#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n GLU 2 N 0.00 3.00 -5.08 1.61 2.13 -1.26 -4.83 120.64 116.21 3h1j n GLU 2 Ca 0.00 -2.04 -0.28 0.00 0.66 0.00 0.00 57.16 55.50 3h1j n GLU 2 Cb 0.00 -1.74 -0.16 0.00 0.27 0.00 0.00 31.44 29.81 3h1j n GLU 2 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3h1j s LEU 3 N -1.49 2.03 -0.00 4.31 2.34 -1.26 -5.14 118.68 119.48 3h1j s LEU 3 Ca 0.36 -0.41 -0.03 0.00 0.06 0.00 0.00 54.13 54.12 3h1j s LEU 3 Cb 0.24 -1.15 -0.00 0.00 -0.56 0.00 0.00 46.19 44.72 3h1j s LEU 3 CO 0.17 0.26 0.05 -1.83 -1.06 0.00 0.00 176.35 173.94 3h1j s GLU 4 N -0.42 0.28 -0.44 1.48 -1.05 -1.26 -4.83 118.70 112.47 3h1j s GLU 4 Ca 0.06 -0.30 -0.17 0.00 -0.15 0.00 0.00 54.97 54.41 3h1j s GLU 4 Cb -0.09 0.11 0.03 0.00 -0.44 0.00 0.00 34.13 33.74 3h1j s GLU 4 CO -0.00 -0.05 0.44 -1.17 0.95 0.00 0.00 175.26 175.43 3h1j s LEU 5 N -0.90 4.98 0.21 1.83 2.96 -1.26 -5.06 118.68 121.43 3h1j s LEU 5 Ca -0.10 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 3h1j s LEU 5 Cb -0.06 -2.35 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 3h1j s LEU 5 CO 0.00 -0.61 0.99 -1.00 -1.32 0.00 0.00 176.35 174.41 3h1j s HIS 6 N 2.10 3.83 0.81 5.38 3.76 -1.26 -4.66 115.29 125.25 3h1j s HIS 6 Ca 0.11 1.81 -0.11 0.00 -0.15 0.00 0.00 55.06 56.73 3h1j s HIS 6 Cb -0.18 -3.09 0.08 0.00 1.11 0.00 0.00 32.58 30.50 3h1j s HIS 6 CO 0.12 0.09 1.10 -1.25 -0.85 0.00 0.00 174.74 173.96 3h1j s PRO 7 N -0.81 1.95 0.71 8.40 0.04 -1.26 -5.06 135.00 138.97 3h1j s PRO 7 Ca 0.44 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 3h1j s PRO 7 Cb -0.27 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.58 3h1j s PRO 7 CO 0.33 -1.87 0.97 -0.35 0.04 0.00 0.00 177.00 176.12 3h1j n PRO 8 N -3.68 -0.91 -3.88 0.56 -0.04 -1.26 -4.99 135.00 120.80 3h1j n PRO 8 Ca 0.09 -1.54 -0.34 0.00 -0.04 0.00 0.00 63.50 61.68 3h1j n PRO 8 Cb 0.53 -0.98 -0.13 0.00 -0.04 0.00 0.00 33.50 32.88 3h1j n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j s ALA 9 N -3.94 3.12 0.37 0.55 0.00 -1.26 -4.81 121.76 115.80 3h1j s ALA 9 Ca 0.55 -2.70 -0.25 0.00 0.00 0.00 0.00 51.96 49.56 3h1j s ALA 9 Cb -0.02 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 3h1j s ALA 9 CO 0.39 -1.82 1.04 -0.06 0.00 0.00 0.00 175.76 175.31 3h1j s PHE 10 N 0.76 3.36 -1.42 0.00 0.40 -1.26 -4.94 117.98 114.88 3h1j s PHE 10 Ca 0.11 1.67 -0.12 0.00 -0.60 0.00 0.00 56.93 57.99 3h1j s PHE 10 Cb -0.21 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 3h1j s PHE 10 CO -0.05 -0.52 2.49 -0.35 0.70 0.00 0.00 175.22 177.49 3h1j n PRO 11 N 0.17 3.01 -1.72 0.24 -0.04 -1.26 -4.98 135.00 130.43 3h1j n PRO 11 Ca 0.04 -2.27 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 3h1j n PRO 11 Cb 0.49 -2.99 -0.01 0.00 -0.04 0.00 0.00 33.50 30.95 3h1j n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h1j n TRP 12 N 5.03 2.55 0.09 0.54 7.02 -1.26 -4.81 117.44 126.60 3h1j n TRP 12 Ca 0.62 0.46 0.01 0.00 -1.02 0.00 0.00 57.50 57.57 3h1j n TRP 12 Cb 0.30 -2.48 0.06 0.00 -2.42 0.00 0.00 31.31 26.77 3h1j n TRP 12 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3h1j n SER 13 N 1.09 0.00 -0.41 -0.99 3.41 -1.26 -0.80 113.62 114.66 3h1j n SER 13 Ca 0.05 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3h1j n SER 13 Cb 0.36 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 63.95 3h1j n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1j n HIS 14 N -1.45 0.22 -0.10 7.33 1.44 -1.24 -4.46 115.22 116.96 3h1j n HIS 14 Ca 0.01 -0.34 -0.01 0.00 -2.01 0.00 0.00 57.72 55.37 3h1j n HIS 14 Cb 0.03 -0.02 0.25 0.00 0.12 0.00 0.00 29.99 30.36 3h1j n HIS 14 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3h1j h GLY 15 N 1.46 0.80 -3.78 -1.39 0.00 -1.21 -3.44 103.07 95.51 3h1j h GLY 15 Ca 0.00 -0.42 -0.52 0.00 0.00 0.00 0.00 47.33 46.39 3h1j h GLY 15 CO 0.00 0.40 0.62 -0.32 0.00 0.00 0.00 176.54 177.24 3h1j s GLY 16 N -3.65 2.99 0.61 4.60 0.00 -1.26 -4.90 107.32 105.70 3h1j s GLY 16 Ca -0.09 1.24 0.22 0.00 0.00 0.00 0.00 44.72 46.09 3h1j s GLY 16 CO 0.78 1.87 1.67 -0.56 0.00 0.00 0.00 173.10 176.86 3h1j h PRO 17 N 3.26 0.00 -0.02 2.90 0.13 -2.00 0.68 132.00 136.95 3h1j h PRO 17 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h1j h PRO 17 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3h1j h PRO 17 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 3h1j n LEU 18 N -2.69 1.59 -4.55 1.56 4.77 -1.26 -4.81 117.00 111.61 3h1j n LEU 18 Ca -0.01 -1.47 -0.43 0.00 -0.03 0.00 0.00 56.01 54.07 3h1j n LEU 18 Cb 0.48 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3h1j n LEU 18 CO 0.10 0.39 0.53 -0.44 -1.33 0.00 0.00 177.39 176.64 3h1j s SER 19 N -0.53 6.44 1.21 -1.43 0.01 0.24 -4.97 113.70 114.66 3h1j s SER 19 Ca 0.02 0.02 -0.20 0.00 1.31 0.00 0.00 55.95 57.10 3h1j s SER 19 Cb 0.01 -2.38 0.29 0.00 0.21 0.00 0.00 66.02 64.16 3h1j s SER 19 CO 0.02 -0.82 1.12 0.00 0.41 0.00 0.00 173.24 173.97 3h1j s ALA 20 N 3.14 0.68 0.39 1.44 0.00 -1.26 -4.49 121.76 121.65 3h1j s ALA 20 Ca 0.29 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 3h1j s ALA 20 Cb -0.13 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 3h1j s ALA 20 CO 0.20 -3.59 0.76 -0.51 0.00 0.00 0.00 175.76 172.62 3h1j s LEU 21 N -6.92 3.88 -0.77 0.00 1.43 -1.26 -3.64 118.68 111.39 3h1j s LEU 21 Ca 0.72 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.75 3h1j s LEU 21 Cb -0.08 -4.02 0.09 0.00 0.03 0.00 0.00 46.19 42.20 3h1j s LEU 21 CO 0.56 -0.36 1.06 -0.62 0.23 0.00 0.00 176.35 177.22 3h1j s ASP 22 N -2.99 6.33 0.55 2.29 2.15 -1.26 -4.88 116.67 118.86 3h1j s ASP 22 Ca 0.52 -1.33 0.25 0.00 0.43 0.00 0.00 52.55 52.43 3h1j s ASP 22 Cb -0.10 -2.43 1.46 0.00 -0.30 0.00 0.00 42.92 41.54 3h1j s ASP 22 CO 0.29 -1.35 2.03 0.45 -0.17 0.00 0.00 175.17 176.42 3h1j h HIS 23 N 9.38 0.00 -0.12 -5.34 3.86 -1.94 -0.52 115.15 120.47 3h1j h HIS 23 Ca -0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3h1j h HIS 23 Cb 1.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 3h1j h HIS 23 CO 1.06 0.00 0.04 0.77 0.86 0.00 0.00 177.93 180.66 3h1j h SER 24 N 0.00 0.18 0.49 2.45 0.02 -1.91 0.13 113.55 114.91 3h1j h SER 24 Ca 0.18 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3h1j h SER 24 Cb 0.79 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3h1j h SER 24 CO -0.00 0.33 -0.30 -1.28 -1.14 0.00 0.00 176.83 174.44 3h1j h SER 25 N 0.02 0.00 0.07 3.07 0.87 -1.54 -1.47 113.55 114.57 3h1j h SER 25 Ca 0.04 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.40 3h1j h SER 25 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3h1j h SER 25 CO -0.00 0.30 -0.73 0.58 -0.53 0.00 0.00 176.83 176.45 3h1j h VAL 26 N 0.00 1.33 -0.16 2.23 2.07 -0.71 -0.28 116.25 120.73 3h1j h VAL 26 Ca -0.00 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 3h1j h VAL 26 Cb 0.63 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3h1j h VAL 26 CO 0.04 0.63 0.10 -0.09 0.02 0.00 0.00 177.57 178.27 3h1j h ARG 27 N 0.40 0.22 0.40 1.57 2.43 -0.20 -1.93 114.38 117.27 3h1j h ARG 27 Ca -0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3h1j h ARG 27 Cb 1.