#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h n GLU 2 N 0.00 3.65 -4.22 1.61 4.71 -1.26 -4.83 120.64 120.30 3h1h n GLU 2 Ca 0.00 -2.55 -0.20 0.00 -0.01 0.00 0.00 57.16 54.40 3h1h n GLU 2 Cb 0.00 -1.91 -0.12 0.00 -1.01 0.00 0.00 31.44 28.40 3h1h n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3h1h s LEU 3 N -1.85 2.30 0.00 -4.62 1.02 -1.26 -5.15 118.68 109.12 3h1h s LEU 3 Ca 0.45 -0.66 -0.06 0.00 0.02 0.00 0.00 54.13 53.88 3h1h s LEU 3 Cb 0.31 -0.65 -0.00 0.00 0.02 0.00 0.00 46.19 45.86 3h1h s LEU 3 CO 0.19 -0.04 0.11 -1.83 0.02 0.00 0.00 176.35 174.81 3h1h s GLU 4 N -1.91 0.45 -0.17 1.70 -1.05 -1.26 -4.74 118.70 111.72 3h1h s GLU 4 Ca 0.02 -0.40 -0.04 0.00 -0.15 0.00 0.00 54.97 54.39 3h1h s GLU 4 Cb -0.09 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 3h1h s GLU 4 CO 0.03 -0.10 -0.02 -1.17 0.95 0.00 0.00 175.26 174.95 3h1h s LEU 5 N -1.33 3.31 -0.19 1.83 2.96 -1.26 -5.10 118.68 118.90 3h1h s LEU 5 Ca -0.14 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.51 3h1h s LEU 5 Cb -0.08 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3h1h s LEU 5 CO 0.01 0.15 0.29 -1.00 -1.32 0.00 0.00 176.35 174.48 3h1h s HIS 6 N 0.51 3.40 1.00 5.38 3.76 -1.26 -4.80 115.29 123.28 3h1h s HIS 6 Ca -0.02 0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 55.27 3h1h s HIS 6 Cb -0.14 -2.38 0.11 0.00 1.11 0.00 0.00 32.58 31.29 3h1h s HIS 6 CO 0.02 0.12 0.64 -0.35 -0.85 0.00 0.00 174.74 174.33 3h1h n PRO 7 N 4.02 -0.83 -1.86 8.40 -0.04 -1.26 -5.02 135.00 138.41 3h1h n PRO 7 Ca -0.12 -0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 62.94 3h1h n PRO 7 Cb 0.52 -2.03 0.12 0.00 -0.04 0.00 0.00 33.50 32.07 3h1h n PRO 7 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h1h n PRO 8 N -2.94 -0.42 -3.63 0.54 -0.04 -1.26 -5.00 135.00 122.25 3h1h n PRO 8 Ca 0.07 -1.91 -0.39 0.00 -0.04 0.00 0.00 63.50 61.22 3h1h n PRO 8 Cb 0.54 -0.76 -0.10 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.48 3.30 0.30 0.55 0.00 -1.26 -4.80 121.76 116.37 3h1h s ALA 9 Ca 0.55 -2.45 -0.25 0.00 0.00 0.00 0.00 51.96 49.81 3h1h s ALA 9 Cb -0.02 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 3h1h s ALA 9 CO 0.38 -1.82 0.90 -0.06 0.00 0.00 0.00 175.76 175.16 3h1h s PHE 10 N 1.32 3.71 -1.34 0.00 0.40 -1.26 -4.95 117.98 115.85 3h1h s PHE 10 Ca 0.06 1.71 -0.17 0.00 -0.60 0.00 0.00 56.93 57.93 3h1h s PHE 10 Cb -0.25 -2.86 0.05 0.00 0.51 0.00 0.00 43.02 40.47 3h1h s PHE 10 CO -0.01 0.26 1.92 -0.35 0.70 0.00 0.00 175.22 177.74 3h1h n PRO 11 N 0.67 2.96 -1.87 0.24 -0.04 -1.26 -4.97 135.00 130.73 3h1h n PRO 11 Ca 0.01 -2.97 -0.39 0.00 -0.04 0.00 0.00 63.50 60.11 3h1h n PRO 11 Cb 0.50 -3.42 0.03 0.00 -0.04 0.00 0.00 33.50 30.57 3h1h n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3h1h s TRP 12 N 4.18 2.44 -0.64 0.54 0.52 -1.26 -4.86 118.94 119.86 3h1h s TRP 12 Ca 0.52 1.37 0.11 0.00 0.02 0.00 0.00 56.10 58.13 3h1h s TRP 12 Cb 0.08 -3.76 0.58 0.00 -1.15 0.00 0.00 33.47 29.21 3h1h s TRP 12 CO 0.02 -2.66 1.34 -1.13 0.02 0.00 0.00 176.95 174.54 3h1h n SER 13 N -0.67 0.27 -0.39 2.95 3.41 -1.26 -1.99 113.62 115.94 3h1h n SER 13 Ca 0.08 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 3h1h n SER 13 Cb 0.45 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.85 0.19 0.07 7.33 -0.00 -1.25 -4.56 115.22 115.15 3h1h n HIS 14 Ca -0.00 -1.16 -0.04 0.00 -0.00 0.00 0.00 57.72 56.52 3h1h n HIS 14 Cb 0.04 -0.22 -0.08 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 0.55 0.00 -4.57 -1.39 0.00 -1.62 -3.46 103.07 92.58 3h1h h GLY 15 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 3h1h h GLY 15 CO 0.06 0.00 0.93 -0.32 0.00 0.00 0.00 176.54 177.20 3h1h s GLY 16 N -4.71 1.52 0.55 4.60 0.00 -1.26 -4.85 107.32 103.17 3h1h s GLY 16 Ca 0.00 1.47 0.31 0.00 0.00 0.00 0.00 44.72 46.50 3h1h s GLY 16 CO 0.80 2.70 1.88 -0.56 0.00 0.00 0.00 173.10 177.92 3h1h h PRO 17 N 6.51 0.00 -0.44 2.90 0.13 -2.01 0.60 132.00 139.70 3h1h h PRO 17 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3h1h h PRO 17 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h1h h PRO 17 CO 0.91 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.96 3h1h n LEU 18 N -4.08 3.26 -4.61 1.56 4.77 -1.26 -4.80 117.00 111.85 3h1h n LEU 18 Ca 0.16 -1.77 -0.37 0.00 -0.03 0.00 0.00 56.01 53.99 3h1h n LEU 18 Cb 0.89 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 3h1h n LEU 18 CO 0.35 0.77 -0.19 -0.94 -1.33 0.00 0.00 177.39 176.06 3h1h s SER 19 N -1.11 5.94 1.03 -1.43 1.04 0.21 -4.97 113.70 114.41 3h1h s SER 19 Ca 0.34 0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 3h1h s SER 19 Cb 0.18 -2.08 0.14 0.00 0.10 0.00 0.00 66.02 64.36 3h1h s SER 19 CO 0.25 0.02 0.72 0.00 0.98 0.00 0.00 173.24 175.20 3h1h n ALA 20 N 4.62 -1.14 -2.09 5.32 0.00 -1.26 -4.47 120.51 121.50 3h1h n ALA 20 Ca -0.15 -0.97 -0.34 0.00 0.00 0.00 0.00 53.44 51.99 3h1h n ALA 20 Cb 0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 4.14 -0.80 0.00 1.43 -1.26 -3.80 118.68 118.40 3h1h s LEU 21 Ca 0.42 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.68 3h1h s LEU 21 Cb -0.02 -3.98 0.09 0.00 0.03 0.00 0.00 46.19 42.31 3h1h s LEU 21 CO 0.30 -0.14 1.10 -0.62 0.23 0.00 0.00 176.35 177.22 3h1h s ASP 22 N -2.06 6.36 0.59 2.29 2.15 -1.26 -4.88 116.67 119.87 3h1h s ASP 22 Ca 0.51 -1.37 0.29 0.00 0.43 0.00 0.00 52.55 52.42 3h1h s ASP 22 Cb -0.12 -2.44 1.52 0.00 -0.30 0.00 0.00 42.92 41.57 3h1h s ASP 22 CO 0.18 -1.35 1.94 0.45 -0.17 0.00 0.00 175.17 176.22 3h1h h HIS 23 N 9.38 0.00 -0.18 -5.34 3.86 -1.94 0.98 115.15 121.90 3h1h h HIS 23 Ca -0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 3h1h h HIS 23 Cb 1.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 3h1h h HIS 23 CO 1.08 0.00 -0.12 0.77 0.86 0.00 0.00 177.93 180.52 3h1h h SER 24 N 0.00 0.42 -0.61 2.45 0.02 -1.90 0.21 113.55 114.15 3h1h h SER 24 Ca 0.18 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3h1h h SER 24 Cb 1.02 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3h1h h SER 24 CO -0.00 0.77 0.22 -1.28 -1.14 0.00 0.00 176.83 175.40 3h1h h SER 25 N 0.07 0.88 0.30 3.07 0.87 -1.24 -1.55 113.55 115.96 3h1h h SER 25 Ca 0.04 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3h1h h SER 25 Cb 0.63 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3h1h h SER 25 CO 0.03 0.81 -0.15 0.58 -0.53 0.00 0.00 176.83 177.58 3h1h h VAL 26 N 0.93 0.73 -0.80 2.23 2.07 -1.04 0.44 116.25 120.81 3h1h h VAL 26 Ca 0.21 -0.29 0.19 0.00 0.82 0.00 0.00 66.70 67.64 3h1h h VAL 26 Cb 0.23 0.89 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 3h1h h VAL 26 CO -0.01 0.06 0.19 -0.09 0.02 0.00 0.00 177.57 177.73 3h1h h ARG 27 N -0.56 0.23 0.35 1.57 2.43 -0.19 0.27 114.38 118.48 3h1h h ARG 27 Ca -0.04 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3h1h h ARG 27 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h1h h ARG 27 CO 0.07 0.15 -0.17 0.00 -1.51 0.00 0.00 179.97 178.51 3h1h h ARG 28 N 0.24 -0.45 -1.00 0.20 3.08 -1.05 -2.54 114.38 112.86 3h1h h ARG 28 Ca 0.47 0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.85 3h1h h ARG 28 Cb 0.86 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.87 3h1h h ARG 28 CO -0.58 -0.25 0.56 0.78 -1.07 0.00 0.00 179.97 179.41 3h1h h GLY 29 N -0.55 1.99 0.86 0.04 0.00 0.17 0.50 103.07 106.08 3h1h h GLY 29 Ca -0.05 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3h1h h GLY 29 CO 0.08 -0.42 0.42 -2.75 0.00 0.00 0.00 176.54 173.87 3h1h h PHE 30 N 0.38 0.79 0.02 5.60 3.57 -0.42 -0.33 116.94 126.56 3h1h h PHE 30 Ca 0.70 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.22 3h1h h PHE 30 Cb 1.53 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3h1h h PHE 30 CO -0.02 0.45 -0.01 1.96 -2.23 0.00 0.00 178.31 178.46 3h1h h GLN 31 N 0.83 -0.03 -0.69 1.11 4.20 0.13 0.22 115.11 120.87 3h1h h GLN 31 Ca 0.28 0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.12 