22 3h4i s ILE 117 Ca 0.20 -1.18 -0.28 0.00 -0.26 0.00 0.00 60.65 59.13 3h4i s ILE 117 Cb -0.09 -2.53 -0.11 0.00 1.25 0.00 0.00 42.46 40.98 3h4i s ILE 117 CO 0.25 0.18 1.48 -2.16 0.24 0.00 0.00 174.94 174.93 3h4i s PRO 118 N -1.99 4.14 -0.05 0.37 0.04 -1.26 -4.53 135.00 131.71 3h4i s PRO 118 Ca 0.20 2.53 0.06 0.00 0.04 0.00 0.00 61.00 63.83 3h4i s PRO 118 Cb -0.11 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 3h4i s PRO 118 CO 0.12 -0.50 -0.24 -0.47 0.04 0.00 0.00 177.00 175.94 3h4i s TYR 119 N -1.03 2.33 -0.06 0.56 5.04 -1.26 -0.90 117.35 122.03 3h4i s TYR 119 Ca 0.53 -0.67 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 3h4i s TYR 119 Cb -0.46 -1.53 0.02 0.00 0.35 0.00 0.00 41.96 40.34 3h4i s TYR 119 CO 0.61 -0.20 -0.10 1.03 -1.34 0.00 0.00 175.55 175.55 3h4i s ARG 120 N -0.18 1.48 -0.01 4.97 1.81 -0.11 -4.98 118.95 121.94 3h4i s ARG 120 Ca -0.03 -0.33 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 3h4i s ARG 120 Cb -0.13 -1.29 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 3h4i s ARG 120 CO 0.03 -0.03 0.15 -0.47 -0.68 0.00 0.00 175.30 174.30 3h4i s TYR 121 N 0.83 3.46 -0.05 -0.53 5.04 -1.26 -0.80 117.35 124.03 3h4i s TYR 121 Ca -0.12 0.31 0.04 0.00 -2.44 0.00 0.00 57.07 54.86 3h4i s TYR 121 Cb -0.15 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 3h4i s TYR 121 CO 0.02 0.62 -0.18 0.99 -1.34 0.00 0.00 175.55 175.66 3h4i s THR 122 N -1.28 1.49 0.23 4.34 2.01 0.05 -1.15 115.64 121.32 3h4i s THR 122 Ca 0.26 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.60 3h4i s THR 122 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3h4i s THR 122 CO 0.17 0.43 0.06 0.68 -0.69 0.00 0.00 174.62 175.27 3h4i s VAL 123 N 0.09 3.86 -0.39 3.82 -7.23 0.07 -4.55 120.40 116.07 3h4i s VAL 123 Ca -0.06 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 58.64 3h4i s VAL 123 Cb -0.12 -3.03 -0.12 0.00 0.56 0.00 0.00 36.38 33.66 3h4i s VAL 123 CO 0.03 -0.27 0.40 0.18 -0.31 0.00 0.00 175.10 175.12 3h4i n LEU 124 N -0.71 0.39 -3.85 1.32 4.77 -1.26 -1.24 117.00 116.41 3h4i n LEU 124 Ca -0.08 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.38 3h4i n LEU 124 Cb 0.57 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 3h4i n LEU 124 CO 0.41 0.10 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.66 3h4i s SER 125 N -2.24 0.03 0.46 -1.43 0.15 -1.26 -4.56 113.70 104.85 3h4i s SER 125 Ca 0.02 0.01 0.13 0.00 0.70 0.00 0.00 55.95 56.81 3h4i s SER 125 Cb 0.08 -0.02 1.06 0.00 -1.71 0.00 0.00 66.02 65.42 3h4i s SER 125 CO 0.43 -0.03 2.05 1.55 1.20 0.00 0.00 173.24 178.44 3h4i h PRO 126 N 6.43 0.10 0.00 5.44 0.13 -1.93 -2.01 132.00 140.17 3h4i h PRO 126 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3h4i h PRO 126 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h4i h PRO 126 CO 0.50 0.16 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 3h4i n ASP 127 N -4.42 0.27 -0.54 1.44 8.00 -1.26 -1.68 116.55 118.37 3h4i n ASP 127 Ca -0.02 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.20 3h4i n ASP 127 Cb 0.16 -0.64 0.21 0.00 -0.02 0.00 0.00 41.12 40.83 3h4i n ASP 127 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3h4i n HIS 128 N -1.83 0.00 -2.00 1.24 8.25 -0.75 -4.80 115.22 115.32 3h4i n HIS 128 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3h4i n HIS 128 Cb 0.10 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 3h4i n HIS 128 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h4i s LEU 129 N -2.28 4.38 0.34 2.41 1.43 -0.67 -4.91 118.68 119.37 3h4i s LEU 129 Ca 0.26 2.68 0.11 0.00 -1.03 0.00 0.00 54.13 56.15 3h4i s LEU 129 Cb 0.19 -3.62 0.90 0.00 0.03 0.00 0.00 46.19 43.69 3h4i s LEU 129 CO 0.45 -0.71 1.76 -0.65 0.23 0.00 0.00 176.35 177.43 3h4i h PRO 130 N 5.06 0.57 0.00 1.29 0.11 -1.91 -0.48 132.00 136.63 3h4i h PRO 130 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h4i h PRO 130 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h4i h PRO 130 CO 0.78 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 3h4i n SER 131 N -4.76 0.16 -0.90 -2.05 3.41 -1.26 -1.50 113.62 106.72 3h4i n SER 131 Ca 0.25 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3h4i n SER 131 Cb 0.71 -0.57 0.27 0.00 -0.26 0.00 0.00 64.21 64.36 3h4i n SER 131 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h4i n GLU 132 N -1.68 2.19 -3.98 4.33 -0.58 -0.19 -4.90 120.64 115.84 3h4i n GLU 132 Ca 0.03 -1.79 -0.21 0.00 -0.42 0.00 0.00 57.16 54.77 3h4i n GLU 132 Cb 0.20 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 3h4i n GLU 132 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3h4i s GLN 133 N -1.68 3.42 0.71 3.49 -1.52 -0.57 -4.98 119.66 118.53 3h4i s GLN 133 Ca 0.35 -0.77 -0.11 0.00 -1.95 0.00 0.00 55.36 52.88 3h4i s GLN 133 Cb 0.21 -2.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.14 3h4i s GLN 133 CO 0.30 0.43 1.08 -1.54 -0.25 0.00 0.00 175.29 175.30 3h4i s SER 134 N -3.97 5.31 0.23 5.90 1.04 -1.26 -4.90 113.70 116.05 3h4i s SER 134 Ca 0.34 1.32 -0.07 0.00 0.48 0.00 0.00 55.95 58.01 3h4i s SER 134 Cb -0.09 -2.16 0.25 0.00 0.10 0.00 0.00 66.02 64.12 3h4i s SER 134 CO 0.29 -1.45 1.88 -0.61 0.98 0.00 0.00 173.24 174.33 3h4i h GLN 135 N -0.73 1.05 -0.97 4.02 5.75 -1.99 -1.20 115.11 121.04 3h4i h GLN 135 Ca -0.45 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 3h4i h GLN 135 Cb 1.24 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.50 3h4i h GLN 135 CO 0.61 0.69 0.63 0.00 -2.65 0.00 0.00 178.83 178.12 3h4i h ALA 136 N 1.35 1.24 -0.22 3.38 0.00 -1.99 0.02 119.26 123.03 3h4i h ALA 136 Ca 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3h4i h ALA 136 Cb -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3h4i h ALA 136 CO -0.11 0.64 0.02 0.93 0.00 0.00 0.00 179.25 180.74 3h4i h GLU 137 N 1.33 0.38 -0.82 0.00 5.08 -1.81 -1.36 114.58 117.38 3h4i h GLU 137 Ca 0.36 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3h4i h GLU 137 Cb -0.13 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3h4i h GLU 137 CO -0.07 0.54 0.52 0.00 -1.00 0.00 0.00 179.01 179.00 3h4i h ARG 138 N 0.16 1.09 -0.51 2.33 3.08 -0.92 -0.07 114.38 119.55 3h4i h ARG 138 Ca 0.07 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3h4i h ARG 138 Cb 0.36 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3h4i h ARG 138 CO 0.01 0.74 0.26 -0.44 -1.07 0.00 0.00 179.97 179.47 3h4i h ASP 139 N 1.11 0.38 -0.56 7.04 3.32 -0.89 -1.15 116.42 125.68 3h4i h ASP 139 Ca 0.30 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3h4i h ASP 139 Cb -0.09 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3h4i h ASP 139 CO -0.06 0.26 0.22 -0.03 -1.72 0.00 0.00 179.24 177.91 3h4i h MET 140 N 0.51 0.84 -0.52 3.56 4.05 -0.54 -1.16 114.93 121.67 3h4i h MET 140 Ca 0.22 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 3h4i h MET 140 Cb 0.12 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 3h4i h MET 140 CO -0.15 0.73 0.11 1.88 0.23 0.00 0.00 176.91 179.71 3h4i h TYR 141 N 0.76 0.88 -0.35 1.39 0.05 -0.75 -1.22 116.97 117.74 3h4i h TYR 141 Ca 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3h4i h TYR 141 Cb 0.21 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3h4i h TYR 141 CO 0.01 0.79 0.19 -0.91 -1.05 0.00 0.00 178.16 177.19 3h4i h ASN 142 N 0.72 0.43 -0.59 3.88 2.35 -1.05 -1.59 115.58 119.74 3h4i h ASN 142 Ca 0.16 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3h4i h ASN 142 Cb 0.36 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3h4i h ASN 142 CO 0.01 0.39 0.19 1.56 -1.65 0.00 0.00 177.43 177.92 3h4i h GLN 143 N 0.44 0.91 -0.40 0.81 4.20 -1.09 -1.22 115.11 118.76 3h4i h GLN 143 Ca 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3h4i h GLN 143 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3h4i h GLN 143 CO -0.02 0.81 0.20 0.78 -0.67 0.00 0.00 178.83 179.93 3h4i h GLY 144 N 0.83 0.62 0.91 3.46 0.00 -1.11 -1.14 103.07 106.63 3h4i h GLY 144 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3h4i h GLY 144 CO -0.01 0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.92 3h4i h ALA 145 N 1.05 0.41 -0.62 3.60 0.00 -1.15 -0.18 119.26 122.37 3h4i h ALA 145 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h4i h ALA 145 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h4i h ALA 145 CO -0.02 0.05 0.35 -0.44 0.00 0.00 0.00 179.25 179.19 3h4i h ASP 146 N 0.35 0.76 -0.48 0.00 3.32 -1.14 -0.93 116.42 118.31 3h4i h ASP 146 Ca 0.10 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3h4i h ASP 146 Cb 0.26 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3h4i h ASP 146 CO -0.00 0.63 -0.14 0.03 -1.72 0.00 0.00 179.24 178.03 3h4i h ARG 147 N 0.84 0.95 0.02 3.56 3.08 -1.09 -0.67 114.38 121.05 3h4i h ARG 147 Ca 0.22 -0.37 -0.24 0.00 0.07 0.00 0.00 59.98 59.65 3h4i h ARG 147 Cb 0.03 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.05 3h4i h ARG 147 CO -0.04 1.04 -0.96 1.25 -1.07 0.00 0.00 179.97 180.19 3h4i h LEU 148 N 0.80 0.81 -1.07 3.04 5.85 -0.77 -3.41 115.31 120.55 3h4i h LEU 148 Ca 0.12 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3h4i h LEU 148 Cb 0.70 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3h4i h LEU 148 CO 0.05 1.47 -0.07 2.22 -0.34 0.00 0.00 178.44 181.77 3h4i n PHE 149 N -3.94 0.00 -0.30 1.25 -1.74 -0.37 -4.88 117.46 107.48 3h4i n PHE 149 Ca -0.11 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.73 3h4i n PHE 149 Cb 0.84 0.00 0.07 0.00 1.52 0.00 0.00 39.48 41.92 3h4i n PHE 149 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3h4i h GLY 150 N 0.00 1.22 0.96 4.97 0.00 -0.94 -1.33 103.07 107.95 3h4i h GLY 150 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3h4i h GLY 150 CO 0.00 0.55 0.10 -0.55 0.00 0.00 0.00 176.54 176.65 3h4i