#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5j n HIS -1 N 0.00 0.00 0.45 0.66 -0.00 -1.26 -1.29 115.22 113.78 3d5j n HIS -1 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 3d5j n HIS -1 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 29.99 30.25 3d5j n HIS -1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3d5j n MET 0 N 14.00 0.07 0.00 -0.41 2.81 -1.26 -1.62 117.12 130.71 3d5j n MET 0 Ca 0.00 0.25 0.14 0.00 -1.81 0.00 0.00 57.70 56.28 3d5j n MET 0 Cb 0.00 -1.50 0.82 0.00 -0.71 0.00 0.00 33.22 31.83 3d5j n MET 0 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3d5j n MET 1 N -1.41 0.96 -1.67 0.03 2.81 -0.41 -4.88 117.12 112.56 3d5j n MET 1 Ca 0.04 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.48 3d5j n MET 1 Cb 0.11 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3d5j n MET 1 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3d5j n VAL 2 N -0.95 0.68 -2.26 2.03 3.14 -0.64 -4.89 118.33 115.43 3d5j n VAL 2 Ca 0.21 -0.17 -0.32 0.00 -2.96 0.00 0.00 64.34 61.10 3d5j n VAL 2 Cb 0.09 -1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 31.39 3d5j n VAL 2 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3d5j s SER 3 N 0.45 6.48 0.31 6.55 1.04 -1.26 -4.88 113.70 122.39 3d5j s SER 3 Ca 0.71 1.56 0.07 0.00 0.48 0.00 0.00 55.95 58.77 3d5j s SER 3 Cb -0.67 -2.50 0.88 0.00 0.10 0.00 0.00 66.02 63.83 3d5j s SER 3 CO 0.47 -0.69 1.63 -0.61 0.98 0.00 0.00 173.24 175.02 3d5j h GLN 4 N 0.63 0.17 -0.16 4.02 -0.00 -1.99 -0.12 115.11 117.66 3d5j h GLN 4 Ca -0.46 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.12 3d5j h GLN 4 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 3d5j h GLN 4 CO 0.61 0.11 -0.13 0.93 0.00 0.00 0.00 178.83 180.36 3d5j h GLU 5 N 0.18 0.37 -0.47 1.69 3.07 -1.99 0.27 114.58 117.70 3d5j h GLU 5 Ca 0.64 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 3d5j h GLU 5 Cb 1.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.28 3d5j h GLU 5 CO -0.70 0.72 0.26 1.15 -1.40 0.00 0.00 179.01 179.04 3d5j h THR 6 N 0.02 1.16 -0.46 1.13 2.02 -1.84 0.20 112.91 115.14 3d5j h THR 6 Ca 0.03 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3d5j h THR 6 Cb 0.64 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3d5j h THR 6 CO 0.03 0.17 0.18 0.58 0.37 0.00 0.00 175.52 176.86 3d5j h VAL 7 N 0.62 1.21 -0.85 3.16 2.07 -0.82 0.11 116.25 121.75 3d5j h VAL 7 Ca 0.17 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3d5j h VAL 7 Cb 0.04 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3d5j h VAL 7 CO -0.03 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.25 3d5j h ALA 8 N 1.03 1.09 -0.52 1.67 0.00 -0.25 -0.40 119.26 121.88 3d5j h ALA 8 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3d5j h ALA 8 Cb 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d5j h ALA 8 CO -0.01 0.61 0.10 1.25 0.00 0.00 0.00 179.25 181.20 3d5j h HIS 9 N 1.19 0.90 -0.71 0.00 6.17 -0.50 -1.09 115.15 121.12 3d5j h HIS 9 Ca 0.30 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 3d5j h HIS 9 Cb 0.05 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.69 3d5j h HIS 9 CO 0.01 0.80 0.37 0.28 0.71 0.00 0.00 177.93 180.10 3d5j h VAL 10 N 0.74 1.22 -0.67 5.26 2.07 -0.38 -0.12 116.25 124.36 3d5j h VAL 10 Ca 0.16 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3d5j h VAL 10 Cb 0.37 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3d5j h VAL 10 CO 0.01 0.25 0.39 0.11 0.02 0.00 0.00 177.57 178.35 3d5j h LYS 11 N 0.98 0.72 -0.54 1.57 1.57 -0.81 0.46 116.57 120.52 3d5j h LYS 11 Ca 0.25 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3d5j h LYS 11 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3d5j h LYS 11 CO -0.04 0.48 0.29 -0.44 -0.57 0.00 0.00 179.45 179.17 3d5j h ASP 12 N 0.75 0.43 -0.48 0.86 3.32 -0.72 -0.77 116.42 119.81 3d5j h ASP 