#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h s GLU 2 N 0.00 1.12 0.23 1.61 2.56 -1.26 -5.16 118.70 117.80 3h1h s GLU 2 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 54.97 54.01 3h1h s GLU 2 Cb 0.00 0.50 -0.09 0.00 2.00 0.00 0.00 34.13 36.54 3h1h s GLU 2 CO 0.00 -0.45 0.95 -0.51 -0.56 0.00 0.00 175.26 174.69 3h1h s LEU 3 N -2.79 4.64 -0.01 2.70 1.43 -1.26 -5.07 118.68 118.32 3h1h s LEU 3 Ca 0.03 1.96 -0.23 0.00 -1.03 0.00 0.00 54.13 54.85 3h1h s LEU 3 Cb 0.01 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3h1h s LEU 3 CO -0.12 0.13 0.50 -1.83 0.23 0.00 0.00 176.35 175.26 3h1h s GLU 4 N -1.11 0.91 -0.16 1.70 -1.05 -1.26 -4.80 118.70 112.93 3h1h s GLU 4 Ca 0.42 -0.04 -0.04 0.00 -0.15 0.00 0.00 54.97 55.16 3h1h s GLU 4 Cb -0.26 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 3h1h s GLU 4 CO 0.32 -0.29 -0.03 -1.17 0.95 0.00 0.00 175.26 175.04 3h1h s LEU 5 N -1.46 3.29 -0.14 1.83 2.96 -1.26 -5.10 118.68 118.81 3h1h s LEU 5 Ca -0.10 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 3h1h s LEU 5 Cb -0.02 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3h1h s LEU 5 CO 0.05 0.17 0.31 -1.00 -1.32 0.00 0.00 176.35 174.56 3h1h s HIS 6 N 0.34 3.50 0.92 5.38 3.76 -1.26 -4.81 115.29 123.13 3h1h s HIS 6 Ca -0.04 0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 55.43 3h1h s HIS 6 Cb -0.14 -2.33 0.15 0.00 1.11 0.00 0.00 32.58 31.38 3h1h s HIS 6 CO 0.03 0.31 1.15 -1.25 -0.85 0.00 0.00 174.74 174.12 3h1h s PRO 7 N 0.21 0.94 0.54 8.40 0.04 -1.26 -5.02 135.00 138.85 3h1h s PRO 7 Ca 0.18 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 3h1h s PRO 7 Cb -0.13 -1.72 0.12 0.00 0.04 0.00 0.00 34.50 32.81 3h1h s PRO 7 CO 0.05 -2.69 0.74 -0.35 0.04 0.00 0.00 177.00 174.80 3h1h n PRO 8 N -4.28 -0.37 -3.69 0.56 -0.04 -1.26 -5.00 135.00 120.92 3h1h n PRO 8 Ca 0.12 -1.48 -0.38 0.00 -0.04 0.00 0.00 63.50 61.71 3h1h n PRO 8 Cb 0.52 -0.66 -0.11 0.00 -0.04 0.00 0.00 33.50 33.21 3h1h n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1h s ALA 9 N -3.55 3.21 0.33 0.55 0.00 -1.26 -4.80 121.76 116.24 3h1h s ALA 9 Ca 0.45 -2.29 -0.23 0.00 0.00 0.00 0.00 51.96 49.89 3h1h s ALA 9 Cb -0.02 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 3h1h s ALA 9 CO 0.31 -1.69 0.89 -0.06 0.00 0.00 0.00 175.76 175.20 3h1h s PHE 10 N 1.30 3.57 -1.41 0.00 0.40 -1.26 -4.95 117.98 115.64 3h1h s PHE 10 Ca 0.04 1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.84 3h1h s PHE 10 Cb -0.23 -2.82 0.05 0.00 0.51 0.00 0.00 43.02 40.53 3h1h s PHE 10 CO -0.01 0.15 2.10 -0.35 0.70 0.00 0.00 175.22 177.81 3h1h n PRO 11 N 0.25 2.92 -1.70 0.24 -0.04 -1.26 -4.97 135.00 130.44 3h1h n PRO 11 Ca 0.02 -2.77 -0.39 0.00 -0.04 0.00 0.00 63.50 60.33 3h1h n PRO 11 Cb 0.51 -3.34 0.04 0.00 -0.04 0.00 0.00 33.50 30.68 3h1h n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h1h n TRP 12 N 6.75 1.79 0.28 0.54 7.02 -1.26 -4.84 117.44 127.72 3h1h n TRP 12 Ca 0.51 0.45 0.06 0.00 -1.02 0.00 0.00 57.50 57.49 3h1h n TRP 12 Cb 0.41 -2.29 0.26 0.00 -2.42 0.00 0.00 31.31 27.27 3h1h n TRP 12 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3h1h n SER 13 N -0.86 0.15 -0.56 -0.99 3.41 -1.26 -2.27 113.62 111.24 3h1h n SER 13 Ca 0.12 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 3h1h n SER 13 Cb 0.45 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 64.02 3h1h n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1h n HIS 14 N -1.68 0.12 0.03 7.33 -0.00 -1.25 -4.54 115.22 115.22 3h1h n HIS 14 Ca 0.02 -1.41 -0.06 0.00 -0.00 0.00 0.00 57.72 56.26 3h1h n HIS 14 Cb 0.11 -0.26 -0.11 0.00 -0.00 0.00 0.00 29.99 29.73 3h1h n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1h h GLY 15 N 0.83 0.00 -4.48 -1.39 0.00 -1.69 -3.46 103.07 92.88 3h1h h GLY 15 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.83 3h1h h GLY 15 CO 0.04 0.00 0.92 -0.32 0.00 0.00 0.00 176.54 177.18 3h1h s GLY 16 N -4.86 1.69 0.49 4.60 0.00 -1.26 -4.86 107.32 103.11 3h1h s GLY 16 Ca -0.01 1.52 0.28 0.00 0.00 0.00 0.00 44.72 46.50 3h1h s GLY 16 CO 0.82 2.67 1.85 -0.56 0.00 0.00 0.00 173.10 177.87 3h1h h PRO 17 N 5.96 0.14 -0.34 2.90 0.13 -2.00 0.67 132.00 139.46 3h1h h PRO 17 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3h1h h PRO 17 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3h1h h PRO 17 CO 0.88 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3h1h n LEU 18 N -4.36 3.34 -4.70 1.56 4.77 -1.26 -4.79 117.00 111.56 3h1h n LEU 18 Ca 0.21 -1.46 -0.36 0.00 -0.03 0.00 0.00 56.01 54.37 3h1h n LEU 18 Cb 0.95 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 3h1h n LEU 18 CO 0.35 0.71 -0.08 -0.94 -1.33 0.00 0.00 177.39 176.10 3h1h s SER 19 N -1.48 6.29 0.94 -1.43 1.04 0.23 -4.96 113.70 114.33 3h1h s SER 19 Ca 0.36 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 3h1h s SER 19 Cb 0.21 -2.15 0.16 0.00 0.10 0.00 0.00 66.02 64.34 3h1h s SER 19 CO 0.30 0.07 0.95 0.00 0.98 0.00 0.00 173.24 175.53 3h1h n ALA 20 N 3.97 -0.91 -1.97 5.32 0.00 -1.26 -4.55 120.51 121.11 3h1h n ALA 20 Ca -0.13 -1.32 -0.34 0.00 0.00 0.00 0.00 53.44 51.65 3h1h n ALA 20 Cb 0.52 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3h1h n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1h s LEU 21 N 0.00 4.15 -0.78 0.00 1.43 -1.26 -3.90 118.68 118.31 3h1h s LEU 21 Ca 0.55 1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 54.98 3h1h s LEU 21 Cb -0.02 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.21 3h1h s LEU 21 CO 0.38 -0.17 1.03 -0.62 0.23 0.00 0.00 176.35 177.20 3h1h s ASP 22 N -1.98 6.37 0.64 2.29 2.15 -1.26 -4.87 116.67 120.01 3h1h s ASP 22 Ca 0.53 -1.47 0.29 0.00 0.43 0.00 0.00 52.55 52.33 3h1h s ASP 22 Cb -0.13 -2.41 1.55 0.00 -0.30 0.00 0.00 42.92 41.63 3h1h s ASP 22 CO 0.18 -1.27 1.90 0.45 -0.17 0.00 0.00 175.17 176.27 3h1h h HIS 23 N 9.25 0.00 -0.05 -5.34 3.86 -1.94 0.18 115.15 121.11 3h1h h HIS 23 Ca -0.09 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3h1h h HIS 23 Cb 1.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 3h1h h HIS 23 CO 1.05 0.00 -0.07 0.77 0.86 0.00 0.00 177.93 180.54 3h1h h SER 24 N 0.00 0.14 -0.51 2.45 0.02 -1.90 0.14 113.55 113.89 3h1h h SER 24 Ca 0.07 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3h1h h SER 24 Cb 0.85 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3h1h h SER 24 CO -0.00 0.64 0.24 -1.28 -1.14 0.00 0.00 176.83 175.29 3h1h h SER 25 N -0.35 0.71 -0.43 3.07 0.87 -1.10 -1.35 113.55 114.97 3h1h h SER 25 Ca 0.01 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 3h1h h SER 25 Cb 0.61 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3h1h h SER 25 CO 0.02 0.62 0.00 0.58 -0.53 0.00 0.00 176.83 177.52 3h1h h VAL 26 N 0.78 1.26 -0.92 2.23 2.07 -1.04 -0.91 116.25 119.72 3h1h h VAL 26 Ca 0.19 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3h1h h VAL 26 Cb 0.12 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3h1h h VAL 26 CO -0.02 0.35 0.60 -0.09 0.02 0.00 0.00 177.57 178.43 3h1h h ARG 27 N 0.60 1.10 0.35 1.57 2.43 0.06 -0.44 114.38 120.04 3h1h h ARG 27 Ca 0.12 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3h1h h ARG 27 Cb 0.49 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3h1h h ARG 27 CO 0.02 0.73 -0.17 0.00 -1.51 0.00 0.00 179.97 179.04 3h1h h ARG 28 N 1.13 -0.46 -0.94 0.20 3.08 -1.00 -2.91 114.38 113.49 3h1h h ARG 28 Ca 0.37 0.03 0.28 0.00 0.07 0.00 0.00 59.98 60.74 3h1h h ARG 28 Cb 0.06 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.06 3h1h h ARG 28 CO -0.12 -0.17 0.32 0.78 -1.07 0.00 0.00 179.97 179.70 3h1h h GLY 29 N -0.71 1.62 0.84 0.04 0.00 -0.28 1.16 103.07 105.74 3h1h h GLY 29 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.27 3h1h h GLY 29 CO 0.08 -0.47 0.63 -2.75 0.00 0.00 0.00 176.54 174.02 3h1h h PHE 30 N 0.18 1.15 -0.00 5.60 3.57 -0.92 0.41 116.94 126.93 3h1h h PHE 30 Ca 0.64 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.17 3h1h h PHE 30 Cb 1.40 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3h1h h PHE 30 CO -0.21 0.62 0.00 1.96 -2.23 0.00 0.00 178.31 178.45 3h1h h GLN 31 N 1.15 0.00 -0.62 1.11 4.20 0.14 0.14 115.11 121.24 3h1h h GLN 31 Ca 0.40 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.24 3h1h h GLN 31 Cb 0.12 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.80 3h1h h GLN 31 CO -0.15 0.23 0.05 0.28 -0.67 0.00 0.00 178.83 178.57 3h1h h VAL 32 N -0.22 0.52 -0.26 -0.54 2.07 -0.17 0.53 116.25 118.19 3h1h h VAL 32 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3h1h h VAL 32 Cb 0.22 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3h1h h VAL 32 CO -0.00 0.03 0.07 0.22 0.02 0.00 0.00 177.57 177.91 3h1h h TYR 33 N 0.16 0.43 -0.73 1.57 3.20 -0.70 0.46 116.97 121.36 3h1h h TYR 33 Ca 0.33 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3h1h h TYR 33 Cb 0.53 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3h1h h TYR 33 CO -0.33 0.48 0.43 -0.22 -1.64 0.00 0.00 178.16 176.88 3h1h h LYS 34 N 0.25 1.00 0.00 1.82 3.64 0.82 0.80 116.57 124.90 3h1h h LYS 34 Ca 0.08 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3h1h h LYS 34 Cb 0.26 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3h1h h LYS 34 CO -0.00 0.72 -0.75 1.04 -2.27 0.00 0.00 179.45 178.19 3h1h n GLN 35 N -4.51 0.03 0.04 1.90 6.02 0.17 -4.51 117.38 116.53 3h1h n GLN 35 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3h1h n GLN 35 Cb 0.07 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.82 3h1h n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1h n VAL 36 N -1.55 0.43 -0.10 5.09 0.31 0.14 -4.92 118.33 117.72 3h1h n VAL 36 Ca 0.05 0.14 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 3h1h n VAL 36 Cb 0.34 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.27 3h1h n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1h n SER 38 N -4.47 0.00 0.19 0.00 3.41 0.28 0.13 113.62 113.15 3h1h n SER 38 Ca -0.03 0.23 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 3h1h n SER 38 Cb 0.33 -0.23 0.34 0.00 -0.26 0.00 0.00 64.21 64.39 3h1h n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1h h ALA 39 N 1.08 0.99 0.00 7.33 0.00 -1.75 -3.36 119.26 123.55 3h1h h ALA 39 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h1h h ALA 39 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h1h h ALA 39 CO 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.56 3h1h s HIS 41 N -0.33 3.20 0.34 0.00 3.76 0.69 -4.72 115.29 118.24 3h1h s HIS 41 Ca 0.00 -0.06 -0.18 0.00 -0.15 0.00 0.00 55.06 54.68 3h1h s HIS 41 Cb 0.00 -2.20 -0.10 0.00 1.11 0.00 0.00 32.58 31.39 3h1h s HIS 41 CO 0.00 -0.07 0.81 -1.54 -0.85 0.00 0.00 174.74 173.09 3h1h s SER 42 N 1.07 6.88 -0.42 1.40 1.04 -1.26 -4.25 113.70 118.17 3h1h s SER 42 Ca 0.05 1.45 0.10 0.00 0.48 0.00 0.00 55.95 58.03 3h1h s SER 42 Cb -0.14 -2.44 0.32 0.00 0.10 0.00 0.00 66.02 63.86 3h1h s SER 42 CO 0.04 -0.22 0.72 0.80 0.98 0.00 0.00 173.24 175.56 3h1h n MET 43 N -0.28 1.37 -0.32 4.02 0.00 -1.26 -0.16 117.12 120.48 3h1h n MET 43 Ca 0.04 -3.66 0.28 0.00 0.00 0.00 0.00 57.70 54.36 3h1h n MET 43 Cb 0.53 -1.72 0.61 0.00 0.00 0.00 0.00 33.22 32.64 3h1h n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1h h ASP 44 N 3.28 0.27 -0.02 6.12 3.32 -1.94 -2.84 116.42 124.61 3h1h h ASP 44 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h1h h ASP 44 Cb 0.86 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3h1h h ASP 44 CO 0.56 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.90 3h1h n TYR 45 N -4.47 0.01 -4.32 4.55 4.02 -1.26 -4.76 117.16 110.93 3h1h n TYR 45 Ca 0.26 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.82 3h1h n TYR 45 Cb 1.04 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.26 3h1h n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1h s VAL 46 N -1.99 4.01 0.13 -0.72 1.01 -1.07 -5.05 120.40 116.71 3h1h s VAL 46 Ca 0.39 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3h1h s VAL 46 Cb 0.21 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3h1h s VAL 46 CO 0.34 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.61 3h1h s ALA 47 N -1.08 1.86 0.41 5.51 0.00 -1.26 -1.35 121.76 125.84 3h1h s ALA 47 Ca 0.19 -1.36 0.16 0.00 0.00 0.00 0.00 51.96 50.96 3h1h s ALA 47 Cb -0.11 -0.20 1.05 0.00 0.00 0.00 0.00 23.12 23.86 3h1h s ALA 47 CO 0.10 0.27 1.84 0.74 0.00 0.00 0.00 175.76 178.72 3h1h h PHE 48 N 3.64 0.60 -0.48 0.00 -1.00 -1.50 0.12 116.94 118.32 3h1h h PHE 48 Ca -0.44 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.38 3h1h h PHE 48 Cb 1.19 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 3h1h h PHE 48 CO 0.65 0.15 0.32 0.07 -1.61 0.00 0.00 178.31 177.89 3h1h h ARG 49 N 0.45 0.58 -0.73 1.51 0.11 -1.17 -2.09 114.38 113.03 3h1h h ARG 49 Ca 0.49 -0.03 0.21 0.00 0.10 0.00 0.00 59.98 60.74 3h1h h ARG 49 Cb 1.16 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 32.08 3h1h h ARG 49 CO -0.20 0.38 0.57 -0.91 0.10 0.00 0.00 179.97 179.91 3h1h h ASN 50 N 0.59 0.00 0.11 0.08 2.35 -1.03 -0.88 115.58 116.80 3h1h h ASN 50 Ca 0.18 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 3h1h h ASN 50 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3h1h h ASN 50 CO -0.04 0.00 -0.56 -0.07 -1.65 0.00 0.00 177.43 175.10 3h1h h LEU 51 N 0.00 0.53 -9.24 1.61 3.38 -1.50 -3.43 115.31 106.66 3h1h h LEU 51 Ca 0.35 -0.29 -0.65 0.00 0.09 0.00 0.00 57.88 57.38 3h1h h LEU 51 Cb 1.49 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 42.10 3h1h h LEU 51 CO -0.00 0.98 1.03 -0.38 0.09 0.00 0.00 178.44 180.16 3h1h n ILE 52 N -3.94 0.48 -0.87 1.22 5.41 -0.34 -0.32 119.36 121.00 3h1h n ILE 52 Ca -0.03 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3h1h n ILE 52 Cb 0.61 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 3h1h n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1h n GLY 53 N 4.30 0.64 0.95 7.39 0.00 -0.83 -4.83 105.19 112.81 3h1h n GLY 53 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3h1h n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1h n VAL 54 N -2.69 0.00 0.00 1.61 0.31 0.56 -4.96 118.33 113.15 3h1h n VAL 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h1h n VAL 54 Cb 0.00 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3h1h n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1h n THR 55 N -2.78 0.00 -4.33 2.52 -2.24 -0.40 -4.84 114.28 102.20 3h1h n THR 55 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3h1h n THR 55 Cb 0.40 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 3h1h n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1h s HIS 56 N -0.52 1.57 0.40 4.78 4.02 -1.10 -4.89 115.29 119.54 3h1h s HIS 56 Ca 0.00 -1.11 -0.08 0.00 1.02 0.00 0.00 55.06 54.89 3h1h s HIS 56 Cb 0.00 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.58 30.57 3h1h s HIS 56 CO 0.00 -0.25 0.73 0.99 1.02 0.00 0.00 174.74 177.23 3h1h s THR 57 N -3.65 4.86 0.39 1.30 2.01 -1.26 -1.96 115.64 117.32 3h1h s THR 57 Ca 0.35 0.42 0.14 0.00 0.31 0.00 0.00 61.69 62.92 3h1h s THR 57 Cb 0.08 -3.76 0.36 0.00 0.01 0.00 0.00 72.50 69.18 3h1h s THR 57 CO 0.12 -0.55 1.84 -0.08 -0.69 0.00 0.00 174.62 175.26 3h1h h GLU 58 N 1.14 0.50 0.38 4.92 4.81 -1.95 -0.20 114.58 124.17 3h1h h GLU 58 Ca -0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3h1h h GLU 58 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3h1h h GLU 58 CO 0.64 0.33 -0.18 0.00 -0.73 0.00 0.00 179.01 179.07 3h1h h ALA 59 N 1.61 -0.51 -0.66 2.92 0.00 -1.99 -0.92 119.26 119.72 3h1h h ALA 59 Ca 0.50 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.35 3h1h h ALA 59 Cb 1.08 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3h1h h ALA 59 CO -0.23 -0.61 0.19 0.93 0.00 0.00 0.00 179.25 179.53 3h1h h GLU 60 N -0.84 0.32 -0.23 0.00 5.08 -1.71 -0.70 114.58 116.50 3h1h h GLU 60 Ca -0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3h1h h GLU 60 Cb 0.54 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3h1h h GLU 60 CO 0.08 0.21 0.13 0.00 -1.00 0.00 0.00 179.01 178.43 3h1h h ALA 61 N 1.51 0.28 -0.98 3.43 0.00 -1.04 0.14 119.26 122.60 3h1h h ALA 61 Ca 0.35 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.37 3h1h h ALA 61 Cb 0.53 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3h1h h ALA 61 CO -0.41 -0.27 0.63 -0.22 0.00 0.00 0.00 179.25 178.98 3h1h h LYS 62 N 0.27 0.99 0.42 0.00 3.64 0.26 -2.24 116.57 119.91 3h1h h LYS 62 Ca 0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3h1h h LYS 62 Cb 0.01 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3h1h h LYS 62 CO -0.05 0.66 -0.20 0.00 -2.27 0.00 0.00 179.45 177.58 3h1h h ALA 63 N 1.52 -0.57 -1.00 5.00 0.00 -0.27 -2.77 119.26 121.17 3h1h h ALA 63 Ca 0.46 