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3h1j h ARG 27 CO 0.14 0.19 -0.36 0.00 -1.51 0.00 0.00 179.97 178.43 3h1j h ARG 28 N 0.19 -0.74 -0.98 0.20 3.08 -1.16 -2.42 114.38 112.55 3h1j h ARG 28 Ca 0.06 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.42 3h1j h ARG 28 Cb 0.03 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.11 3h1j h ARG 28 CO -0.01 -0.49 0.54 0.78 -1.07 0.00 0.00 179.97 179.72 3h1j h GLY 29 N -0.77 1.87 0.13 0.04 0.00 -0.88 0.54 103.07 104.00 3h1j h GLY 29 Ca -0.03 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.09 3h1j h GLY 29 CO -0.04 -0.32 -0.32 -2.75 0.00 0.00 0.00 176.54 173.11 3h1j h PHE 30 N 0.47 -0.90 -0.55 5.60 3.57 -0.84 1.00 116.94 125.30 3h1j h PHE 30 Ca 0.65 0.04 0.11 0.00 3.53 0.00 0.00 57.97 62.30 3h1j h PHE 30 Cb 1.31 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 40.37 3h1j h PHE 30 CO -0.04 -0.40 -0.00 0.37 -2.23 0.00 0.00 178.31 176.01 3h1j h GLN 31 N -0.39 0.11 -0.69 1.11 4.15 -0.78 0.70 115.11 119.32 3h1j h GLN 31 Ca 0.10 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.58 3h1j h GLN 31 Cb 0.55 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 3h1j h GLN 31 CO -0.37 0.07 0.39 0.28 -1.93 0.00 0.00 178.83 177.28 3h1j h VAL 32 N 0.12 0.97 0.07 2.39 2.07 -0.72 0.66 116.25 121.80 3h1j h VAL 32 Ca 0.28 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3h1j h VAL 32 Cb 0.43 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3h1j h VAL 32 CO -0.46 0.13 -0.03 0.22 0.02 0.00 0.00 177.57 177.45 3h1j h TYR 33 N 0.71 -0.08 0.57 1.57 3.20 0.15 -0.71 116.97 122.38 3h1j h TYR 33 Ca 0.31 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 3h1j h TYR 33 Cb 0.20 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3h1j h TYR 33 CO -0.07 0.20 -0.38 -0.22 -1.64 0.00 0.00 178.16 176.05 3h1j h LYS 34 N -0.37 -0.88 -0.00 1.82 3.64 0.84 0.72 116.57 122.34 3h1j h LYS 34 Ca -0.01 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3h1j h LYS 34 Cb 0.32 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3h1j h LYS 34 CO 0.02 -0.58 -0.03 1.04 -2.27 0.00 0.00 179.45 177.62 3h1j n GLN 35 N -5.51 0.21 0.09 1.90 6.02 0.23 -4.32 117.38 116.00 3h1j n GLN 35 Ca -0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 3h1j n GLN 35 Cb 0.40 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3h1j n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1j n VAL 36 N -1.38 0.42 -0.07 5.09 0.31 -0.31 -4.94 118.33 117.46 3h1j n VAL 36 Ca 0.10 0.14 -0.15 0.00 -0.01 0.00 0.00 64.34 64.42 3h1j n VAL 36 Cb 0.30 -0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 3h1j n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1j h SER 38 N 0.45 0.00 0.28 0.00 4.64 0.27 0.66 113.55 119.85 3h1j h SER 38 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3h1j h SER 38 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3h1j h SER 38 CO 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3h1j h ALA 39 N 1.21 1.00 0.00 5.18 0.00 -1.81 -3.28 119.26 121.55 3h1j h ALA 39 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h1j h ALA 39 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h1j h ALA 39 CO -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.25 3h1j s HIS 41 N -0.00 2.85 0.18 0.00 3.76 -0.05 -4.67 115.29 117.35 3h1j s HIS 41 Ca 0.00 -0.50 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 3h1j s HIS 41 Cb 0.00 -1.84 -0.07 0.00 1.11 0.00 0.00 32.58 31.79 3h1j s HIS 41 CO 0.00 -0.11 0.50 -1.54 -0.85 0.00 0.00 174.74 172.73 3h1j s SER 42 N 0.19 6.64 -0.49 1.40 1.04 -1.26 -4.21 113.70 117.01 3h1j s SER 42 Ca -0.07 0.87 0.08 0.00 0.48 0.00 0.00 55.95 57.31 3h1j s SER 42 Cb -0.15 -2.21 0.28 0.00 0.10 0.00 0.00 66.02 64.05 3h1j s SER 42 CO 0.05 0.02 0.68 0.80 0.98 0.00 0.00 173.24 175.77 3h1j n MET 43 N 0.23 1.64 0.09 4.02 0.00 -1.26 -0.76 117.12 121.08 3h1j n MET 43 Ca -0.02 -3.90 0.19 0.00 0.00 0.00 0.00 57.70 53.97 3h1j n MET 43 Cb 0.52 -1.75 0.75 0.00 0.00 0.00 0.00 33.22 32.74 3h1j n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1j h ASP 44 N 3.74 0.00 -0.54 6.12 3.32 -1.95 -2.80 116.42 124.30 3h1j h ASP 44 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h1j h ASP 44 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3h1j h ASP 44 CO 0.63 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.93 3h1j n TYR 45 N -3.96 0.87 -4.82 4.55 4.02 -1.26 -4.77 117.16 111.78 3h1j n TYR 45 Ca 0.07 -0.40 -0.28 0.00 -0.01 0.00 0.00 57.90 57.27 3h1j n TYR 45 Cb 0.54 -0.06 -0.15 0.00 -0.02 0.00 0.00 39.34 39.65 3h1j n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1j s VAL 46 N -1.41 1.95 0.16 -0.72 1.01 -1.06 -5.06 120.40 115.28 3h1j s VAL 46 Ca 0.38 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3h1j s VAL 46 Cb 0.21 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3h1j s VAL 46 CO 0.23 0.32 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 3h1j s ALA 47 N -0.79 1.82 0.56 5.51 0.00 -1.26 -0.82 121.76 126.78 3h1j s ALA 47 Ca 0.10 -1.49 0.27 0.00 0.00 0.00 0.00 51.96 50.85 3h1j s ALA 47 Cb -0.09 -0.10 1.49 0.00 0.00 0.00 0.00 23.12 24.41 3h1j s ALA 47 CO 0.02 0.12 1.99 0.74 0.00 0.00 0.00 175.76 178.62 3h1j h PHE 48 N 3.07 0.00 -0.16 0.00 -1.00 -1.59 0.33 116.94 117.60 3h1j h PHE 48 Ca -0.40 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.28 3h1j h PHE 48 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 3h1j h PHE 48 CO 0.68 0.00 -0.34 0.07 -1.61 0.00 0.00 178.31 177.11 3h1j h ARG 49 N 0.00 0.32 -0.16 1.51 0.11 -1.29 -2.71 114.38 112.16 3h1j h ARG 49 Ca 0.20 -0.14 0.05 0.00 0.10 0.00 0.00 59.98 60.19 3h1j h ARG 49 Cb 0.95 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 3h1j h ARG 49 CO -0.00 0.63 0.15 -0.91 0.10 0.00 0.00 179.97 179.93 3h1j h ASN 50 N 0.28 0.00 -0.25 0.08 2.35 -0.61 -1.81 115.58 115.61 3h1j h ASN 50 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 3h1j h ASN 50 Cb 0.74 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 3h1j h ASN 50 CO 0.06 0.00 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.46 3h1j h LEU 51 N 0.00 0.71 -9.15 1.61 3.38 -1.54 -3.42 115.31 106.89 3h1j h LEU 51 Ca 0.08 -0.49 -0.71 0.00 0.09 0.00 0.00 57.88 56.84 3h1j h LEU 51 Cb 0.37 -0.20 0.07 0.00 0.09 0.00 0.00 40.66 40.98 3h1j h LEU 51 CO -0.00 1.06 0.13 -0.38 0.09 0.00 0.00 178.44 179.34 3h1j n ILE 52 N -4.28 0.47 -0.75 1.22 5.41 -0.68 -0.44 119.36 120.31 3h1j n ILE 52 Ca -0.05 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3h1j n ILE 52 Cb 0.48 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 3h1j n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1j n GLY 53 N 1.93 0.49 0.76 7.39 0.00 -0.18 -4.71 105.19 110.87 3h1j n GLY 53 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3h1j n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1j n VAL 54 N -2.00 1.10 -0.01 1.61 0.31 0.41 -4.93 118.33 114.82 3h1j n VAL 54 Ca 0.00 0.30 -0.01 0.00 -0.01 0.00 0.00 64.34 64.62 3h1j n VAL 54 Cb 0.00 -1.70 -0.01 0.00 -0.91 0.00 0.00 33.84 31.22 3h1j n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1j n THR 55 N -3.57 0.08 -4.37 2.52 -2.24 -0.49 -4.90 114.28 101.31 3h1j n THR 55 Ca -0.03 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 3h1j n THR 55 Cb 0.13 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.31 3h1j n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1j s HIS 56 N -2.03 1.82 0.67 4.78 4.02 -1.04 -4.88 115.29 118.63 3h1j s HIS 56 Ca -0.01 -0.54 -0.11 0.00 1.02 0.00 0.00 55.06 55.42 3h1j s HIS 56 Cb 0.00 -0.85 -0.01 0.00 -1.02 0.00 0.00 32.58 30.71 3h1j s HIS 56 CO 0.05 0.41 1.06 0.95 1.02 0.00 0.00 174.74 178.23 3h1j s THR 57 N -2.90 4.06 0.16 1.30 -4.23 -1.26 -1.01 115.64 111.76 3h1j s THR 57 Ca 0.24 0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 61.25 3h1j s THR 57 Cb -0.01 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.23 3h1j s THR 57 CO 0.08 -0.88 1.70 -0.08 -0.54 0.00 0.00 174.62 174.91 3h1j h GLU 58 N -0.51 0.07 -0.08 3.99 4.81 -1.95 -1.45 114.58 119.46 3h1j h GLU 58 Ca -0.45 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3h1j h GLU 58 Cb 1.22 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 3h1j h GLU 58 CO 0.63 0.05 -0.26 0.00 -0.73 0.00 0.00 179.01 178.69 3h1j h ALA 59 N 1.31 -0.29 -0.74 2.92 0.00 -1.99 0.35 119.26 120.81 3h1j h ALA 59 Ca 0.17 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.24 3h1j h ALA 59 Cb 0.24 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3h1j h ALA 59 CO -0.30 -0.74 0.26 0.93 0.00 0.00 0.00 179.25 179.40 3h1j h GLU 60 N -0.36 0.37 -0.23 0.00 5.08 -1.83 0.17 114.58 117.79 3h1j h GLU 60 Ca 0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3h1j h GLU 60 Cb 0.48 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3h1j h GLU 60 CO -0.28 0.24 0.05 0.00 -1.00 0.00 0.00 179.01 178.02 3h1j h ALA 61 N 1.57 0.30 -0.33 3.43 0.00 -0.52 -0.19 119.26 123.52 3h1j h ALA 61 Ca 0.41 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3h1j h ALA 61 Cb 0.66 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3h1j h ALA 61 CO -0.44 -0.04 0.06 -0.22 0.00 0.00 0.00 179.25 178.61 3h1j h LYS 62 N 0.19 0.16 0.14 0.00 3.64 0.03 0.27 116.57 120.99 3h1j h LYS 62 Ca 0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3h1j h LYS 62 Cb 0.29 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3h1j h LYS 62 CO 0.00 0.11 -0.45 0.00 -2.27 0.00 0.00 179.45 176.84 3h1j h ALA 63 N 1.25 -0.95 -1.04 5.00 0.00 -0.40 -0.54 119.26 122.58 3h1j h ALA 63 Ca 0.16 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.23 3h1j h ALA 63 Cb 0.18 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 3h1j h ALA 63 CO -0.21 -1.05 0.67 -0.07 0.00 0.00 0.00 179.25 178.58 3h1j h LEU 64 N -0.66 0.47 0.31 0.00 3.38 -0.68 -1.27 115.31 116.86 3h1j h LEU 64 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3h1j h LEU 64 Cb 0.65 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3h1j h LEU 64 CO -0.22 0.08 -0.15 0.00 0.09 0.00 0.00 178.44 178.24 3h1j h ALA 65 N 1.63 -0.41 0.00 1.53 0.00 0.52 -3.12 119.26 119.41 3h1j h ALA 65 Ca 0.61 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3h1j h ALA 65 Cb 1.50 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3h1j h ALA 65 CO -0.32 -0.65 -0.01 0.93 0.00 0.00 0.00 179.25 179.20 3h1j h GLU 66 N -0.58 0.00 0.00 0.00 5.08 0.01 -2.01 114.58 117.08 3h1j h GLU 66 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3h1j h GLU 66 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h1j h GLU 66 CO 0.07 0.01 0.01 0.39 -1.00 0.00 0.00 179.01 178.49 3h1j n GLU 67 N -3.59 0.02 -4.84 2.33 1.02 -1.03 -3.96 120.64 110.59 3h1j n GLU 67 Ca -0.03 0.51 -0.33 0.00 -0.02 0.00 0.00 57.16 57.30 3h1j n GLU 67 Cb 0.10 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 3h1j n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1j s VAL 68 N -3.07 3.10 -0.03 2.62 1.01 -0.76 -5.02 120.40 118.26 3h1j s VAL 68 Ca -0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 3h1j s VAL 68 Cb 0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3h1j s VAL 68 CO 0.03 0.57 0.69 -1.61 0.00 0.00 0.00 175.10 174.78 3h1j s GLU 69 N -0.41 4.43 0.07 2.72 0.41 -1.26 -1.33 118.70 123.33 3h1j s GLU 69 Ca 0.05 0.88 0.09 0.00 -0.41 0.00 0.00 54.97 55.59 3h1j s GLU 69 Cb -0.12 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.79 3h1j s GLU 69 CO 0.02 0.17 -0.25 0.08 -0.49 0.00 0.00 175.26 174.79 3h1j s VAL 70 N 0.42 2.32 -0.19 2.63 1.01 0.31 -4.88 120.40 122.03 3h1j s VAL 70 Ca 0.36 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 3h1j s VAL 70 Cb -0.18 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3h1j s VAL 70 CO 0.19 0.27 0.55 -1.58 0.00 0.00 0.00 175.10 174.52 3h1j s GLN 71 N -1.57 4.21 0.00 2.72 0.74 -1.26 -0.59 119.66 123.91 3h1j s GLN 71 Ca 0.13 0.47 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3h1j s GLN 71 Cb -0.10 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.45 3h1j s GLN 71 CO 0.04 -0.15 0.00 -3.47 -0.55 0.00 0.00 175.29 171.16 3h1j n ASP 72 N 4.76 1.28 0.00 6.67 4.64 0.95 -4.93 116.55 129.92 3h1j n ASP 72 Ca -0.04 -0.65 0.00 0.00 -1.38 0.00 0.00 54.79 52.72 3h1j n ASP 72 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3h1j n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1j n GLY 73 N 3.21 -0.65 3.69 0.27 0.00 -1.26 -1.59 105.19 108.85 3h1j n GLY 73 Ca 0.00 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3h1j n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1j s PRO 74 N 0.00 0.72 0.00 1.61 0.04 -1.26 -5.00 135.00 131.11 3h1j s PRO 74 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3h1j s PRO 74 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 3h1j s PRO 74 CO 0.00 -2.57 0.00 -0.40 0.04 0.00 0.00 177.00 174.07 3h1j n ASP 75 N -4.08 0.00 -0.03 6.66 5.68 0.13 -4.75 116.55 120.15 3h1j n ASP 75 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.35 3h1j n ASP 75 Cb 0.56 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.83 3h1j n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1j h GLU 76 N 0.00 0.60 -0.36 0.11 3.07 -2.02 -1.58 114.58 114.41 3h1j h GLU 76 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3h1j h GLU 76 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3h1j h GLU 76 CO 0.00 0.57 0.00 0.09 -1.40 0.00 0.00 179.01 178.27 3h1j n ASN 77 N -4.31 2.72 -1.05 1.42 3.02 -1.26 -4.91 115.26 110.89 3h1j n ASN 77 Ca 0.02 -1.90 -0.05 0.00 -0.03 0.00 0.00 54.58 52.61 3h1j n ASN 77 Cb 0.21 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3h1j n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1j n GLY 78 N 1.34 0.50 3.72 7.41 0.00 -0.59 -5.04 105.19 112.52 3h1j n GLY 78 Ca 0.18 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3h1j n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1j s GLU 79 N -5.03 2.84 0.80 1.61 0.41 -1.26 -4.64 118.70 113.42 3h1j s GLU 79 Ca 0.10 -0.61 -0.10 0.00 -0.41 0.00 0.00 54.97 53.95 3h1j s GLU 79 Cb -0.04 -2.71 0.11 0.00 -1.78 0.00 0.00 34.13 29.70 3h1j s GLU 79 CO 0.13 0.62 1.14 -0.51 -0.49 0.00 0.00 175.26 176.14 3h1j s LEU 80 N -1.76 2.72 -0.22 1.80 1.43 -1.26 0.22 118.68 121.60 3h1j s LEU 80 Ca 0.22 0.43 -0.35 0.00 -1.03 0.00 0.00 54.13 53.39 3h1j s LEU 80 Cb -0.12 -2.85 0.15 0.00 0.03 0.00 0.00 46.19 43.40 3h1j s LEU 80 CO 0.13 -1.99 1.26 0.72 0.23 0.00 0.00 176.35 176.69 3h1j s PHE 81 N -3.49 -0.10 0.60 0.29 -0.12 -0.62 -4.87 117.98 109.67 3h1j s PHE 81 Ca 0.65 0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 57.55 3h1j s PHE 81 Cb -0.09 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 3h1j s PHE 81 CO 0.48 -0.15 0.92 -1.64 -0.05 0.00 0.00 175.22 174.78 3h1j s MET 82 N -2.12 2.88 -0.04 1.99 -1.94 -1.26 -0.04 119.30 118.78 3h1j s MET 82 Ca 0.09 0.01 -0.29 0.00 -1.71 0.00 0.00 55.69 53.80 3h1j s MET 82 Cb -0.01 -2.25 0.10 0.00 2.01 0.00 0.00 34.83 34.68 3h1j s MET 82 CO -0.04 -0.75 0.88 -0.98 -0.01 0.00 0.00 175.02 174.12 3h1j s ARG 83 N -5.03 0.81 1.12 2.03 1.70 0.24 -4.84 118.95 114.98 3h1j s ARG 83 Ca 0.54 -0.15 -0.12 0.00 -0.47 0.00 0.00 55.73 55.53 3h1j s ARG 83 Cb -0.11 0.37 0.26 0.00 -0.57 0.00 0.00 34.95 34.91 3h1j s ARG 83 CO 0.46 -0.32 1.05 -1.25 -1.08 0.00 0.00 175.30 174.15 3h1j s PRO 84 N -2.49 -0.55 0.40 3.89 0.04 -1.26 0.11 135.00 135.15 3h1j s PRO 84 Ca 0.02 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 3h1j s PRO 84 Cb -0.01 -1.60 -0.07 0.00 0.04 0.00 0.00 34.50 32.87 3h1j s PRO 84 CO -0.05 -3.48 0.78 0.20 0.04 0.00 0.00 177.00 174.49 3h1j s GLY 85 N -2.68 2.00 0.21 0.56 0.00 -0.44 -4.45 107.32 102.51 3h1j s GLY 85 Ca 0.68 -0.14 0.11 0.00 0.00 0.00 0.00 44.72 45.36 3h1j s GLY 85 CO 0.63 0.05 -0.17 0.54 0.00 0.00 0.00 173.10 174.15 3h1j s LYS 86 N -3.76 1.78 0.17 2.90 1.02 -1.26 -3.58 119.74 117.01 3h1j s LYS 86 Ca 0.52 -1.48 0.15 0.00 0.02 0.00 0.00 55.97 55.18 3h1j s LYS 86 Cb -0.10 -1.96 0.72 0.00 -0.52 0.00 0.00 37.83 35.97 3h1j s LYS 86 CO 0.30 0.40 1.45 0.44 -0.92 0.00 0.00 175.35 177.01 3h1j n ILE 87 N -0.05 1.27 0.35 2.17 -5.35 -1.26 -0.97 119.36 115.53 3h1j n ILE 87 Ca -0.10 0.51 0.12 0.00 -0.27 0.00 0.00 62.75 63.01 3h1j n ILE 87 Cb 0.57 -1.46 0.23 0.00 -1.74 0.00 0.00 39.64 37.24 3h1j n ILE 87 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3h1j h SER 88 N 0.00 0.00 -4.28 7.28 4.64 -1.95 -0.19 113.55 119.05 3h1j h SER 88 Ca 0.00 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 3h1j h SER 88 Cb 0.10 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.30 3h1j h SER 88 CO 0.00 0.00 0.35 -1.81 -0.87 0.00 0.00 176.83 174.51 3h1j s ASP 89 N -5.56 5.09 0.42 4.97 1.01 -0.15 -4.87 116.67 117.58 3h1j s ASP 89 Ca 0.08 1.78 0.03 0.00 0.71 0.00 0.00 52.55 55.15 3h1j s ASP 89 Cb 0.08 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 3h1j s ASP 89 CO 0.66 -1.64 0.61 -0.31 0.21 0.00 0.00 175.17 174.70 3h1j s TYR 90 N -2.78 3.12 0.20 4.23 1.51 -1.26 -2.80 117.35 119.56 3h1j s TYR 90 Ca 0.61 0.01 -0.32 0.00 -1.01 0.00 0.00 57.07 56.37 3h1j s TYR 90 Cb -0.16 -2.26 -0.11 0.00 -0.11 0.00 0.00 41.96 39.31 3h1j s TYR 90 CO 0.50 -0.31 1.68 -0.06 -1.11 0.00 0.00 175.55 176.25 3h1j s PHE 91 N -2.44 2.95 0.12 2.71 0.08 -0.00 -4.87 117.98 116.53 3h1j s PHE 91 Ca 0.49 0.43 -0.35 0.00 0.12 0.00 0.00 56.93 57.62 3h1j s PHE 91 Cb -0.10 -4.08 -0.16 0.00 -0.57 0.00 0.00 43.02 38.12 3h1j s PHE 91 CO 0.35 -4.05 1.39 -2.30 -0.10 0.00 0.00 175.22 170.52 3h1j n PRO 92 N 3.96 1.47 -2.76 0.24 -0.02 -1.26 -4.50 135.00 132.12 3h1j n PRO 92 Ca 0.15 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 3h1j n PRO 92 Cb 0.36 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3h1j n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1j s LYS 93 N 0.48 4.47 0.52 -0.52 1.02 -1.26 -4.70 119.74 