12 Ca 0.29 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3d5j h ASP 12 Cb 0.12 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3d5j h ASP 12 CO -0.15 0.29 0.29 -0.07 -1.72 0.00 0.00 179.24 177.89 3d5j h LEU 13 N 0.56 0.58 -0.82 1.55 3.38 -0.33 -1.47 115.31 118.75 3d5j h LEU 13 Ca 0.24 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3d5j h LEU 13 Cb 0.12 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3d5j h LEU 13 CO -0.15 0.46 0.50 0.40 0.09 0.00 0.00 178.44 179.74 3d5j h ILE 14 N 0.64 1.01 0.00 1.22 2.04 -0.51 -1.31 117.51 120.61 3d5j h ILE 14 Ca 0.17 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3d5j h ILE 14 Cb -0.01 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3d5j h ILE 14 CO -0.03 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.89 3d5j n GLY 15 N -1.32 -1.07 0.21 5.37 0.00 -0.33 -4.03 105.19 104.01 3d5j n GLY 15 Ca 0.12 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3d5j n GLY 15 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3d5j h GLN 16 N 0.00 0.65 -5.05 1.61 4.15 -0.17 -3.45 115.11 112.85 3d5j h GLN 16 Ca 0.00 -0.50 -0.34 0.00 0.77 0.00 0.00 58.65 58.58 3d5j h GLN 16 Cb 0.20 0.09 -0.19 0.00 0.21 0.00 0.00 27.48 27.80 3d5j h GLN 16 CO 0.00 1.12 -0.74 0.15 -1.93 0.00 0.00 178.83 177.42 3d5j s LYS 17 N -3.80 0.83 0.22 1.69 -0.14 -1.26 -5.03 119.74 112.26 3d5j s LYS 17 Ca -0.08 -1.09 -0.08 0.00 -1.36 0.00 0.00 55.97 53.36 3d5j s LYS 17 Cb 0.10 -0.61 0.32 0.00 -1.68 0.00 0.00 37.83 35.96 3d5j s LYS 17 CO 0.87 0.11 1.77 0.93 -0.76 0.00 0.00 175.35 178.27 3d5j h GLU 18 N 3.78 0.53 -4.99 1.68 5.08 -1.78 -3.38 114.58 115.50 3d5j h GLU 18 Ca -0.38 -0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.29 3d5j h GLU 18 Cb 1.19 -0.12 -0.25 0.00 0.50 0.00 0.00 28.75 30.07 3d5j h GLU 18 CO 0.49 0.35 -0.68 0.08 -1.00 0.00 0.00 179.01 178.25 3d5j s VAL 19 N -6.07 3.77 -0.12 3.13 1.01 0.43 -1.03 120.40 121.53 3d5j s VAL 19 Ca -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3d5j s VAL 19 Cb 0.18 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3d5j s VAL 19 CO 0.76 0.39 -0.17 0.12 0.00 0.00 0.00 175.10 176.20 3d5j s PHE 20 N 1.49 2.72 -0.13 5.22 5.36 0.80 0.62 117.98 134.07 3d5j s PHE 20 Ca 0.06 -0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 55.21 3d5j s PHE 20 Cb -0.15 -1.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.78 3d5j s PHE 20 CO -0.00 -0.29 -0.01 0.08 -1.46 0.00 0.00 175.22 173.53 3d5j s VAL 21 N 0.35 0.68 -0.37 3.12 1.01 -0.25 -0.40 120.40 124.54 3d5j s VAL 21 Ca -0.14 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 3d5j s VAL 21 Cb -0.17 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3d5j s VAL 21 CO 0.07 0.14 0.97 0.00 0.00 0.00 0.00 175.10 176.27 3d5j s ALA 22 N 1.83 3.40 0.44 5.51 0.00 0.82 -0.38 121.76 133.38 3d5j s ALA 22 Ca 0.03 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3d5j s ALA 22 Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3d5j s ALA 22 CO -0.07 -1.65 0.07 0.00 0.00 0.00 0.00 175.76 174.11 3d5j s ALA 23 N 3.59 3.54 -0.10 0.00 0.00 0.20 -0.78 121.76 128.21 3d5j s ALA 23 Ca 0.40 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 3d5j s ALA 23 Cb -0.12 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.01 3d5j s ALA 23 CO 0.19 -0.13 0.20 0.21 0.00 0.00 0.00 175.76 176.24 3d5j s LYS 24 N -3.82 0.11 0.47 0.00 2.20 -1.26 -1.01 119.74 116.42 3d5j s LYS 24 Ca 0.30 0.57 0.14 0.00 -0.36 0.00 0.00 55.97 56.62 3d5j s LYS 24 Cb 0.06 -0.16 1.10 0.00 -1.51 0.00 0.00 37.83 37.33 3d5j s LYS 24 CO 0.16 -0.24 2.06 1.79 -0.36 0.00 0.00 175.35 178.76 3d5j h THR 25 N 6.18 0.97 0.00 3.43 1.35 -1.95 0.39 112.91 123.28 3d5j h THR 25 Ca -0.26 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3d5j h THR 25 Cb 1.13 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3d5j h THR 25 