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.48 3h1h h ALA 63 Cb 0.39 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3h1h h ALA 63 CO -0.22 -0.68 0.75 -0.07 0.00 0.00 0.00 179.25 179.03 3h1h h LEU 64 N -0.86 0.00 0.00 0.00 3.38 -0.34 0.83 115.31 118.32 3h1h h LEU 64 Ca -0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 3h1h h LEU 64 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3h1h h LEU 64 CO 0.10 0.00 -1.28 0.00 0.09 0.00 0.00 178.44 177.35 3h1h h ALA 65 N 1.44 0.62 0.00 1.53 0.00 -1.35 -3.26 119.26 118.24 3h1h h ALA 65 Ca 0.48 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3h1h h ALA 65 Cb 1.97 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3h1h h ALA 65 CO -0.01 1.20 0.00 0.39 0.00 0.00 0.00 179.25 180.83 3h1h n GLU 66 N -3.11 0.22 0.02 0.00 1.02 0.25 -2.24 120.64 116.79 3h1h n GLU 66 Ca -0.08 0.37 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 3h1h n GLU 66 Cb 0.92 -1.86 0.38 0.00 -0.02 0.00 0.00 31.44 30.86 3h1h n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h1h n GLU 67 N -2.26 0.03 -4.31 3.49 1.02 -0.96 -4.45 120.64 113.19 3h1h n GLU 67 Ca 0.03 0.24 -0.27 0.00 -0.02 0.00 0.00 57.16 57.13 3h1h n GLU 67 Cb 0.29 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 3h1h n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1h s VAL 68 N -3.04 2.99 -0.09 2.62 1.01 -0.95 -5.03 120.40 117.91 3h1h s VAL 68 Ca 0.08 -1.68 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 3h1h s VAL 68 Cb 0.11 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3h1h s VAL 68 CO 0.32 -0.07 -0.05 -1.61 0.00 0.00 0.00 175.10 173.69 3h1h s GLU 69 N -2.66 2.97 0.44 2.72 0.41 -1.26 -0.62 118.70 120.70 3h1h s GLU 69 Ca 0.23 -0.52 0.06 0.00 -0.41 0.00 0.00 54.97 54.32 3h1h s GLU 69 Cb -0.09 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.53 3h1h s GLU 69 CO 0.13 0.58 0.06 0.14 -0.49 0.00 0.00 175.26 175.68 3h1h s VAL 70 N -0.58 1.85 -0.31 2.63 -7.23 0.93 -4.88 120.40 112.80 3h1h s VAL 70 Ca 0.09 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.28 3h1h s VAL 70 Cb -0.12 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.08 3h1h s VAL 70 CO 0.02 0.00 0.08 -1.58 -0.31 0.00 0.00 175.10 173.31 3h1h s GLN 71 N -3.81 2.83 0.14 4.82 0.74 -1.26 -2.29 119.66 120.82 3h1h s GLN 71 Ca 0.29 -1.03 0.01 0.00 0.05 0.00 0.00 55.36 54.68 3h1h s GLN 71 Cb 0.06 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.79 3h1h s GLN 71 CO 0.16 -0.56 0.06 -3.47 -0.55 0.00 0.00 175.29 170.93 3h1h n ASP 72 N 4.82 1.88 0.00 6.67 4.64 -0.58 -4.96 116.55 129.02 3h1h n ASP 72 Ca -0.14 -1.55 0.00 0.00 -1.38 0.00 0.00 54.79 51.72 3h1h n ASP 72 Cb 0.46 0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3h1h n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1h n GLY 73 N 3.28 0.60 3.87 0.27 0.00 -1.26 -2.54 105.19 109.41 3h1h n GLY 73 Ca -0.03 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 3h1h n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1h s PRO 74 N -0.58 2.04 0.00 1.61 0.04 -1.26 -5.05 135.00 131.80 3h1h s PRO 74 Ca 0.00 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.28 3h1h s PRO 74 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3h1h s PRO 74 CO 0.00 -1.57 0.00 -0.40 0.04 0.00 0.00 177.00 175.07 3h1h n ASP 75 N -3.32 0.00 0.16 6.66 5.68 -0.47 -4.84 116.55 120.42 3h1h n ASP 75 Ca 0.07 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.40 3h1h n ASP 75 Cb 0.60 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.03 3h1h n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1h h GLU 76 N 0.00 0.15 -0.24 0.11 5.08 -2.03 -2.49 114.58 115.16 3h1h h GLU 76 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h1h h GLU 76 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3h1h h GLU 76 CO 0.00 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 3h1h n ASN 77 N -4.33 2.43 -0.04 1.42 3.02 -1.26 -4.93 115.26 111.57 3h1h n ASN 77 Ca -0.01 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.70 3h1h n ASN 77 Cb 0.23 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3h1h n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1h n GLY 78 N 1.29 0.45 3.94 7.41 0.00 -0.94 -5.04 105.19 112.30 3h1h n GLY 78 Ca 0.17 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3h1h n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1h s GLU 79 N -1.53 3.49 0.66 1.61 0.41 -1.26 -4.72 118.70 117.35 3h1h s GLU 79 Ca 0.00 -0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 54.09 3h1h s GLU 79 Cb 0.00 -2.76 0.06 0.00 -1.78 0.00 0.00 34.13 29.65 3h1h s GLU 79 CO 0.00 0.28 0.93 -0.51 -0.49 0.00 0.00 175.26 175.48 3h1h s LEU 80 N -3.98 3.00 0.03 1.80 1.43 -1.26 -1.37 118.68 118.33 3h1h s LEU 80 Ca 0.38 0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 3h1h s LEU 80 Cb -0.10 -2.86 0.10 0.00 0.03 0.00 0.00 46.19 43.36 3h1h s LEU 80 CO 0.32 -1.50 1.04 0.72 0.23 0.00 0.00 176.35 177.16 3h1h s PHE 81 N -3.08 -0.17 0.27 0.29 -0.12 -1.05 -4.91 117.98 109.20 3h1h s PHE 81 Ca 0.60 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 57.50 3h1h s PHE 81 Cb -0.10 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3h1h s PHE 81 CO 0.43 -0.56 0.42 -1.64 -0.05 0.00 0.00 175.22 173.81 3h1h s MET 82 N -2.95 3.46 0.01 1.99 -1.94 -1.26 -1.53 119.30 117.07 3h1h s MET 82 Ca 0.10 -0.60 -0.28 0.00 -1.71 0.00 0.00 55.69 53.21 3h1h s MET 82 Cb 0.00 -2.82 0.09 0.00 2.01 0.00 0.00 34.83 34.11 3h1h s MET 82 CO -0.03 0.35 0.75 -0.98 -0.01 0.00 0.00 175.02 175.09 3h1h s ARG 83 N -4.01 1.01 0.14 2.03 1.70 -0.97 -4.91 118.95 113.94 3h1h s ARG 83 Ca 0.36 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 55.22 3h1h s ARG 83 Cb -0.09 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 3h1h s ARG 83 CO 0.31 -0.38 1.18 -1.25 -1.08 0.00 0.00 175.30 174.08 3h1h s PRO 84 N -2.36 4.49 0.88 3.89 0.04 -1.26 -0.05 135.00 140.62 3h1h s PRO 84 Ca -0.03 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 3h1h s PRO 84 Cb -0.01 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.30 3h1h s PRO 84 CO -0.02 -0.12 0.69 0.41 0.04 0.00 0.00 177.00 177.99 3h1h n GLY 85 N 2.55 -1.30 3.50 0.56 0.00 0.21 -4.85 105.19 105.86 3h1h n GLY 85 Ca 0.06 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3h1h n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h s LYS 86 N -3.70 1.72 0.00 1.61 1.02 -1.26 -3.61 119.74 115.51 3h1h s LYS 86 Ca 0.63 -1.87 0.09 0.00 0.02 0.00 0.00 55.97 54.84 3h1h s LYS 86 Cb -0.26 -1.56 0.38 0.00 -0.52 0.00 0.00 37.83 35.87 3h1h s LYS 86 CO 0.61 0.14 1.25 0.44 -0.92 0.00 0.00 175.35 176.88 3h1h n ILE 87 N -0.71 1.30 1.22 2.17 -5.35 -1.26 -1.15 119.36 115.59 3h1h n ILE 87 Ca -0.05 0.33 0.13 0.00 -0.27 0.00 0.00 62.75 62.89 3h1h n ILE 87 Cb 0.63 -1.18 0.46 0.00 -1.74 0.00 0.00 39.64 37.81 3h1h n ILE 87 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3h1h n SER 88 N -1.46 0.57 -4.87 7.28 3.41 -1.26 -0.67 113.62 116.62 3h1h n SER 88 Ca 0.02 -0.46 -0.31 0.00 -0.26 0.00 0.00 58.87 57.87 3h1h n SER 88 Cb 0.09 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3h1h n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1h s ASP 89 N -2.67 6.58 0.16 4.04 1.01 -0.30 -4.91 116.67 120.58 3h1h s ASP 89 Ca 0.22 1.21 -0.03 0.00 0.71 0.00 0.00 52.55 54.66 3h1h s ASP 89 Cb 0.19 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 3h1h s ASP 89 CO 0.55 -0.39 0.37 -0.31 0.21 0.00 0.00 175.17 175.60 3h1h s TYR 90 N -2.33 3.48 -0.14 4.23 1.51 -1.26 -2.26 117.35 120.58 3h1h s TYR 90 Ca 0.53 0.44 -0.41 0.00 -1.01 0.00 0.00 57.07 56.62 3h1h s TYR 90 Cb -0.10 -1.92 -0.18 0.00 -0.11 0.00 0.00 41.96 39.64 3h1h s TYR 90 CO 0.29 0.42 1.37 1.19 -1.11 0.00 0.00 175.55 177.70 3h1h n PHE 91 N -0.24 1.34 -1.63 2.71 3.72 -0.46 -4.82 117.46 118.07 3h1h n PHE 91 Ca -0.04 0.89 -0.45 0.00 -0.05 0.00 0.00 57.45 57.81 3h1h n PHE 91 Cb 0.53 -2.24 -0.02 0.00 -0.94 0.00 0.00 39.48 36.80 3h1h n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1h n PRO 92 N 2.94 1.68 -2.84 -1.08 -0.02 -1.26 -4.58 135.00 129.85 3h1h n PRO 92 Ca 0.23 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 3h1h n PRO 92 Cb 0.08 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3h1h n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1h s LYS 93 N -1.10 4.58 0.21 -0.52 1.02 -1.26 -4.68 119.74 117.99 3h1h