h ASP 151 N 1.13 0.69 -0.26 0.19 3.32 -1.89 -0.28 116.42 119.32 3h4i h ASP 151 Ca 0.28 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3h4i h ASP 151 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h4i h ASP 151 CO -0.04 0.75 0.14 0.00 -1.72 0.00 0.00 179.24 178.37 3h4i h ALA 152 N 0.97 0.34 -0.37 3.45 0.00 -1.87 -0.11 119.26 121.66 3h4i h ALA 152 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h4i h ALA 152 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h4i h ALA 152 CO 0.00 -0.12 0.20 0.28 0.00 0.00 0.00 179.25 179.61 3h4i h VAL 153 N 0.30 1.01 -0.21 0.00 2.07 -1.13 -2.33 116.25 115.97 3h4i h VAL 153 Ca 0.09 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3h4i h VAL 153 Cb 0.08 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3h4i h VAL 153 CO -0.01 0.08 -0.13 0.78 0.02 0.00 0.00 177.57 178.30 3h4i h ASN 154 N 0.42 0.33 -0.47 0.57 2.35 -0.79 0.15 115.58 118.14 3h4i h ASN 154 Ca 0.15 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3h4i h ASN 154 Cb 0.03 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3h4i h ASN 154 CO -0.09 0.50 0.13 0.77 -1.65 0.00 0.00 177.43 177.09 3h4i h SER 155 N 0.33 0.70 0.20 5.81 4.64 -0.69 -1.14 113.55 123.40 3h4i h SER 155 Ca 0.06 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 3h4i h SER 155 Cb 0.44 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3h4i h SER 155 CO 0.03 0.74 -0.56 0.45 -0.87 0.00 0.00 176.83 176.62 3h4i h HIS 156 N 0.63 0.47 -0.54 4.77 3.86 -1.05 -2.13 115.15 121.15 3h4i h HIS 156 Ca 0.15 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3h4i h HIS 156 Cb 0.30 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3h4i h HIS 156 CO 0.02 0.85 0.31 0.00 0.86 0.00 0.00 177.93 179.97 3h4i h ARG 157 N 0.29 0.74 -0.87 2.45 3.08 -0.81 -2.52 114.38 116.74 3h4i h ARG 157 Ca 0.00 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3h4i h ARG 157 Cb 1.07 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 3h4i h ARG 157 CO 0.09 0.55 0.57 0.00 -1.07 0.00 0.00 179.97 180.12 3h4i h ALA 158 N 1.15 1.12 -0.29 0.04 0.00 -1.06 -0.83 119.26 119.38 3h4i h ALA 158 Ca 0.19 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3h4i h ALA 158 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3h4i h ALA 158 CO -0.03 0.48 0.29 0.66 0.00 0.00 0.00 179.25 180.65 3h4i h SER 159 N 1.16 0.00 -0.32 0.00 4.64 -0.94 0.70 113.55 118.79 3h4i h SER 159 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3h4i h SER 159 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3h4i h SER 159 CO -0.08 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.18 3h4i n ILE 160 N -3.88 1.68 -0.58 0.95 -5.35 -0.83 -4.99 119.36 106.37 3h4i n ILE 160 Ca 0.04 -1.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 3h4i n ILE 160 Cb 0.44 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3h4i n ILE 160 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h4i n GLY 161 N 0.04 0.77 3.84 3.28 0.00 0.24 -5.05 105.19 108.31 3h4i n GLY 161 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3h4i n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h4i s LEU 162 N 0.00 3.62 0.81 0.99 1.43 -0.38 -4.96 118.68 120.20 3h4i s LEU 162 Ca 0.00 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 3h4i s LEU 162 Cb 0.00 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.81 3h4i s LEU 162 CO 0.00 -0.59 1.09 -2.16 0.23 0.00 0.00 176.35 174.93 3h4i s PRO 163 N -4.08 1.94 0.84 1.29 0.04 -1.26 -3.84 135.00 129.92 3h4i s PRO 163 Ca 0.59 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 3h4i s PRO 163 Cb -0.10 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.65 3h4i s PRO 163 CO 0.32 -1.75 1.13 -2.14 0.04 0.00 0.00 177.00 174.60 3h4i s PRO 164 N -5.07 1.63 0.05 0.56 0.02 -1.26 -4.83 135.00 126.11 3h4i s PRO 164 Ca 0.61 1.44 0.03 0.00 0.02 0.00 0.00 61.00 63.10 3h4i s PRO 164 Cb -0.16 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3h4i s PRO 164 CO 0.55 -2.16 -0.09 0.54 -0.33 0.00 0.00 177.00 175.51 3h4i s VAL 165 N -2.65 0.67 0.36 3.83 0.11 -1.26 -5.14 120.40 116.32 3h4i s VAL 165 Ca 0.66 -1.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3h4i s VAL 165 Cb -0.21 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3h4i s VAL 165 CO 0.55 -0.36 0.11 -1.84 -3.33 0.00 0.00 175.10 170.23 3h4i n GLU 166 N 1.37 0.66 -3.32 1.54 0.28 -1.26 -4.90 120.64 115.02 3h4i n GLU 166 Ca -0.22 -2.99 -0.16 0.00 -0.16 0.00 0.00 57.16 53.63 3h4i n GLU 166 Cb 0.55 1.55 0.05 0.00 1.43 0.00 0.00 31.44 35.01 3h4i n GLU 166 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3h4i n HIS 167 N -0.82 -2.44 0.26 -1.84 8.25 -1.26 -4.74 115.22 112.63 3h4i n HIS 167 Ca -0.06 0.83 0.15 0.00 -0.26 0.00 0.00 57.72 58.38 3h4i n HIS 167 Cb 0.53 -3.95 0.59 0.00 1.12 0.00 0.00 29.99 28.29 3h4i n HIS 167 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3h4i h LEU 168 N -0.93 0.00 -0.02 2.41 3.38 -1.92 -0.61 115.31 117.63 3h4i h LEU 168 Ca -0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3h4i h LEU 168 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3h4i h LEU 168 CO 0.42 0.04 -0.01 0.22 0.09 0.00 0.00 178.44 179.20 3h4i h TYR 169 N 0.00 0.04 -0.69 1.13 3.20 -1.83 0.25 116.97 119.07 3h4i h TYR 169 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3h4i h TYR 169 Cb 0.60 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 3h4i h TYR 169 CO 0.00 0.49 0.33 -0.44 -1.64 0.00 0.00 178.16 176.90 3h4i h ASP 170 N -0.42 0.42 0.09 -2.11 3.32 -1.78 -1.24 116.42 114.70 3h4i h ASP 170 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h4i h ASP 170 Cb 0.48 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3h4i h ASP 170 CO 0.00 0.24 -0.04 0.22 -1.72 0.00 0.00 179.24 177.94 3h4i h TYR 171 N 0.56 -0.11 -0.46 4.55 3.20 -1.04 -0.18 116.97 123.50 3h4i h TYR 171 Ca 0.34 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 3h4i h TYR 171 Cb 0.38 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3h4i h TYR 171 CO -0.12 0.21 -0.18 0.78 -1.64 0.00 0.00 178.16 177.21 3h4i h GLY 172 N -0.43 1.02 1.82 1.82 0.00 -0.86 -3.13 103.07 103.31 3h4i h GLY 172 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3h4i h GLY 172 CO 0.02 0.81 -0.17 -0.97 0.00 0.00 0.00 176.54 176.23 3h4i h TYR 173 N 0.78 0.00 -2.06 5.60 0.05 -1.29 -3.44 116.97 116.61 3h4i h TYR 173 Ca 0.11 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.12 3h4i h TYR 173 Cb 0.75 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.41 3h4i h TYR 173 CO 0.05 0.00 -0.53 0.25 -1.05 0.00 0.00 178.16 176.89 3h4i n THR 174 N -2.92 0.00 0.55 -2.88 -2.24 -0.08 -3.60 114.28 103.11 3h4i n THR 174 Ca 0.04 0.26 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 3h4i n THR 174 Cb 0.52 -0.56 0.45 0.00 -2.10 0.00 0.00 70.33 68.64 3h4i n THR 174 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h4i n ASP 175 N -3.53 0.71 -2.88 3.42 5.68 -1.26 -4.34 116.55 114.35 3h4i n ASP 175 Ca -0.02 0.61 -0.12 0.00 -0.50 0.00 0.00 54.79 54.76 3h4i n ASP 175 Cb 0.41 -0.78 0.01 0.00 -1.14 0.00 0.00 41.12 39.62 3h4i n ASP 175 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3h4i n GLN 176 N -2.21 0.71 -1.47 0.11 -0.06 -1.26 -4.96 117.38 108.24 3h4i n GLN 176 Ca 0.04 -2.17 -0.33 0.00 -2.00 0.00 0.00 57.00 52.54 3h4i n GLN 176 Cb 0.34 -1.42 0.08 0.00 -4.06 0.00 0.00 30.24 25.18 3h4i n GLN 176 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3h4i s PRO 177 N 0.27 2.29 0.60 3.69 0.04 -1.24 -4.83 135.00 135.81 3h4i s PRO 177 Ca 0.32 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 3h4i s PRO 177 Cb 0.18 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 3h4i s PRO 177 CO -0.19 -1.68 1.11 -1.58 0.04 0.00 0.00 177.00 174.71 3h4i s TRP 178 N -2.27 2.68 -0.40 0.56 0.51 -0.30 -4.38 118.94 115.35 3h4i s TRP 178 Ca 0.70 1.55 -0.04 0.00 -2.12 0.00 0.00 56.10 56.19 3h4i s TRP 178 Cb -0.24 -3.21 0.10 0.00 -0.81 0.00 0.00 33.47 29.31 3h4i s TRP 178 CO 0.46 -1.57 0.19 -1.17 -0.51 0.00 0.00 176.95 174.35 3h4i s LEU 179 N -4.30 5.11 -1.27 2.99 2.96 -0.10 -0.75 118.68 123.32 3h4i s LEU 179 Ca 0.69 -1.90 -0.10 0.00 -0.22 0.00 0.00 54.13 52.61 3h4i s LEU 179 Cb -0.22 -1.84 0.17 0.00 0.50 0.00 0.00 46.19 44.81 3h4i s LEU 179 CO 0.34 -0.52 1.84 0.00 -1.32 0.00 0.00 176.35 176.69 3h4i n ALA 180 N 4.64 5.26 -3.01 5.97 0.00 -0.38 -1.67 120.51 131.33 3h4i n ALA 180 Ca -0.04 -4.32 -0.11 0.00 0.00 0.00 0.00 53.44 48.97 3h4i n ALA 180 Cb 0.42 -2.97 -0.11 0.00 0.00 0.00 0.00 19.45 16.78 3h4i n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h4i s ALA 181 N 0.40 -0.12 0.18 0.00 0.00 -1.18 -4.33 121.76 116.70 3h4i s ALA 181 Ca 0.40 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3h4i s ALA 181 Cb 0.09 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 3h4i s ALA 181 CO 0.01 -0.13 1.37 0.34 0.00 0.00 0.00 175.76 177.34 3h4i s ASP 182 N -0.88 6.82 0.52 0.00 2.15 -1.26 -3.13 116.67 120.88 3h4i s ASP 182 Ca -0.10 2.44 0.31 0.00 0.43 0.00 0.00 52.55 55.63 3h4i s ASP 182 Cb -0.06 -2.60 1.17 0.00 -0.30 0.00 0.00 42.92 41.12 3h4i s ASP 182 CO 0.00 -0.61 1.91 1.55 -0.17 0.00 0.00 175.17 177.86 3h4i h PRO 183 N 5.77 0.00 0.03 4.34 0.13 -1.96 0.24 132.00 140.55 3h4i h PRO 183 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 3h4i h PRO 183 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3h4i h PRO 183 CO 0.81 0.04 -0.34 0.28 -0.23 0.00 0.00 178.00 178.56 3h4i h VAL 184 N 0.00 1.59 -0.43 1.56 2.07 -1.92 -2.83 116.25 116.28 3h4i h VAL 184 Ca -0.00 -2.17 -0.13 0.00 0.82 0.00 0.00 66.70 65.23 3h4i h VAL 184 Cb 0.61 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 3h4i h VAL 184 CO 0.01 0.59 -0.24 0.25 0.02 0.00 0.00 177.57 178.20 3h4i h LEU 185 N -0.56 0.92 -6.43 2.57 5.85 -1.95 -3.38 115.31 112.32 3h4i h LEU 185 Ca -0.05 -0.35 -0.59 0.00 0.84 0.00 0.00 57.88 57.73 3h4i h LEU 185 Cb 1.16 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 41.54 3h4i h LEU 185 CO 0.06 1.11 -0.84 -1.20 -0.34 0.00 0.00 178.44 177.23 3h4i n SER 186 N -4.10 1.25 -4.77 1.25 7.64 0.83 -4.92 113.62 110.80 3h4i n SER 186 Ca -0.00 -2.83 -0.40 0.00 1.01 0.00 0.00 58.87 56.64 3h4i n SER 186 Cb 0.46 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3h4i n SER 186 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3h4i s PRO 187 N -1.03 4.40 0.00 1.43 0.04 -1.07 -4.38 135.00 134.40 3h4i s PRO 187 Ca 0.33 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 63.29 3h4i s PRO 187 Cb 0.07 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 3h4i s PRO 187 CO -0.14 -0.09 0.42 -1.17 0.04 0.00 0.00 177.00 176.06 3h4i s LEU 188 N -1.76 4.47 0.46 -3.56 2.96 -1.26 -5.03 118.68 114.96 3h4i s LEU 188 Ca 0.48 0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 55.14 3h4i s LEU 188 Cb -0.37 -2.