119.74 3h1j s LYS 93 Ca 0.81 1.30 0.34 0.00 0.02 0.00 0.00 55.97 58.44 3h1j s LYS 93 Cb -0.85 -3.50 1.58 0.00 -0.52 0.00 0.00 37.83 34.53 3h1j s LYS 93 CO 0.45 -0.16 2.02 -1.00 -0.92 0.00 0.00 175.35 175.74 3h1j h PRO 94 N 6.96 0.00 -3.97 -1.68 0.13 -1.85 -3.43 132.00 128.17 3h1j h PRO 94 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 3h1j h PRO 94 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 3h1j h PRO 94 CO 0.80 0.00 -0.69 0.71 -0.23 0.00 0.00 178.00 178.59 3h1j s TYR 95 N -3.73 0.26 -1.34 1.56 1.51 -1.26 -5.01 117.35 109.34 3h1j s TYR 95 Ca -0.00 -0.53 0.23 0.00 -1.01 0.00 0.00 57.07 55.76 3h1j s TYR 95 Cb 0.10 -0.19 1.13 0.00 -0.11 0.00 0.00 41.96 42.89 3h1j s TYR 95 CO 0.46 -0.20 1.76 -0.35 -1.11 0.00 0.00 175.55 176.11 3h1j n PRO 96 N 1.56 0.26 0.00 -1.71 -0.04 -1.26 -4.87 135.00 128.94 3h1j n PRO 96 Ca -0.24 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3h1j n PRO 96 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3h1j n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3h1j n ASN 97 N -1.33 0.00 -0.32 3.54 0.23 -1.26 -5.03 115.26 111.09 3h1j n ASN 97 Ca 0.10 0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.32 3h1j n ASN 97 Cb 0.20 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.26 3h1j n ASN 97 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 3h1j h PRO 98 N 0.00 0.37 -0.67 -0.53 0.13 -1.99 0.23 132.00 129.54 3h1j h PRO 98 Ca 0.00 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.23 3h1j h PRO 98 Cb 0.00 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 30.96 3h1j h PRO 98 CO 0.00 0.25 0.23 0.93 -0.23 0.00 0.00 178.00 179.18 3h1j h GLU 99 N 0.38 0.37 -0.19 0.86 3.07 -1.98 0.51 114.58 117.60 3h1j h GLU 99 Ca 0.62 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.42 3h1j h GLU 99 Cb 1.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3h1j h GLU 99 CO -0.56 0.25 -0.03 0.00 -1.40 0.00 0.00 179.01 177.27 3h1j h ALA 100 N 1.49 0.26 0.47 3.43 0.00 -1.38 -0.12 119.26 123.41 3h1j h ALA 100 Ca 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h1j h ALA 100 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h1j h ALA 100 CO -0.38 0.01 -0.35 0.00 0.00 0.00 0.00 179.25 178.53 3h1j h ALA 101 N 0.75 -0.83 -0.58 0.00 0.00 -0.67 -1.13 119.26 116.80 3h1j h ALA 101 Ca 0.05 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3h1j h ALA 101 Cb 0.45 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3h1j h ALA 101 CO 0.01 -0.99 0.05 0.00 0.00 0.00 0.00 179.25 178.32 3h1j h ARG 102 N -0.81 0.16 -0.93 0.00 3.08 -0.02 0.22 114.38 116.08 3h1j h ARG 102 Ca -0.05 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.20 3h1j h ARG 102 Cb 0.69 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.59 3h1j h ARG 102 CO 0.01 0.11 0.49 0.00 -1.07 0.00 0.00 179.97 179.50 3h1j h ALA 103 N 1.50 1.54 -0.32 0.04 0.00 -0.42 0.15 119.26 121.75 3h1j h ALA 103 Ca 0.30 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3h1j h ALA 103 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h1j h ALA 103 CO -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.57 3h1j n ALA 104 N -2.41 3.15 -2.33 0.00 0.00 0.74 -4.16 120.51 115.50 3h1j n ALA 104 Ca 0.23 -0.98 -0.00 0.00 0.00 0.00 0.00 53.44 52.68 3h1j n ALA 104 Cb 0.62 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3h1j n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1j n ASN 105 N 0.37 0.25 -0.74 0.00 3.02 0.09 -4.99 115.26 113.26 3h1j n ASN 105 Ca 0.15 -2.00 -0.08 0.00 -0.03 0.00 0.00 54.58 52.61 3h1j n ASN 105 Cb 0.71 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 3h1j n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1j n ASN 106 N 0.26 -3.64 0.00 6.41 3.02 -1.15 -2.17 115.26 117.99 3h1j n ASN 106 Ca -0.07 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3h1j n ASN 106 Cb 0.97 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 3h1j n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1j n GLY 107 N -1.64 1.68 3.75 7.41 0.00 0.29 -5.02 105.19 111.67 3h1j n GLY 107 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3h1j n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 108 N -2.44 3.35 -0.39 4.61 0.00 -0.92 -4.79 121.76 121.17 3h1j s ALA 108 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3h1j s ALA 108 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3h1j s ALA 108 CO 0.00 0.01 0.19 -1.17 0.00 0.00 0.00 175.76 174.79 3h1j s LEU 109 N -0.93 4.85 -0.03 0.00 2.96 -1.26 -3.96 118.68 120.32 3h1j s LEU 109 Ca 0.44 -1.46 -0.30 0.00 -0.22 0.00 0.00 54.13 52.60 3h1j s LEU 109 Cb -0.28 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 3h1j s LEU 109 CO 0.35 -0.46 1.68 -2.16 -1.32 0.00 0.00 176.35 174.43 3h1j s PRO 110 N 1.37 4.18 0.69 0.98 0.04 -1.26 -4.97 135.00 136.03 3h1j s PRO 110 Ca 0.02 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 3h1j s PRO 110 Cb -0.22 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.39 3h1j s PRO 110 CO 0.01 -0.83 1.10 -1.25 0.04 0.00 0.00 177.00 176.07 3h1j s PRO 111 N 3.85 2.69 0.09 0.56 0.04 -1.26 -4.81 135.00 136.15 3h1j s PRO 111 Ca 0.75 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 3h1j s PRO 111 Cb -0.35 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 3h1j s PRO 111 CO 0.31 -1.33 1.25 0.34 0.04 0.00 0.00 177.00 177.62 3h1j s ASP 112 N -2.83 7.01 0.00 6.66 -1.08 -1.26 -4.46 116.67 120.71 3h1j s ASP 112 Ca 0.65 2.12 0.29 0.00 -0.52 0.00 0.00 52.55 55.10 3h1j s ASP 112 Cb -0.19 -2.58 1.35 0.00 -1.46 0.00 0.00 42.92 40.04 3h1j s ASP 112 CO 0.45 -0.52 1.92 0.18 0.52 0.00 0.00 175.17 177.73 3h1j n LEU 113 N 3.83 0.57 -0.27 -1.34 4.77 0.06 -4.39 117.00 120.23 3h1j n LEU 113 Ca 0.09 -0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3h1j n LEU 113 Cb 0.45 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3h1j n LEU 113 CO 0.56 0.10 0.61 0.28 -1.33 0.00 0.00 177.39 177.61 3h1j h SER 114 N 0.79 -1.28 -0.47 -1.43 0.02 -1.90 -1.85 113.55 107.44 3h1j h SER 114 Ca 0.00 0.26 -0.29 0.00 -0.84 0.00 0.00 61.79 60.92 3h1j h SER 114 Cb 0.30 0.65 -0.18 0.00 0.14 0.00 0.00 62.40 63.30 3h1j h SER 114 CO 0.00 -0.30 -0.17 -1.22 -1.14 0.00 0.00 176.83 174.00 3h1j n TYR 115 N -5.45 1.56 -0.05 3.45 4.02 -1.26 -2.71 117.16 116.73 3h1j n TYR 115 Ca 0.06 -1.87 -0.10 0.00 -0.01 0.00 0.00 57.90 55.98 3h1j n TYR 115 Cb 0.37 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.11 3h1j n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1j h ILE 116 N 1.24 1.09 -0.10 -0.72 6.09 -1.54 -1.97 117.51 121.59 3h1j h ILE 116 Ca 0.28 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.54 3h1j h ILE 116 Cb 1.51 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 3h1j h ILE 116 CO 0.56 0.08 0.07 -0.37 -3.07 0.00 0.00 178.15 175.42 3h1j h VAL 117 N 0.23 1.03 0.00 2.19 -1.51 -1.83 -1.43 116.25 114.92 3h1j h VAL 117 Ca 0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3h1j h VAL 117 Cb 0.04 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 3h1j h VAL 117 CO -0.01 0.03 -0.47 0.59 -1.23 0.00 0.00 177.57 176.47 3h1j n ASN 118 N -4.52 0.47 -0.40 4.19 3.02 -1.12 -3.55 115.26 113.35 3h1j n ASN 118 Ca -0.01 -0.18 0.13 0.00 -0.03 0.00 0.00 54.58 54.49 3h1j n ASN 118 Cb 0.08 0.19 0.39 0.00 -0.61 0.00 0.00 39.78 39.83 3h1j n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1j n ALA 119 N -1.52 2.88 -3.42 5.41 0.00 -0.56 -4.85 120.51 118.45 3h1j n ALA 119 Ca 0.05 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 3h1j n ALA 119 Cb 0.34 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.54 3h1j n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1j s ARG 120 N -2.27 0.58 0.18 0.00 1.81 -1.09 -5.07 118.95 113.08 3h1j s ARG 120 Ca 0.29 -0.08 -0.32 0.00 -1.72 0.00 0.00 55.73 53.91 3h1j s ARG 120 Cb 0.20 -0.63 -0.11 0.00 -0.45 0.00 0.00 34.95 33.96 3h1j s ARG 120 CO 0.44 -0.04 1.64 -1.01 -0.68 0.00 0.00 175.30 175.64 3h1j s HIS 121 N 0.65 2.96 0.00 -0.53 3.76 -1.26 -1.45 115.29 119.42 3h1j s HIS 121 Ca -0.08 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 3h1j s HIS 121 Cb -0.11 -4.02 0.00 0.00 1.11 0.00 0.00 32.58 29.56 3h1j s HIS 121 CO -0.00 -3.81 0.00 0.41 -0.85 0.00 0.00 174.74 170.48 3h1j n GLY 122 N 3.86 1.93 7.00 -2.22 0.00 -1.26 -4.71 105.19 109.79 3h1j n