3h1h h GLN 31 Cb 0.03 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 3h1h h GLN 31 CO -0.11 0.05 0.23 0.28 -0.67 0.00 0.00 178.83 178.61 3h1h h VAL 32 N -0.10 0.65 -0.12 -0.54 2.07 -0.62 0.35 116.25 117.93 3h1h h VAL 32 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3h1h h VAL 32 Cb 0.09 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3h1h h VAL 32 CO 0.01 0.07 0.01 0.22 0.02 0.00 0.00 177.57 177.89 3h1h h TYR 33 N 0.37 0.22 -0.56 1.57 3.20 -0.74 -0.66 116.97 120.38 3h1h h TYR 33 Ca 0.37 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3h1h h TYR 33 Cb 0.56 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 3h1h h TYR 33 CO -0.20 0.43 0.30 -0.22 -1.64 0.00 0.00 178.16 176.83 3h1h h LYS 34 N -0.05 0.55 0.00 1.82 3.64 0.53 0.70 116.57 123.77 3h1h h LYS 34 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h1h h LYS 34 Cb 0.34 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3h1h h LYS 34 CO 0.00 0.37 -0.79 1.04 -2.27 0.00 0.00 179.45 177.80 3h1h n GLN 35 N -4.85 0.17 0.06 1.90 6.02 0.11 -4.52 117.38 116.27 3h1h n GLN 35 Ca 0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3h1h n GLN 35 Cb 0.14 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.79 0.75 -0.07 5.09 0.31 -0.26 -4.91 118.33 117.45 3h1h n VAL 36 Ca 0.03 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 3h1h n VAL 36 Cb 0.39 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 32.06 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 -4.43 0.00 0.19 0.00 3.41 0.24 -0.19 113.62 112.84 3h1h n SER 38 Ca -0.05 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 3h1h n SER 38 Cb 0.40 -0.18 0.19 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.18 0.86 0.00 7.33 0.00 -1.78 -3.38 119.26 123.46 3h1h h ALA 39 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h1h h ALA 39 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h1h h ALA 39 CO 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.42 3h1h s HIS 41 N -0.39 3.12 0.35 0.00 3.76 0.38 -4.72 115.29 117.79 3h1h s HIS 41 Ca 0.00 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 3h1h s HIS 41 Cb 0.00 -2.28 -0.10 0.00 1.11 0.00 0.00 32.58 31.31 3h1h s HIS 41 CO 0.00 -0.31 0.88 -1.54 -0.85 0.00 0.00 174.74 172.91 3h1h s SER 42 N 1.65 7.03 -0.44 1.40 1.04 -1.26 -4.21 113.70 118.91 3h1h s SER 42 Ca 0.06 1.61 0.08 0.00 0.48 0.00 0.00 55.95 58.19 3h1h s SER 42 Cb -0.15 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.75 3h1h s SER 42 CO 0.05 -0.20 0.65 0.80 0.98 0.00 0.00 173.24 175.53 3h1h n MET 43 N -0.08 1.31 -0.03 4.02 0.00 -1.26 -0.40 117.12 120.67 3h1h n MET 43 Ca 0.04 -3.66 0.23 0.00 0.00 0.00 0.00 57.70 54.31 3h1h n MET 43 Cb 0.52 -1.60 0.72 0.00 0.00 0.00 0.00 33.22 32.86 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 3.69 0.00 -0.03 6.12 3.32 -1.93 -3.04 116.42 124.55 3h1h h ASP 44 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h1h h ASP 44 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3h1h h ASP 44 CO 0.57 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.87 3h1h n TYR 45 N -4.14 0.01 -4.29 4.55 4.02 -1.26 -4.80 117.16 111.25 3h1h n TYR 45 Ca 0.12 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.69 3h1h n TYR 45 Cb 0.73 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.96 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 3.89 0.15 -0.72 1.01 -1.15 -5.06 120.40 116.52 3h1h s VAL 46 Ca 0.35 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3h1h s VAL 46 Cb 0.21 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3h1h s VAL 46 CO 0.32 0.28 -0.17 0.00 0.00 0.00 0.00 175.10 175.54 3h1h s ALA 47 N -1.13 1.83 0.41 5.51 0.00 -1.26 -1.71 121.76 125.40 3h1h s ALA 47 Ca 0.21 -1.41 0.15 0.00 0.00 0.00 0.00 51.96 50.91 3h1h s ALA 47 Cb -0.11 -0.15 1.02 0.00 0.00 0.00 0.00 23.12 23.88 3h1h s ALA 47 CO 0.12 0.20 1.89 0.74 0.00 0.00 0.00 175.76 178.71 3h1h h PHE 48 N 3.39 0.56 0.00 0.00 -1.00 -1.49 0.17 116.94 118.58 3h1h h PHE 48 Ca -0.42 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.35 3h1h h PHE 48 Cb 1.20 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 3h1h h PHE 48 CO 0.67 0.19 -0.14 0.07 -1.61 0.00 0.00 178.31 177.49 3h1h h ARG 49 N 0.46 0.00 -0.33 1.51 0.11 -1.13 -2.47 114.38 112.53 3h1h h ARG 49 Ca 0.42 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.60 3h1h h ARG 49 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 3h1h h ARG 49 CO -0.16 0.14 0.25 -0.91 0.10 0.00 0.00 179.97 179.40 3h1h h ASN 50 N 0.00 0.00 0.25 0.08 2.35 -0.92 -1.54 115.58 115.80 3h1h h ASN 50 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 3h1h h ASN 50 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3h1h h ASN 50 CO 0.02 0.00 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.08 3h1h h LEU 51 N 0.00 0.43 -9.31 1.61 3.38 -1.55 -3.43 115.31 106.45 3h1h h LEU 51 Ca 0.16 -0.26 -0.65 0.00 0.09 0.00 0.00 57.88 57.22 3h1h h LEU 51 Cb 0.66 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.32 3h1h h LEU 51 CO -0.00 0.96 0.85 -0.38 0.09 0.00 0.00 178.44 179.96 3h1h n ILE 52 N -3.88 0.26 -1.00 1.22 5.41 -0.58 -0.40 119.36 120.39 3h1h n ILE 52 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3h1h n ILE 52 Cb 0.65 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 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 3.73 0.47 0.97 7.39 0.00 -0.75 -4.81 105.19 112.18 3h1h n GLY 53 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.94 0.00 0.00 1.61 0.31 0.46 -4.96 118.33 112.81 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 0.03 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 -2.62 0.00 -4.29 2.52 -2.24 -0.58 -4.84 114.28 102.22 3h1h n THR 55 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3h1h n THR 55 Cb 0.32 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.57 1.41 0.43 4.78 4.02 -1.08 -4.88 115.29 119.39 3h1h s HIS 56 Ca 0.00 -1.00 -0.09 0.00 1.02 0.00 0.00 55.06 54.99 3h1h s HIS 56 Cb 0.00 -0.81 -0.06 0.00 -1.02 0.00 0.00 32.58 30.69 3h1h s HIS 56 CO 0.00 -0.15 0.78 0.99 1.02 0.00 0.00 174.74 177.37 3h1h s THR 57 N -3.57 4.82 0.31 1.30 2.01 -1.26 -1.82 115.64 117.43 3h1h s THR 57 Ca 0.28 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.88 3h1h s THR 57 Cb 0.06 -3.77 0.31 0.00 0.01 0.00 0.00 72.50 69.11 3h1h s THR 57 CO 0.07 -0.61 1.75 -0.08 -0.69 0.00 0.00 174.62 175.07 3h1h h GLU 58 N 0.99 0.64 0.23 4.92 4.81 -1.95 -0.45 114.58 123.78 3h1h h GLU 58 Ca -0.47 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3h1h h GLU 58 Cb 1.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3h1h h GLU 58 CO 0.63 0.43 -0.11 0.00 -0.73 0.00 0.00 179.01 179.23 3h1h h ALA 59 N 1.69 -0.31 -0.72 2.92 0.00 -1.99 -0.92 119.26 119.92 3h1h h ALA 59 Ca 0.61 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.47 3h1h h ALA 59 Cb 1.08 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3h1h h ALA 59 CO -0.43 -0.55 0.35 0.93 0.00 0.00 0.00 179.25 179.55 3h1h h GLU 60 N -0.57 0.57 -0.14 0.00 5.08 -1.68 -1.56 114.58 116.27 3h1h h GLU 60 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3h1h h GLU 60 Cb 0.42 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3h1h h GLU 60 CO 0.05 0.38 0.09 0.00 -1.00 0.00 0.00 179.01 178.52 3h1h h ALA 61 N 1.45 0.17 -1.00 3.43 0.00 -1.03 0.16 119.26 122.44 3h1h h ALA 61 Ca 0.36 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.36 3h1h h ALA 61 Cb 0.41 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3h1h h ALA 61 CO -0.29 -0.33 0.63 -0.22 0.00 0.00 0.00 179.25 179.05 3h1h h LYS 62 N 0.17 0.99 0.32 0.00 3.64 -0.42 -2.25 116.57 119.03 3h1h h LYS 62 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 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 -0.01 0.66 -0.16 0.00 -2.27 0.00 0.00 179.45 177.67 3h1h h ALA 63 N 1.52 -0.43 -0.67 5.00 0.00 -0.52 -2.73 119.26 121.43 3h1h h ALA 