s LYS 93 Ca 0.63 1.27 0.11 0.00 0.02 0.00 0.00 55.97 58.01 3h1h s LYS 93 Cb -0.68 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 3h1h s LYS 93 CO 0.56 0.36 1.38 -1.35 -0.92 0.00 0.00 175.35 175.38 3h1h h PRO 94 N 3.46 0.00 -5.18 -1.68 0.11 -1.87 -3.46 132.00 123.38 3h1h h PRO 94 Ca -0.47 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.24 3h1h h PRO 94 Cb 1.19 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.07 3h1h h PRO 94 CO 0.66 0.73 -0.78 0.71 -0.21 0.00 0.00 178.00 179.11 3h1h s TYR 95 N -2.87 1.11 0.13 0.65 1.51 -1.26 -5.05 117.35 111.57 3h1h s TYR 95 Ca 0.02 -0.41 -0.21 0.00 -1.01 0.00 0.00 57.07 55.47 3h1h s TYR 95 Cb 0.09 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 3h1h s TYR 95 CO 0.78 0.03 1.69 -1.35 -1.11 0.00 0.00 175.55 175.58 3h1h h PRO 96 N 4.63 -0.06 -4.30 -1.71 0.11 -1.96 -3.45 132.00 125.25 3h1h h PRO 96 Ca -0.39 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 3h1h h PRO 96 Cb 1.19 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 3h1h h PRO 96 CO 0.42 -0.04 -0.54 0.54 -0.21 0.00 0.00 178.00 178.17 3h1h s ASN 97 N -5.15 0.19 0.25 -2.05 2.20 -1.26 -5.05 114.94 104.06 3h1h s ASN 97 Ca -0.14 -1.16 -0.05 0.00 -0.94 0.00 0.00 52.86 50.57 3h1h s ASN 97 Cb 0.10 0.37 0.30 0.00 -2.00 0.00 0.00 41.25 40.02 3h1h s ASN 97 CO 0.68 -0.82 1.90 1.55 -2.94 0.00 0.00 177.10 177.48 3h1h h PRO 98 N 2.70 1.21 -0.89 3.55 0.13 -2.00 -2.09 132.00 134.60 3h1h h PRO 98 Ca -0.34 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 64.87 3h1h h PRO 98 Cb 1.22 -0.27 -0.10 0.00 0.13 0.00 0.00 31.00 31.98 3h1h h PRO 98 CO 0.54 0.80 0.49 0.93 -0.23 0.00 0.00 178.00 180.52 3h1h h GLU 99 N 1.24 0.67 -0.25 0.86 3.07 -1.99 0.16 114.58 118.34 3h1h h GLU 99 Ca 0.38 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 3h1h h GLU 99 Cb -0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3h1h h GLU 99 CO -0.11 0.44 -0.44 0.00 -1.40 0.00 0.00 179.01 177.50 3h1h h ALA 100 N 1.57 0.77 0.39 3.43 0.00 -1.81 -2.16 119.26 121.45 3h1h h ALA 100 Ca 0.49 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h1h h ALA 100 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h1h h ALA 100 CO -0.36 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.37 3h1h h ALA 101 N 1.01 -0.52 -0.76 0.00 0.00 -0.49 -2.49 119.26 116.01 3h1h h ALA 101 Ca 0.03 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.91 3h1h h ALA 101 Cb 0.97 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3h1h h ALA 101 CO 0.09 -0.69 0.34 0.00 0.00 0.00 0.00 179.25 178.99 3h1h h ARG 102 N -0.73 0.51 -0.77 0.00 3.08 -0.82 -0.72 114.38 114.93 3h1h h ARG 102 Ca -0.05 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.09 3h1h h ARG 102 Cb 0.51 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3h1h h ARG 102 CO 0.09 0.34 0.51 0.00 -1.07 0.00 0.00 179.97 179.83 3h1h h ALA 103 N 1.52 1.91 -0.02 0.04 0.00 -1.16 0.58 119.26 122.12 3h1h h ALA 103 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3h1h h ALA 103 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h1h h ALA 103 CO -0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 179.25 178.80 3h1h n ALA 104 N -2.47 2.54 -2.03 0.00 0.00 -0.32 -4.19 120.51 114.04 3h1h n ALA 104 Ca 0.14 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.11 3h1h n ALA 104 Cb 0.41 -1.06 0.11 0.00 0.00 0.00 0.00 19.45 18.91 3h1h n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1h n ASN 105 N 0.51 1.34 -2.89 0.00 3.02 -0.63 -5.00 115.26 111.61 3h1h n ASN 105 Ca 0.18 -2.92 -0.13 0.00 -0.03 0.00 0.00 54.58 51.68 3h1h n ASN 105 Cb 0.43 -0.41 0.07 0.00 -0.61 0.00 0.00 39.78 39.26 3h1h n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1h n ASN 106 N -0.32 -2.70 0.00 6.41 3.02 -0.99 -2.81 115.26 117.87 3h1h n ASN 106 Ca 0.12 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3h1h n ASN 106 Cb 0.91 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 3h1h n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1h n GLY 107 N -1.14 0.61 3.86 7.41 0.00 0.19 -4.96 105.19 111.16 3h1h n GLY 107 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3h1h n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s ALA 108 N -2.00 3.32 -0.35 4.61 0.00 -1.13 -4.82 121.76 121.39 3h1h s ALA 108 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3h1h s ALA 108 Cb 0.00 -2.76 0.10 0.00 0.00 0.00 0.00 23.12 20.47 3h1h s ALA 108 CO 0.00 0.15 0.08 -1.17 0.00 0.00 0.00 175.76 174.82 3h1h s LEU 109 N -3.43 4.22 -0.16 0.00 2.96 -1.26 -3.57 118.68 117.43 3h1h s LEU 109 Ca 0.53 -2.16 -0.29 0.00 -0.22 0.00 0.00 54.13 51.99 3h1h s LEU 109 Cb -0.10 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 3h1h s LEU 109 CO 0.24 -0.37 2.16 -0.81 -1.32 0.00 0.00 176.35 176.26 3h1h n PRO 110 N 4.23 2.14 -1.97 0.98 -0.04 -1.26 -4.92 135.00 134.16 3h1h n PRO 110 Ca 0.03 0.65 -0.37 0.00 -0.04 0.00 0.00 63.50 63.77 3h1h n PRO 110 Cb 0.41 -3.15 0.03 0.00 -0.04 0.00 0.00 33.50 30.75 3h1h n PRO 110 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3h1h s PRO 111 N 5.90 3.11 0.32 0.54 0.04 -1.26 -4.68 135.00 138.97 3h1h s PRO 111 Ca 0.98 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 63.68 3h1h s PRO 111 Cb -0.38 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 3h1h s PRO 111 CO 0.37 -1.13 1.51 0.34 0.04 0.00 0.00 177.00 178.13 3h1h s ASP 112 N -1.37 6.44 -0.12 6.66 -1.08 -1.26 -4.45 116.67 121.49 3h1h s ASP 112 Ca 0.74 2.93 0.11 0.00 -0.52 0.00 0.00 52.55 55.81 3h1h s ASP 112 Cb -0.33 -2.65 0.53 0.00 -1.46 0.00 0.00 42.92 39.01 3h1h s ASP 112 CO 0.38 -0.84 1.36 0.18 0.52 0.00 0.00 175.17 176.77 3h1h n LEU 113 N 1.43 3.83 -0.17 -1.34 4.77 0.77 -4.55 117.00 121.74 3h1h n LEU 113 Ca 0.05 -1.94 -0.03 0.00 -0.03 0.00 0.00 56.01 54.06 3h1h n LEU 113 Cb 0.39 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 41.10 3h1h n LEU 113 CO 0.63 0.56 1.02 0.28 -1.33 0.00 0.00 177.39 178.55 3h1h h SER 114 N 2.82 0.85 0.00 -1.43 0.02 -1.90 -3.23 113.55 110.68 3h1h h SER 114 Ca 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3h1h h SER 114 Cb 1.28 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3h1h h SER 114 CO 0.24 0.79 -0.29 -1.22 -1.14 0.00 0.00 176.83 175.22 3h1h n TYR 115 N -4.29 0.00 -0.31 3.45 4.02 -1.26 -2.93 117.16 115.84 3h1h n TYR 115 Ca 0.05 -0.86 0.01 0.00 -0.01 0.00 0.00 57.90 57.09 3h1h n TYR 115 Cb 0.20 -0.15 0.15 0.00 -0.02 0.00 0.00 39.34 39.51 3h1h n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1h h ILE 116 N 2.18 1.03 0.00 -0.72 6.09 -1.80 -0.17 117.51 124.12 3h1h h ILE 116 Ca -0.02 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 3h1h h ILE 116 Cb 1.15 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.43 3h1h h ILE 116 CO 0.01 0.18 0.00 1.33 -3.07 0.00 0.00 178.15 176.59 3h1h n VAL 117 N -4.63 0.64 0.28 2.19 0.24 -1.26 -1.30 118.33 114.50 3h1h n VAL 117 Ca 0.13 0.16 0.03 0.00 -2.04 0.00 0.00 64.34 62.62 3h1h n VAL 117 Cb 0.19 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 31.61 3h1h n VAL 117 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3h1h n ASN 118 N -1.29 0.72 -0.49 -1.34 3.02 -0.24 -3.63 115.26 112.00 3h1h n ASN 118 Ca 0.06 -0.86 0.12 0.00 -0.03 0.00 0.00 54.58 53.87 3h1h n ASN 118 Cb 0.11 0.66 0.14 0.00 -0.61 0.00 0.00 39.78 40.08 3h1h n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1h n ALA 119 N -0.63 3.24 -2.93 5.41 0.00 -0.24 -4.88 120.51 120.48 3h1h n ALA 119 Ca 0.02 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 3h1h n ALA 119 Cb 0.12 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 3h1h n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1h s ARG 120 N -2.39 1.06 0.12 0.00 1.81 -1.04 -5.05 118.95 113.46 3h1h s ARG 120 Ca 0.22 -0.36 -0.31 0.00 -1.72 0.00 0.00 55.73 53.56 3h1h s ARG 120 Cb 0.19 -0.98 -0.10 0.00 -0.45 0.00 0.00 34.95 33.60 3h1h s ARG 120 CO 0.51 0.16 1.86 0.72 -0.68 0.00 0.00 175.30 177.87 3h1h n HIS 121 N 3.18 2.63 0.00 -0.53 8.25 -1.26 -1.61 115.22 125.87 3h1h n HIS 121 Ca -0.17 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3h1h n HIS 121 Cb 0.54 -2.75 0.00 0.00 1.12 0.00 0.00 29.99 28.91 3h1h n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1h n GLY 122 N 4.29 2.58 7.00 -1.41 0.00 -1.26 -4.69 105.19 111.70 3h1h n GLY 122 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h1h