GLY 122 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1j n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 123 N -0.10 2.98 0.28 -0.02 0.00 -0.53 -1.33 105.19 106.46 3h1j n GLY 123 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.92 3h1j n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1j h GLU 124 N 0.00 0.31 -0.91 1.61 9.09 -1.91 0.31 114.58 123.08 3h1j h GLU 124 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3h1j h GLU 124 Cb 0.00 -0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 26.99 3h1j h GLU 124 CO 0.00 0.25 0.59 -0.44 0.05 0.00 0.00 179.01 179.46 3h1j h ASP 125 N 0.31 1.06 -0.02 3.06 3.45 -1.53 0.31 116.42 123.08 3h1j h ASP 125 Ca 0.08 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.43 3h1j h ASP 125 Cb 0.04 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3h1j h ASP 125 CO -0.01 0.79 -0.27 0.22 -1.57 0.00 0.00 179.24 178.39 3h1j h TYR 126 N 1.24 0.31 -0.74 4.55 3.20 -0.59 -2.37 116.97 122.57 3h1j h TYR 126 Ca 0.33 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3h1j h TYR 126 Cb -0.12 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 3h1j h TYR 126 CO -0.00 0.92 0.49 0.28 -1.64 0.00 0.00 178.16 178.21 3h1j h VAL 127 N -0.39 1.18 0.47 1.81 2.07 -0.33 -1.61 116.25 119.45 3h1j h VAL 127 Ca -0.03 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3h1j h VAL 127 Cb 0.98 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3h1j h VAL 127 CO 0.05 0.18 -0.23 0.15 0.02 0.00 0.00 177.57 177.75 3h1j h PHE 128 N 0.99 -0.59 -0.78 1.57 3.57 -0.44 -1.64 116.94 119.61 3h1j h PHE 128 Ca 0.27 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.92 3h1j h PHE 128 Cb -0.11 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3h1j h PHE 128 CO -0.02 -0.31 0.52 0.77 -2.23 0.00 0.00 178.31 177.04 3h1j h SER 129 N -0.74 0.39 0.07 0.41 0.02 -1.32 -2.24 113.55 110.14 3h1j h SER 129 Ca -0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3h1j h SER 129 Cb 0.54 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3h1j h SER 129 CO 0.11 0.19 -0.03 0.25 -1.14 0.00 0.00 176.83 176.21 3h1j h LEU 130 N 0.41 -0.08 -1.15 5.07 5.85 -1.10 0.74 115.31 125.05 3h1j h LEU 130 Ca 0.39 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.77 3h1j h LEU 130 Cb 0.91 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3h1j h LEU 130 CO -0.13 0.44 0.60 -0.07 -0.34 0.00 0.00 178.44 178.94 3h1j h LEU 131 N -0.63 0.82 0.00 2.25 3.38 -0.82 -2.92 115.31 117.40 3h1j h LEU 131 Ca -0.01 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 3h1j h LEU 131 Cb 0.53 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3h1j h LEU 131 CO 0.02 0.46 -2.01 0.35 0.09 0.00 0.00 178.44 177.34 3h1j n THR 132 N -4.56 1.08 0.63 0.22 -2.24 -0.89 -4.51 114.28 104.01 3h1j n THR 132 Ca 0.17 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3h1j n THR 132 Cb 0.35 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3h1j n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1j n GLY 133 N 1.55 0.47 3.77 3.38 0.00 0.26 -4.87 105.19 109.75 3h1j n GLY 133 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3h1j n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1j s TYR 134 N -1.23 3.01 0.07 1.61 1.51 -1.25 -4.20 117.35 116.86 3h1j s TYR 134 Ca 0.00 1.55 -0.27 0.00 -1.01 0.00 0.00 57.07 57.34 3h1j s TYR 134 Cb 0.00 -3.38 0.09 0.00 -0.11 0.00 0.00 41.96 38.56 3h1j s TYR 134 CO 0.00 -1.35 1.17 0.00 -1.11 0.00 0.00 175.55 174.26 3h1j s ASP 136 N -3.39 7.05 0.47 0.00 1.01 -1.26 -4.36 116.67 116.19 3h1j s ASP 136 Ca 0.21 1.99 -0.25 0.00 0.71 0.00 0.00 52.55 55.22 3h1j s ASP 136 Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 3h1j s ASP 136 CO 0.01 -0.28 1.39 -2.16 0.21 0.00 0.00 175.17 174.34 3h1j s PRO 137 N -2.18 3.60 0.92 8.23 0.04 -1.26 -5.00 135.00 139.36 3h1j s PRO 137 Ca 0.53 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.78 3h1j s PRO 137 Cb -0.22 -2.57 0.14 0.00 0.04 0.00 0.00 34.50 31.89 3h1j s PRO 137 CO 0.28 -0.86 1.11 -1.25 0.04 0.00 0.00 177.00 176.32 3h1j s PRO 138 N -2.53 1.05 0.20 0.56 0.04 -1.26 -4.89 135.00 128.17 3h1j s PRO 138 Ca 0.63 0.48 -0.33 0.00 0.04 0.00 0.00 61.00 61.82 3h1j s PRO 138 Cb -0.42 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 3h1j s PRO 138 CO 0.53 -2.30 1.53 0.00 0.04 0.00 0.00 177.00 176.80 3h1j n ALA 139 N -3.87 1.45 -0.20 8.56 0.00 -1.26 -2.03 120.51 123.16 3h1j n ALA 139 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3h1j n ALA 139 Cb 0.58 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3h1j n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1j n GLY 140 N 2.95 0.94 3.36 0.00 0.00 -1.26 -5.04 105.19 106.14 3h1j n GLY 140 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3h1j n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1j s VAL 141 N -2.60 4.08 -0.29 1.61 1.01 -0.86 -5.08 120.40 118.27 3h1j s VAL 141 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 3h1j s VAL 141 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3h1j s VAL 141 CO 0.00 0.07 0.13 0.68 0.00 0.00 0.00 175.10 175.98 3h1j s VAL 142 N 1.52 4.51 -0.51 2.92 -7.23 -1.26 -4.69 120.40 115.66 3h1j s VAL 142 Ca 0.03 -0.35 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 3h1j s VAL 142 Cb -0.17 -3.25 0.03 0.00 0.56 0.00 0.00 36.38 33.55 3h1j s VAL 142 CO 0.03 0.14 0.95 -0.69 -0.31 0.00 0.00 175.10 175.23 3h1j s VAL 143 N 1.61 4.40 0.35 1.32 1.01 -1.26 -5.00 120.40 122.84 3h1j s VAL 143 Ca 0.05 0.56 -0.23 0.00 0.00 0.00 0.00 61.98 62.36 3h1j s VAL 143 Cb -0.17 -4.50 -0.16 0.00 0.00 0.00 0.00 36.38 31.56 3h1j s VAL 143 CO 0.06 -0.99 0.23 -1.14 0.00 0.00 0.00 175.10 173.26 3h1j n ARG 144 N 7.38 0.05 -1.66 2.72 0.63 -1.26 -4.75 116.66 119.77 3h1j n ARG 144 Ca 0.04 0.02 -0.44 0.00 -0.92 0.00 0.00 57.85 56.55 3h1j n ARG 144 Cb 0.48 -1.04 -0.04 0.00 0.45 0.00 0.00 32.46 32.31 3h1j n ARG 144 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3h1j n GLU 145 N 1.20 2.61 0.00 -0.14 2.13 -1.26 -1.87 120.64 123.30 3h1j n GLU 145 Ca 0.13 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.89 3h1j n GLU 145 Cb 0.36 -2.92 0.00 0.00 0.27 0.00 0.00 31.44 29.15 3h1j n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1j n GLY 146 N 4.62 2.45 3.85 8.31 0.00 -1.26 -5.08 105.19 118.08 3h1j n GLY 146 Ca 0.22 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3h1j n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1j s LEU 147 N 0.00 4.12 0.21 0.99 1.43 -0.78 -4.84 118.68 119.80 3h1j s LEU 147 Ca 0.00 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 3h1j s LEU 147 Cb 0.00 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 3h1j s LEU 147 CO 0.00 -0.14 -0.02 -1.00 0.23 0.00 0.00 176.35 175.42 3h1j s HIS 148 N -1.89 2.76 0.24 0.29 3.76 0.45 -4.72 115.29 116.19 3h1j s HIS 148 Ca 0.51 -0.18 -0.26 0.00 -0.15 0.00 0.00 55.06 54.97 3h1j s HIS 148 Cb -0.11 -1.30 -0.09 0.00 1.11 0.00 0.00 32.58 32.19 3h1j s HIS 148 CO 0.19 0.55 0.87 -0.47 -0.85 0.00 0.00 174.74 175.03 3h1j s TYR 149 N -1.92 3.84 -0.30 1.40 5.04 -1.26 -1.23 117.35 122.91 3h1j s TYR 149 Ca 0.28 1.74 -0.03 0.00 -2.44 0.00 0.00 57.07 56.62 3h1j s TYR 149 Cb -0.08 -2.86 0.19 0.00 0.35 0.00 0.00 41.96 39.55 3h1j s TYR 149 CO 0.18 0.38 0.68 1.21 -1.34 0.00 0.00 175.55 176.67 3h1j s ASN 150 N -1.36 -1.23 0.49 4.32 3.84 0.94 -3.54 114.94 118.41 3h1j s ASN 150 Ca 0.43 0.75 0.19 0.00 0.21 0.00 0.00 52.86 54.43 3h1j s ASN 150 Cb -0.22 2.02 1.22 0.00 -0.55 0.00 0.00 41.25 43.72 3h1j s ASN 150 CO 0.27 -0.23 2.06 1.55 -2.79 0.00 0.00 177.10 177.96 3h1j h PRO 151 N 8.00 0.00 0.00 0.43 0.13 -1.78 -2.92 132.00 135.86 3h1j h PRO 151 Ca -0.21 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.82 3h1j h PRO 151 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3h1j h PRO 151 CO 0.19 0.12 -0.52 1.88 -0.23 0.00 0.00 178.00 179.44 3h1j h TYR 152 N 0.00 0.00 -3.51 1.56 0.05 -1.84 -3.37 116.97 109.86 3h1j h TYR 152 Ca -0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 3h1j h TYR 152 Cb 0.