63 Ca 0.49 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.42 3h1h h ALA 63 Cb 0.43 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3h1h h ALA 63 CO -0.25 -0.60 0.59 -0.07 0.00 0.00 0.00 179.25 178.92 3h1h h LEU 64 N -0.71 0.00 0.00 0.00 3.38 -0.23 0.69 115.31 118.44 3h1h h LEU 64 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 3h1h h LEU 64 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3h1h h LEU 64 CO 0.07 0.00 -1.39 0.00 0.09 0.00 0.00 178.44 177.21 3h1h h ALA 65 N 1.44 0.65 0.00 1.53 0.00 -1.36 -3.30 119.26 118.22 3h1h h ALA 65 Ca 0.32 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3h1h h ALA 65 Cb 1.50 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3h1h h ALA 65 CO -0.00 1.28 0.00 0.93 0.00 0.00 0.00 179.25 181.46 3h1h h GLU 66 N 0.00 0.00 0.00 0.00 5.08 -0.55 -2.55 114.58 116.56 3h1h h GLU 66 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3h1h h GLU 66 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3h1h h GLU 66 CO 0.08 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 3h1h n GLU 67 N -2.36 0.02 -4.29 2.33 1.02 -0.97 -4.46 120.64 111.93 3h1h n GLU 67 Ca 0.03 0.23 -0.29 0.00 -0.02 0.00 0.00 57.16 57.11 3h1h n GLU 67 Cb 0.32 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.03 2.94 -0.11 2.62 1.01 -0.99 -5.03 120.40 117.80 3h1h s VAL 68 Ca 0.08 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 3h1h s VAL 68 Cb 0.11 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3h1h s VAL 68 CO 0.32 0.09 -0.01 -1.61 0.00 0.00 0.00 175.10 173.89 3h1h s GLU 69 N -2.20 3.27 0.42 2.72 0.41 -1.26 -0.23 118.70 121.84 3h1h s GLU 69 Ca 0.19 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.38 3h1h s GLU 69 Cb -0.11 -2.86 -0.06 0.00 -1.78 0.00 0.00 34.13 29.32 3h1h s GLU 69 CO 0.11 0.52 0.09 0.14 -0.49 0.00 0.00 175.26 175.63 3h1h s VAL 70 N -0.39 2.08 -0.33 2.63 -7.23 0.87 -4.88 120.40 113.15 3h1h s VAL 70 Ca 0.07 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 3h1h s VAL 70 Cb -0.12 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.90 3h1h s VAL 70 CO 0.02 0.00 0.13 -1.58 -0.31 0.00 0.00 175.10 173.36 3h1h s GLN 71 N -3.82 2.96 0.11 4.82 0.74 -1.26 -2.16 119.66 121.06 3h1h s GLN 71 Ca 0.36 -0.96 0.01 0.00 0.05 0.00 0.00 55.36 54.82 3h1h s GLN 71 Cb 0.07 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.67 3h1h s GLN 71 CO 0.19 -0.55 0.04 -3.47 -0.55 0.00 0.00 175.29 170.95 3h1h n ASP 72 N 4.91 1.85 0.00 6.67 4.64 -0.57 -4.96 116.55 129.09 3h1h n ASP 72 Ca -0.13 -1.45 0.00 0.00 -1.38 0.00 0.00 54.79 51.83 3h1h n ASP 72 Cb 0.47 0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 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 3.63 0.65 3.89 0.27 0.00 -1.26 -2.55 105.19 109.82 3h1h n GLY 73 Ca -0.03 -2.31 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.66 1.88 0.00 1.61 0.04 -1.26 -5.05 135.00 131.55 3h1h s PRO 74 Ca 0.00 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.16 3h1h s PRO 74 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3h1h s PRO 74 CO 0.00 -1.66 0.00 -0.40 0.04 0.00 0.00 177.00 174.98 3h1h n ASP 75 N -3.36 0.00 0.15 6.66 5.68 -0.54 -4.84 116.55 120.30 3h1h n ASP 75 Ca 0.08 -0.19 0.09 0.00 -0.50 0.00 0.00 54.79 54.27 3h1h n ASP 75 Cb 0.61 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.18 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 -0.27 0.11 3.07 -2.03 -2.03 114.58 113.57 3h1h h GLU 76 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3h1h h GLU 76 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3h1h h GLU 76 CO 0.00 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.80 3h1h n ASN 77 N -4.50 3.06 0.00 1.42 3.02 -1.26 -4.96 115.26 112.04 3h1h n ASN 77 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3h1h n ASN 77 Cb 0.16 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.41 0.44 3.94 7.41 0.00 -0.76 -5.05 105.19 112.58 3h1h n GLY 78 Ca 0.18 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.09 3.51 0.68 1.61 0.41 -1.26 -4.70 118.70 117.85 3h1h s GLU 79 Ca 0.00 -0.30 -0.03 0.00 -0.41 0.00 0.00 54.97 54.22 3h1h s GLU 79 Cb 0.00 -2.69 0.08 0.00 -1.78 0.00 0.00 34.13 29.74 3h1h s GLU 79 CO 0.00 0.20 0.96 -0.51 -0.49 0.00 0.00 175.26 175.41 3h1h s LEU 80 N -4.09 2.99 0.07 1.80 1.43 -1.26 -1.47 118.68 118.15 3h1h s LEU 80 Ca 0.40 0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 3h1h s LEU 80 Cb -0.10 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.49 3h1h s LEU 80 CO 0.34 -1.59 1.05 0.72 0.23 0.00 0.00 176.35 177.10 3h1h s PHE 81 N -3.11 -0.14 0.23 0.29 -0.12 -1.06 -4.91 117.98 109.17 3h1h s PHE 81 Ca 0.62 -0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 3h1h s PHE 81 Cb -0.09 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3h1h s PHE 81 CO 0.43 -0.60 0.34 -1.64 -0.05 0.00 0.00 175.22 173.69 3h1h s MET 82 N -2.98 3.39 0.01 1.99 -1.94 -1.26 -1.51 119.30 116.99 3h1h s MET 82 Ca 0.12 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 53.04 3h1h s MET 82 Cb 0.00 -2.86 0.08 0.00 2.01 0.00 0.00 34.83 34.06 3h1h s MET 82 CO -0.01 0.44 0.74 -0.98 -0.01 0.00 0.00 175.02 175.19 3h1h s ARG 83 N -3.90 1.02 0.12 2.03 1.70 -0.92 -4.91 118.95 114.10 3h1h s ARG 83 Ca 0.34 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.21 3h1h s ARG 83 Cb -0.09 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.69 3h1h s ARG 83 CO 0.29 -0.39 1.19 -1.25 -1.08 0.00 0.00 175.30 174.06 3h1h s PRO 84 N -2.32 4.47 0.87 3.89 0.04 -1.26 -0.09 135.00 140.61 3h1h s PRO 84 Ca -0.03 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 3h1h s PRO 84 Cb -0.01 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3h1h s PRO 84 CO -0.02 -0.15 0.51 0.41 0.04 0.00 0.00 177.00 177.79 3h1h n GLY 85 N 2.68 -1.71 3.52 0.56 0.00 0.69 -4.86 105.19 106.07 3h1h n GLY 85 Ca 0.06 -0.62 -0.25 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 -3.43 1.75 0.17 1.61 1.02 -1.26 -3.66 119.74 115.95 3h1h s LYS 86 Ca 0.61 -1.91 0.18 0.00 0.02 0.00 0.00 55.97 54.86 3h1h s LYS 86 Cb -0.26 -1.53 0.80 0.00 -0.52 0.00 0.00 37.83 36.32 3h1h s LYS 86 CO 0.63 0.09 1.54 0.44 -0.92 0.00 0.00 175.35 177.13 3h1h n ILE 87 N -0.75 1.09 1.05 2.17 -5.35 -1.26 -1.60 119.36 114.71 3h1h n ILE 87 Ca -0.05 0.39 0.14 0.00 -0.27 0.00 0.00 62.75 62.96 3h1h n ILE 87 Cb 0.64 -1.30 0.56 0.00 -1.74 0.00 0.00 39.64 37.79 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 -1.96 0.12 -4.87 7.28 3.41 -1.26 -0.60 113.62 115.74 3h1h n SER 88 Ca 0.01 0.25 -0.30 0.00 -0.26 0.00 0.00 58.87 58.57 3h1h n SER 88 Cb 0.14 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.94 6.47 0.05 4.04 1.01 -0.63 -4.92 116.67 119.75 3h1h s ASP 89 Ca 0.15 1.21 -0.01 0.00 0.71 0.00 0.00 52.55 54.61 3h1h s ASP 89 Cb 0.19 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3h1h s ASP 89 CO 0.55 -0.51 0.22 -0.31 0.21 0.00 0.00 175.17 175.33 3h1h s TYR 90 N -2.56 3.52 -0.31 4.23 1.51 -1.26 -2.57 117.35 119.90 3h1h s TYR 90 Ca 0.52 0.30 -0.44 0.00 -1.01 0.00 0.00 57.07 56.45 3h1h s TYR 90 Cb -0.10 -1.80 -0.19 0.00 -0.11 0.00 0.00 41.96 39.76 3h1h s TYR 90 CO 0.36 0.59 1.47 1.19 -1.11 0.00 0.00 175.55 178.05 3h1h n PHE 91 N 0.40 1.51 -1.56 2.71 3.72 -0.70 -4.80 117.46 118.74 3h1h n PHE 91 Ca -0.06 1.02 -0.44 0.00 -0.05 0.00 0.00 57.45 57.92 3h1h n PHE 91 Cb 0.51 -2.23 -0.01 0.00 -0.94 0.00 0.00 39.48 36.81 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 3.48 1.14 -3.03 -1.08 -0.02 -1.26 -4.52 135.00 129.71 3h1h n PRO 92 Ca 0.27 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 3h1h n PRO 92 Cb 0.01 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.56 4.39 0.20 -0.52 1.02 -1.26 -4.61 119.74 117.41 3h1h s LYS 93 Ca 0.60 1.01 0.11 0.00 0.02 0.00 0.00 55.97 57.72 3h1h s LYS 93 Cb -0.70 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 3h1h s LYS 93 CO 0.59 0.45 1.36 -1.35 -0.92 0.00 0.00 175.35 175.48 