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.62 3h4i s LEU 188 CO 0.49 0.31 1.12 -2.11 -1.32 0.00 0.00 176.35 174.83 3h4i n ARG 189 N 1.89 1.50 0.26 1.98 1.85 -1.26 -4.88 116.66 118.00 3h4i n ARG 189 Ca -0.13 0.54 0.17 0.00 -1.00 0.00 0.00 57.85 57.43 3h4i n ARG 189 Cb 0.52 -2.22 0.73 0.00 -1.05 0.00 0.00 32.46 30.44 3h4i n ARG 189 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3h4i h PRO 190 N 1.54 0.00 -0.00 2.89 0.13 -2.06 -2.67 132.00 131.82 3h4i h PRO 190 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h4i h PRO 190 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3h4i h PRO 190 CO 0.57 0.00 -0.12 0.25 -0.23 0.00 0.00 178.00 178.46 3h4i n THR 191 N -2.92 0.00 -2.82 1.56 -2.24 -1.26 -4.69 114.28 101.92 3h4i n THR 191 Ca 0.00 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3h4i n THR 191 Cb 0.25 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 3h4i n THR 191 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h4i s ASP 192 N -2.77 6.22 0.00 3.42 -1.08 -1.01 -4.81 116.67 116.63 3h4i s ASP 192 Ca 0.20 -0.75 0.22 0.00 -0.52 0.00 0.00 52.55 51.70 3h4i s ASP 192 Cb 0.19 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 3h4i s ASP 192 CO 0.53 -1.43 1.06 0.18 0.52 0.00 0.00 175.17 176.03 3h4i n LEU 193 N 7.84 0.93 0.05 -1.34 4.77 -1.26 -4.53 117.00 123.46 3h4i n LEU 193 Ca -0.02 -0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 3h4i n LEU 193 Cb 0.46 -0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3h4i n LEU 193 CO 0.65 0.22 -0.62 1.23 -1.33 0.00 0.00 177.39 177.54 3h4i h GLY 194 N 4.99 0.39 -4.75 -0.72 0.00 -2.00 -3.46 103.07 97.52 3h4i h GLY 194 Ca 0.00 -1.01 -0.54 0.00 0.00 0.00 0.00 47.33 45.78 3h4i h GLY 194 CO 0.00 0.88 0.80 -1.59 0.00 0.00 0.00 176.54 176.63 3h4i s THR 195 N -2.56 3.55 -0.44 4.70 2.01 -1.26 -4.98 115.64 116.65 3h4i s THR 195 Ca -0.18 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 3h4i s THR 195 Cb 0.06 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.94 3h4i s THR 195 CO 0.82 0.03 0.62 -0.69 -0.69 0.00 0.00 174.62 174.71 3h4i s VAL 196 N 1.96 4.85 -0.43 3.82 1.01 -1.26 -4.97 120.40 125.38 3h4i s VAL 196 Ca 0.65 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 3h4i s VAL 196 Cb -0.34 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.88 3h4i s VAL 196 CO 0.28 -0.58 0.41 -1.58 0.00 0.00 0.00 175.10 173.62 3h4i s GLN 197 N 2.75 3.05 0.32 2.72 0.74 -1.26 -0.92 119.66 127.05 3h4i s GLN 197 Ca 0.21 -0.90 0.23 0.00 0.05 0.00 0.00 55.36 54.96 3h4i s GLN 197 Cb -0.14 -4.00 0.18 0.00 1.10 0.00 0.00 33.01 30.15 3h4i s GLN 197 CO 0.18 -0.86 1.33 1.79 -0.55 0.00 0.00 175.29 177.18 3h4i h THR 198 N 5.71 0.00 0.00 -0.34 1.35 -1.57 -3.49 112.91 114.57 3h4i h THR 198 Ca -0.27 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3h4i h THR 198 Cb 1.11 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3h4i h THR 198 CO 0.80 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 3h4i n GLY 199 N 1.15 1.00 3.75 5.82 0.00 -1.18 -4.12 105.19 111.60 3h4i n GLY 199 Ca 0.02 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 3h4i n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4i s ALA 200 N -2.57 2.46 -0.43 4.61 0.00 -1.24 -3.12 121.76 121.46 3h4i s ALA 200 Ca 0.00 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3h4i s ALA 200 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3h4i s ALA 200 CO 0.00 -1.35 0.39 -1.58 0.00 0.00 0.00 175.76 173.22 3h4i s TRP 201 N -1.59 3.20 -0.10 0.00 0.51 -1.26 -3.60 118.94 116.10 3h4i s TRP 201 Ca 0.78 -0.57 0.02 0.00 -2.12 0.00 0.00 56.10 54.22 3h4i s TRP 201 Cb -0.32 -2.86 0.01 0.00 -0.81 0.00 0.00 33.47 29.49 3h4i s TRP 201 CO 0.36 -0.70 -0.17 0.42 -0.51 0.00 0.00 176.95 176.35 3h4i s ILE 202 N 1.90 1.60 -0.26 2.03 1.01 -1.26 -4.33 121.20 121.90 3h4i s ILE 202 Ca 0.08 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 3h4i s ILE 202 Cb -0.19 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3h4i s ILE 202 CO 0.11 0.46 0.53 -0.22 0.00 0.00 0.00 174.94 175.82 3h4i s LEU 203 N 0.77 4.05 -0.17 2.97 0.20 -1.26 -4.91 118.68 120.33 3h4i s LEU 203 Ca -0.11 0.55 -0.29 0.00 0.69 0.00 0.00 54.13 54.98 3h4i s LEU 203 Cb -0.16 -2.69 -0.05 0.00 -0.43 0.00 0.00 46.19 42.86 3h4i s LEU 203 CO 0.02 -0.30 1.94 -2.84 -0.29 0.00 0.00 176.35 174.87 3h4i s PRO 204 N 2.34 3.57 -0.39 0.98 0.02 -1.26 -4.88 135.00 135.39 3h4i s PRO 204 Ca 0.22 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 3h4i s PRO 204 Cb -0.16 -4.21 0.02 0.00 0.02 0.00 0.00 34.50 30.17 3h4i s PRO 204 CO 0.09 -1.58 0.84 0.34 -0.33 0.00 0.00 177.00 176.36 3h4i s ASP 205 N 5.98 6.57 0.00 2.53 -1.08 -1.26 -4.89 116.67 124.51 3h4i s ASP 205 Ca 0.87 0.34 0.24 0.00 -0.52 0.00 0.00 52.55 53.48 3h4i s ASP 205 Cb -0.32 -2.42 0.31 0.00 -1.46 0.00 0.00 42.92 39.04 3h4i s ASP 205 CO 0.35 -0.83 1.33 0.00 0.52 0.00 0.00 175.17 176.54 3h4i n GLN 206 N 6.65 2.38 -2.22 4.34 1.13 -1.26 -4.88 117.38 123.51 3h4i n GLN 206 Ca 0.05 -2.03 -0.42 0.00 -1.94 0.00 0.00 57.00 52.66 3h4i n GLN 206 Cb 0.48 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.32 3h4i n GLN 206 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h4i s ARG 207 N -1.80 4.38 0.68 -1.09 0.52 -1.26 -5.00 118.95 115.38 3h4i s ARG 207 Ca 0.33 2.04 -0.14 0.00 -0.52 0.00 0.00 55.73 57.43 3h4i s ARG 207 Cb 0.21 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.47 3h4i s ARG 207 CO 0.31 -0.29 1.10 -2.14 0.02 0.00 0.00 175.30 174.30 3h4i s PRO 208 N 0.25 2.73 0.54 3.54 0.02 -1.26 -4.76 135.00 136.06 3h4i s PRO 208 Ca 0.59 1.32 -0.18 0.00 0.02 0.00 0.00 61.00 62.74 3h4i s PRO 208 Cb -0.36 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.16 3h4i s PRO 208 CO 0.36 -1.30 1.07 -0.51 -0.33 0.00 0.00 177.00 176.29 3h4i s LEU 209 N -5.07 3.69 0.83 -5.54 1.43 -1.26 -4.77 118.68 107.99 3h4i s LEU 209 Ca 0.65 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3h4i s LEU 209 Cb -0.19 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.57 3h4i s LEU 209 CO 0.44 -1.07 1.18 -0.94 0.23 0.00 0.00 176.35 176.19 3h4i s SER 210 N -2.20 3.48 0.34 2.29 1.04 -1.26 -4.76 113.70 112.64 3h4i s SER 210 Ca 0.68 2.27 0.04 0.00 0.48 0.00 0.00 55.95 59.41 3h4i s SER 210 Cb -0.18 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.01 3h4i s SER 210 CO 0.28 -2.73 1.94 0.00 0.98 0.00 0.00 173.24 173.71 3h4i h ALA 211 N -1.18 1.62 -0.41 5.32 0.00 -1.98 0.28 119.26 122.90 3h4i h ALA 211 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3h4i h ALA 211 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3h4i h ALA 211 CO 0.45 0.26 -0.01 0.93 0.00 0.00 0.00 179.25 180.88 3h4i h GLU 212 N 0.87 0.73 -0.22 0.00 3.07 -1.99 0.40 114.58 117.44 3h4i h GLU 212 Ca 0.34 -0.24 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 3h4i h GLU 212 Cb 0.21 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3h4i h GLU 212 CO -0.12 0.82 -0.45 1.25 -1.40 0.00 0.00 179.01 179.11 3h4i h LEU 213 N 0.56 0.78 -0.27 1.33 5.85 -1.83 -1.00 115.31 120.73 3h4i h LEU 213 Ca 0.11 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.32 3h4i h LEU 213 Cb 0.50 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3h4i h LEU 213 CO 0.02 1.19 0.08 -0.33 -0.34 0.00 0.00 178.44 179.05 3h4i h GLU 214 N 0.41 0.18 -0.41 1.25 4.39 -0.89 -0.83 114.58 118.68 3h4i h GLU 214 Ca 0.01 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.75 3h4i h GLU 214 Cb 1.06 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 3h4i h GLU 214 CO 0.10 0.12 0.14 0.78 -1.16 0.00 0.00 179.01 178.99 3h4i h GLY 215 N 0.19 0.53 0.86 -3.84 0.00 -0.86 -1.52 103.07 98.43 3h4i h GLY 215 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3h4i h GLY 215 CO -0.14 0.02 0.26 -2.75 0.00 0.00 0.00 176.54 173.93 3h4i h PHE 216 N 0.30 0.49 -0.67 5.60 3.57 -0.83 -1.78 116.94 123.62 3h4i h PHE 216 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3h4i h PHE 216 Cb 0.