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3h1j h TYR 152 CO 0.00 0.52 0.41 0.12 -1.05 0.00 0.00 178.16 178.16 3h1j s PHE 153 N -3.32 3.70 -0.10 4.88 5.36 -1.10 -4.82 117.98 122.57 3h1j s PHE 153 Ca 0.01 1.69 -0.30 0.00 -0.96 0.00 0.00 56.93 57.36 3h1j s PHE 153 Cb 0.10 -3.16 -0.08 0.00 -0.34 0.00 0.00 43.02 39.54 3h1j s PHE 153 CO 0.73 -0.19 2.07 -0.35 -1.46 0.00 0.00 175.22 176.02 3h1j n PRO 154 N 2.89 2.31 0.00 10.12 -0.04 -1.26 0.54 135.00 149.56 3h1j n PRO 154 Ca 0.03 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3h1j n PRO 154 Cb 0.48 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 3h1j n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1j n GLY 155 N 5.12 1.68 4.55 0.55 0.00 -1.26 -4.66 105.19 111.17 3h1j n GLY 155 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3h1j n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1j n GLN 156 N -1.45 0.00 -3.61 1.61 3.00 0.19 -4.68 117.38 112.43 3h1j n GLN 156 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 3h1j n GLN 156 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 30.24 27.07 3h1j n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1j s ALA 157 N -1.04 3.65 0.53 -1.58 0.00 -1.26 -0.04 121.76 122.02 3h1j s ALA 157 Ca 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 51.96 48.77 3h1j s ALA 157 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3h1j s ALA 157 CO 0.00 -2.10 0.81 -1.50 0.00 0.00 0.00 175.76 172.96 3h1j s ILE 158 N 0.21 3.87 -1.64 0.00 2.07 -0.37 -4.78 121.20 120.57 3h1j s ILE 158 Ca 0.15 -0.17 0.23 0.00 -1.41 0.00 0.00 60.65 59.46 3h1j s ILE 158 Cb -0.19 -3.49 -0.00 0.00 0.13 0.00 0.00 42.46 38.91 3h1j s ILE 158 CO -0.04 -0.45 1.17 0.61 -1.91 0.00 0.00 174.94 174.32 3h1j n GLY 159 N -2.37 -0.46 3.75 1.50 0.00 -1.26 -0.41 105.19 105.94 3h1j n GLY 159 Ca 0.03 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3h1j n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1j s MET 160 N -2.65 4.14 0.43 1.61 0.00 -1.26 -4.83 119.30 116.73 3h1j s MET 160 Ca 0.17 0.07 -0.18 0.00 0.00 0.00 0.00 55.69 55.75 3h1j s MET 160 Cb 0.18 -3.38 -0.09 0.00 0.00 0.00 0.00 34.83 31.53 3h1j s MET 160 CO 0.64 0.34 0.90 0.00 0.00 0.00 0.00 175.02 176.90 3h1j s ALA 161 N 0.17 3.13 -0.75 4.11 0.00 -1.26 -4.73 121.76 122.43 3h1j s ALA 161 Ca 0.16 0.22 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 3h1j s ALA 161 Cb -0.13 -3.03 -0.17 0.00 0.00 0.00 0.00 23.12 19.79 3h1j s ALA 161 CO 0.04 0.06 2.50 -2.30 0.00 0.00 0.00 175.76 176.07 3h1j n PRO 162 N -0.89 0.34 0.22 0.00 -0.02 -1.26 -4.76 135.00 128.62 3h1j n PRO 162 Ca 0.06 0.04 0.06 0.00 -2.02 0.00 0.00 63.50 61.64 3h1j n PRO 162 Cb 0.54 -2.00 0.51 0.00 -0.02 0.00 0.00 33.50 32.53 3h1j n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1j h PRO 163 N 13.11 0.00 -5.90 0.52 0.13 -1.89 -3.44 132.00 134.52 3h1j h PRO 163 Ca -0.12 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.50 3h1j h PRO 163 Cb 1.32 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.26 3h1j h PRO 163 CO 1.26 0.22 -0.79 0.96 -0.23 0.00 0.00 178.00 179.42 3h1j s ILE 164 N -4.39 1.69 0.10 -3.56 -4.36 -1.26 -5.02 121.20 104.41 3h1j s ILE 164 Ca -0.03 -1.76 -0.20 0.00 -0.26 0.00 0.00 60.65 58.40 3h1j s ILE 164 Cb 0.15 -1.69 0.05 0.00 1.25 0.00 0.00 42.46 42.22 3h1j s ILE 164 CO 0.68 -0.26 0.49 -0.72 0.24 0.00 0.00 174.94 175.37 3h1j s TYR 165 N -1.79 -0.37 0.19 1.37 1.13 -1.26 -4.99 117.35 111.63 3h1j s TYR 165 Ca 0.11 0.22 -0.29 0.00 -1.41 0.00 0.00 57.07 55.70 3h1j s TYR 165 Cb -0.07 0.36 -0.17 0.00 -1.10 0.00 0.00 41.96 40.98 3h1j s TYR 165 CO 0.05 -0.71 0.65 0.09 -2.51 0.00 0.00 175.55 173.12 3h1j n ASN 166 N 0.00 -0.77 -3.19 -0.18 3.02 -1.26 -1.70 115.26 111.17 3h1j n ASN 166 Ca -0.17 1.14 -0.21 0.00 -0.03 0.00 0.00 54.58 55.30 3h1j n ASN 166 Cb 0.63 -0.99 -0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3h1j n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1j n GLU 167 N 1.04 -3.33 0.00 3.52 1.02 0.29 -4.79 120.64 118.39 3h1j n GLU 167 Ca 0.17 0.52 0.11 0.00 -0.02 0.00 0.00 57.16 57.93 3h1j n GLU 167 Cb 0.24 -5.22 0.53 0.00 -0.02 0.00 0.00 31.44 26.97 3h1j n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1j n ILE 168 N -3.88 0.37 -3.83 -3.67 3.06 -0.69 -4.81 119.36 105.91 3h1j n ILE 168 Ca -0.04 0.09 -0.07 0.00 -2.50 0.00 0.00 62.75 60.23 3h1j n ILE 168 Cb 0.56 -0.73 0.02 0.00 0.54 0.00 0.00 39.64 40.03 3h1j n ILE 168 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 3h1j s LEU 169 N -2.67 0.00 -0.27 9.51 2.34 -1.26 -5.05 118.68 121.28 3h1j s LEU 169 Ca 0.18 -0.98 -0.02 0.00 0.06 0.00 0.00 54.13 53.37 3h1j s LEU 169 Cb 0.14 2.59 0.09 0.00 -0.56 0.00 0.00 46.19 48.45 3h1j s LEU 169 CO 0.35 -1.45 0.08 -1.61 -1.06 0.00 0.00 176.35 172.65 3h1j s GLU 170 N -2.27 0.61 -0.23 1.48 2.02 -1.26 -4.80 118.70 114.25 3h1j s GLU 170 Ca 0.18 -0.77 -0.33 0.00 0.02 0.00 0.00 54.97 54.07 3h1j s GLU 170 Cb -0.04 -1.89 -0.10 0.00 0.10 0.00 0.00 34.13 32.20 3h1j s GLU 170 CO 0.09 -0.88 2.08 0.66 0.02 0.00 0.00 175.26 177.23 3h1j n TYR 171 N 4.98 1.96 0.44 1.61 0.53 -1.26 -4.79 117.16 120.63 3h1j n TYR 171 Ca -0.05 0.09 0.01 0.00 -1.02 0.00 0.00 57.90 56.92 3h1j n TYR 171 Cb 0.44 -2.62 0.04 0.00 -1.03 0.00 0.00 39.34 36.16 3h1j n TYR 171 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3h1j n ASP 172 N 9.03 0.00 -0.40 7.72 5.68 -1.26 -0.75 116.55 136.57 3h1j n ASP 172 Ca 0.32 -0.40 0.08 0.00 -0.50 0.00 0.00 54.79 54.29 3h1j n ASP 172 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3h1j n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1j n ASP 173 N -0.60 1.71 0.00 -1.12 5.75 -1.26 -4.98 116.55 116.06 3h1j n ASP 173 Ca 0.01 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 3h1j n ASP 173 Cb 0.00 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3h1j n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1j n GLY 174 N 1.17 0.76 3.73 6.12 0.00 0.07 -5.05 105.19 111.98 3h1j n GLY 174 Ca 0.07 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3h1j n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1j s THR 175 N -2.00 4.41 -0.37 2.61 2.01 -1.25 -4.94 115.64 116.11 3h1j s THR 175 Ca 0.00 1.97 -0.27 0.00 0.31 0.00 0.00 61.69 63.70 3h1j s THR 175 Cb 0.00 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 3h1j s THR 175 CO 0.00 0.29 2.32 -2.84 -0.69 0.00 0.00 174.62 173.70 3h1j s PRO 176 N 0.08 2.57 -0.01 4.92 0.02 -1.26 -4.42 135.00 136.90 3h1j s PRO 176 Ca 0.48 1.69 -0.00 0.00 0.02 0.00 0.00 61.00 63.19 3h1j s PRO 176 Cb -0.24 -4.49 -0.02 0.00 0.02 0.00 0.00 34.50 29.77 3h1j s PRO 176 CO 0.30 -2.75 0.73 0.00 -0.33 0.00 0.00 177.00 174.96 3h1j n ALA 177 N 14.00 1.34 -1.79 -1.55 0.00 -1.26 -4.84 120.51 126.41 3h1j n ALA 177 Ca 0.34 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 3h1j n ALA 177 Cb 0.50 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 3h1j n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1j s THR 178 N 3.03 3.74 0.18 0.00 -4.23 -1.26 -0.55 115.64 116.55 3h1j s THR 178 Ca 0.04 1.15 -0.21 0.00 -1.18 0.00 0.00 61.69 61.48 3h1j s THR 178 Cb 0.02 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.45 3h1j s THR 178 CO -0.00 -0.17 1.60 -0.03 -0.54 0.00 0.00 174.62 175.47 3h1j h MET 179 N 1.78 -0.19 -0.48 3.99 1.85 -1.90 -0.08 114.93 119.89 3h1j h MET 179 Ca -0.49 0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 58.54 3h1j h MET 179 Cb 1.22 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.27 3h1j h MET 179 CO 0.60 -0.13 0.03 0.66 -0.40 0.00 0.00 176.91 177.67 3h1j h SER 180 N -0.20 0.75 -0.59 1.39 4.64 -1.97 -0.95 113.55 116.63 3h1j h SER 180 Ca 0.20 -0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3h1j h SER 180 Cb 0.53 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 3h1j h SER 180 CO -0.59 0.80 0.30 -0.61 -0.87 0.00 0.00 176.83 175.86 3h1j h GLN 181 N 0.74 0.55 0.79 4.77 5.75 -1.54 0.53 115.11 126.71 3h1j h GLN 181 Ca 0.15 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3h1j h GLN 181 Cb 0.41 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.84 3h1j h GLN 181 CO 0.01 0.37 -0.40 0.82 -2.65 0.00 0.00 178.83 176.98 3h1j h ILE 182 N 0.57 0.18 -0.89 2.39 2.04 -0.46 -1.80 117.51 119.55 3h1j h ILE 182 Ca 0.26 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.34 3h1j h ILE 182 Cb 0.18 0.18 -0.12 0.00 -0.74 0.00 0.00 36.82 36.32 3h1j h ILE 182 CO -0.18 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.35 3h1j h ALA 183 N -0.89 1.40 -0.88 1.87 0.00 -0.73 0.97 119.26 121.01 3h1j h ALA 183 