3h1h h PRO 94 N 3.73 0.00 -5.20 -1.68 0.11 -1.88 -3.46 132.00 123.62 3h1h h PRO 94 Ca -0.48 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.23 3h1h h PRO 94 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 3h1h h PRO 94 CO 0.65 0.72 -0.78 0.71 -0.21 0.00 0.00 178.00 179.09 3h1h s TYR 95 N -2.85 1.12 0.14 0.65 1.51 -1.26 -5.04 117.35 111.62 3h1h s TYR 95 Ca 0.02 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.48 3h1h s TYR 95 Cb 0.09 -0.65 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 3h1h s TYR 95 CO 0.78 0.03 1.69 -1.35 -1.11 0.00 0.00 175.55 175.59 3h1h h PRO 96 N 4.58 -0.00 -4.27 -1.71 0.11 -1.96 -3.46 132.00 125.30 3h1h h PRO 96 Ca -0.39 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 3h1h h PRO 96 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3h1h h PRO 96 CO 0.42 -0.00 -0.46 0.54 -0.21 0.00 0.00 178.00 178.29 3h1h s ASN 97 N -5.21 0.08 0.21 -2.05 2.20 -1.26 -5.06 114.94 103.86 3h1h s ASN 97 Ca -0.14 -1.22 -0.10 0.00 -0.94 0.00 0.00 52.86 50.46 3h1h s ASN 97 Cb 0.11 0.44 0.16 0.00 -2.00 0.00 0.00 41.25 39.97 3h1h s ASN 97 CO 0.69 -0.93 1.87 1.55 -2.94 0.00 0.00 177.10 177.35 3h1h h PRO 98 N 2.52 1.03 -0.98 3.55 0.13 -2.00 -2.34 132.00 133.91 3h1h h PRO 98 Ca -0.33 -0.07 0.19 0.00 -0.87 0.00 0.00 66.00 64.92 3h1h h PRO 98 Cb 1.25 -0.23 -0.11 0.00 0.13 0.00 0.00 31.00 32.04 3h1h h PRO 98 CO 0.48 0.69 0.57 0.93 -0.23 0.00 0.00 178.00 180.45 3h1h h GLU 99 N 1.05 0.70 -0.15 0.86 3.07 -1.99 0.90 114.58 119.01 3h1h h GLU 99 Ca 0.28 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 3h1h h GLU 99 Cb -0.10 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 3h1h h GLU 99 CO -0.06 0.46 -0.59 0.00 -1.40 0.00 0.00 179.01 177.43 3h1h h ALA 100 N 1.64 0.69 0.05 3.43 0.00 -1.85 -2.27 119.26 120.95 3h1h h ALA 100 Ca 0.57 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h1h h ALA 100 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h1h h ALA 100 CO -0.39 0.70 -0.02 0.00 0.00 0.00 0.00 179.25 179.54 3h1h h ALA 101 N 0.98 -0.06 -0.87 0.00 0.00 -0.58 -2.62 119.26 116.12 3h1h h ALA 101 Ca -0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3h1h h ALA 101 Cb 1.13 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 3h1h h ALA 101 CO 0.11 -0.40 0.51 0.00 0.00 0.00 0.00 179.25 179.47 3h1h h ARG 102 N -0.34 0.82 -0.65 0.00 3.08 -0.91 -1.64 114.38 114.74 3h1h h ARG 102 Ca -0.01 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3h1h h ARG 102 Cb 0.31 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3h1h h ARG 102 CO 0.01 0.54 0.43 0.00 -1.07 0.00 0.00 179.97 179.88 3h1h h ALA 103 N 1.47 1.69 -0.05 0.04 0.00 -1.25 1.05 119.26 122.21 3h1h h ALA 103 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3h1h h ALA 103 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h1h h ALA 103 CO -0.25 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3h1h n ALA 104 N -2.46 2.54 -2.07 0.00 0.00 -0.65 -4.17 120.51 113.71 3h1h n ALA 104 Ca 0.08 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.05 3h1h n ALA 104 Cb 0.16 -1.08 0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 0.47 1.28 -2.91 0.00 3.02 -0.85 -5.01 115.26 111.26 3h1h n ASN 105 Ca 0.18 -2.80 -0.13 0.00 -0.03 0.00 0.00 54.58 51.80 3h1h n ASN 105 Cb 0.41 -0.39 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 -0.24 -2.52 0.00 6.41 3.02 -0.97 -2.75 115.26 118.20 3h1h n ASN 106 Ca 0.11 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3h1h n ASN 106 Cb 0.93 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -1.13 0.25 3.88 7.41 0.00 0.36 -4.96 105.19 111.00 3h1h n GLY 107 Ca -0.20 0.00 -0.30 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 -1.74 3.47 -0.32 4.61 0.00 -1.11 -4.86 121.76 121.80 3h1h s ALA 108 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3h1h s ALA 108 Cb 0.00 -2.54 0.09 0.00 0.00 0.00 0.00 23.12 20.67 3h1h s ALA 108 CO 0.00 0.19 0.03 -1.17 0.00 0.00 0.00 175.76 174.81 3h1h s LEU 109 N -3.50 4.01 -0.26 0.00 2.96 -1.26 -3.63 118.68 116.98 3h1h s LEU 109 Ca 0.49 -1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 52.20 3h1h s LEU 109 Cb -0.11 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3h1h s LEU 109 CO 0.28 -0.36 1.99 -2.16 -1.32 0.00 0.00 176.35 174.79 3h1h s PRO 110 N 1.09 3.27 0.59 0.98 0.04 -1.26 -4.94 135.00 134.77 3h1h s PRO 110 Ca 0.07 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 3h1h s PRO 110 Cb -0.19 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.04 3h1h s PRO 110 CO -0.11 -1.94 1.26 -1.25 0.04 0.00 0.00 177.00 175.00 3h1h s PRO 111 N 5.93 2.94 0.28 0.56 0.04 -1.26 -4.68 135.00 138.81 3h1h s PRO 111 Ca 0.90 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 3h1h s PRO 111 Cb -0.28 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 3h1h s PRO 111 CO 0.34 -1.26 1.59 0.34 0.04 0.00 0.00 177.00 178.05 3h1h s ASP 112 N -1.40 6.40 -0.10 6.66 -1.08 -1.26 -4.48 116.67 121.40 3h1h s ASP 112 Ca 0.77 2.92 0.11 0.00 -0.52 0.00 0.00 52.55 55.83 3h1h s ASP 112 Cb -0.34 -2.63 0.51 0.00 -1.46 0.00 0.00 42.92 39.00 3h1h s ASP 112 CO 0.38 -0.90 1.35 0.18 0.52 0.00 0.00 175.17 176.70 3h1h n LEU 113 N 2.31 3.66 -0.27 -1.34 4.77 0.46 -4.50 117.00 122.09 3h1h n LEU 113 Ca 0.09 -1.85 -0.01 0.00 -0.03 0.00 0.00 56.01 54.20 3h1h n LEU 113 Cb 0.37 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 41.12 3h1h n LEU 113 CO 0.63 0.56 1.21 0.28 -1.33 0.00 0.00 177.39 178.74 3h1h h SER 114 N 2.77 0.98 0.00 -1.43 0.02 -1.91 -3.21 113.55 110.77 3h1h h SER 114 Ca 0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3h1h h SER 114 Cb 1.21 -0.25 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 3h1h h SER 114 CO 0.22 0.75 -0.53 -1.22 -1.14 0.00 0.00 176.83 174.90 3h1h n TYR 115 N -4.37 0.00 -0.21 3.45 4.02 -1.26 -2.93 117.16 115.86 3h1h n TYR 115 Ca 0.09 -0.98 -0.06 0.00 -0.01 0.00 0.00 57.90 56.94 3h1h n TYR 115 Cb 0.07 -0.18 0.04 0.00 -0.02 0.00 0.00 39.34 39.24 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 2.98 1.17 0.00 -0.72 6.09 -1.80 -0.71 117.51 124.52 3h1h h ILE 116 Ca -0.06 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3h1h h ILE 116 Cb 1.27 0.30 0.00 0.00 0.47 0.00 0.00 36.82 38.86 3h1h h ILE 116 CO 0.02 0.17 0.00 1.33 -3.07 0.00 0.00 178.15 176.60 3h1h n VAL 117 N -4.64 1.13 0.31 2.19 0.24 -1.26 -1.16 118.33 115.15 3h1h n VAL 117 Ca 0.04 0.28 0.04 0.00 -2.04 0.00 0.00 64.34 62.66 3h1h n VAL 117 Cb 0.04 -1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 31.21 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 -1.39 0.84 -0.19 -1.34 3.02 -0.76 -3.57 115.26 111.88 3h1h n ASN 118 Ca 0.03 -0.57 0.12 0.00 -0.03 0.00 0.00 54.58 54.13 3h1h n ASN 118 Cb 0.08 1.06 0.28 0.00 -0.61 0.00 0.00 39.78 40.59 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 -1.29 3.34 -2.59 5.41 0.00 -0.31 -4.86 120.51 120.22 3h1h n ALA 119 Ca 0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 3h1h n ALA 119 Cb 0.14 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.66 1.08 0.15 0.00 1.81 -1.00 -5.05 118.95 113.28 3h1h s ARG 120 Ca 0.19 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.35 3h1h s ARG 120 Cb 0.18 -1.06 -0.10 0.00 -0.45 0.00 0.00 34.95 33.53 3h1h s ARG 120 CO 0.59 0.29 1.66 -1.01 -0.68 0.00 0.00 175.30 176.14 3h1h s HIS 121 N -0.42 2.76 0.00 -0.53 3.76 -1.26 -2.00 115.29 117.60 3h1h s HIS 121 Ca 0.05 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 3h1h s HIS 121 Cb -0.06 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.62 3h1h s HIS 121 CO -0.00 -3.91 0.00 0.41 -0.85 0.00 0.00 174.74 170.39 3h1h n GLY 122 N 3.92 2.63 7.00 -2.22 0.00 -1.26 -4.68 105.19 110.58 3h1h n GLY 122 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.68 2.28 0.24 -0.02 0.00 -0.85 -1.86 105.19 104.30 3h1h n GLY 123 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.13 -0.99 1.61 9.09 -1.90 0.43 114.58 