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3h4i h PHE 216 CO -0.15 0.28 0.23 -0.07 -2.23 0.00 0.00 178.31 176.36 3h4i h LEU 217 N 0.53 0.94 -0.91 0.59 3.38 -0.88 -2.80 115.31 116.15 3h4i h LEU 217 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3h4i h LEU 217 Cb 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3h4i h LEU 217 CO -0.10 0.87 -0.09 0.03 0.09 0.00 0.00 178.44 179.25 3h4i h ARG 218 N 0.99 0.00 -0.01 1.13 3.08 -0.90 -3.31 114.38 115.35 3h4i h ARG 218 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3h4i h ARG 218 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3h4i h ARG 218 CO -0.01 0.09 -0.07 0.00 -1.07 0.00 0.00 179.97 178.90 3h4i n ALA 219 N -2.13 2.72 -3.00 0.04 0.00 -0.70 -4.97 120.51 112.46 3h4i n ALA 219 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h4i n ALA 219 Cb 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3h4i n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4i n GLY 220 N 1.21 1.38 3.77 0.00 0.00 -1.25 -5.09 105.19 105.22 3h4i n GLY 220 Ca 0.17 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3h4i n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h4i s SER 221 N 0.15 5.20 0.06 1.61 1.04 -1.26 -4.92 113.70 115.59 3h4i s SER 221 Ca 0.00 1.98 -0.34 0.00 0.48 0.00 0.00 55.95 58.07 3h4i s SER 221 Cb 0.00 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.44 3h4i s SER 221 CO 0.00 -1.57 1.66 -2.65 0.98 0.00 0.00 173.24 171.67 3h4i n PRO 222 N -2.36 2.07 -2.13 4.02 -0.02 -1.26 -4.75 135.00 130.57 3h4i n PRO 222 Ca 0.10 0.75 -0.27 0.00 -2.02 0.00 0.00 63.50 62.06 3h4i n PRO 222 Cb 0.52 -2.53 0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3h4i n PRO 222 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h4i s PRO 223 N 1.97 1.81 -0.19 0.52 0.04 -1.26 -4.21 135.00 133.68 3h4i s PRO 223 Ca 0.84 -0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 3h4i s PRO 223 Cb -0.71 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 3h4i s PRO 223 CO 0.44 -1.55 0.14 0.08 0.04 0.00 0.00 177.00 176.14 3h4i s VAL 224 N -3.42 5.41 0.12 -0.36 1.01 0.13 -0.45 120.40 122.85 3h4i s VAL 224 Ca 0.64 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 3h4i s VAL 224 Cb -0.09 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 3h4i s VAL 224 CO 0.47 0.46 0.69 -0.47 0.00 0.00 0.00 175.10 176.25 3h4i s TYR 225 N 0.22 3.86 -0.08 5.22 5.04 -0.67 -0.96 117.35 129.98 3h4i s TYR 225 Ca 0.09 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.21 3h4i s TYR 225 Cb -0.11 -2.66 0.02 0.00 0.35 0.00 0.00 41.96 39.56 3h4i s TYR 225 CO -0.01 0.54 -0.10 0.08 -1.34 0.00 0.00 175.55 174.72 3h4i s VAL 226 N -1.08 1.03 0.00 3.14 1.01 0.01 -0.17 120.40 124.34 3h4i s VAL 226 Ca 0.33 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 3h4i s VAL 226 Cb -0.22 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.25 3h4i s VAL 226 CO 0.23 0.35 0.71 -0.83 0.00 0.00 0.00 175.10 175.56 3h4i s GLY 227 N 1.10 -0.55 -0.03 4.51 0.00 -0.60 -0.54 107.32 111.22 3h4i s GLY 227 Ca -0.07 1.13 0.04 0.00 0.00 0.00 0.00 44.72 45.82 3h4i s GLY 227 CO -0.01 0.68 1.00 0.69 0.00 0.00 0.00 173.10 175.46 3h4i n PHE 228 N 0.42 0.00 -2.49 1.90 3.72 -1.26 -3.38 117.46 116.38 3h4i n PHE 228 Ca -0.17 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 3h4i n PHE 228 Cb 0.60 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 3h4i n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h4i n GLY 229 N -0.65 2.24 0.03 1.37 0.00 -1.26 -2.66 105.19 104.26 3h4i n GLY 229 Ca 0.03 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.74 3h4i n GLY 229 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h4i n SER 230 N 3.76 0.37 -4.87 1.61 7.64 -1.26 -1.79 113.62 119.07 3h4i n SER 230 Ca 0.00 0.33 -0.21 0.00 1.01 0.00 0.00 58.87 60.00 3h4i n SER 230 Cb 0.00 -0.35 0.09 0.00 -1.01 0.00 0.00 64.21 62.93 3h4i n SER 230 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h4i s GLY 231 N -3.21 1.73 0.72 0.23 0.00 -1.09 -4.64 107.32 101.05 3h4i s GLY 231 Ca 0.12 -2.05 -0.14 0.00 0.00 0.00 0.00 44.72 42.65 3h4i s GLY 231 CO 0.60 -1.51 1.15 2.56 0.00 0.00 0.00 173.10 175.90 3h4i s PRO 232 N -4.89 2.35 0.16 2.90 0.04 -1.26 -4.04 135.00 130.25 3h4i s PRO 232 Ca 0.65 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.28 3h4i s PRO 232 Cb -0.05 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3h4i s PRO 232 CO 0.42 -1.63 0.05 0.00 0.04 0.00 0.00 177.00 175.88 3h4i s ALA 233 N -2.27 3.35 0.94 8.56 0.00 -1.26 -4.96 121.76 126.13 3h4i s ALA 233 Ca 0.69 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3h4i s ALA 233 Cb -0.24 -1.16 0.16 0.00 0.00 0.00 0.00 23.12 21.89 3h4i s ALA 233 CO 0.45 0.51 1.12 -1.25 0.00 0.00 0.00 175.76 176.59 3h4i s PRO 234 N -2.94 0.80 0.20 0.00 0.04 -1.26 -4.89 135.00 126.94 3h4i s PRO 234 Ca 0.29 1.34 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 3h4i s PRO 234 Cb -0.10 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 3h4i s PRO 234 CO 0.20 -2.71 1.46 0.00 0.04 0.00 0.00 177.00 175.99 3h4i n ALA 235 N -4.27 1.06 -2.50 8.56 0.00 -1.26 -1.74 120.51 120.36 3h4i n ALA 235 Ca 0.10 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 3h4i n ALA 235 Cb 0.53 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 3h4i n ALA 235 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h4i n GLU 236 N 2.54 -2.18 -0.12 0.00 -0.58 -1.26 -4.88 120.64 114.15 3h4i n GLU 236 Ca 0.14 0.96 -0.04 0.00 -0.42 0.00 0.00 57.16 57.80 3h4i n GLU 236 Cb 0.30 -5.66 0.03 0.00 -0.57 0.00 0.00 31.44 25.54 3h4i n GLU 236 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h4i h ALA 237 N 1.00 0.39 -0.25 0.62 0.00 -1.68 -0.58 119.26 118.76 3h4i h ALA 237 Ca -0.49 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3h4i h ALA 237 Cb 1.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3h4i h ALA 237 CO 0.57 -0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.52 3h4i h ALA 238 N 1.35 0.32 -0.17 0.00 0.00 -1.88 -0.30 119.26 118.58 3h4i h ALA 238 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h4i h ALA 238 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h4i h ALA 238 CO -0.32 -0.06 0.08 -0.09 0.00 0.00 0.00 179.25 178.87 3h4i h ARG 239 N 0.24 0.25 -0.42 0.00 2.43 -1.79 0.08 114.38 115.16 3h4i h ARG 239 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3h4i h ARG 239 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3h4i h ARG 239 CO -0.00 0.28 0.19 0.28 -1.51 0.00 0.00 179.97 179.21 3h4i h VAL 240 N 0.15 1.19 -0.15 0.20 2.07 -1.05 -1.00 116.25 117.66 3h4i h VAL 240 Ca 0.06 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3h4i h VAL 240 Cb 0.11 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3h4i h VAL 240 CO -0.01 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 3h4i h ALA 241 N 1.04 0.20 -0.56 1.67 0.00 -0.94 -0.39 119.26 120.28 3h4i h ALA 241 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h4i h ALA 241 Cb 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h4i h ALA 241 CO -0.02 -0.07 0.29 0.82 0.00 0.00 0.00 179.25 180.28 3h4i h ILE 242 N -0.01 1.19 -0.29 0.00 2.04 -0.91 -0.39 117.51 119.15 3h4i h ILE 242 Ca 0.04 -0.52 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3h4i h ILE 242 Cb 0.43 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3h4i h ILE 242 CO 0.01 0.22 -0.32 -0.33 0.00 0.00 0.00 178.15 177.73 3h4i h GLU 243 N 0.76 0.61 -0.33 2.37 5.08 -1.13 -1.14 114.58 120.79 3h4i h GLU 243 Ca 0.20 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 3h4i h GLU 243 Cb 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3h4i h GLU 243 CO -0.03 0.85 -0.44 0.00 -1.00 0.00 0.00 179.01 178.39 3h4i h ALA 244 N 1.14 0.50 -0.33 3.43 0.00 -0.81 -1.33 119.26 121.85 3h4i h ALA 244 Ca 0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3h4i h ALA 244 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3h4i h ALA 244 CO 0.07 0.64 -0.03 0.28 0.00 0.00 0.00 179.25 180.20 3h4i h VAL 245 N 0.67 1.27 -0.78 0.00 2.07 -1.01 -2.70 116.25 115.76 3h4i h VAL 245 Ca 0.04 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.63 3h4i h VAL 245 Cb 1.04 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 3h4i h VAL 245 CO 0.10 0.33 0.43 0.03 0.02 0.00 0.00 177.57 178.49 3h4i h ARG 246 N 0.39 0.69 -0.09 1.57 3.08 -1.20 -1.69 114.38 117.13 3h4i h ARG 246 Ca 0.09 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3h4i h ARG 246 Cb 0.50 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3h4i h ARG 246 CO 0.02 0.46 0.08 0.00 -1.07 0.00 0.00 179.97 179.46 3h4i h ALA 247 N 1.45 1.84 -0.28 0.04 0.00 -0.92 0.20 119.26 121.58 3h4i h ALA 247 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3h4i h ALA 247 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h4i h ALA 247 CO -0.26 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 179.90 3h4i n GLN 248 N -4.13 1.83 -1.72 0.00 1.13 -0.67 -4.92 117.38 108.89 3h4i n GLN 248 Ca -0.01 -1.27 -0.06 0.00 -1.94 0.00 0.00 57.00 53.72 3h4i n GLN 248 Cb 0.19 -1.35 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 3h4i n GLN 248 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h4i n GLY 249 N 1.13 0.43 3.51 1.08 0.00 0.69 -5.03 105.19 106.99 3h4i n GLY 249 Ca 0.14 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 3h4i n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h4i s ARG 250 N -3.55 1.84 0.63 1.61 1.81 -0.97 -5.03 118.95 115.30 3h4i s ARG 250 Ca 0.00 -1.32 -0.09 0.00 -1.72 0.00 0.00 55.73 52.60 3h4i s ARG 250 Cb 0.00 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.44 3h4i s ARG 250 CO 0.00 0.44 0.99 1.03 -0.68 0.00 0.00 175.30 177.08 3h4i s ARG 251 N -2.62 3.02 -0.07 3.54 0.52 -1.26 -3.73 118.95 118.36 3h4i s ARG 251 Ca 0.22 0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 3h4i s ARG 251 Cb -0.09 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3h4i s ARG 251 CO 0.12 -0.79 -0.19 0.08 0.02 0.00 0.00 175.30 174.55 3h4i s VAL 252 N -3.15 1.60 -0.34 3.52 1.01 -0.13 -0.69 120.40 122.22 3h4i s VAL 252 Ca 0.55 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3h4i s VAL 252 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3h4i s VAL 252 CO 0.49 0.46 0.15 -0.69 0.00 0.00 0.00 175.10 175.51 3h4i s VAL 253 N 0.25 4.30 -0.32 2.92 1.01 -0.14 -1.17 120.40 127.25 3h4i s VAL 253 Ca -0.10 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 3h4i s VAL 253 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3h4i s VAL 253 CO 0.05 -0.09 0.20 -0.22 