n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1h n GLY 123 N -1.27 1.59 0.27 -0.02 0.00 -0.63 -1.45 105.19 103.67 3h1h n GLY 123 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3h1h n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1h h GLU 124 N 0.00 -0.01 -1.05 1.61 9.09 -1.90 0.66 114.58 122.97 3h1h h GLU 124 Ca 0.00 0.00 0.27 0.00 0.05 0.00 0.00 59.36 59.68 3h1h h GLU 124 Cb 0.00 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.01 3h1h h GLU 124 CO 0.00 -0.01 0.67 -0.44 0.05 0.00 0.00 179.01 179.28 3h1h h ASP 125 N -0.01 0.45 0.00 3.06 3.45 -1.57 1.14 116.42 122.94 3h1h h ASP 125 Ca 0.33 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.87 3h1h h ASP 125 Cb 0.51 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3h1h h ASP 125 CO -0.71 0.07 -0.00 0.22 -1.57 0.00 0.00 179.24 177.25 3h1h h TYR 126 N 0.39 -0.01 -0.95 4.55 3.20 0.73 -2.64 116.97 122.24 3h1h h TYR 126 Ca 0.61 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.59 3h1h h TYR 126 Cb 1.54 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.73 3h1h h TYR 126 CO -0.00 0.71 0.58 0.28 -1.64 0.00 0.00 178.16 178.09 3h1h h VAL 127 N -0.99 0.90 -0.24 1.81 2.07 0.05 0.54 116.25 120.39 3h1h h VAL 127 Ca -0.00 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3h1h h VAL 127 Cb 0.72 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3h1h h VAL 127 CO 0.00 0.17 0.04 0.15 0.02 0.00 0.00 177.57 177.95 3h1h h PHE 128 N 0.92 0.42 -0.17 1.57 3.57 0.12 -2.18 116.94 121.19 3h1h h PHE 128 Ca 0.47 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.93 3h1h h PHE 128 Cb 0.47 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3h1h h PHE 128 CO -0.02 0.51 0.05 0.77 -2.23 0.00 0.00 178.31 177.39 3h1h h SER 129 N 0.20 0.05 -0.31 0.41 0.02 -0.93 -2.56 113.55 110.43 3h1h h SER 129 Ca 0.07 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3h1h h SER 129 Cb 0.32 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 3h1h h SER 129 CO 0.00 0.05 -0.11 0.25 -1.14 0.00 0.00 176.83 175.89 3h1h h LEU 130 N 0.13 -0.38 0.72 5.07 5.85 -0.83 0.34 115.31 126.21 3h1h h LEU 130 Ca 0.07 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3h1h h LEU 130 Cb 0.05 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3h1h h LEU 130 CO -0.08 -0.14 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.35 3h1h h LEU 131 N -0.05 -1.14 -0.71 2.25 3.38 -1.20 -3.17 115.31 114.67 3h1h h LEU 131 Ca 0.15 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 3h1h h LEU 131 Cb 0.28 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3h1h h LEU 131 CO -0.34 -0.69 -0.21 0.71 0.09 0.00 0.00 178.44 177.99 3h1h h THR 132 N -1.10 1.27 0.00 0.22 1.35 -1.42 -3.35 112.91 109.88 3h1h h THR 132 Ca -0.10 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3h1h h THR 132 Cb 0.88 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3h1h h THR 132 CO 0.09 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3h1h n GLY 133 N -0.26 -0.09 3.76 5.82 0.00 0.12 -4.90 105.19 109.65 3h1h n GLY 133 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3h1h n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1h s TYR 134 N -1.74 2.59 0.15 1.61 1.51 -1.25 -4.41 117.35 115.81 3h1h s TYR 134 Ca 0.00 1.51 -0.24 0.00 -1.01 0.00 0.00 57.07 57.33 3h1h s TYR 134 Cb 0.00 -3.46 0.08 0.00 -0.11 0.00 0.00 41.96 38.47 3h1h s TYR 134 CO 0.00 -1.95 1.05 0.00 -1.11 0.00 0.00 175.55 173.54 3h1h s ASP 136 N -3.25 6.45 0.43 0.00 1.01 -1.26 -4.44 116.67 115.62 3h1h s ASP 136 Ca 0.19 2.04 -0.24 0.00 0.71 0.00 0.00 52.55 55.24 3h1h s ASP 136 Cb -0.02 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 3h1h s ASP 136 CO 0.03 -0.71 1.23 -2.16 0.21 0.00 0.00 175.17 173.78 3h1h s PRO 137 N -2.86 3.84 0.98 8.23 0.04 -1.26 -5.01 135.00 138.95 3h1h s PRO 137 Ca 0.63 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.52 3h1h s PRO 137 Cb -0.21 -2.58 0.18 0.00 0.04 0.00 0.00 34.50 31.93 3h1h s PRO 137 CO 0.25 -0.54 1.12 -1.25 0.04 0.00 0.00 177.00 176.62 3h1h s PRO 138 N -2.45 0.59 0.34 0.56 0.04 -1.26 -4.89 135.00 127.92 3h1h s PRO 138 Ca 0.60 0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.71 3h1h s PRO 138 Cb -0.34 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 3h1h s PRO 138 CO 0.42 -2.58 1.23 0.00 0.04 0.00 0.00 177.00 176.11 3h1h n ALA 139 N -4.04 0.99 0.00 8.56 0.00 -1.26 -2.10 120.51 122.66 3h1h n ALA 139 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3h1h n ALA 139 Cb 0.58 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3h1h n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1h n GLY 140 N 0.86 2.39 3.58 0.00 0.00 -1.26 -5.01 105.19 105.76 3h1h n GLY 140 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3h1h n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1h s VAL 141 N -2.79 4.60 -0.13 1.61 1.01 -0.89 -5.09 120.40 118.72 3h1h s VAL 141 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3h1h s VAL 141 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3h1h s VAL 141 CO 0.00 0.44 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 3h1h s VAL 142 N 0.60 1.87 -0.18 2.92 -7.23 -1.26 -4.70 120.40 112.42 3h1h s VAL 142 Ca 0.03 -0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 59.15 3h1h s VAL 142 Cb -0.13 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3h1h s VAL 142 CO 0.02 0.51 0.52 -0.69 -0.31 0.00 0.00 175.10 175.14 3h1h s VAL 143 N 0.91 5.12 0.69 1.32 1.01 -1.26 -5.05 120.40 123.14 3h1h s VAL 143 Ca -0.06 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 3h1h s VAL 143 Cb -0.15 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3h1h s VAL 143 CO -0.03 0.20 1.19 0.00 0.00 0.00 0.00 175.10 176.47 3h1h s ARG 144 N 1.46 2.40 -0.12 2.72 1.70 -1.26 -4.87 118.95 120.97 3h1h s ARG 144 Ca 0.25 1.71 -0.38 0.00 -0.47 0.00 0.00 55.73 56.83 3h1h s ARG 144 Cb -0.15 -1.87 -0.15 0.00 -0.57 0.00 0.00 34.95 32.20 3h1h s ARG 144 CO 0.10 -1.62 1.64 -1.91 -1.08 0.00 0.00 175.30 172.43 3h1h n GLU 145 N -2.47 1.37 0.00 3.89 2.13 -1.26 -1.92 120.64 122.38 3h1h n GLU 145 Ca 0.13 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3h1h n GLU 145 Cb 0.50 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3h1h n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1h n GLY 146 N 3.71 2.49 3.97 8.31 0.00 -1.26 -5.08 105.19 117.33 3h1h n GLY 146 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 3h1h n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1h s LEU 147 N 0.00 3.85 0.05 0.99 1.43 -0.81 -4.83 118.68 119.36 3h1h s LEU 147 Ca 0.00 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3h1h s LEU 147 Cb 0.00 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3h1h s LEU 147 CO 0.00 -0.49 -0.18 -1.00 0.23 0.00 0.00 176.35 174.91 3h1h s HIS 148 N -2.23 1.61 0.07 0.29 3.76 -0.09 -4.83 115.29 113.87 3h1h s HIS 148 Ca 0.46 -0.37 -0.28 0.00 -0.15 0.00 0.00 55.06 54.72 3h1h s HIS 148 Cb -0.09 -0.95 -0.05 0.00 1.11 0.00 0.00 32.58 32.60 3h1h s HIS 148 CO 0.31 0.08 0.90 -0.47 -0.85 0.00 0.00 174.74 174.71 3h1h s TYR 149 N -0.85 3.76 -0.15 1.40 5.04 -1.26 -1.17 117.35 124.13 3h1h s TYR 149 Ca 0.05 1.68 -0.04 0.00 -2.44 0.00 0.00 57.07 56.32 3h1h s TYR 149 Cb -0.09 -2.99 0.07 0.00 0.35 0.00 0.00 41.96 39.31 3h1h s TYR 149 CO 0.02 0.19 0.25 1.21 -1.34 0.00 0.00 175.55 175.88 3h1h s ASN 150 N 0.14 0.66 0.50 4.32 3.84 0.13 -3.15 114.94 121.38 3h1h s ASN 150 Ca 0.45 0.33 0.28 0.00 0.21 0.00 0.00 52.86 54.13 3h1h s ASN 150 Cb -0.22 0.60 1.24 0.00 -0.55 0.00 0.00 41.25 42.32 3h1h s ASN 150 CO 0.27 -0.27 1.95 1.55 -2.79 0.00 0.00 177.10 177.82 3h1h h PRO 151 N 8.30 0.00 0.00 0.43 0.13 -1.79 -2.98 132.00 136.08 3h1h h PRO 151 Ca -0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 3h1h h PRO 151 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h1h h PRO 151 CO 0.18 0.13 -0.16 1.88 -0.23 0.00 0.00 178.00 179.80 3h1h h TYR 152 N 0.00 0.00 -3.36 1.56 0.05 -1.87 -3.39 116.97 109.96 3h1h h TYR 152 Ca -0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 3h1h h TYR 152 Cb 0.55 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.23 3h1h h TYR 152 CO 0.00 0.16 0.05 0.12 -1.05 0.00 0.00 178.16 177.44 3h1h s PHE 153 N -3.28 3.53 0.12 4.88 5.36 -1.13 -4.86 117.98 122.60 3h1h s PHE 153 Ca 0.04 1.13 -0.36 0.00 -0.96 0.00 0.00 56.93 56.79 