122.94 3h1h h GLU 124 Ca 0.00 -0.01 0.23 0.00 0.05 0.00 0.00 59.36 59.63 3h1h h GLU 124 Cb 0.00 -0.03 -0.09 0.00 -1.65 0.00 0.00 28.75 26.98 3h1h h GLU 124 CO 0.00 0.08 0.63 -0.44 0.05 0.00 0.00 179.01 179.34 3h1h h ASP 125 N 0.13 0.55 0.02 3.06 3.45 -1.69 1.22 116.42 123.17 3h1h h ASP 125 Ca 0.34 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.84 3h1h h ASP 125 Cb 0.57 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3h1h h ASP 125 CO -0.54 0.16 -0.21 0.22 -1.57 0.00 0.00 179.24 177.30 3h1h h TYR 126 N 0.51 0.09 -0.88 4.55 3.20 -0.06 -2.63 116.97 121.75 3h1h h TYR 126 Ca 0.56 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.41 3h1h h TYR 126 Cb 1.24 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 3h1h h TYR 126 CO -0.00 1.08 0.56 0.28 -1.64 0.00 0.00 178.16 178.44 3h1h h VAL 127 N -0.89 1.12 -0.18 1.81 2.07 0.25 -0.54 116.25 119.89 3h1h h VAL 127 Ca -0.04 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3h1h h VAL 127 Cb 1.13 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3h1h h VAL 127 CO 0.01 0.20 0.06 0.15 0.02 0.00 0.00 177.57 178.01 3h1h h PHE 128 N 1.08 0.30 -0.61 1.57 3.57 0.14 -2.01 116.94 120.98 3h1h h PHE 128 Ca 0.36 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.85 3h1h h PHE 128 Cb 0.04 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3h1h h PHE 128 CO -0.02 0.39 0.38 0.77 -2.23 0.00 0.00 178.31 177.60 3h1h h SER 129 N 0.12 0.63 0.11 0.41 0.02 -1.13 -2.70 113.55 111.01 3h1h h SER 129 Ca 0.06 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3h1h h SER 129 Cb 0.23 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3h1h h SER 129 CO -0.00 0.44 -0.15 0.25 -1.14 0.00 0.00 176.83 176.23 3h1h h LEU 130 N 0.76 -0.41 0.30 5.07 5.85 -0.94 0.27 115.31 126.20 3h1h h LEU 130 Ca 0.24 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3h1h h LEU 130 Cb -0.01 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3h1h h LEU 130 CO -0.09 -0.23 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.35 3h1h h LEU 131 N -0.31 -1.03 -0.73 2.25 3.38 -1.21 -3.13 115.31 114.53 3h1h h LEU 131 Ca 0.02 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3h1h h LEU 131 Cb 0.32 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3h1h h LEU 131 CO -0.07 -0.46 0.18 0.71 0.09 0.00 0.00 178.44 178.89 3h1h h THR 132 N -0.68 1.26 0.00 0.22 1.35 -1.51 -3.34 112.91 110.22 3h1h h THR 132 Ca -0.04 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3h1h h THR 132 Cb 0.61 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3h1h h THR 132 CO -0.08 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 3h1h n GLY 133 N -0.68 0.09 3.77 5.82 0.00 0.95 -4.90 105.19 110.24 3h1h n GLY 133 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.43 2.97 0.24 1.61 1.51 -1.26 -4.41 117.35 116.60 3h1h s TYR 134 Ca 0.00 1.53 -0.21 0.00 -1.01 0.00 0.00 57.07 57.38 3h1h s TYR 134 Cb 0.00 -3.43 0.07 0.00 -0.11 0.00 0.00 41.96 38.49 3h1h s TYR 134 CO 0.00 -1.49 0.94 0.00 -1.11 0.00 0.00 175.55 173.89 3h1h s ASP 136 N -3.21 6.63 0.47 0.00 1.01 -1.26 -4.41 116.67 115.90 3h1h s ASP 136 Ca 0.18 1.94 -0.23 0.00 0.71 0.00 0.00 52.55 55.15 3h1h s ASP 136 Cb -0.03 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 3h1h s ASP 136 CO 0.07 -0.58 1.21 -2.16 0.21 0.00 0.00 175.17 173.92 3h1h s PRO 137 N -2.87 3.68 1.01 8.23 0.04 -1.26 -5.02 135.00 138.81 3h1h s PRO 137 Ca 0.62 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 3h1h s PRO 137 Cb -0.18 -2.43 0.19 0.00 0.04 0.00 0.00 34.50 32.13 3h1h s PRO 137 CO 0.22 -0.65 1.14 -1.25 0.04 0.00 0.00 177.00 176.50 3h1h s PRO 138 N -2.67 0.35 0.40 0.56 0.04 -1.26 -4.90 135.00 127.52 3h1h s PRO 138 Ca 0.64 0.18 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 3h1h s PRO 138 Cb -0.32 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3h1h s PRO 138 CO 0.39 -2.71 1.31 0.00 0.04 0.00 0.00 177.00 176.02 3h1h n ALA 139 N -4.10 1.46 -0.03 8.56 0.00 -1.26 -2.19 120.51 122.94 3h1h n ALA 139 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3h1h n ALA 139 Cb 0.59 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 0.75 2.58 3.52 0.00 0.00 -1.26 -5.00 105.19 105.77 3h1h n GLY 140 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.92 4.46 -0.16 1.61 1.01 -0.93 -5.09 120.40 118.38 3h1h s VAL 141 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3h1h s VAL 141 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3h1h s VAL 141 CO 0.00 0.39 -0.19 0.68 0.00 0.00 0.00 175.10 175.98 3h1h s VAL 142 N 1.08 2.26 -0.23 2.92 -7.23 -1.26 -4.66 120.40 113.28 3h1h s VAL 142 Ca 0.04 -0.90 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 3h1h s VAL 142 Cb -0.14 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3h1h s VAL 142 CO 0.03 0.53 0.58 -0.69 -0.31 0.00 0.00 175.10 175.24 3h1h s VAL 143 N 1.01 5.04 0.73 1.32 1.01 -1.26 -5.05 120.40 123.20 3h1h s VAL 143 Ca -0.02 1.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 3h1h s VAL 143 Cb -0.15 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.38 3h1h s VAL 143 CO -0.05 0.09 1.20 0.00 0.00 0.00 0.00 175.10 176.34 3h1h s ARG 144 N 2.13 2.15 -0.08 2.72 1.70 -1.26 -4.87 118.95 121.44 3h1h s ARG 144 Ca 0.25 1.74 -0.38 0.00 -0.47 0.00 0.00 55.73 56.87 3h1h s ARG 144 Cb -0.16 -1.84 -0.16 0.00 -0.57 0.00 0.00 34.95 32.23 3h1h s ARG 144 CO 0.09 -1.82 1.56 -1.91 -1.08 0.00 0.00 175.30 172.14 3h1h n GLU 145 N -2.73 1.26 0.00 3.89 2.13 -1.26 -2.12 120.64 121.80 3h1h n GLU 145 Ca 0.13 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3h1h n GLU 145 Cb 0.50 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 3.42 2.53 3.99 8.31 0.00 -1.26 -5.07 105.19 117.10 3h1h n GLY 146 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 3.64 0.02 0.99 1.43 -0.90 -4.84 118.68 119.02 3h1h s LEU 147 Ca 0.00 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3h1h s LEU 147 Cb 0.00 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3h1h s LEU 147 CO 0.00 -0.76 -0.14 -1.00 0.23 0.00 0.00 176.35 174.68 3h1h s HIS 148 N -2.44 1.24 0.12 0.29 3.76 0.11 -4.86 115.29 113.51 3h1h s HIS 148 Ca 0.52 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 3h1h s HIS 148 Cb -0.10 -0.76 -0.06 0.00 1.11 0.00 0.00 32.58 32.77 3h1h s HIS 148 CO 0.35 0.02 1.04 -0.47 -0.85 0.00 0.00 174.74 174.83 3h1h s TYR 149 N -0.67 3.68 -0.18 1.40 5.04 -1.26 -1.18 117.35 124.18 3h1h s TYR 149 Ca 0.03 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.28 3h1h s TYR 149 Cb -0.07 -3.18 0.09 0.00 0.35 0.00 0.00 41.96 39.15 3h1h s TYR 149 CO 0.01 -0.28 0.31 1.21 -1.34 0.00 0.00 175.55 175.45 3h1h s ASN 150 N 0.14 0.44 0.52 4.32 3.84 0.99 -3.22 114.94 121.97 3h1h s ASN 150 Ca 0.49 0.40 0.29 0.00 0.21 0.00 0.00 52.86 54.26 3h1h s ASN 150 Cb -0.26 0.84 1.34 0.00 -0.55 0.00 0.00 41.25 42.62 3h1h s ASN 150 CO 0.32 -0.27 2.00 1.55 -2.79 0.00 0.00 177.10 177.90 3h1h h PRO 151 N 8.25 0.00 0.00 0.43 0.13 -1.79 -3.00 132.00 136.02 3h1h h PRO 151 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.90 3h1h h PRO 151 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3h1h h PRO 151 CO 0.20 0.12 -0.34 1.88 -0.23 0.00 0.00 178.00 179.62 3h1h h TYR 152 N 0.00 0.00 -3.36 1.56 0.05 -1.87 -3.39 116.97 109.97 3h1h h TYR 152 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3h1h h TYR 152 Cb 0.48 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 3h1h h TYR 152 CO 0.00 0.34 0.06 0.12 -1.05 0.00 0.00 178.16 177.63 3h1h s PHE 153 N -3.20 3.63 0.19 4.88 5.36 -1.13 -4.87 117.98 122.84 3h1h s PHE 153 Ca 0.03 1.25 -0.33 0.00 -0.96 0.00 0.00 56.93 56.93 3h1h s PHE 153 Cb 0.08 -2.74 -0.14 0.00 -0.34 0.00 0.00 43.02 39.88 3h1h s PHE 153 CO 0.70 0.20 1.48 -0.35 -1.46 0.00 0.00 175.22 175.78 3h1h n PRO 154 N 3.31 2.02 0.00 10.12 -0.04 -1.26 0.50 135.00 149.65 3h1h n PRO 154 Ca -0.03 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3h1h