0.00 0.00 0.00 175.10 175.03 3h4i s LEU 254 N 1.53 4.31 -0.18 3.92 2.96 0.16 -0.81 118.68 130.57 3h4i s LEU 254 Ca 0.02 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.18 3h4i s LEU 254 Cb -0.18 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3h4i s LEU 254 CO 0.05 -0.21 0.96 -0.55 -1.32 0.00 0.00 176.35 175.27 3h4i s SER 255 N 1.67 7.07 0.19 3.68 0.15 0.30 -0.55 113.70 126.20 3h4i s SER 255 Ca 0.05 1.33 -0.12 0.00 0.70 0.00 0.00 55.95 57.91 3h4i s SER 255 Cb -0.17 -2.51 0.11 0.00 -1.71 0.00 0.00 66.02 61.73 3h4i s SER 255 CO 0.08 -0.53 1.81 0.77 1.20 0.00 0.00 173.24 176.57 3h4i h SER 256 N 7.36 0.80 -1.67 5.45 4.64 -1.41 -3.42 113.55 125.30 3h4i h SER 256 Ca -0.25 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3h4i h SER 256 Cb 1.10 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3h4i h SER 256 CO 0.90 0.66 -0.05 0.61 -0.87 0.00 0.00 176.83 178.08 3h4i n GLY 257 N -1.08 -1.20 0.27 -0.77 0.00 -1.26 -0.99 105.19 100.16 3h4i n GLY 257 Ca 0.05 -1.07 0.16 0.00 0.00 0.00 0.00 46.02 45.16 3h4i n GLY 257 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h4i h TRP 258 N -0.14 0.00 0.00 1.61 4.06 -1.62 -2.41 115.95 117.46 3h4i h TRP 258 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3h4i h TRP 258 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3h4i h TRP 258 CO 0.00 0.03 0.00 0.00 -3.56 0.00 0.00 178.44 174.91 3h4i h ALA 259 N 1.97 1.00 -3.13 1.49 0.00 -1.70 -3.48 119.26 115.41 3h4i h ALA 259 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3h4i h ALA 259 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.42 3h4i h ALA 259 CO 0.00 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.37 3h4i n GLY 260 N 0.00 0.29 3.76 0.00 0.00 -0.53 -4.97 105.19 103.74 3h4i n GLY 260 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3h4i n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h4i s LEU 261 N -3.72 3.70 0.26 0.99 1.43 -0.17 -5.00 118.68 116.17 3h4i s LEU 261 Ca 0.23 2.33 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 3h4i s LEU 261 Cb -0.10 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.51 3h4i s LEU 261 CO 0.31 -1.47 0.30 -0.83 0.23 0.00 0.00 176.35 174.90 3h4i s GLY 262 N -1.63 1.39 0.75 -3.19 0.00 -1.26 -4.30 107.32 99.07 3h4i s GLY 262 Ca 0.76 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.81 3h4i s GLY 262 CO 0.31 -1.15 1.16 1.09 0.00 0.00 0.00 173.10 174.52 3h4i s ARG 263 N -3.78 2.08 0.00 2.90 1.70 -1.26 -4.84 118.95 115.75 3h4i s ARG 263 Ca 0.34 1.59 0.16 0.00 -0.47 0.00 0.00 55.73 57.34 3h4i s ARG 263 Cb 0.03 -1.84 -0.15 0.00 -0.57 0.00 0.00 34.95 32.42 3h4i s ARG 263 CO 0.16 -1.85 0.70 0.44 -1.08 0.00 0.00 175.30 173.67 3h4i n ILE 264 N -3.02 0.00 -3.56 4.99 -5.35 -1.26 -5.04 119.36 106.12 3h4i n ILE 264 Ca 0.12 -0.15 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 3h4i n ILE 264 Cb 0.51 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 39.45 3h4i n ILE 264 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3h4i n ASP 265 N -1.20 -1.20 -1.43 7.28 3.85 -1.26 -5.04 116.55 117.55 3h4i n ASP 265 Ca 0.04 -1.76 0.05 0.00 -0.71 0.00 0.00 54.79 52.41 3h4i n ASP 265 Cb 0.26 1.98 0.28 0.00 -1.35 0.00 0.00 41.12 42.29 3h4i n ASP 265 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3h4i n GLU 266 N -0.36 3.61 -1.70 0.11 -0.58 -1.26 -4.98 120.64 115.49 3h4i n GLU 266 Ca -0.04 -2.20 -0.44 0.00 -0.42 0.00 0.00 57.16 54.07 3h4i n GLU 266 Cb 0.34 -1.98 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 3h4i n GLU 266 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h4i n GLY 267 N 0.54 1.27 0.25 0.62 0.00 -1.26 -4.87 105.19 101.74 3h4i n GLY 267 Ca 0.19 0.61 0.07 0.00 0.00 0.00 0.00 46.02 46.90 3h4i n GLY 267 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h4i n ASP 268 N 3.39 0.74 -0.60 1.61 5.75 -1.26 -2.98 116.55 123.20 3h4i n ASP 268 Ca 0.15 -1.69 0.09 0.00 -0.01 0.00 0.00 54.79 53.33 3h4i n ASP 268 Cb 0.32 -0.06 0.30 0.00 -1.03 0.00 0.00 41.12 40.65 3h4i n ASP 268 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h4i n ASP 269 N -0.24 1.79 -4.15 -1.12 5.75 -1.26 -4.86 116.55 112.46 3h4i n ASP 269 Ca 0.12 -1.81 -0.25 0.00 -0.01 0.00 0.00 54.79 52.84 3h4i n ASP 269 Cb 0.16 -0.15 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 3h4i n ASP 269 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h4i s LEU 271 N -0.32 1.44 -0.15 0.00 2.96 -0.32 -4.97 118.68 117.33 3h4i s LEU 271 Ca 0.05 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 3h4i s LEU 271 Cb -0.07 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 3h4i s LEU 271 CO -0.00 -0.03 0.36 -0.69 -1.32 0.00 0.00 176.35 174.67 3h4i s VAL 272 N 1.05 5.26 0.14 1.68 1.01 -1.26 -0.66 120.40 127.62 3h4i s VAL 272 Ca -0.07 0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.69 3h4i s VAL 272 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3h4i s VAL 272 CO -0.01 0.36 -0.22 0.68 0.00 0.00 0.00 175.10 175.91 3h4i s VAL 273 N 0.57 1.98 0.00 2.92 -7.23 0.29 -4.95 120.40 113.97 3h4i s VAL 273 Ca 0.20 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3h4i s VAL 273 Cb -0.14 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3h4i s VAL 273 CO 0.06 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3h4i n GLY 274 N 0.71 1.44 3.73 2.32 0.00 -1.26 -1.38 105.19 110.74 3h4i n GLY 274 Ca -0.16 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3h4i n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h4i s GLU 275 N 2.72 4.13 0.12 1.61 2.56 -1.26 -4.81 118.70 123.77 3h4i s GLU 275 Ca 0.00 2.59 0.01 0.00 0.00 0.00 0.00 54.97 57.57 3h4i s GLU 275 Cb 0.00 -3.06 -0.04 0.00 2.00 0.00 0.00 34.13 33.02 3h4i s GLU 275 CO 0.00 -0.72 -0.01 0.14 -0.56 0.00 0.00 175.26 174.11 3h4i s VAL 276 N 0.88 0.48 -0.75 3.70 -7.23 -1.26 -5.01 120.40 111.20 3h4i s VAL 276 Ca 0.72 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 3h4i s VAL 276 Cb -0.49 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.58 3h4i s VAL 276 CO 0.36 -0.67 1.56 0.21 -0.31 0.00 0.00 175.10 176.24 3h4i s ASN 277 N -3.07 5.81 0.22 4.85 3.84 -1.26 -4.87 114.94 120.46 3h4i s ASN 277 Ca 0.18 -0.35 -0.08 0.00 0.21 0.00 0.00 52.86 52.82 3h4i s ASN 277 Cb 0.06 -2.55 0.17 0.00 -0.55 0.00 0.00 41.25 38.38 3h4i s ASN 277 CO -0.01 -2.06 1.80 0.45 -2.79 0.00 0.00 177.10 174.48 3h4i h HIS 278 N 11.74 1.20 -1.01 0.43 3.86 -1.97 -0.43 115.15 128.98 3h4i h HIS 278 Ca -0.17 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3h4i h HIS 278 Cb 1.08 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 3h4i h HIS 278 CO 1.13 0.89 0.66 1.96 0.86 0.00 0.00 177.93 183.43 3h4i h GLN 279 N 1.17 1.25 0.02 2.45 4.20 -1.91 0.13 115.11 122.43 3h4i h GLN 279 Ca 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3h4i h GLN 279 Cb 0.16 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3h4i h GLN 279 CO -0.03 0.83 -0.15 0.28 -0.67 0.00 0.00 178.83 179.09 3h4i h VAL 280 N 1.29 1.73 -0.79 -0.54 2.07 -1.88 -3.33 116.25 114.79 3h4i h VAL 280 Ca 0.40 -2.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 3h4i h VAL 280 Cb -0.03 3.29 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 3h4i h VAL 280 CO -0.12 0.61 0.49 0.25 0.02 0.00 0.00 177.57 178.83 3h4i h LEU 281 N -0.85 0.94 -1.53 2.57 5.85 -0.88 -2.41 115.31 119.00 3h4i h LEU 281 Ca -0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3h4i h LEU 281 Cb 1.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3h4i h LEU 281 CO 0.03 0.72 0.00 -0.26 -0.34 0.00 0.00 178.44 178.59 3h4i h PHE 282 N 1.08 0.00 0.00 1.25 0.04 -0.91 0.12 116.94 118.52 3h4i h PHE 282 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 3h4i h PHE 282 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3h4i h PHE 282 CO -0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 3h4i n GLY 283 N -0.23 -1.18 0.13 -1.45 0.00 -0.91 -3.84 105.19 97.71 3h4i n GLY 283 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3h4i n GLY 283 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4i n ARG 284 N -1.26 1.34 -4.35 1.61 1.74 0.39 -5.04 116.66 111.09 3h4i n ARG 284 Ca 0.14 -1.83 -0.24 0.00 -0.77 0.00 0.00 57.85 55.15 3h4i n ARG 284 Cb 0.21 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 3h4i n ARG 284 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h4i s VAL 285 N -1.61 3.07 0.13 1.55 -7.23 -1.13 -4.38 120.40 110.80 3h4i s VAL 285 Ca 0.15 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 3h4i s VAL 285 Cb 0.13 -2.59 -0.20 0.00 0.56 0.00 0.00 36.38 34.28 3h4i s VAL 285 CO 0.01 -0.29 1.29 0.00 -0.31 0.00 0.00 175.10 175.80 3h4i h ALA 286 N 2.34 0.38 -2.51 1.32 0.00 -0.93 -3.47 119.26 116.38 3h4i h ALA 286 Ca -0.44 -0.84 0.10 0.00 0.00 0.00 0.00 54.91 53.73 3h4i h ALA 286 Cb 1.24 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3h4i h ALA 286 CO 0.58 1.09 0.41 0.00 0.00 0.00 0.00 179.25 181.32 3h4i s ALA 287 N -2.87 -1.66 -0.12 0.00 0.00 -1.26 -4.28 121.76 111.58 3h4i s ALA 287 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3h4i s ALA 287 Cb 0.10 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.86 3h4i s ALA 287 CO 0.83 -0.86 -0.09 0.08 0.00 0.00 0.00 175.76 175.72 3h4i s VAL 288 N -3.38 1.15 -0.25 0.00 1.01 -0.23 -1.67 120.40 117.04 3h4i s VAL 288 Ca 0.07 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3h4i s VAL 288 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3h4i s VAL 288 CO -0.04 0.39 0.29 -0.69 0.00 0.00 0.00 175.10 175.05 3h4i s VAL 289 N 1.55 5.25 0.31 2.92 1.01 0.75 -0.97 120.40 131.22 3h4i s VAL 289 Ca 0.03 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 3h4i s VAL 289 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3h4i s VAL 289 CO -0.07 0.23 0.50 -1.38 0.00 