3h1h s PHE 153 Cb 0.07 -2.76 -0.16 0.00 -0.34 0.00 0.00 43.02 39.84 3h1h s PHE 153 CO 0.67 0.06 1.40 -0.35 -1.46 0.00 0.00 175.22 175.54 3h1h n PRO 154 N 3.95 1.47 0.00 10.12 -0.04 -1.26 0.87 135.00 150.11 3h1h n PRO 154 Ca -0.02 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 3h1h n PRO 154 Cb 0.51 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3h1h n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1h n GLY 155 N 2.76 3.23 4.07 0.55 0.00 -1.26 -4.44 105.19 110.10 3h1h n GLY 155 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h1h n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1h n GLN 156 N -2.00 0.00 -3.56 1.61 3.00 0.25 -4.93 117.38 111.74 3h1h n GLN 156 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3h1h n GLN 156 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 30.24 27.21 3h1h n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1h s ALA 157 N -1.92 3.35 -0.07 -1.58 0.00 -1.26 0.21 121.76 120.49 3h1h s ALA 157 Ca 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 51.96 49.73 3h1h s ALA 157 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3h1h s ALA 157 CO 0.00 -1.71 -0.00 -1.50 0.00 0.00 0.00 175.76 172.54 3h1h s ILE 158 N 1.44 4.24 -1.22 0.00 2.07 -0.31 -4.85 121.20 122.57 3h1h s ILE 158 Ca 0.04 -0.32 0.22 0.00 -1.41 0.00 0.00 60.65 59.17 3h1h s ILE 158 Cb -0.24 -2.80 0.28 0.00 0.13 0.00 0.00 42.46 39.84 3h1h s ILE 158 CO 0.02 0.57 1.71 0.61 -1.91 0.00 0.00 174.94 175.93 3h1h n GLY 159 N 2.02 -1.13 3.62 1.50 0.00 -1.26 -0.92 105.19 109.03 3h1h n GLY 159 Ca -0.18 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3h1h n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1h s MET 160 N -2.78 4.05 0.27 1.61 0.00 -1.26 -4.87 119.30 116.32 3h1h s MET 160 Ca 0.16 0.03 -0.29 0.00 0.00 0.00 0.00 55.69 55.59 3h1h s MET 160 Cb 0.14 -3.62 -0.09 0.00 0.00 0.00 0.00 34.83 31.26 3h1h s MET 160 CO 0.37 -0.19 1.04 0.00 0.00 0.00 0.00 175.02 176.24 3h1h s ALA 161 N 1.79 3.37 -0.33 4.11 0.00 -1.26 -4.77 121.76 124.66 3h1h s ALA 161 Ca 0.15 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 3h1h s ALA 161 Cb -0.15 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 3h1h s ALA 161 CO 0.09 -0.04 1.21 -2.30 0.00 0.00 0.00 175.76 174.72 3h1h n PRO 162 N 1.21 0.00 0.12 0.00 -0.02 -1.26 -4.80 135.00 130.24 3h1h n PRO 162 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.53 3h1h n PRO 162 Cb 0.46 -1.00 0.02 0.00 -0.02 0.00 0.00 33.50 32.95 3h1h n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1h h PRO 163 N 4.38 0.00 -5.78 0.52 0.13 -1.89 -3.46 132.00 125.89 3h1h h PRO 163 Ca -0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.36 3h1h h PRO 163 Cb 0.93 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.77 3h1h h PRO 163 CO 0.68 0.22 -0.84 0.96 -0.23 0.00 0.00 178.00 178.80 3h1h s ILE 164 N -3.10 1.46 0.02 -3.56 -4.36 -1.26 -5.01 121.20 105.39 3h1h s ILE 164 Ca 0.01 -0.80 -0.00 0.00 -0.26 0.00 0.00 60.65 59.60 3h1h s ILE 164 Cb 0.08 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 3h1h s ILE 164 CO 0.76 0.41 -0.02 -0.72 0.24 0.00 0.00 174.94 175.61 3h1h s TYR 165 N -0.44 0.22 0.21 1.37 1.13 -1.26 -4.95 117.35 113.63 3h1h s TYR 165 Ca 0.07 -0.46 -0.16 0.00 -1.41 0.00 0.00 57.07 55.12 3h1h s TYR 165 Cb -0.07 -0.16 -0.11 0.00 -1.10 0.00 0.00 41.96 40.52 3h1h s TYR 165 CO -0.01 -0.18 0.17 0.09 -2.51 0.00 0.00 175.55 173.12 3h1h n ASN 166 N 1.73 -1.46 -1.78 -0.18 3.02 -1.26 -0.45 115.26 114.88 3h1h n ASN 166 Ca -0.23 0.62 -0.05 0.00 -0.03 0.00 0.00 54.58 54.89 3h1h n ASN 166 Cb 0.55 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 3h1h n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1h n GLU 167 N 0.79 -1.84 0.00 3.52 1.02 0.19 -4.74 120.64 119.58 3h1h n GLU 167 Ca 0.09 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.57 3h1h n GLU 167 Cb 0.22 -4.60 0.19 0.00 -0.02 0.00 0.00 31.44 27.23 3h1h n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1h n ILE 168 N -2.08 1.36 -3.77 -3.67 3.06 0.41 -4.73 119.36 109.93 3h1h n ILE 168 Ca -0.06 0.34 -0.05 0.00 -2.50 0.00 0.00 62.75 60.48 3h1h n ILE 168 Cb 0.35 -1.19 -0.02 0.00 0.54 0.00 0.00 39.64 39.33 3h1h n ILE 168 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 3h1h s LEU 169 N -2.97 -0.24 -0.19 9.51 2.34 -1.26 -5.03 118.68 120.84 3h1h s LEU 169 Ca 0.05 -0.44 0.01 0.00 0.06 0.00 0.00 54.13 53.80 3h1h s LEU 169 Cb 0.06 2.38 0.04 0.00 -0.56 0.00 0.00 46.19 48.11 3h1h s LEU 169 CO 0.16 -1.06 -0.12 -1.61 -1.06 0.00 0.00 176.35 172.66 3h1h s GLU 170 N -3.53 2.24 0.03 1.48 2.02 -1.26 -4.77 118.70 114.90 3h1h s GLU 170 Ca 0.11 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3h1h s GLU 170 Cb -0.03 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.69 3h1h s GLU 170 CO 0.03 -0.38 1.68 0.71 0.02 0.00 0.00 175.26 177.32 3h1h s TYR 171 N 1.36 2.18 -2.00 1.61 4.12 -1.26 -4.81 117.35 118.55 3h1h s TYR 171 Ca -0.00 0.22 0.13 0.00 0.02 0.00 0.00 57.07 57.43 3h1h s TYR 171 Cb -0.16 -3.97 0.75 0.00 -1.52 0.00 0.00 41.96 37.07 3h1h s TYR 171 CO -0.09 -3.99 1.21 -0.40 0.02 0.00 0.00 175.55 172.30 3h1h n ASP 172 N 6.26 0.00 -0.62 2.29 5.68 -1.26 -1.78 116.55 127.13 3h1h n ASP 172 Ca 0.17 -0.80 0.12 0.00 -0.50 0.00 0.00 54.79 53.77 3h1h n ASP 172 Cb 0.41 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.52 3h1h n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1h n ASP 173 N -0.83 2.19 -0.57 -1.12 5.75 -1.26 -4.96 116.55 115.75 3h1h n ASP 173 Ca 0.09 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3h1h n ASP 173 Cb 0.04 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3h1h n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1h n GLY 174 N 1.36 0.75 3.44 6.12 0.00 -0.73 -5.07 105.19 111.06 3h1h n GLY 174 Ca 0.12 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3h1h n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1h s THR 175 N -2.71 3.51 -0.69 2.61 2.01 -1.25 -5.03 115.64 114.08 3h1h s THR 175 Ca 0.00 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 3h1h s THR 175 Cb 0.00 -2.51 -0.13 0.00 0.01 0.00 0.00 72.50 69.86 3h1h s THR 175 CO 0.00 0.51 2.49 -2.65 -0.69 0.00 0.00 174.62 174.27 3h1h n PRO 176 N 3.55 0.64 -0.55 4.92 -0.02 -1.26 -4.35 135.00 137.93 3h1h n PRO 176 Ca -0.18 -0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.06 3h1h n PRO 176 Cb 0.53 -2.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3h1h n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1h n ALA 177 N 14.16 3.78 -1.79 3.55 0.00 -1.26 -4.80 120.51 134.16 3h1h n ALA 177 Ca 0.48 -1.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.15 3h1h n ALA 177 Cb 0.37 -2.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 3h1h n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1h s THR 178 N 3.48 3.68 0.30 0.00 -4.23 -1.26 -0.64 115.64 116.98 3h1h s THR 178 Ca 0.30 1.20 0.06 0.00 -1.18 0.00 0.00 61.69 62.08 3h1h s THR 178 Cb 0.09 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.66 3h1h s THR 178 CO -0.02 -0.08 1.67 -0.03 -0.54 0.00 0.00 174.62 175.63 3h1h h MET 179 N 2.14 0.32 -0.30 3.99 1.85 -1.90 0.15 114.93 121.19 3h1h h MET 179 Ca -0.49 -0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 58.44 3h1h h MET 179 Cb 1.22 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.17 3h1h h MET 179 CO 0.61 0.21 -0.40 0.66 -0.40 0.00 0.00 176.91 177.59 3h1h h SER 180 N 0.33 0.77 -0.21 1.39 4.64 -1.96 -2.12 113.55 116.38 3h1h h SER 180 Ca 0.61 -0.35 0.04 0.00 -0.47 0.00 0.00 61.79 61.62 3h1h h SER 180 Cb 1.25 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 3h1h h SER 180 CO -0.59 1.08 -0.04 -0.61 -0.87 0.00 0.00 176.83 175.80 3h1h h GLN 181 N 0.59 0.02 0.01 4.77 5.75 -1.04 -0.01 115.11 125.20 3h1h h GLN 181 Ca 0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3h1h h GLN 181 Cb 0.95 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 3h1h h GLN 181 CO 0.09 0.01 -0.04 0.82 -2.65 0.00 0.00 178.83 177.06 3h1h h ILE 182 N 0.02 0.00 -0.94 2.39 2.04 -1.12 0.03 117.51 119.93 3h1h h ILE 182 Ca 0.10 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.19 3h1h h ILE 182 Cb 0.15 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.05 3h1h h ILE 182 CO -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.90 3h1h h ALA 183 N -1.53 0.95 0.58 1.87 0.00 -1.23 0.12 