n PRO 154 Cb 0.51 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.74 3.21 4.02 0.55 0.00 -1.26 -4.41 105.19 110.03 3h1h n GLY 155 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.57 1.61 3.00 0.18 -4.93 117.38 111.67 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 -2.98 -0.09 0.00 0.00 0.00 0.00 30.24 27.17 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 -1.97 3.37 -0.06 -1.58 0.00 -1.26 -0.01 121.76 120.25 3h1h s ALA 157 Ca 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 51.96 49.46 3h1h s ALA 157 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3h1h s ALA 157 CO 0.00 -1.86 0.09 -1.50 0.00 0.00 0.00 175.76 172.49 3h1h s ILE 158 N 1.37 4.93 -1.39 0.00 2.07 -0.32 -4.84 121.20 123.02 3h1h s ILE 158 Ca 0.05 -0.15 0.27 0.00 -1.41 0.00 0.00 60.65 59.41 3h1h s ILE 158 Cb -0.26 -3.18 0.44 0.00 0.13 0.00 0.00 42.46 39.60 3h1h s ILE 158 CO -0.00 0.50 1.90 0.61 -1.91 0.00 0.00 174.94 176.04 3h1h n GLY 159 N 1.67 -1.19 3.62 1.50 0.00 -1.26 -0.71 105.19 108.82 3h1h n GLY 159 Ca -0.17 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.61 4.05 0.22 1.61 0.00 -1.26 -4.88 119.30 116.43 3h1h s MET 160 Ca 0.24 0.06 -0.30 0.00 0.00 0.00 0.00 55.69 55.69 3h1h s MET 160 Cb 0.18 -3.63 -0.08 0.00 0.00 0.00 0.00 34.83 31.30 3h1h s MET 160 CO 0.41 -0.22 1.05 0.00 0.00 0.00 0.00 175.02 176.27 3h1h s ALA 161 N 1.88 3.37 -0.31 4.11 0.00 -1.26 -4.78 121.76 124.77 3h1h s ALA 161 Ca 0.15 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 3h1h s ALA 161 Cb -0.15 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 3h1h s ALA 161 CO 0.09 -0.09 1.11 -2.30 0.00 0.00 0.00 175.76 174.58 3h1h n PRO 162 N 1.82 0.00 0.08 0.00 -0.02 -1.26 -4.80 135.00 130.82 3h1h n PRO 162 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 3h1h n PRO 162 Cb 0.46 -0.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.97 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 4.01 0.00 -5.98 0.52 0.13 -1.90 -3.47 132.00 125.32 3h1h h PRO 163 Ca -0.19 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.34 3h1h h PRO 163 Cb 0.86 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.69 3h1h h PRO 163 CO 0.63 0.49 -0.85 0.96 -0.23 0.00 0.00 178.00 179.00 3h1h s ILE 164 N -2.88 1.63 0.01 -3.56 -4.36 -1.26 -5.02 121.20 105.75 3h1h s ILE 164 Ca 0.00 -0.88 -0.01 0.00 -0.26 0.00 0.00 60.65 59.50 3h1h s ILE 164 Cb 0.08 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 3h1h s ILE 164 CO 0.79 0.46 0.01 -0.72 0.24 0.00 0.00 174.94 175.72 3h1h s TYR 165 N -0.45 0.17 0.19 1.37 1.13 -1.26 -4.96 117.35 113.54 3h1h s TYR 165 Ca 0.07 -0.35 -0.16 0.00 -1.41 0.00 0.00 57.07 55.23 3h1h s TYR 165 Cb -0.08 -0.13 -0.10 0.00 -1.10 0.00 0.00 41.96 40.55 3h1h s TYR 165 CO -0.01 -0.17 0.19 0.09 -2.51 0.00 0.00 175.55 173.14 3h1h n ASN 166 N 1.86 -1.33 -1.36 -0.18 3.02 -1.26 -0.45 115.26 115.56 3h1h n ASN 166 Ca -0.21 0.62 -0.06 0.00 -0.03 0.00 0.00 54.58 54.89 3h1h n ASN 166 Cb 0.56 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.75 -1.34 0.00 3.52 1.02 -0.11 -4.73 120.64 119.75 3h1h n GLU 167 Ca 0.09 0.36 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 3h1h n GLU 167 Cb 0.21 -4.54 0.07 0.00 -0.02 0.00 0.00 31.44 27.16 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 -1.63 1.52 -3.69 -3.67 3.06 0.40 -4.69 119.36 110.66 3h1h n ILE 168 Ca -0.06 0.38 -0.06 0.00 -2.50 0.00 0.00 62.75 60.51 3h1h n ILE 168 Cb 0.25 -1.33 -0.02 0.00 0.54 0.00 0.00 39.64 39.09 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 -2.85 -0.27 -0.22 9.51 2.34 -1.26 -5.04 118.68 120.90 3h1h s LEU 169 Ca 0.02 -0.32 -0.03 0.00 0.06 0.00 0.00 54.13 53.86 3h1h s LEU 169 Cb 0.02 2.27 0.00 0.00 -0.56 0.00 0.00 46.19 47.93 3h1h s LEU 169 CO 0.05 -0.93 -0.08 -1.61 -1.06 0.00 0.00 176.35 172.72 3h1h s GLU 170 N -3.41 3.22 -0.19 1.48 2.02 -1.26 -4.77 118.70 115.78 3h1h s GLU 170 Ca 0.10 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 3h1h s GLU 170 Cb -0.02 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 3h1h s GLU 170 CO -0.01 -0.23 1.37 0.71 0.02 0.00 0.00 175.26 177.13 3h1h s TYR 171 N 1.42 2.59 -2.00 1.61 4.12 -1.26 -4.84 117.35 118.98 3h1h s TYR 171 Ca 0.05 0.80 0.07 0.00 0.02 0.00 0.00 57.07 58.01 3h1h s TYR 171 Cb -0.14 -3.73 0.40 0.00 -1.52 0.00 0.00 41.96 36.97 3h1h s TYR 171 CO -0.06 -2.15 0.81 -0.40 0.02 0.00 0.00 175.55 173.78 3h1h n ASP 172 N 7.20 0.00 -0.60 2.29 5.68 -1.26 -1.71 116.55 128.16 3h1h n ASP 172 Ca 0.15 -0.58 0.11 0.00 -0.50 0.00 0.00 54.79 53.98 3h1h n ASP 172 Cb 0.45 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.77 2.25 -0.42 -1.12 5.75 -1.26 -4.97 116.55 116.01 3h1h n ASP 173 Ca 0.05 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3h1h n ASP 173 Cb 0.02 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 1.41 0.83 3.42 6.12 0.00 -0.69 -5.08 105.19 111.19 3h1h n GLY 174 Ca 0.10 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.56 3.30 -0.76 2.61 2.01 -1.25 -5.04 115.64 113.95 3h1h s THR 175 Ca 0.00 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 3h1h s THR 175 Cb 0.00 -2.39 -0.16 0.00 0.01 0.00 0.00 72.50 69.95 3h1h s THR 175 CO 0.00 0.52 2.41 -2.65 -0.69 0.00 0.00 174.62 174.22 3h1h n PRO 176 N 3.40 0.54 -0.25 4.92 -0.02 -1.26 -4.37 135.00 137.97 3h1h n PRO 176 Ca -0.18 -0.34 -0.05 0.00 -2.02 0.00 0.00 63.50 60.91 3h1h n PRO 176 Cb 0.53 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.08 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 14.66 2.29 -1.78 3.55 0.00 -1.26 -4.79 120.51 133.19 3h1h n ALA 177 Ca 0.50 -0.55 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 3h1h n ALA 177 Cb 0.37 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 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 3.29 3.40 0.29 0.00 -4.23 -1.26 -0.94 115.64 116.18 3h1h s THR 178 Ca 0.15 1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3h1h s THR 178 Cb 0.06 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.72 3h1h s THR 178 CO -0.01 -0.02 1.61 -0.03 -0.54 0.00 0.00 174.62 175.63 3h1h h MET 179 N 2.18 0.09 -0.41 3.99 1.85 -1.90 0.18 114.93 120.91 3h1h h MET 179 Ca -0.49 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.49 3h1h h MET 179 Cb 1.23 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 3h1h h MET 179 CO 0.61 0.06 -0.16 0.66 -0.40 0.00 0.00 176.91 177.68 3h1h h SER 180 N 0.09 0.77 -0.68 1.39 4.64 -1.96 -2.07 113.55 115.73 3h1h h SER 180 Ca 0.54 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.64 3h1h h SER 180 Cb 1.06 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3h1h h SER 180 CO -0.77 0.94 0.42 -0.61 -0.87 0.00 0.00 176.83 175.94 3h1h h GLN 181 N 0.69 0.80 0.13 4.77 5.75 -0.97 -0.67 115.11 125.62 3h1h h GLN 181 Ca 0.11 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3h1h h GLN 181 Cb 0.65 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 3h1h h GLN 181 CO 0.05 0.53 -0.09 0.82 -2.65 0.00 0.00 178.83 177.48 3h1h h ILE 182 N 0.82 0.00 -0.94 2.39 2.04 -1.04 -0.79 117.51 119.99 3h1h h ILE 182 Ca 0.27 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.38 3h1h h ILE 182 Cb 0.03 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 35.94 3h1h h ILE 182 CO -0.11 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.05 3h1h h ALA 183 N -1.73 1.06 0.69 1.87 0.00 -1.28 0.40 119.26 120.27 3h1h h ALA 183 Ca -0.02 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3h1h h ALA 183 Cb 0.17 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h1h h ALA 183 CO 0.01 -0.52 -0.49 -0.22 0.00 0.00 0.00 179.25 178.03 3h1h h LYS 184 N 0.04 -1.08 -0.40 0.00 3.11 -0.96 0.12 116.57 117.39 3h1h h LYS 184 Ca 0.55 0.07 0.07 0.00 -2.81 0.00 0.00 60.65 58.54 3h1h h LYS 184 Cb 1.09 0.25 -0.06 0.00 -1.00 0.00 0.00 32.23 32.51 3h1h h LYS 184 CO -0.87 -0.72 0.04 -0.44 -2.81 0.00 0.00 179.45 174.65 3h1h h ASP 185 N -1.12 -0.07 -0.69 4.20 3.32 0.51 -0.74 116.42 121.83 3h1h h ASP 185 Ca -0.09 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3h1h h ASP 185 Cb 0.92 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3h1h h ASP 185 CO 0.05 -0.00 0.39 1.62 -1.72 0.00 0.00 179.24 179.58 3h1h h VAL 186 N 0.16 1.21 -0.90 -1.35 3.04 -0.93 0.63 116.25 118.11 3h1h h VAL 186 Ca 0.20 -0.51 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 3h1h h VAL 186 Cb 0.26 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 29.79 3h1h h VAL 186 CO -0.29 0.23 0.53 0.00 -1.01 0.00 0.00 177.57 177.02 3h1h h THR 188 N 1.24 1.26 -0.52 0.00 2.02 -0.19 -2.07 112.91 114.66 3h1h h THR 188 Ca 0.32 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3h1h h THR 188 Cb -0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 3h1h h THR 188 CO -0.06 0.28 0.01 0.15 0.37 0.00 0.00 175.52 176.27 3h1h h PHE 189 N 1.27 1.00 -0.38 3.16 3.57 0.47 -2.95 116.94 123.08 3h1h h PHE 189 Ca 0.32 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3h1h h PHE 189 Cb -0.