0.00 0.00 175.10 174.38 3h4i s HIS 290 N 1.67 0.72 -0.74 5.22 -0.00 -0.55 -1.56 115.29 120.04 3h4i s HIS 290 Ca 0.12 -1.05 0.26 0.00 -0.00 0.00 0.00 55.06 54.40 3h4i s HIS 290 Cb -0.15 0.10 0.77 0.00 -0.00 0.00 0.00 32.58 33.30 3h4i s HIS 290 CO 0.09 -1.12 1.72 -2.39 -0.00 0.00 0.00 174.74 173.04 3h4i n HIS 291 N -0.49 0.82 -0.85 0.38 1.44 -1.22 -0.26 115.22 115.05 3h4i n HIS 291 Ca -0.01 0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3h4i n HIS 291 Cb 0.62 -0.87 0.00 0.00 0.12 0.00 0.00 29.99 29.85 3h4i n HIS 291 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3h4i n GLY 292 N 1.33 0.69 3.72 -1.39 0.00 -1.26 -3.90 105.19 104.37 3h4i n GLY 292 Ca 0.05 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3h4i n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h4i s GLY 293 N -2.66 2.68 0.14 -0.02 0.00 -1.26 -4.41 107.32 101.80 3h4i s GLY 293 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 44.72 45.66 3h4i s GLY 293 CO 0.00 1.55 1.73 0.00 0.00 0.00 0.00 173.10 176.38 3h4i h ALA 294 N 0.19 0.28 -0.31 3.20 0.00 -1.93 0.28 119.26 120.97 3h4i h ALA 294 Ca -0.50 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3h4i h ALA 294 Cb 1.33 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3h4i h ALA 294 CO 0.51 -0.36 -0.35 0.78 0.00 0.00 0.00 179.25 179.83 3h4i h GLY 295 N 0.16 0.86 0.88 0.00 0.00 -1.91 -1.41 103.07 101.65 3h4i h GLY 295 Ca 0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 3h4i h GLY 295 CO -0.16 0.82 0.03 -0.84 0.00 0.00 0.00 176.54 176.39 3h4i h THR 296 N 0.56 1.24 -0.68 4.70 2.02 -1.90 -0.78 112.91 118.07 3h4i h THR 296 Ca 0.04 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.41 3h4i h THR 296 Cb 0.94 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3h4i h THR 296 CO 0.09 0.27 0.42 0.74 0.37 0.00 0.00 175.52 177.41 3h4i h THR 297 N 0.30 1.09 -0.33 3.16 2.02 -0.93 -0.26 112.91 117.96 3h4i h THR 297 Ca 0.09 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3h4i h THR 297 Cb 0.37 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3h4i h THR 297 CO 0.01 0.15 0.18 0.74 0.37 0.00 0.00 175.52 176.97 3h4i h THR 298 N 0.83 1.02 -0.52 3.16 2.02 -1.02 -0.74 112.91 117.65 3h4i h THR 298 Ca 0.27 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3h4i h THR 298 Cb 0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3h4i h THR 298 CO -0.11 0.07 0.15 0.00 0.37 0.00 0.00 175.52 176.00 3h4i h ALA 299 N 1.16 0.68 -0.40 6.16 0.00 -0.68 -0.20 119.26 125.97 3h4i h ALA 299 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h4i h ALA 299 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h4i h ALA 299 CO -0.08 0.35 0.14 0.28 0.00 0.00 0.00 179.25 179.94 3h4i h VAL 300 N 0.71 1.21 -0.34 0.00 2.07 -0.89 -1.35 116.25 117.66 3h4i h VAL 300 Ca 0.17 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3h4i h VAL 300 Cb 0.29 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3h4i h VAL 300 CO -0.00 0.24 0.09 0.74 0.02 0.00 0.00 177.57 178.65 3h4i h THR 301 N 0.50 1.22 -0.36 2.57 2.02 -0.95 -1.96 112.91 115.94 3h4i h THR 301 Ca 0.13 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 3h4i h THR 301 Cb 0.24 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3h4i h THR 301 CO -0.01 0.25 0.11 -0.09 0.37 0.00 0.00 175.52 176.15 3h4i h ARG 302 N 0.40 0.52 0.00 6.66 9.65 -0.95 -2.26 114.38 128.41 3h4i h ARG 302 Ca 0.11 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3h4i h ARG 302 Cb 0.29 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3h4i h ARG 302 CO 0.00 0.47 0.00 0.00 2.80 0.00 0.00 179.97 183.24 3h4i h ALA 303 N 1.61 1.00 -0.02 2.80 0.00 -0.84 -3.44 119.26 120.37 3h4i h ALA 303 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h4i h ALA 303 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h4i h ALA 303 CO -0.01 0.00 -0.00 0.41 0.00 0.00 0.00 179.25 179.65 3h4i n GLY 304 N 0.59 0.39 3.75 0.00 0.00 -0.77 -4.57 105.19 104.58 3h4i n GLY 304 Ca 0.03 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 3h4i n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4i s ALA 305 N -2.01 3.46 0.66 4.61 0.00 -1.12 -3.84 121.76 123.51 3h4i s ALA 305 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 3h4i s ALA 305 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3h4i s ALA 305 CO 0.00 0.10 1.13 -2.30 0.00 0.00 0.00 175.76 174.69 3h4i n PRO 306 N 2.98 0.88 -4.28 0.00 -0.02 -1.26 -4.71 135.00 128.58 3h4i n PRO 306 Ca -0.06 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 3h4i n PRO 306 Cb 0.51 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 3h4i n PRO 306 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h4i s GLN 307 N -3.23 1.10 -0.19 -0.52 -0.21 -0.89 -1.06 119.66 114.67 3h4i s GLN 307 Ca 0.79 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 55.01 3h4i s GLN 307 Cb -0.38 -1.32 0.04 0.00 1.00 0.00 0.00 33.01 32.34 3h4i s GLN 307 CO 0.44 0.30 -0.12 0.08 -2.12 0.00 0.00 175.29 173.88 3h4i s VAL 308 N -1.26 1.68 -0.21 1.09 1.01 -0.14 -0.69 120.40 121.88 3h4i s VAL 308 Ca 0.06 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 3h4i s VAL 308 Cb -0.10 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3h4i s VAL 308 CO 0.04 0.27 0.26 -0.69 0.00 0.00 0.00 175.10 174.98 3h4i s VAL 309 N 1.40 5.31 -0.67 2.92 1.01 -0.14 -1.49 120.40 128.75 3h4i s VAL 309 Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3h4i s VAL 309 Cb -0.15 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.80 3h4i s VAL 309 CO -0.09 0.34 0.45 -0.69 0.00 0.00 0.00 175.10 175.11 3h4i s VAL 310 N 0.92 2.88 0.21 2.92 1.01 0.64 -1.02 120.40 127.96 3h4i s VAL 310 Ca 0.13 -4.04 -0.30 0.00 0.00 0.00 0.00 61.98 57.77 3h4i s VAL 310 Cb -0.13 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3h4i s VAL 310 CO 0.04 -0.96 1.12 -2.16 0.00 0.00 0.00 175.10 173.14 3h4i s PRO 311 N -1.18 4.59 -0.26 2.72 0.04 -1.25 -4.31 135.00 135.35 3h4i s PRO 311 Ca 0.23 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 3h4i s PRO 311 Cb -0.10 -3.24 -0.16 0.00 0.04 0.00 0.00 34.50 31.04 3h4i s PRO 311 CO -0.13 0.09 -0.23 1.04 0.04 0.00 0.00 177.00 177.82 3h4i n GLN 312 N 2.01 0.64 -3.81 4.56 1.13 -1.26 -3.84 117.38 116.81 3h4i n GLN 312 Ca 0.02 0.19 -0.03 0.00 -1.94 0.00 0.00 57.00 55.23 3h4i n GLN 312 Cb 0.45 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3h4i n GLN 312 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3h4i s LYS 313 N -2.52 1.25 6.45 -1.09 -2.85 -1.26 -4.96 119.74 114.76 3h4i s LYS 313 Ca -0.35 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 3h4i s LYS 313 Cb 0.10 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3h4i s LYS 313 CO 0.58 -0.58 0.00 0.00 0.10 0.00 0.00 175.35 175.45 3h4i n ALA 314 N -0.58 0.00 1.91 0.59 0.00 -1.26 -1.49 120.51 119.68 3h4i n ALA 314 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 3h4i n ALA 314 Cb 0.60 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.93 3h4i n ALA 314 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h4i n ASP 315 N 6.36 0.23 -0.13 0.00 5.75 -1.26 -4.29 116.55 123.22 3h4i n ASP 315 Ca 0.00 -1.06 -0.12 0.00 -0.01 0.00 0.00 54.79 53.60 3h4i n ASP 315 Cb 0.00 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 3h4i n ASP 315 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3h4i h GLN 316 N 0.36 0.83 -0.62 0.11 4.20 -1.47 -2.33 115.11 116.19 3h4i h GLN 316 Ca 0.00 -0.37 0.08 0.00 0.06 0.00 0.00 58.65 58.42 3h4i h GLN 316 Cb 0.08 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3h4i h GLN 316 CO 0.00 1.01 0.41 -1.35 -0.67 0.00 0.00 178.83 178.23 3h4i h PRO 317 N 0.64 0.52 -0.30 1.46 0.11 -1.76 -0.37 132.00 132.30 3h4i h PRO 317 Ca 0.08 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.19 3h4i h PRO 317 Cb 0.77 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3h4i h PRO 317 CO 0.06 0.35 0.12 -0.92 -0.21 0.00 0.00 178.00 177.40 3h4i h TYR 318 N 0.54 0.22 -0.32 0.65 3.20 -1.71 -0.98 116.97 118.57 3h4i h TYR 318 Ca 0.28 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 3h4i h TYR 318 Cb 0.39 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3h4i h TYR 318 CO -0.00 0.11 -0.32 1.88 -1.64 0.00 0.00 178.16 178.19 3h4i h TYR 319 N 0.27 0.82 -0.55 -3.82 0.05 -1.04 -0.99 116.97 111.72 3h4i h TYR 319 Ca 0.13 -0.22 0.05 0.00 0.05 0.00 0.00 58.73 58.75 3h4i h TYR 319 Cb 0.08 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.58 3h4i h TYR 319 CO -0.12 0.94 0.28 0.00 -1.05 0.00 0.00 178.16 178.21 3h4i h ALA 320 N 1.04 0.72 -0.70 3.88 0.00 -0.87 -0.65 119.26 122.68 3h4i h ALA 320 Ca 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3h4i h ALA 320 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h4i h ALA 320 CO 0.07 -0.08 0.18 0.78 0.00 0.00 0.00 179.25 180.21 3h4i h GLY 321 N 0.52 1.18 0.97 0.00 0.00 -0.78 -1.71 103.07 103.25 3h4i h GLY 321 Ca 0.25 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3h4i h GLY 321 CO -0.18 0.67 0.07 3.21 0.00 0.00 0.00 176.54 180.31 3h4i h ARG 322 N 1.05 0.76 -0.48 4.80 2.47 -0.75 -0.32 114.38 121.91 3h4i h ARG 322 Ca 0.22 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3h4i h ARG 322 Cb 0.34 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 3h4i h ARG 322 CO -0.00 0.78 0.27 0.28 0.56 0.00 0.00 179.97 181.86 3h4i h VAL 323 N 0.63 1.16 -0.44 2.04 2.07 -0.96 0.42 116.25 121.17 3h4i h VAL 323 Ca 0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3h4i h VAL 323 Cb 0.39 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3h4i h VAL 323 CO 0.01 0.17 0.22 0.00 0.02 0.00 0.00 177.57 177.99 3h4i h ALA 324 N 1.12 0.57 -0.49 1.67 0.00 -1.17 -2.15 119.26 118.80 3h4i h ALA 324 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3h4i h ALA 324 