119.26 120.01 3h1h h ALA 183 Ca -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3h1h h ALA 183 Cb 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h1h h ALA 183 CO -0.02 -0.49 -0.48 -0.22 0.00 0.00 0.00 179.25 178.05 3h1h h LYS 184 N 0.03 -0.99 -0.30 0.00 3.11 -0.60 0.19 116.57 118.00 3h1h h LYS 184 Ca 0.52 0.07 0.05 0.00 -2.81 0.00 0.00 60.65 58.49 3h1h h LYS 184 Cb 0.98 0.23 -0.05 0.00 -1.00 0.00 0.00 32.23 32.39 3h1h h LYS 184 CO -0.89 -0.66 -0.03 -0.44 -2.81 0.00 0.00 179.45 174.62 3h1h h ASP 185 N -1.03 -0.17 -0.93 4.20 3.32 0.11 -0.82 116.42 121.09 3h1h h ASP 185 Ca -0.07 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3h1h h ASP 185 Cb 0.87 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 3h1h h ASP 185 CO -0.01 -0.05 0.56 1.62 -1.72 0.00 0.00 179.24 179.64 3h1h h VAL 186 N 0.06 1.26 -0.64 -1.35 3.04 -0.88 0.15 116.25 117.88 3h1h h VAL 186 Ca 0.14 -0.56 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 3h1h h VAL 186 Cb 0.20 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.39 3h1h h VAL 186 CO -0.26 0.27 0.33 0.00 -1.01 0.00 0.00 177.57 176.90 3h1h h THR 188 N 0.88 1.15 -0.57 0.00 2.02 0.04 -1.70 112.91 114.73 3h1h h THR 188 Ca 0.22 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3h1h h THR 188 Cb 0.07 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 3h1h h THR 188 CO -0.03 0.21 0.16 0.15 0.37 0.00 0.00 175.52 176.38 3h1h h PHE 189 N 1.14 0.92 -0.39 3.16 3.57 0.32 -2.81 116.94 122.86 3h1h h PHE 189 Ca 0.36 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3h1h h PHE 189 Cb 0.01 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3h1h h PHE 189 CO -0.01 0.78 0.26 -0.07 -2.23 0.00 0.00 178.31 177.04 3h1h h LEU 190 N 0.80 0.40 0.23 0.59 3.38 0.07 0.69 115.31 121.46 3h1h h LEU 190 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h1h h LEU 190 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h1h h LEU 190 CO -0.00 0.28 -0.11 -0.09 0.09 0.00 0.00 178.44 178.61 3h1h h ARG 191 N 0.46 -0.30 -0.45 1.13 9.65 -1.13 -1.24 114.38 122.50 3h1h h ARG 191 Ca 0.15 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 3h1h h ARG 191 Cb 0.04 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3h1h h ARG 191 CO -0.03 -0.12 0.22 2.35 2.80 0.00 0.00 179.97 185.19 3h1h h TRP 192 N -0.41 0.40 -0.65 2.20 7.01 -1.09 -1.96 115.95 121.44 3h1h h TRP 192 Ca -0.03 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.01 3h1h h TRP 192 Cb 0.31 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 3h1h h TRP 192 CO -0.03 0.20 0.43 0.00 -2.79 0.00 0.00 178.44 176.25 3h1h h ALA 193 N 1.25 1.58 0.00 2.65 0.00 -0.73 -1.46 119.26 122.56 3h1h h ALA 193 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3h1h h ALA 193 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h1h h ALA 193 CO -0.15 0.37 -0.24 0.00 0.00 0.00 0.00 179.25 179.23 3h1h h ALA 194 N 1.60 1.11 -0.52 0.00 0.00 -0.49 -3.42 119.26 117.54 3h1h h ALA 194 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h1h h ALA 194 Cb -0.02 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.56 3h1h h ALA 194 CO -0.06 0.30 -0.26 -1.83 0.00 0.00 0.00 179.25 177.40 3h1h s GLU 195 N -3.83 0.49 0.58 0.00 -1.05 -0.60 -4.93 118.70 109.38 3h1h s GLU 195 Ca -0.01 -0.33 0.28 0.00 -0.15 0.00 0.00 54.97 54.76 3h1h s GLU 195 Cb 0.11 0.02 1.57 0.00 -0.44 0.00 0.00 34.13 35.39 3h1h s GLU 195 CO 0.64 -0.66 2.03 -1.35 0.95 0.00 0.00 175.26 176.86 3h1h h PRO 196 N 5.34 0.00 0.00 -4.83 0.11 -1.67 -0.21 132.00 130.74 3h1h h PRO 196 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3h1h h PRO 196 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h1h h PRO 196 CO -0.03 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.91 3h1h n GLU 197 N -3.81 0.18 -0.02 1.05 0.00 -1.26 -4.25 120.64 112.52 3h1h n GLU 197 Ca 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 57.16 57.61 3h1h n GLU 197 Cb 0.45 -1.85 -0.00 0.00 0.00 0.00 0.00 31.44 30.04 3h1h n GLU 197 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3h1h n HIS 198 N -2.19 -0.02 0.11 -1.84 -0.00 -0.09 0.48 115.22 111.67 3h1h n HIS 198 Ca 0.02 0.06 -0.13 0.00 0.46 0.00 0.00 57.72 58.13 3h1h n HIS 198 Cb 0.22 -0.23 -0.07 0.00 -0.12 0.00 0.00 29.99 29.79 3h1h n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1h h ASP 199 N 0.00 -0.17 -0.95 0.26 5.19 -1.86 -1.84 116.42 117.05 3h1h h ASP 199 Ca 0.01 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.46 3h1h h ASP 199 Cb 0.02 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.52 3h1h h ASP 199 CO -0.04 -0.12 0.62 -0.61 -3.12 0.00 0.00 179.24 175.98 3h1h h GLN 200 N -0.20 1.15 -0.49 3.56 4.15 -1.30 0.46 115.11 122.44 3h1h h GLN 200 Ca -0.02 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.34 3h1h h GLN 200 Cb 0.15 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3h1h h GLN 200 CO 0.03 0.76 0.32 -0.09 -1.93 0.00 0.00 178.83 177.93 3h1h h ARG 201 N 1.19 0.63 -0.32 1.69 2.43 0.24 -0.70 114.38 119.54 3h1h h ARG 201 Ca 0.38 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.34 3h1h h ARG 201 Cb 0.03 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3h1h h ARG 201 CO -0.12 0.42 -0.47 0.87 -1.51 0.00 0.00 179.97 179.16 3h1h h LYS 202 N 0.65 0.85 -0.70 0.20 1.57 -0.57 -1.64 116.57 116.94 3h1h h LYS 202 Ca 0.18 -0.49 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3h1h h LYS 202 Cb -0.06 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3h1h h LYS 202 CO -0.05 1.13 0.46 -0.09 -0.57 0.00 0.00 179.45 180.33 3h1h h ARG 203 N 0.68 0.83 -0.27 3.15 2.43 -0.63 -1.54 114.38 119.03 3h1h h ARG 203 Ca 0.04 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3h1h h ARG 203 Cb 1.06 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3h1h h ARG 203 CO 0.11 0.55 -0.08 0.52 -1.51 0.00 0.00 179.97 179.55 3h1h h MET 204 N 0.85 0.53 -1.00 0.20 2.86 -0.85 -2.94 114.93 114.57 3h1h h MET 204 Ca 0.27 -0.21 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 3h1h h MET 204 Cb 0.04 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.57 3h1h h MET 204 CO -0.08 0.75 0.62 0.78 1.06 0.00 0.00 176.91 180.04 3h1h h GLY 205 N 0.28 1.75 0.80 8.32 0.00 -0.33 0.34 103.07 114.23 3h1h h GLY 205 Ca 0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3h1h h GLY 205 CO 0.03 -0.04 -0.47 -2.00 0.00 0.00 0.00 176.54 174.06 3h1h h LEU 206 N 0.78 -1.18 -0.56 3.11 5.85 -1.23 -0.58 115.31 121.49 3h1h h LEU 206 Ca 0.57 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.46 3h1h h LEU 206 Cb 0.87 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 3h1h h LEU 206 CO -0.36 -0.74 -0.01 0.11 -0.34 0.00 0.00 178.44 177.10 3h1h h LYS 207 N -1.19 0.11 -0.44 1.25 1.57 -1.08 -1.34 116.57 115.45 3h1h h LYS 207 Ca -0.11 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3h1h h LYS 207 Cb 0.94 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 3h1h h LYS 207 CO 0.12 0.07 -0.04 1.98 -0.57 0.00 0.00 179.45 181.01 3h1h h MET 208 N 0.11 0.06 0.50 3.15 4.05 -0.11 -0.66 114.93 122.03 3h1h h MET 208 Ca 0.29 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 3h1h h MET 208 Cb 0.45 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3h1h h MET 208 CO -0.48 0.04 -0.24 -0.07 0.23 0.00 0.00 176.91 176.40 3h1h h LEU 209 N 0.07 -0.57 -0.18 3.39 3.38 -0.00 0.26 115.31 121.65 3h1h h LEU 209 Ca 0.22 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3h1h h LEU 209 Cb 0.33 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3h1h h LEU 209 CO -0.40 -0.38 -0.42 -0.07 0.09 0.00 0.00 178.44 177.26 3h1h h LEU 210 N -0.71 -1.32 -0.06 1.67 3.38 -1.17 0.72 115.31 117.82 3h1h h LEU 210 Ca -0.07 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3h1h h LEU 210 Cb 0.53 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3h1h h LEU 210 CO 0.11 -0.41 -0.06 0.40 0.09 0.00 0.00 178.44 178.57 3h1h h ILE 211 N -0.46 0.83 -0.36 1.22 1.08 -1.11 -1.08 117.51 117.64 3h1h h ILE 211 Ca 0.09 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 3h1h h ILE 211 Cb 0.61 0.83 -0.09 0.00 -3.07 0.00 0.00 36.82 35.11 3h1h h ILE 211 CO -0.43 0.00 -0.29 -1.28 -0.69 0.00 0.00 178.15 175.46 3h1h h SER 212 N -0.07 -0.96 -0.88 1.72 0.87 0.66 0.70 113.55 115.59 3h1h h SER 212 Ca 0.05 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3h1h h SER 212 Cb 0.14 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 3h1h h SER 212 CO -0.10 -0.30 0.58 0.00 -0.53 0.00 0.00 176.83 176.47 3h1h h ALA 213 N 0.81 1.12 0.27 6.23 0.00 0.65 0.73 119.26 129.06 3h1h h ALA 213 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h1h h ALA 213 Cb 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h1h h ALA 213 CO -0.49 0.51 -0.13 1.25 0.00 0.00 0.00 179.25 180.39 3h1h h LEU 214 N 1.19 -0.31 -0.88 0.00 5.85 0.15 -2.62 115.31 118.69 3h1h h LEU 214 Ca 0.33 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3h1h h LEU 214 Cb -0.