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3h1h h PHE 189 CO 0.01 0.92 0.25 -0.07 -2.23 0.00 0.00 178.31 177.19 3h1h h LEU 190 N 0.79 0.41 0.27 0.59 3.38 -0.13 0.96 115.31 121.58 3h1h h LEU 190 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3h1h h LEU 190 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3h1h h LEU 190 CO 0.03 0.29 -0.13 -0.09 0.09 0.00 0.00 178.44 178.63 3h1h h ARG 191 N 0.48 -0.35 -0.43 1.13 9.65 -1.23 -0.99 114.38 122.63 3h1h h ARG 191 Ca 0.14 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 3h1h h ARG 191 Cb -0.00 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 3h1h h ARG 191 CO -0.03 -0.14 0.21 2.35 2.80 0.00 0.00 179.97 185.16 3h1h h TRP 192 N -0.50 0.39 -0.87 2.20 7.01 -1.17 -1.51 115.95 121.50 3h1h h TRP 192 Ca -0.04 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.05 3h1h h TRP 192 Cb 0.37 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.25 3h1h h TRP 192 CO -0.02 0.20 0.54 0.00 -2.79 0.00 0.00 178.44 176.37 3h1h h ALA 193 N 1.23 1.21 0.00 2.65 0.00 -0.74 -1.34 119.26 122.27 3h1h h ALA 193 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h1h h ALA 193 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h1h h ALA 193 CO -0.13 0.28 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 3h1h h ALA 194 N 1.42 1.17 -0.41 0.00 0.00 -0.18 -3.41 119.26 117.85 3h1h h ALA 194 Ca 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3h1h h ALA 194 Cb 0.19 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 3h1h h ALA 194 CO -0.18 0.11 -0.22 -1.83 0.00 0.00 0.00 179.25 177.12 3h1h s GLU 195 N -4.05 0.43 0.64 0.00 -1.05 -0.56 -4.92 118.70 109.19 3h1h s GLU 195 Ca -0.02 -0.42 0.27 0.00 -0.15 0.00 0.00 54.97 54.65 3h1h s GLU 195 Cb 0.12 -0.02 1.40 0.00 -0.44 0.00 0.00 34.13 35.20 3h1h s GLU 195 CO 0.55 -0.54 1.80 -1.35 0.95 0.00 0.00 175.26 176.68 3h1h h PRO 196 N 4.50 0.00 0.00 -4.83 0.11 -1.63 0.14 132.00 130.28 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 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h1h h PRO 196 CO -0.08 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.86 3h1h n GLU 197 N -3.15 0.17 0.00 1.05 0.00 -1.26 -4.34 120.64 113.11 3h1h n GLU 197 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.51 3h1h n GLU 197 Cb 0.58 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.24 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 -2.10 0.00 0.30 -1.84 -0.00 0.03 0.11 115.22 111.72 3h1h n HIS 198 Ca 0.03 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.04 3h1h n HIS 198 Cb 0.28 -0.15 -0.09 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.22 -0.89 0.26 5.19 -1.86 -1.62 116.42 116.28 3h1h h ASP 199 Ca 0.00 0.09 0.12 0.00 -0.62 0.00 0.00 57.03 56.62 3h1h h ASP 199 Cb 0.00 0.39 -0.07 0.00 0.18 0.00 0.00 39.33 39.84 3h1h h ASP 199 CO 0.00 -0.63 0.57 -0.61 -3.12 0.00 0.00 179.24 175.45 3h1h h GLN 200 N -0.97 0.77 -0.06 3.56 4.15 -1.52 -0.02 115.11 121.02 3h1h h GLN 200 Ca -0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3h1h h GLN 200 Cb 0.83 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 3h1h h GLN 200 CO -0.03 0.51 0.03 -0.09 -1.93 0.00 0.00 178.83 177.33 3h1h h ARG 201 N 0.79 0.07 -0.65 1.69 2.43 0.11 -1.45 114.38 117.38 3h1h h ARG 201 Ca 0.43 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.51 3h1h h ARG 201 Cb 0.55 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3h1h h ARG 201 CO -0.19 0.05 0.07 0.87 -1.51 0.00 0.00 179.97 179.25 3h1h h LYS 202 N 0.07 1.10 -0.59 0.20 1.57 -0.27 -1.29 116.57 117.36 3h1h h LYS 202 Ca 0.02 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3h1h h LYS 202 Cb -0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3h1h h LYS 202 CO -0.01 1.03 0.39 -0.09 -0.57 0.00 0.00 179.45 180.20 3h1h h ARG 203 N 1.02 0.68 -0.21 3.15 2.43 -0.85 -0.46 114.38 120.15 3h1h h ARG 203 Ca 0.19 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3h1h h ARG 203 Cb 0.49 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3h1h h ARG 203 CO 0.02 0.45 -0.16 0.52 -1.51 0.00 0.00 179.97 179.29 3h1h h MET 204 N 0.70 0.47 -0.82 0.20 2.86 -0.71 -2.92 114.93 114.71 3h1h h MET 204 Ca 0.23 -0.23 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 3h1h h MET 204 Cb 0.06 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.61 3h1h h MET 204 CO -0.06 0.79 0.30 0.78 1.06 0.00 0.00 176.91 179.78 3h1h h GLY 205 N 0.15 1.28 0.56 8.32 0.00 0.03 0.36 103.07 113.78 3h1h h GLY 205 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3h1h h GLY 205 CO 0.04 -0.21 -0.46 -2.00 0.00 0.00 0.00 176.54 173.92 3h1h h LEU 206 N 0.37 -1.22 -0.69 3.11 5.85 -1.20 -0.84 115.31 120.70 3h1h h LEU 206 Ca 0.48 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.43 3h1h h LEU 206 Cb 0.85 0.39 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 3h1h h LEU 206 CO -0.50 -0.64 0.18 0.11 -0.34 0.00 0.00 178.44 177.25 3h1h h LYS 207 N -0.99 0.29 -0.19 1.25 1.57 -1.00 -1.31 116.57 116.19 3h1h h LYS 207 Ca -0.07 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3h1h h LYS 207 Cb 0.83 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 3h1h h LYS 207 CO 0.00 0.19 -0.20 1.98 -0.57 0.00 0.00 179.45 180.85 3h1h h MET 208 N 0.30 -0.22 0.40 3.15 4.05 0.01 -0.46 114.93 122.15 3h1h h MET 208 Ca 0.37 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 3h1h h MET 208 Cb 0.59 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3h1h h MET 208 CO -0.45 -0.15 -0.24 -0.07 0.23 0.00 0.00 176.91 176.24 3h1h h LEU 209 N -0.23 -0.59 -0.22 3.39 3.38 -0.10 0.47 115.31 121.42 3h1h h LEU 209 Ca 0.12 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3h1h h LEU 209 Cb 0.41 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3h1h h LEU 209 CO -0.32 -0.38 -0.35 -0.07 0.09 0.00 0.00 178.44 177.40 3h1h h LEU 210 N -0.60 -1.12 -0.07 1.67 3.38 -1.07 0.54 115.31 118.03 3h1h h LEU 210 Ca -0.05 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3h1h h LEU 210 Cb 0.49 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3h1h h LEU 210 CO 0.05 -0.36 0.05 0.40 0.09 0.00 0.00 178.44 178.67 3h1h h ILE 211 N -0.37 1.03 -0.36 1.22 1.08 -1.01 -1.31 117.51 117.79 3h1h h ILE 211 Ca 0.11 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 3h1h h ILE 211 Cb 0.56 0.