Ca -0.11 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h1j h ALA 183 Cb 0.85 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3h1j h ALA 183 CO 0.16 -0.33 0.45 -0.22 0.00 0.00 0.00 179.25 179.31 3h1j h LYS 184 N 0.40 1.24 -0.09 0.00 3.11 -0.64 -0.36 116.57 120.23 3h1j h LYS 184 Ca 0.55 -0.16 -0.10 0.00 -2.81 0.00 0.00 60.65 58.13 3h1j h LYS 184 Cb 1.03 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 3h1j h LYS 184 CO -0.52 0.93 -0.32 -0.44 -2.81 0.00 0.00 179.45 176.29 3h1j h ASP 185 N 1.24 0.44 -0.26 4.20 3.32 0.01 -2.32 116.42 123.04 3h1j h ASP 185 Ca 0.30 -0.62 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 3h1j h ASP 185 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3h1j h ASP 185 CO -0.04 0.99 -0.10 1.62 -1.72 0.00 0.00 179.24 179.98 3h1j h VAL 186 N -0.08 1.25 -0.26 -1.35 3.04 -1.11 0.10 116.25 117.84 3h1j h VAL 186 Ca -0.01 -1.09 -0.03 0.00 -1.01 0.00 0.00 66.70 64.55 3h1j h VAL 186 Cb 0.95 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 3h1j h VAL 186 CO 0.07 0.37 0.03 0.00 -1.01 0.00 0.00 177.57 177.02 3h1j h THR 188 N 0.24 0.99 -0.00 0.00 2.02 -1.05 -1.21 112.91 113.90 3h1j h THR 188 Ca 0.08 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3h1j h THR 188 Cb 0.36 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3h1j h THR 188 CO 0.01 0.12 -0.00 0.15 0.37 0.00 0.00 175.52 176.16 3h1j h PHE 189 N 0.64 0.01 0.00 3.16 3.57 -0.24 -2.99 116.94 121.10 3h1j h PHE 189 Ca 0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3h1j h PHE 189 Cb 0.31 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3h1j h PHE 189 CO -0.00 0.43 0.18 -0.07 -2.23 0.00 0.00 178.31 176.62 3h1j h LEU 190 N -0.41 0.00 0.00 0.59 3.38 0.68 0.91 115.31 120.46 3h1j h LEU 190 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h1j h LEU 190 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3h1j h LEU 190 CO 0.00 0.00 -0.00 -0.09 0.09 0.00 0.00 178.44 178.44 3h1j h ARG 191 N 0.00 -0.00 -0.83 1.13 9.65 -1.24 -2.74 114.38 120.34 3h1j h ARG 191 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3h1j h ARG 191 Cb 0.36 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 3h1j h ARG 191 CO 0.00 0.88 0.54 2.35 2.80 0.00 0.00 179.97 186.54 3h1j h TRP 192 N -0.95 1.02 -0.79 2.20 7.01 -0.96 -1.71 115.95 121.76 3h1j h TRP 192 Ca -0.00 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.06 3h1j h TRP 192 Cb 0.89 -0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 27.56 3h1j h TRP 192 CO 0.24 0.61 0.50 0.00 -2.79 0.00 0.00 178.44 177.01 3h1j h ALA 193 N 1.33 1.05 0.00 2.65 0.00 -0.99 -1.22 119.26 122.08 3h1j h ALA 193 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3h1j h ALA 193 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3h1j h ALA 193 CO -0.09 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3h1j h ALA 194 N 1.34 1.00 -0.65 0.00 0.00 -1.06 -3.42 119.26 116.48 3h1j h ALA 194 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3h1j h ALA 194 Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 3h1j h ALA 194 CO -0.13 0.00 -0.41 -0.85 0.00 0.00 0.00 179.25 177.87 3h1j n GLU 195 N -2.93 0.48 -0.20 0.00 0.28 -0.70 -4.93 120.64 112.64 3h1j n GLU 195 Ca 0.02 -1.71 0.16 0.00 -0.16 0.00 0.00 57.16 55.47 3h1j n GLU 195 Cb 0.39 -1.14 0.49 0.00 1.43 0.00 0.00 31.44 32.61 3h1j n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3h1j h PRO 196 N 4.62 0.44 -0.11 3.44 0.11 -1.50 0.27 132.00 139.27 3h1j h PRO 196 Ca 0.00 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.12 3h1j h PRO 196 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h1j h PRO 196 CO 0.03 0.29 0.13 1.05 -0.21 0.00 0.00 178.00 179.30 3h1j h GLU 197 N 0.46 0.00 -0.06 1.05 9.09 -1.95 -3.31 114.58 119.86 3h1j h GLU 197 Ca 0.41 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.82 3h1j h GLU 197 Cb 0.92 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 3h1j h GLU 197 CO -0.15 0.00 -0.03 1.58 0.05 0.00 0.00 179.01 180.46 3h1j n HIS 198 N -3.73 -0.02 0.15 2.06 -0.00 0.95 0.26 115.22 114.88 3h1j n HIS 198 Ca -0.00 0.07 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 3h1j n HIS 198 Cb 0.23 -0.43 -0.08 0.00 -0.12 0.00 0.00 29.99 29.59 3h1j n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1j h ASP 199 N 0.00 -0.28 -0.57 0.26 5.19 -1.83 -2.31 116.42 116.88 3h1j h ASP 199 Ca 0.01 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 3h1j h ASP 199 Cb 0.02 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 3h1j h ASP 199 CO -0.05 -0.14 0.17 -0.61 -3.12 0.00 0.00 179.24 175.49 3h1j h GLN 200 N -0.39 0.94 -0.80 3.56 4.15 -0.72 -0.54 115.11 121.30 3h1j h GLN 200 Ca -0.03 -0.19 0.14 0.00 0.77 0.00 0.00 58.65 59.34 3h1j h GLN 200 Cb 0.30 -0.14 -0.09 0.00 0.21 0.00 0.00 27.48 27.75 3h1j h GLN 200 CO 0.05 0.82 0.38 -0.09 -1.93 0.00 0.00 178.83 178.07 3h1j h ARG 201 N 0.90 0.54 0.08 1.69 2.43 -0.04 0.10 114.38 120.08 3h1j h ARG 201 Ca 0.20 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 59.05 3h1j h ARG 201 Cb 0.29 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3h1j h ARG 201 CO -0.00 0.36 -1.15 0.87 -1.51 0.00 0.00 179.97 178.53 3h1j h LYS 202 N 0.55 0.65 -0.79 0.20 1.57 -0.87 -2.56 116.57 115.32 3h1j h LYS 202 Ca 0.44 -0.80 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3h1j h LYS 202 Cb 0.62 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3h1j h LYS 202 CO -0.37 1.36 0.52 -0.09 -0.57 0.00 0.00 179.45 180.30 3h1j h ARG 203 N 0.30 0.95 -0.09 3.15 2.43 -0.41 -1.50 114.38 119.21 3h1j h ARG 203 Ca -0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3h1j h ARG 203 Cb 1.82 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 3h1j h ARG 203 CO 0.22 0.63 0.02 0.52 -1.51 0.00 0.00 179.97 179.85 3h1j h MET 204 N 0.98 0.14 -0.85 0.20 2.86 -1.02 -2.66 114.93 114.58 3h1j h MET 204 Ca 0.31 -0.03 0.21 0.00 -2.06 0.00 0.00 59.70 58.13 3h1j h MET 204 Cb 0.02 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.54 3h1j h MET 204 CO -0.09 0.32 0.27 0.78 1.06 0.00 0.00 176.91 179.25 3h1j h GLY 205 N -0.07 1.34 0.78 8.32 0.00 -0.87 0.49 103.07 113.07 3h1j h GLY 205 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3h1j h GLY 205 CO 0.00 -0.30 -0.43 -2.00 0.00 0.00 0.00 176.54 173.81 3h1j h LEU 206 N 0.28 -1.09 -0.66 3.11 5.85 -1.10 0.64 115.31 122.33 3h1j h LEU 206 Ca 0.53 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.41 3h1j h LEU 206 Cb 1.01 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 3h1j h LEU 206 CO -0.59 -0.65 0.28 0.11 -0.34 0.00 0.00 178.44 177.26 3h1j h LYS 207 N -1.02 0.46 0.07 1.25 1.57 -0.83 -2.03 116.57 116.04 3h1j h LYS 207 Ca -0.08 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3h1j h LYS 207 Cb 0.83 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 3h1j h LYS 207 CO 0.06 0.30 -0.40 1.98 -0.57 0.00 0.00 179.45 180.83 3h1j h MET 208 N 0.47 -0.58 -0.47 3.15 4.05 0.40 -0.58 114.93 121.38 3h1j h MET 208 Ca 0.34 0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.87 3h1j h MET 208 Cb 0.41 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 3h1j h MET 208 CO -0.31 -0.38 0.09 -0.07 0.23 0.00 0.00 176.91 176.46 3h1j h LEU 209 N -0.60 -0.01 0.45 3.39 3.38 -0.40 0.38 115.31 121.89 3h1j h LEU 209 Ca 0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3h1j h LEU 209 Cb 0.65 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3h1j h LEU 209 CO -0.27 0.03 -0.44 -0.07 0.09 0.00 0.00 178.44 177.78 3h1j h LEU 210 N 0.22 -1.20 -0.20 1.67 3.38 -0.89 0.04 115.31 118.33 3h1j h LEU 210 Ca 0.23 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3h1j h LEU 210 Cb 0.31 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3h1j h LEU 210 CO -0.31 -0.60 -0.01 0.40 0.09 0.00 0.00 178.44 178.02 3h1j h ILE 211 N -0.90 0.85 -0.93 1.22 1.08 -0.80 -0.85 117.51 117.19 3h1j h ILE 211 Ca -0.04 -0.02 0.20 0.00 -0.39 0.00 0.00 64.86 64.61 3h1j h ILE 211 Cb 0.79 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.26 3h1j h ILE 211 CO -0.06 0.01 0.61 -1.28 -0.69 0.00 0.00 178.15 176.74 3h1j h SER 212 N 0.06 0.46 0.39 1.72 0.87 0.02 0.46 113.55 117.52 3h1j h SER 212 Ca 0.09 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3h1j h SER 212 Cb 0.12 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3h1j