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h4i h ALA 324 CO -0.03 0.11 0.11 0.22 0.00 0.00 0.00 179.25 179.67 3h4i h ASP 325 N 0.57 0.70 1.26 0.00 3.58 -0.74 -1.86 116.42 119.92 3h4i h ASP 325 Ca 0.15 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3h4i h ASP 325 Cb 0.10 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3h4i h ASP 325 CO -0.02 0.70 0.00 -0.07 -2.88 0.00 0.00 179.24 176.96 3h4i h LEU 326 N 0.72 0.00 0.08 2.28 3.38 -0.74 -3.47 115.31 117.56 3h4i h LEU 326 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3h4i h LEU 326 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3h4i h LEU 326 CO -0.00 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.11 3h4i n GLY 327 N 0.38 0.46 0.75 0.83 0.00 -0.70 -4.93 105.19 101.97 3h4i n GLY 327 Ca 0.02 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.13 3h4i n GLY 327 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h4i n VAL 328 N -3.12 0.10 -3.84 1.61 0.24 -1.06 -4.63 118.33 107.63 3h4i n VAL 328 Ca -0.01 -0.55 0.01 0.00 -2.04 0.00 0.00 64.34 61.74 3h4i n VAL 328 Cb 0.12 1.28 0.01 0.00 -1.47 0.00 0.00 33.84 33.78 3h4i n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h4i n GLY 329 N 1.02 0.61 3.38 7.63 0.00 -1.23 -2.09 105.19 114.51 3h4i n GLY 329 Ca 0.11 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 3h4i n GLY 329 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h4i s VAL 330 N -2.17 3.00 -0.59 1.61 1.01 0.14 -4.10 120.40 119.30 3h4i s VAL 330 Ca 0.12 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 3h4i s VAL 330 Cb -0.01 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3h4i s VAL 330 CO 0.00 0.54 1.03 0.00 0.00 0.00 0.00 175.10 176.67 3h4i s ALA 331 N 0.19 3.08 0.34 5.51 0.00 -1.26 -0.96 121.76 128.65 3h4i s ALA 331 Ca -0.08 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 3h4i s ALA 331 Cb -0.15 -3.87 -0.11 0.00 0.00 0.00 0.00 23.12 18.99 3h4i s ALA 331 CO 0.05 -2.58 1.53 -1.58 0.00 0.00 0.00 175.76 173.18 3h4i s HIS 332 N 4.37 2.65 -1.06 0.00 2.46 -0.18 -4.88 115.29 118.64 3h4i s HIS 332 Ca 0.33 1.02 -0.22 0.00 0.47 0.00 0.00 55.06 56.66 3h4i s HIS 332 Cb -0.11 -4.04 0.06 0.00 -0.13 0.00 0.00 32.58 28.36 3h4i s HIS 332 CO 0.19 -3.23 1.46 0.34 -2.47 0.00 0.00 174.74 171.04 3h4i s ASP 333 N 0.10 6.57 0.00 9.88 -1.08 -1.26 -4.75 116.67 126.13 3h4i s ASP 333 Ca 0.57 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 3h4i s ASP 333 Cb -0.47 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.44 3h4i s ASP 333 CO 0.57 -1.41 0.00 0.61 0.52 0.00 0.00 175.17 175.46 3h4i n GLY 334 N 6.50 2.49 0.10 2.66 0.00 -1.26 -4.86 105.19 110.83 3h4i n GLY 334 Ca 0.35 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.50 3h4i n GLY 334 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h4i n PRO 335 N 0.32 0.25 -3.78 1.61 -0.04 -1.25 -4.45 135.00 127.66 3h4i n PRO 335 Ca 0.00 0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 63.37 3h4i n PRO 335 Cb 0.00 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.53 3h4i n PRO 335 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3h4i s THR 336 N -3.10 1.62 0.68 0.52 2.01 -1.26 -4.60 115.64 111.51 3h4i s THR 336 Ca 0.11 -2.55 -0.15 0.00 0.31 0.00 0.00 61.69 59.40 3h4i s THR 336 Cb 0.12 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3h4i s THR 336 CO 0.59 -0.83 1.15 -2.84 -0.69 0.00 0.00 174.62 172.00 3h4i s PRO 337 N 0.42 2.54 0.40 4.92 0.02 -1.26 -5.06 135.00 136.97 3h4i s PRO 337 Ca 0.16 1.56 0.08 0.00 0.02 0.00 0.00 61.00 62.82 3h4i s PRO 337 Cb -0.24 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.38 3h4i s PRO 337 CO -0.03 -1.48 0.49 0.95 -0.33 0.00 0.00 177.00 176.60 3h4i s THR 338 N -2.16 3.17 0.22 0.99 -4.23 -1.26 -4.95 115.64 107.42 3h4i s THR 338 Ca 0.70 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 3h4i s THR 338 Cb -0.24 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.68 3h4i s THR 338 CO 0.42 -0.04 1.82 0.58 -0.54 0.00 0.00 174.62 176.86 3h4i h VAL 339 N 0.82 0.98 -0.19 2.29 2.07 -1.96 -1.02 116.25 119.25 3h4i h VAL 339 Ca -0.42 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3h4i h VAL 339 Cb 1.27 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3h4i h VAL 339 CO 0.50 0.14 0.08 -0.33 0.02 0.00 0.00 177.57 177.98 3h4i h GLU 340 N 0.79 0.28 -0.42 1.57 3.07 -1.95 0.79 114.58 118.70 3h4i h GLU 340 Ca 0.34 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 3h4i h GLU 340 Cb 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3h4i h GLU 340 CO -0.19 0.34 -0.30 0.66 -1.40 0.00 0.00 179.01 178.12 3h4i h SER 341 N 0.15 1.00 -0.16 1.42 4.64 -1.89 -1.52 113.55 117.19 3h4i h SER 341 Ca 0.06 -0.44 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 3h4i h SER 341 Cb 0.17 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3h4i h SER 341 CO -0.01 1.22 -0.53 0.25 -0.87 0.00 0.00 176.83 176.89 3h4i h LEU 342 N 0.79 0.82 -0.62 5.97 5.85 -1.17 -1.88 115.31 125.07 3h4i h LEU 342 Ca 0.08 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3h4i h LEU 342 Cb 0.89 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3h4i h LEU 342 CO 0.08 1.20 0.41 -1.28 -0.34 0.00 0.00 178.44 178.51 3h4i h SER 343 N 0.57 0.72 -0.59 1.25 0.87 -0.76 0.53 113.55 116.14 3h4i h SER 343 Ca 0.02 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3h4i h SER 343 Cb 1.11 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 3h4i h SER 343 CO 0.11 0.52 0.22 0.00 -0.53 0.00 0.00 176.83 177.15 3h4i h ALA 344 N 1.23 0.77 -0.57 6.23 0.00 -1.20 -0.25 119.26 125.46 3h4i h ALA 344 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h4i h ALA 344 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3h4i h ALA 344 CO -0.05 0.40 0.19 0.00 0.00 0.00 0.00 179.25 179.79 3h4i h ALA 345 N 1.08 0.74 -0.62 0.00 0.00 -1.00 -2.57 119.26 116.88 3h4i h ALA 345 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h4i h ALA 345 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3h4i h ALA 345 CO -0.01 0.40 0.22 -0.07 0.00 0.00 0.00 179.25 179.78 3h4i h LEU 346 N 0.79 0.89 -0.71 0.00 3.38 -0.68 -1.18 115.31 117.80 3h4i h LEU 346 Ca 0.18 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3h4i h LEU 346 Cb 0.27 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3h4i h LEU 346 CO -0.01 0.84 0.40 0.00 0.09 0.00 0.00 178.44 179.77 3h4i h ALA 347 N 1.08 0.97 -0.57 1.53 0.00 -0.90 -0.06 119.26 121.31 3h4i h ALA 347 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3h4i h ALA 347 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h4i h ALA 347 CO -0.01 0.08 0.22 1.15 0.00 0.00 0.00 179.25 180.69 3h4i h THR 348 N 0.73 1.23 0.00 0.00 2.02 -1.19 -2.85 112.91 112.84 3h4i h THR 348 Ca 0.32 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3h4i h THR 348 Cb 0.22 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3h4i h THR 348 CO -0.20 0.27 0.00 0.00 0.37 0.00 0.00 175.52 175.97 3h4i n ALA 349 N -2.36 1.79 -0.40 6.16 0.00 -0.47 -3.34 120.51 121.88 3h4i n ALA 349 Ca 0.03 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3h4i n ALA 349 Cb 0.17 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 18.57 3h4i n ALA 349 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h4i n LEU 350 N -1.98 3.99 -4.81 0.00 4.77 -0.12 -4.66 117.00 114.18 3h4i n LEU 350 Ca 0.03 -2.08 -0.33 0.00 -0.03 0.00 0.00 56.01 53.61 3h4i n LEU 350 Cb 0.25 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3h4i n LEU 350 CO 0.20 0.93 0.70 0.42 -1.33 0.00 0.00 177.39 178.32 3h4i s THR 351 N -1.15 4.02 0.39 -5.08 -4.23 -1.21 -4.95 115.64 103.43 3h4i s THR 351 Ca 0.47 1.02 0.07 0.00 -1.18 0.00 0.00 61.69 62.07 3h4i s THR 351 Cb 0.25 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.88 3h4i s THR 351 CO 0.30 -0.50 2.01 -0.65 -0.54 0.00 0.00 174.62 175.24 3h4i h PRO 352 N 0.81 0.62 0.04 3.99 0.11 -1.93 -2.47 132.00 133.16 3h4i h PRO 352 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h4i h PRO 352 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h4i h PRO 352 CO 0.59 0.41 -0.02 0.78 -0.21 0.00 0.00 178.00 179.55 3h4i h GLY 353 N 0.63 -0.06 1.74 -0.55 0.00 -1.96 -1.76 103.07 101.12 3h4i h GLY 353 Ca 0.22 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 3h4i h GLY 353 CO -0.06 -0.02 -0.31 1.19 0.00 0.00 0.00 176.54 177.34 3h4i h ILE 354 N -0.13 1.27 -0.41 2.60 2.10 -1.85 -0.94 117.51 120.16 3h4i h ILE 354 Ca -0.01 -1.30 0.02 0.00 1.08 0.00 0.00 64.86 64.66 3h4i h ILE 354 Cb 0.11 1.50 -0.03 0.00 -1.09 0.00 0.00 36.82 37.31 3h4i h ILE 354 CO 0.01 0.40 0.22 -0.09 -1.08 0.00 0.00 178.15 177.61 3h4i h ARG 355 N 0.26 0.44 -0.47 2.19 2.43 -1.26 0.47 114.38 118.44 3h4i h ARG 355 Ca 0.04 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3h4i h ARG 355 Cb 0.68 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3h4i h ARG 355 CO 0.05 0.29 0.04 0.00 -1.51 0.00 0.00 179.97 178.84 3h4i h ALA 356 N 1.20 0.63 -0.50 2.80 0.00 -0.87 -1.18 119.26 121.33 3h4i h ALA 356 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h4i h ALA 356 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h4i h ALA 356 CO -0.10 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.78 3h4i h ARG 357 N 0.66 0.72 -0.74 0.00 3.08 -0.95 -1.35 114.38 115.80 3h4i h ARG 357 Ca 0.14 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3h4i h ARG 357 Cb 0.45 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3h4i h ARG 357 CO 0.02 0.61 0.38 0.00 -1.07 0.00 0.00 179.97 179.91 3h4i h ALA 358 N 1.07 0.96 -0.89 0.04 0.00 -0.84 -1.35 119.26 118.25 3h4i h ALA 358 Ca 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h4i h ALA 358 Cb 0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3h4i h ALA 358 CO -0.02 0.50 0.59 0.00 0.00 0.00 0.00 179.25 