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.19 3h1h h ILE 211 CO -0.43 0.03 -0.15 -1.28 -0.69 0.00 0.00 178.15 175.63 3h1h h SER 212 N 0.08 -0.51 -0.67 1.72 0.87 0.86 0.62 113.55 116.53 3h1h h SER 212 Ca 0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3h1h h SER 212 Cb 0.01 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3h1h h SER 212 CO -0.01 -0.18 0.42 0.00 -0.53 0.00 0.00 176.83 176.53 3h1h h ALA 213 N 1.21 0.85 0.14 6.23 0.00 0.22 0.11 119.26 128.02 3h1h h ALA 213 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h1h h ALA 213 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h1h h ALA 213 CO -0.41 0.31 -0.07 1.25 0.00 0.00 0.00 179.25 180.33 3h1h h LEU 214 N 0.91 -0.16 -0.59 0.00 5.85 -0.22 -2.39 115.31 118.72 3h1h h LEU 214 Ca 0.24 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3h1h h LEU 214 Cb -0.06 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3h1h h LEU 214 CO -0.05 0.06 0.25 0.25 -0.34 0.00 0.00 178.44 178.61 3h1h h LEU 215 N -0.37 0.80 0.52 2.25 5.85 0.34 -1.98 115.31 122.72 3h1h h LEU 215 Ca -0.02 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3h1h h LEU 215 Cb 0.30 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.12 3h1h h LEU 215 CO 0.03 0.74 -0.25 0.74 -0.34 0.00 0.00 178.44 179.37 3h1h h THR 216 N 0.81 0.49 -0.57 1.05 2.02 -0.79 -1.41 112.91 114.51 3h1h h THR 216 Ca 0.20 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.46 3h1h h THR 216 Cb 0.18 0.50 -0.11 0.00 -1.74 0.00 0.00 68.15 66.98 3h1h h THR 216 CO -0.02 0.00 -0.37 0.28 0.37 0.00 0.00 175.52 175.79 3h1h h SER 217 N -0.70 -1.26 -0.10 4.18 0.02 -1.33 0.72 113.55 115.08 3h1h h SER 217 Ca -0.07 0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3h1h h SER 217 Cb 0.54 0.60 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 3h1h h SER 217 CO 0.12 -0.32 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.12 3h1h h LEU 218 N -0.19 -0.93 -2.38 5.07 3.38 -1.15 -0.97 115.31 118.15 3h1h h LEU 218 Ca 0.21 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3h1h h LEU 218 Cb 0.56 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3h1h h LEU 218 CO -0.67 -0.35 -0.02 -0.07 0.09 0.00 0.00 178.44 177.42 3h1h h LEU 219 N -0.39 0.00 -0.13 1.67 3.38 -0.11 -1.70 115.31 118.03 3h1h h LEU 219 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 3h1h h LEU 219 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3h1h h LEU 219 CO -0.32 0.02 -0.62 0.22 0.09 0.00 0.00 178.44 177.83 3h1h h TYR 220 N 0.00 0.87 -0.65 1.13 5.03 0.44 -1.33 116.97 122.46 3h1h h TYR 220 Ca -0.00 -0.38 -0.03 0.00 2.58 0.00 0.00 58.73 60.90 3h1h h TYR 220 Cb 0.19 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 3h1h h TYR 220 CO 0.00 1.19 0.30 -0.92 -1.32 0.00 0.00 178.16 177.41 3h1h h TYR 221 N 0.31 0.94 -0.38 -3.82 3.20 -0.77 -0.37 116.97 116.09 3h1h h TYR 221 Ca -0.04 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3h1h h TYR 221 Cb 1.26 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 3h1h h TYR 221 CO 0.10 0.71 0.10 0.52 -1.64 0.00 0.00 178.16 177.95 3h1h h MET 222 N 0.90 0.61 -0.16 1.82 2.86 -1.33 0.33 114.93 119.96 3h1h h MET 222 Ca 0.22 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3h1h h MET 222 Cb 0.13 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3h1h h MET 222 CO -0.03 0.64 0.09 -0.22 1.06 0.00 0.00 176.91 178.45 3h1h h LYS 223 N 0.47 0.19 -0.43 1.72 3.11 -1.00 -1.92 116.57 118.71 3h1h h LYS 223 Ca 0.12 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 3h1h h LYS 223 Cb 0.30 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 3h1h h LYS 223 CO 0.00 0.12 0.21 0.00 -2.81 0.00 0.00 179.45 176.97 3h1h h ARG 224 N 0.19 0.62 -0.95 1.90 2.47 -0.91 -1.77 114.38 115.92 3h1h h ARG 224 Ca 0.06 -0.09 0.12 0.00 -1.26 0.00 0.00 59.98 58.81 3h1h h ARG 224 Cb -0.01 -0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.12 3h1h h ARG 224 CO -0.03 0.53 0.58 1.25 0.56 0.00 0.00 179.97 182.87 3h1h h HIS 225 N 0.55 1.06 0.13 3.04 2.76 -0.05 0.27 115.15 122.92 3h1h h HIS 225 Ca 0.15 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3h1h h HIS 225 Cb 0.11 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.75 3h1h h HIS 225 CO -0.01 0.41 -0.06 0.87 -1.30 0.00 0.00 177.93 177.83 3h1h h LYS 226 N 0.92 -0.17 -0.20 5.26 1.79 -1.18 -3.29 116.57 119.70 3h1h h LYS 226 Ca 0.48 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 59.02 3h1h h LYS 226 Cb 0.48 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3h1h h LYS 226 CO -0.27 0.27 0.16 -1.49 -1.08 0.00 0.00 179.45 177.04 3h1h h TRP 227 N -0.89 0.00 -0.79 -1.35 4.06 -0.99 -2.99 115.95 113.00 3h1h h TRP 227 Ca -0.02 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.12 3h1h h TRP 227 Cb 0.52 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.54 3h1h h TRP 227 CO 0.10 0.00 -0.07 -1.13 -3.56 0.00 0.00 178.44 173.77 3h1h n SER 228 N -4.24 -0.17 -0.38 -3.49 3.41 0.92 0.13 113.62 109.80 3h1h n SER 228 Ca 0.02 1.35 0.30 0.00 -0.26 0.00 0.00 58.87 60.27 3h1h n SER 228 Cb 0.30 -0.45 0.57 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.27 0.02 -3.33 2.07 -1.76 -1.45 116.25 112.08 3h1h h VAL 229 Ca 0.44 -0.08 -0.27 0.00 0.82 0.00 0.00 66.70 67.61 3h1h h VAL 229 Cb 0.81 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3h1h h VAL 229 CO -0.77 0.04 -1.49 0.18 0.02 0.00 0.00 177.57 175.55 3h1h n LEU 230 N -4.77 2.02 -0.33 2.57 4.77 0.34 -3.49 117.00 118.11 3h1h n LEU 230 Ca 0.33 0.37 0.20 0.00 -0.03 0.00 0.00 56.01 56.88 3h1h n LEU 230 Cb 1.17 -0.99 0.41 0.00 -2.33 0.00 0.00 43.42 41.69 3h1h n LEU 230 CO 0.19 0.41 1.09 0.11 -1.33 0.00 0.00 177.39 177.86 3h1h h LYS 231 N -0.80 0.36 0.00 3.23 1.79 -0.28 -0.94 116.57 119.93 3h1h h LYS 231 Ca -0.39 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3h1h h LYS 231 Cb 1.46 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 3h1h h LYS 231 CO -0.17 0.24 -0.89 -1.13 -1.08 0.00 0.00 179.45 176.41 3h1h n SER 232 N -5.04 0.85 -4.50 0.86 3.41 -0.65 -4.99 113.62 103.56 3h1h n SER 232 Ca 0.28 -0.78 -0.48 0.00 -0.26 0.00 0.00 58.87 57.63 3h1h n SER 232 Cb 0.86 0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 65.60 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 -1.52 0.63 -4.84 4.33 0.63 -0.36 -4.98 116.66 110.54 3h1h n ARG 233 Ca 0.04 0.22 -0.25 0.00 -0.92 0.00 0.00 57.85 56.94 3h1h n ARG 233 Cb 0.34 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 31.62 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 -0.96 1.44 0.32 -0.14 1.02 -1.26 -5.05 119.74 115.11 3h1h s LYS 234 Ca 0.66 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.06 3h1h s LYS 234 Cb -0.88 -1.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.99 3h1h s LYS 234 CO 0.57 0.37 0.08 0.00 -0.92 0.00 0.00 175.35 175.44 3h1h s MET 235 N -0.38 1.63 -0.01 1.68 0.23 -1.26 -5.17 119.30 116.02 3h1h s MET 235 Ca 0.06 -1.91 -0.26 0.00 -1.03 0.00 0.00 55.69 52.55 3h1h s MET 235 Cb -0.07 -0.70 0.06 0.00 -1.53 0.00 0.00 34.83 32.59 3h1h s MET 235 CO -0.00 -0.25 0.57 0.00 -2.03 0.00 0.00 175.02 173.31 3h1h s ALA 236 N -3.39 -1.48 -0.31 3.16 0.00 -1.26 -5.14 121.76 113.34 3h1h s ALA 236 Ca 0.35 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 3h1h s ALA 236 Cb 0.08 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3h1h s ALA 236 CO 0.15 -0.41 0.13 -0.47 0.00 0.00 0.00 175.76 175.16 3h1h s TYR 237 N -1.69 3.18 -0.59 0.00 5.04 -1.26 -5.03 117.35 117.00 3h1h s TYR 237 Ca -0.09 -0.75 0.06 0.00 -2.44 0.00 0.00 57.07 53.85 3h1h s TYR 237 Cb -0.01 -2.33 0.30 0.00 0.35 0.00 0.00 41.96 40.27 3h1h s TYR 237 CO 0.05 -0.52 0.85 0.54 -1.34 0.00 0.00 175.55 175.13 3h1h n ARG 238 N 4.95 2.80 -1.08 4.97 5.12 -1.26 -5.10 116.66 127.05 3h1h n ARG 238 Ca -0.14 -4.69 -0.32 0.00 -1.93 0.00 0.00 57.85 50.77 3h1h n ARG 238 Cb 0.48 -2.20 0.13 0.00 -1.16 0.00 0.00 32.46 29.71 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 -2.96 1.64 0.21 5.56 0.04 -1.26 -4.89 135.00 133.33 3h1h s PRO 239 Ca 0.45 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 3h1h s PRO 239 Cb 0.23 -1.79 0.29 0.00 0.04 0.00 0.00 34.50 33.26 3h1h s PRO 239 CO -0.08 -2.18 1.70 -1.35 0.04 0.00 0.00 177.00 175.12 3h1h h PRO 240 N -1.11 0.22 0.00 0.56 0.11 -2.07 -3.57 132.00 126.13 3h1h h PRO 240 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h1h h PRO 240 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h1h h PRO 240 CO 0.46 0.14 0.00 1.17 -0.21 0.00 0.00 178.00 179.57