h SER 212 CO -0.16 0.18 -0.19 0.00 -0.53 0.00 0.00 176.83 176.13 3h1j h ALA 213 N 1.61 -0.59 -0.58 6.23 0.00 0.01 -0.27 119.26 125.67 3h1j h ALA 213 Ca 0.49 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.40 3h1j h ALA 213 Cb 1.15 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 3h1j h ALA 213 CO -0.21 -0.55 -0.23 1.25 0.00 0.00 0.00 179.25 179.51 3h1j h LEU 214 N -0.99 -0.82 -0.37 0.00 5.85 -0.55 -1.25 115.31 117.18 3h1j h LEU 214 Ca -0.05 0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3h1j h LEU 214 Cb 0.40 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3h1j h LEU 214 CO 0.09 -0.25 -0.18 0.25 -0.34 0.00 0.00 178.44 178.00 3h1j h LEU 215 N -0.09 0.80 -1.40 2.25 5.85 -0.19 -2.07 115.31 120.45 3h1j h LEU 215 Ca 0.26 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3h1j h LEU 215 Cb 0.50 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3h1j h LEU 215 CO -0.64 1.03 0.13 0.74 -0.34 0.00 0.00 178.44 179.36 3h1j h THR 216 N 0.57 1.16 0.62 1.05 2.02 -0.63 -1.17 112.91 116.53 3h1j h THR 216 Ca 0.08 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3h1j h THR 216 Cb 0.73 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3h1j h THR 216 CO 0.06 0.19 -0.30 0.28 0.37 0.00 0.00 175.52 176.12 3h1j h SER 217 N 0.53 -0.71 -1.00 4.18 0.02 -1.10 -1.30 113.55 114.17 3h1j h SER 217 Ca 0.13 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.34 3h1j h SER 217 Cb 0.14 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 62.78 3h1j h SER 217 CO -0.01 -0.38 0.65 -0.07 -1.14 0.00 0.00 176.83 175.87 3h1j h LEU 218 N -1.09 0.46 -0.32 5.07 3.38 -1.25 0.47 115.31 122.03 3h1j h LEU 218 Ca -0.09 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3h1j h LEU 218 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3h1j h LEU 218 CO 0.14 0.13 -0.21 -0.07 0.09 0.00 0.00 178.44 178.52 3h1j h LEU 219 N 0.43 0.00 -0.28 1.67 3.38 -1.16 -1.65 115.31 117.70 3h1j h LEU 219 Ca 0.55 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.32 3h1j h LEU 219 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3h1j h LEU 219 CO -0.26 0.21 -0.80 0.22 0.09 0.00 0.00 178.44 177.91 3h1j h TYR 220 N 0.00 0.71 -0.30 1.13 5.03 0.11 -0.20 116.97 123.46 3h1j h TYR 220 Ca -0.00 -0.33 -0.05 0.00 2.58 0.00 0.00 58.73 60.93 3h1j h TYR 220 Cb 1.05 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 3h1j h TYR 220 CO 0.00 1.12 0.01 -0.92 -1.32 0.00 0.00 178.16 177.05 3h1j h TYR 221 N 0.34 0.57 -0.42 -3.82 3.20 -1.15 -2.02 116.97 113.68 3h1j h TYR 221 Ca -0.05 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3h1j h TYR 221 Cb 1.40 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 3h1j h TYR 221 CO 0.06 0.65 0.20 0.52 -1.64 0.00 0.00 178.16 177.96 3h1j h MET 222 N 0.32 0.60 -0.26 1.82 2.86 -1.20 0.37 114.93 119.44 3h1j h MET 222 Ca 0.09 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h1j h MET 222 Cb 0.42 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3h1j h MET 222 CO 0.01 0.52 0.17 -0.22 1.06 0.00 0.00 176.91 178.45 3h1j h LYS 223 N 0.53 0.34 0.49 1.72 3.11 -0.97 -2.90 116.57 118.89 3h1j h LYS 223 Ca 0.14 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 3h1j h LYS 223 Cb 0.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 3h1j h LYS 223 CO -0.02 0.22 -0.33 0.00 -2.81 0.00 0.00 179.45 176.51 3h1j h ARG 224 N 0.35 -0.77 -0.40 1.90 2.47 -1.18 -2.05 114.38 114.70 3h1j h ARG 224 Ca 0.10 0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.90 3h1j h ARG 224 Cb -0.04 0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 3h1j h ARG 224 CO -0.02 -0.51 -0.24 1.58 0.56 0.00 0.00 179.97 181.34 3h1j n HIS 225 N -5.46 -0.18 -0.29 3.04 -0.00 0.10 -0.11 115.22 112.32 3h1j n HIS 225 Ca -0.11 0.50 0.03 0.00 0.46 0.00 0.00 57.72 58.60 3h1j n HIS 225 Cb 0.36 -0.51 0.17 0.00 -0.12 0.00 0.00 29.99 29.88 3h1j n HIS 225 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3h1j h LYS 226 N 0.00 0.76 0.00 1.57 1.79 -1.50 -1.64 116.57 117.55 3h1j h LYS 226 Ca 0.06 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3h1j h LYS 226 Cb 0.16 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3h1j h LYS 226 CO -0.38 0.51 0.00 -1.49 -1.08 0.00 0.00 179.45 177.01 3h1j h TRP 227 N 0.79 0.00 -0.68 -1.35 4.06 -0.09 -3.24 115.95 115.44 3h1j h TRP 227 Ca 0.40 0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.49 3h1j h TRP 227 Cb 0.36 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.42 3h1j h TRP 227 CO -0.06 0.00 0.10 0.66 -3.56 0.00 0.00 178.44 175.58 3h1j h SER 228 N 0.00 -0.11 -1.01 -3.49 4.64 0.51 0.37 113.55 114.46 3h1j h SER 228 Ca 0.00 0.15 0.42 0.00 -0.47 0.00 0.00 61.79 61.89 3h1j h SER 228 Cb 0.53 0.23 -0.18 0.00 -0.31 0.00 0.00 62.40 62.67 3h1j h SER 228 CO 0.00 -0.07 0.55 0.52 -0.87 0.00 0.00 176.83 176.96 3h1j n VAL 229 N -5.21 -0.41 -0.01 0.95 0.31 -1.22 -0.88 118.33 111.85 3h1j n VAL 229 Ca 0.12 2.02 -0.15 0.00 -0.01 0.00 0.00 64.34 66.31 3h1j n VAL 229 Cb 0.41 -3.28 -0.14 0.00 -0.91 0.00 0.00 33.84 29.92 3h1j n VAL 229 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h1j n LEU 230 N -5.23 1.80 -0.16 7.52 4.77 0.12 -3.45 117.00 122.36 3h1j n LEU 230 Ca 0.38 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.57 3h1j n LEU 230 Cb 1.30 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.90 3h1j n LEU 230 CO 0.02 0.64 1.04 0.11 -1.33 0.00 0.00 177.39 177.86 3h1j h LYS 231 N 0.04 0.65 -0.01 3.23 1.79 0.38 -2.76 116.57 119.88 3h1j h LYS 231 Ca -0.37 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3h1j h LYS 231 Cb 2.03 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 3h1j h LYS 231 CO 0.08 0.48 -0.21 -1.13 -1.08 0.00 0.00 179.45 177.59 3h1j n SER 232 N -4.70 1.04 -4.65 0.86 3.41 -0.73 -4.94 113.62 103.90 3h1j n SER 232 Ca 0.02 -0.94 -0.48 0.00 -0.26 0.00 0.00 58.87 57.20 3h1j n SER 232 Cb 0.06 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3h1j n SER 232 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1j n ARG 233 N -0.57 1.82 -4.67 4.33 0.63 -1.04 -4.98 116.66 112.18 3h1j n ARG 233 Ca 0.13 0.66 -0.32 0.00 -0.92 0.00 0.00 57.85 57.41 3h1j n ARG 233 Cb 0.34 -2.40 -0.12 0.00 0.45 0.00 0.00 32.46 30.73 3h1j n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1j s LYS 234 N 1.19 2.30 0.11 -0.14 1.02 -1.26 -5.05 119.74 117.92 3h1j s LYS 234 Ca 0.82 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 3h1j s LYS 234 Cb -0.78 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 3h1j s LYS 234 CO 0.43 0.58 0.05 0.00 -0.92 0.00 0.00 175.35 175.49 3h1j s MET 235 N -1.26 0.87 -0.02 1.68 0.23 -1.26 -5.17 119.30 114.36 3h1j s MET 235 Ca 0.15 -1.36 -0.21 0.00 -1.03 0.00 0.00 55.69 53.24 3h1j s MET 235 Cb -0.11 0.25 0.04 0.00 -1.53 0.00 0.00 34.83 33.48 3h1j s MET 235 CO 0.05 -0.24 0.45 0.00 -2.03 0.00 0.00 175.02 173.25 3h1j s ALA 236 N -4.01 -1.15 -0.51 3.16 0.00 -1.26 -5.12 121.76 112.87 3h1j s ALA 236 Ca 0.19 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3h1j s ALA 236 Cb 0.07 0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.37 3h1j s ALA 236 CO -0.01 -0.31 0.44 -0.47 0.00 0.00 0.00 175.76 175.41 3h1j s TYR 237 N -1.34 3.28 -0.95 0.00 5.04 -1.26 -4.99 117.35 117.13 3h1j s TYR 237 Ca -0.12 -1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 53.17 3h1j s TYR 237 Cb -0.03 -3.59 0.29 0.00 0.35 0.00 0.00 41.96 38.98 3h1j s TYR 237 CO 0.06 -0.96 1.22 0.54 -1.34 0.00 0.00 175.55 175.06 3h1j n ARG 238 N 5.17 3.78 -0.55 4.97 1.74 -1.26 -5.07 116.66 125.44 3h1j n ARG 238 Ca -0.13 -4.58 -0.29 0.00 -0.77 0.00 0.00 57.85 52.08 3h1j n ARG 238 Cb 0.41 -2.43 0.23 0.00 -1.02 0.00 0.00 32.46 29.64 3h1j n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3h1j s PRO 239 N -2.57 -0.31 0.41 5.56 0.04 -1.26 -4.96 135.00 131.92 3h1j s PRO 239 Ca 0.33 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 3h1j s PRO 239 Cb 0.06 -1.60 -0.09 0.00 0.04 0.00 0.00 34.50 32.91 3h1j s PRO 239 CO 0.05 -3.40 1.02 -1.25 0.04 0.00 0.00 177.00 173.46 3h1j s PRO 240 N -4.50 4.14 0.00 0.56 0.04 -1.26 -5.33 135.00 128.66 3h1j s PRO 240 Ca 0.68 1.41 0.05 0.00 0.04 0.00 0.00 61.00 63.18 3h1j s PRO 240 Cb -0.25 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.91 3h1j s PRO 240 CO 0.63 -0.14 0.67 1.17 0.04 0.00 0.00 177.00 179.37