180.32 3h4i h ALA 359 N 1.19 1.14 -0.25 0.00 0.00 -0.87 -1.95 119.26 118.52 3h4i h ALA 359 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3h4i h ALA 359 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h4i h ALA 359 CO -0.04 0.50 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 3h4i h ALA 360 N 1.34 0.35 -0.11 0.00 0.00 -0.86 -3.13 119.26 116.85 3h4i h ALA 360 Ca 0.33 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3h4i h ALA 360 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h4i h ALA 360 CO -0.08 0.24 -0.26 0.28 0.00 0.00 0.00 179.25 179.43 3h4i h VAL 361 N 0.25 1.23 -0.80 0.00 2.07 -1.12 -2.93 116.25 114.95 3h4i h VAL 361 Ca 0.05 -1.08 0.15 0.00 0.82 0.00 0.00 66.70 66.64 3h4i h VAL 361 Cb 0.67 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 3h4i h VAL 361 CO 0.04 0.33 0.35 0.00 0.02 0.00 0.00 177.57 178.31 3h4i h ALA 362 N 1.57 1.18 0.00 1.67 0.00 -1.29 -0.70 119.26 121.68 3h4i h ALA 362 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h4i h ALA 362 Cb 0.55 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h4i h ALA 362 CO 0.04 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3h4i n GLY 363 N -1.33 -1.14 0.04 0.00 0.00 -1.11 -2.38 105.19 99.28 3h4i n GLY 363 Ca 0.16 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3h4i n GLY 363 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h4i n THR 364 N -2.13 0.00 -2.95 2.61 -2.24 -0.27 -4.85 114.28 104.45 3h4i n THR 364 Ca 0.02 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3h4i n THR 364 Cb 0.18 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 3h4i n THR 364 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h4i s ILE 365 N -2.93 4.77 0.41 2.28 -1.09 -1.00 -4.84 121.20 118.79 3h4i s ILE 365 Ca 0.12 1.08 -0.21 0.00 -2.23 0.00 0.00 60.65 59.41 3h4i s ILE 365 Cb 0.17 -4.17 -0.11 0.00 -1.58 0.00 0.00 42.46 36.78 3h4i s ILE 365 CO 0.72 -0.31 0.94 -0.13 -1.23 0.00 0.00 174.94 174.92 3h4i s ARG 366 N 3.01 4.27 0.00 2.79 0.52 -1.26 -4.98 118.95 123.29 3h4i s ARG 366 Ca 0.32 1.12 0.04 0.00 -0.52 0.00 0.00 55.73 56.69 3h4i s ARG 366 Cb -0.14 -2.29 0.09 0.00 0.52 0.00 0.00 34.95 33.13 3h4i s ARG 366 CO 0.14 0.03 0.91 0.25 0.02 0.00 0.00 175.30 176.64 3h4i n THR 367 N -0.45 0.58 -0.78 0.02 -2.24 -1.26 -4.63 114.28 105.52 3h4i n THR 367 Ca 0.06 -0.79 0.08 0.00 -2.27 0.00 0.00 64.05 61.13 3h4i n THR 367 Cb 0.53 0.75 0.37 0.00 -2.10 0.00 0.00 70.33 69.88 3h4i n THR 367 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h4i n ASP 368 N 0.05 5.09 -0.20 3.42 5.68 -1.26 -4.57 116.55 124.76 3h4i n ASP 368 Ca 0.04 -2.72 0.14 0.00 -0.50 0.00 0.00 54.79 51.75 3h4i n ASP 368 Cb 0.23 -0.62 0.46 0.00 -1.14 0.00 0.00 41.12 40.05 3h4i n ASP 368 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3h4i h GLY 369 N 3.77 0.88 2.00 6.12 0.00 -1.71 -0.72 103.07 113.40 3h4i h GLY 369 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3h4i h GLY 369 CO 0.35 0.08 -0.21 -0.91 0.00 0.00 0.00 176.54 175.84 3h4i h THR 370 N 0.52 0.86 -0.18 4.70 1.35 -1.81 -1.31 112.91 117.04 3h4i h THR 370 Ca 0.39 -0.81 -0.20 0.00 -0.55 0.00 0.00 66.41 65.25 3h4i h THR 370 Cb 0.78 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3h4i h THR 370 CO -0.15 0.21 -0.67 0.74 -0.25 0.00 0.00 175.52 175.40 3h4i h THR 371 N 0.00 1.30 -0.08 6.82 2.02 -1.49 -0.59 112.91 120.89 3h4i h THR 371 Ca -0.00 -1.91 0.02 0.00 0.77 0.00 0.00 66.41 65.29 3h4i h THR 371 Cb 0.46 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3h4i h THR 371 CO 0.03 0.60 -0.04 0.58 0.37 0.00 0.00 175.52 177.06 3h4i h VAL 372 N 0.52 0.88 -0.96 3.16 2.07 -1.24 -1.52 116.25 119.15 3h4i h VAL 372 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3h4i h VAL 372 Cb 1.27 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3h4i h VAL 372 CO 0.14 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.31 3h4i h ALA 373 N 1.05 1.22 -0.67 1.67 0.00 -1.17 -0.88 119.26 120.48 3h4i h ALA 373 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h4i h ALA 373 Cb 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3h4i h ALA 373 CO -0.10 0.67 0.37 0.00 0.00 0.00 0.00 179.25 180.19 3h4i h ALA 374 N 1.32 0.85 -0.61 0.00 0.00 -0.81 -0.37 119.26 119.63 3h4i h ALA 374 Ca 0.34 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3h4i h ALA 374 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h4i h ALA 374 CO -0.07 0.37 0.04 -0.22 0.00 0.00 0.00 179.25 179.37 3h4i h LYS 375 N 0.91 1.05 -0.95 0.00 1.63 -0.84 -0.22 116.57 118.16 3h4i h LYS 375 Ca 0.23 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 3h4i h LYS 375 Cb 0.04 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 3h4i h LYS 375 CO -0.04 1.01 0.58 -0.07 -3.45 0.00 0.00 179.45 177.48 3h4i h LEU 376 N 0.96 1.14 -0.36 5.20 3.38 -0.84 -1.70 115.31 123.09 3h4i h LEU 376 Ca 0.18 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3h4i h LEU 376 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3h4i h LEU 376 CO 0.02 0.87 0.03 -0.07 0.09 0.00 0.00 178.44 179.38 3h4i h LEU 377 N 1.31 0.60 -0.52 1.67 3.38 -0.77 -1.73 115.31 119.25 3h4i h LEU 377 Ca 0.34 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.13 3h4i h LEU 377 Cb -0.06 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.44 3h4i h LEU 377 CO -0.06 0.73 0.01 0.25 0.09 0.00 0.00 178.44 179.46 3h4i h LEU 378 N 0.44 -0.20 -0.66 1.67 5.85 -0.74 -0.77 115.31 120.90 3h4i h LEU 378 Ca 0.11 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3h4i h LEU 378 Cb 0.41 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3h4i h LEU 378 CO 0.01 -0.07 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.65 3h4i h GLU 379 N 0.13 0.98 -0.48 1.25 5.08 -1.17 -0.92 114.58 119.44 3h4i h GLU 379 Ca 0.26 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3h4i h GLU 379 Cb 0.40 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3h4i h GLU 379 CO -0.42 1.00 0.13 0.00 -1.00 0.00 0.00 179.01 178.71 3h4i h ALA 380 N 1.03 0.64 -0.31 3.43 0.00 -0.83 -2.68 119.26 120.54 3h4i h ALA 380 Ca 0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3h4i h ALA 380 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h4i h ALA 380 CO 0.04 0.32 -0.15 0.82 0.00 0.00 0.00 179.25 180.28 3h4i h ILE 381 N 0.66 1.29 -0.98 0.00 2.04 -1.06 -3.21 117.51 116.25 3h4i h ILE 381 Ca 0.15 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.81 3h4i h ILE 381 Cb 0.31 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3h4i h ILE 381 CO -0.00 0.40 0.63 0.28 0.00 0.00 0.00 178.15 179.47 3h4i h SER 382 N 0.40 1.04 0.00 1.72 0.02 -1.14 -3.52 113.55 112.08 3h4i h SER 382 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3h4i h SER 382 Cb 0.67 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3h4i h SER 382 CO 0.04 0.69 0.00 0.54 -1.14 0.00 0.00 176.83 176.96 3h4i n ARG 383 N -4.49 0.06 0.00 3.45 1.74 -1.01 -5.10 116.66 111.30 3h4i n ARG 383 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3h4i n ARG 383 Cb 0.13 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3h4i n ARG 383 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h4i n ALA 533 N 0.70 0.00 -0.34 7.54 0.00 -1.26 -4.99 120.51 122.16 3h4i n ALA 533 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h4i n ALA 533 Cb 0.02 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.64 3h4i n ALA 533 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3h4i h LYS 534 N 0.00 1.19 0.01 0.00 5.09 -1.91 -1.16 116.57 119.80 3h4i h LYS 534 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 60.65 60.67 3h4i h LYS 534 Cb 0.00 -0.27 0.00 0.00 0.10 0.00 0.00 32.23 32.06 3h4i h LYS 534 CO 0.00 0.79 -0.00 1.25 -2.09 0.00 0.00 179.45 179.39 3h4i h LEU 535 N 1.22 -0.01 -0.74 7.07 5.85 -1.83 -0.12 115.31 126.75 3h4i h LEU 535 Ca 0.37 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3h4i h LEU 535 Cb -0.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3h4i h LEU 535 CO -0.11 0.34 0.47 0.00 -0.34 0.00 0.00 178.44 178.80 3h4i h ALA 536 N 0.63 0.96 -0.69 1.25 0.00 -1.87 -1.38 119.26 118.15 3h4i h ALA 536 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3h4i h ALA 536 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h4i h ALA 536 CO 0.00 0.28 0.24 0.00 0.00 0.00 0.00 179.25 179.78 3h4i h ALA 537 N 1.30 0.90 -0.49 0.00 0.00 -1.16 -1.17 119.26 118.64 3h4i h ALA 537 Ca 0.29 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3h4i h ALA 537 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3h4i h ALA 537 CO -0.10 0.56 -0.14 0.00 0.00 0.00 0.00 179.25 179.57 3h4i h ALA 538 N 1.11 0.82 -0.08 0.00 0.00 -0.69 -2.25 119.26 118.18 3h4i h ALA 538 Ca 0.23 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3h4i h ALA 538 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h4i h ALA 538 CO -0.01 0.65 -0.71 -0.07 0.00 0.00 0.00 179.25 179.11 3h4i h LEU 539 N 0.83 0.43 -1.33 0.00 3.38 -1.14 -2.39 115.31 115.09 3h4i h LEU 539 Ca 0.13 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3h4i h LEU 539 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3h4i h LEU 539 CO 0.05 1.00 0.03 -0.33 0.09 0.00 0.00 178.44 179.29 3h4i h GLU 540 N 0.25 0.48 -0.48 1.13 5.08 -1.14 -2.78 114.58 117.13 3h4i h GLU 540 Ca -0.03 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3h4i h GLU 540 Cb 1.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3h4i h GLU 540 CO 0.12 0.49 -0.21 1.25 -1.00 0.00 0.00 179.01 179.65 3h4i h HIS 541 N 0.47 1.14 0.00 4.33 -0.00 -1.18 -3.51 115.15 116.41 3h4i h HIS 541 Ca 0.11 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 3h4i h HIS 541 Cb 0.26 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 3h4i h HIS 541 CO 0.01 1.10 0.00 1.58 -0.00 0.00 0.00 177.93 180.62