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3h1h h LEU 214 CO -0.07 0.01 0.55 0.25 -0.34 0.00 0.00 178.44 178.83 3h1h h LEU 215 N -0.64 1.04 0.61 2.25 5.85 0.52 -1.91 115.31 123.03 3h1h h LEU 215 Ca -0.04 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3h1h h LEU 215 Cb 0.46 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.23 3h1h h LEU 215 CO 0.06 0.79 -0.29 0.74 -0.34 0.00 0.00 178.44 179.40 3h1h h THR 216 N 1.21 0.40 -0.44 1.05 2.02 -0.88 -1.27 112.91 114.99 3h1h h THR 216 Ca 0.32 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.55 3h1h h THR 216 Cb -0.08 0.41 -0.10 0.00 -1.74 0.00 0.00 68.15 66.65 3h1h h THR 216 CO -0.06 0.01 -0.28 0.28 0.37 0.00 0.00 175.52 175.84 3h1h h SER 217 N -0.84 -0.94 -0.09 4.18 0.02 -1.33 0.17 113.55 114.73 3h1h h SER 217 Ca -0.08 0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3h1h h SER 217 Cb 0.63 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 3h1h h SER 217 CO 0.14 -0.29 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.17 3h1h h LEU 218 N -0.19 -0.91 -2.27 5.07 3.38 -1.19 -0.62 115.31 118.58 3h1h h LEU 218 Ca 0.20 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3h1h h LEU 218 Cb 0.51 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3h1h h LEU 218 CO -0.55 -0.35 -0.03 -0.07 0.09 0.00 0.00 178.44 177.53 3h1h h LEU 219 N -0.39 0.00 -0.15 1.67 3.38 -0.18 -1.44 115.31 118.19 3h1h h LEU 219 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3h1h h LEU 219 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3h1h h LEU 219 CO -0.31 0.03 -0.20 0.22 0.09 0.00 0.00 178.44 178.27 3h1h h TYR 220 N 0.00 0.49 -0.53 1.13 5.03 0.82 -1.15 116.97 122.76 3h1h h TYR 220 Ca -0.00 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.16 3h1h h TYR 220 Cb 0.23 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 3h1h h TYR 220 CO 0.00 0.82 0.34 -0.92 -1.32 0.00 0.00 178.16 177.08 3h1h h TYR 221 N 0.02 0.64 -0.54 -3.82 3.20 -0.69 0.08 116.97 115.86 3h1h h TYR 221 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3h1h h TYR 221 Cb 0.76 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3h1h h TYR 221 CO 0.09 0.39 0.25 0.52 -1.64 0.00 0.00 178.16 177.77 3h1h h MET 222 N 0.68 0.79 -0.29 1.82 2.86 -1.28 0.37 114.93 119.88 3h1h h MET 222 Ca 0.20 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3h1h h MET 222 Cb -0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3h1h h MET 222 CO -0.06 0.66 0.14 -0.22 1.06 0.00 0.00 176.91 178.49 3h1h h LYS 223 N 0.73 0.42 -0.25 1.72 3.11 -0.84 -1.86 116.57 119.60 3h1h h LYS 223 Ca 0.19 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 3h1h h LYS 223 Cb 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 3h1h h LYS 223 CO -0.02 0.40 0.09 0.00 -2.81 0.00 0.00 179.45 177.10 3h1h h ARG 224 N 0.34 0.39 -0.54 1.90 2.47 -0.74 -1.68 114.38 116.52 3h1h h ARG 224 Ca 0.10 -0.08 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 3h1h h ARG 224 Cb 0.12 -0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.30 3h1h h ARG 224 CO -0.01 0.46 0.08 1.25 0.56 0.00 0.00 179.97 182.30 3h1h h HIS 225 N 0.25 0.11 0.22 3.04 2.76 -0.06 0.45 115.15 121.92 3h1h h HIS 225 Ca 0.08 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3h1h h HIS 225 Cb 0.22 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3h1h h HIS 225 CO 0.00 -0.06 -0.11 0.87 -1.30 0.00 0.00 177.93 177.34 3h1h h LYS 226 N 0.20 -0.29 -0.39 5.26 1.79 -1.27 -3.22 116.57 118.66 3h1h h LYS 226 Ca 0.28 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.84 3h1h h LYS 226 Cb 0.41 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 3h1h h LYS 226 CO -0.39 0.04 0.27 -1.49 -1.08 0.00 0.00 179.45 176.80 3h1h h TRP 227 N -0.66 0.23 -0.74 -1.35 4.06 -0.77 -3.02 115.95 113.70 3h1h h TRP 227 Ca -0.03 0.01 0.25 0.00 2.06 0.00 0.00 58.89 61.17 3h1h h TRP 227 Cb 0.46 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 28.41 3h1h h TRP 227 CO 0.03 0.12 0.17 -1.13 -3.56 0.00 0.00 178.44 174.08 3h1h n SER 228 N -4.47 0.06 -0.35 -3.49 3.41 0.15 0.97 113.62 109.91 3h1h n SER 228 Ca 0.05 1.25 0.25 0.00 -0.26 0.00 0.00 58.87 60.17 3h1h n SER 228 Cb 0.30 -0.52 0.53 0.00 -0.26 0.00 0.00 64.21 64.25 3h1h n SER 228 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3h1h h VAL 229 N 0.00 0.44 0.00 -3.33 2.07 -1.75 -2.06 116.25 111.62 3h1h h VAL 229 Ca 0.53 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 67.68 3h1h h VAL 229 Cb 1.24 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3h1h h VAL 229 CO -0.65 0.06 -1.37 0.18 0.02 0.00 0.00 177.57 175.81 3h1h n LEU 230 N -4.68 1.87 -0.33 2.57 4.77 0.27 -3.59 117.00 117.88 3h1h n LEU 230 Ca 0.28 0.42 0.24 0.00 -0.03 0.00 0.00 56.01 56.92 3h1h n LEU 230 Cb 0.98 -0.94 0.48 0.00 -2.33 0.00 0.00 43.42 41.60 3h1h n LEU 230 CO 0.23 0.27 1.10 0.11 -1.33 0.00 0.00 177.39 177.77 3h1h h LYS 231 N -1.00 0.28 0.00 3.23 1.79 -0.86 -0.70 116.57 119.31 3h1h h LYS 231 Ca -0.37 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3h1h h LYS 231 Cb 1.30 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3h1h h LYS 231 CO -0.22 0.19 -1.25 -1.13 -1.08 0.00 0.00 179.45 175.95 3h1h n SER 232 N -5.08 0.55 -4.43 0.86 3.41 -0.82 -4.99 113.62 103.12 3h1h n SER 232 Ca 0.32 -0.28 -0.51 0.00 -0.26 0.00 0.00 58.87 58.14 3h1h n SER 232 Cb 1.00 1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 66.01 3h1h n SER 232 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1h n ARG 233 N -1.98 0.01 -4.81 4.33 0.63 -0.27 -4.98 116.66 109.58 3h1h n ARG 233 Ca 0.01 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 3h1h n ARG 233 Cb 0.45 -1.14 -0.15 0.00 0.45 0.00 0.00 32.46 32.08 3h1h n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1h s LYS 234 N -0.74 1.46 0.32 -0.14 1.02 -1.26 -5.05 119.74 115.34 3h1h s LYS 234 Ca 0.71 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.98 3h1h s LYS 234 Cb -1.02 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 3h1h s LYS 234 CO 0.56 0.39 0.09 0.00 -0.92 0.00 0.00 175.35 175.47 3h1h s MET 235 N -0.67 1.62 0.03 1.68 0.23 -1.26 -5.16 119.30 115.77 3h1h s MET 235 Ca 0.07 -1.91 -0.27 0.00 -1.03 0.00 0.00 55.69 52.55 3h1h s MET 235 Cb -0.08 -0.59 0.07 0.00 -1.53 0.00 0.00 34.83 32.70 3h1h s MET 235 CO 0.00 -0.28 0.63 0.00 -2.03 0.00 0.00 175.02 173.33 3h1h s ALA 236 N -3.44 -1.64 -0.32 3.16 0.00 -1.26 -5.14 121.76 113.12 3h1h s ALA 236 Ca 0.35 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 3h1h s ALA 236 Cb 0.07 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3h1h s ALA 236 CO 0.15 -0.52 0.11 -0.47 0.00 0.00 0.00 175.76 175.03 3h1h s TYR 237 N -2.21 3.19 -0.61 0.00 5.04 -1.26 -5.03 117.35 116.46 3h1h s TYR 237 Ca -0.06 -1.05 0.05 0.00 -2.44 0.00 0.00 57.07 53.57 3h1h s TYR 237 Cb -0.00 -2.29 0.30 0.00 0.35 0.00 0.00 41.96 40.31 3h1h s TYR 237 CO 0.01 -0.61 0.87 0.54 -1.34 0.00 0.00 175.55 175.01 3h1h n ARG 238 N 4.88 2.94 -1.11 4.97 5.12 -1.26 -5.09 116.66 127.11 3h1h n ARG 238 Ca -0.14 -4.78 -0.32 0.00 -1.93 0.00 0.00 57.85 50.69 3h1h n ARG 238 Cb 0.47 -2.25 0.12 0.00 -1.16 0.00 0.00 32.46 29.64 3h1h n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3h1h s PRO 239 N -3.03 1.79 0.00 5.56 0.04 -1.26 -4.84 135.00 133.26 3h1h s PRO 239 Ca 0.45 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.96 3h1h s PRO 239 Cb 0.22 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 33.04 3h1h s PRO 239 CO -0.08 -2.04 0.82 -2.30 0.04 0.00 0.00 177.00 173.44 3h1h n PRO 240 N -3.56 0.74 0.00 0.56 -0.02 -1.26 -5.33 135.00 126.13 3h1h n PRO 240 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3h1h n PRO 240 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3h1h n PRO 240 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65