CO 0.25 0.05 0.00 -1.22 -0.25 0.00 0.00 175.52 174.35 3d5j n TYR 26 N -4.48 0.75 -3.08 4.73 4.02 -1.26 -4.82 117.16 113.02 3d5j n TYR 26 Ca 0.04 0.23 -0.41 0.00 -0.01 0.00 0.00 57.90 57.75 3d5j n TYR 26 Cb 0.22 -0.88 -0.06 0.00 -0.02 0.00 0.00 39.34 38.60 3d5j n TYR 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d5j h PRO 28 N 8.22 0.81 -0.31 0.00 0.11 -1.87 -1.12 132.00 137.83 3d5j h PRO 28 Ca -0.26 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3d5j h PRO 28 Cb 1.11 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3d5j h PRO 28 CO 0.82 0.53 -0.03 1.88 -0.21 0.00 0.00 178.00 181.00 3d5j h TYR 29 N 0.83 0.50 -0.25 0.65 0.99 -1.92 0.01 116.97 117.78 3d5j h TYR 29 Ca 0.41 -0.05 -0.14 0.00 2.00 0.00 0.00 58.73 60.94 3d5j h TYR 29 Cb 0.36 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.95 3d5j h TYR 29 CO -0.05 0.52 -0.40 1.03 -0.00 0.00 0.00 178.16 179.26 3d5j h SER 30 N 0.46 0.79 -0.90 3.88 0.87 -1.59 0.27 113.55 117.33 3d5j h SER 30 Ca 0.10 -0.52 0.01 0.00 -1.23 0.00 0.00 61.79 60.15 3d5j h SER 30 Cb 0.35 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3d5j h SER 30 CO 0.01 1.16 0.59 0.11 -0.53 0.00 0.00 176.83 178.17 3d5j h LYS 31 N 0.45 1.19 -0.21 2.24 1.79 -0.86 0.75 116.57 121.92 3d5j h LYS 31 Ca 0.02 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3d5j h LYS 31 Cb 0.99 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 3d5j h LYS 31 CO 0.09 0.79 0.06 0.00 -1.08 0.00 0.00 179.45 179.32 3d5j h ALA 32 N 1.43 0.27 -0.69 3.86 0.00 -0.78 -0.43 119.26 122.92 3d5j h ALA 32 Ca 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3d5j h ALA 32 Cb -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3d5j h ALA 32 CO -0.07 -0.10 0.37 1.15 0.00 0.00 0.00 179.25 180.60 3d5j h THR 33 N 0.16 1.22 -0.32 0.00 2.02 -0.42 0.62 112.91 116.18 3d5j h THR 33 Ca 0.07 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3d5j h THR 33 Cb 0.24 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3d5j h THR 33 CO -0.00 0.25 -0.16 -0.07 0.37 0.00 0.00 175.52 175.90 3d5j h LEU 34 N 0.95 0.70 -0.39 2.58 3.38 -0.72 -0.08 115.31 121.73 3d5j h LEU 34 Ca 0.24 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3d5j h LEU 34 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3d5j h LEU 34 CO -0.04 0.96 0.23 0.28 0.09 0.00 0.00 178.44 179.96 3d5j h SER 35 N 0.45 0.37 0.08 -0.43 0.02 -0.89 0.17 113.55 113.33 3d5j h SER 35 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3d5j h SER 35 Cb 0.69 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3d5j h SER 35 CO 0.05 0.27 -0.08 0.74 -1.14 0.00 0.00 176.83 176.66 3d5j h THR 36 N 0.47 0.81 -0.20 -2.27 2.02 -0.63 0.21 112.91 113.31 3d5j h THR 36 Ca 0.16 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 3d5j h THR 36 Cb 0.01 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3d5j h THR 36 CO -0.07 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.68 3d5j h LEU 37 N -0.18 0.41 0.00 2.58 3.38 -0.78 0.30 115.31 121.01 3d5j h LEU 37 Ca 0.01 -0.39 -0.28 0.00 0.09 0.00 0.00 57.88 57.31 3d5j h LEU 37 Cb 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3d5j h LEU 37 CO -0.03 0.70 -2.18 0.49 0.09 0.00 0.00 178.44 177.52 3d5j n PHE 38 N -4.60 0.17 -0.08 1.13 3.01 0.59 -0.95 117.46 116.73 3d5j n PHE 38 Ca -0.05 0.06 -0.07 0.00 1.01 0.00 0.00 57.45 58.40 3d5j n PHE 38 Cb 0.30 -0.93 -0.02 0.00 -0.01 0.00 0.00 39.48 38.81 3d5j n PHE 38 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3d5j n GLN 39 N -2.70 0.47 -0.09 -1.08 1.13 0.50 -3.73 117.38 111.88 3d5j n GLN 39 Ca -0.24 0.27 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 3d5j n GLN 39 Cb 1.02 -1.42 -0.04 0.00 0.11 0.00 0.00 30.24 29.90 3d5j n GLN 39 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3d5j h GLU 40 N -0.92 0.56 -0.12 -1.09 4.81 -0.81 -3.20 114.58 113.81 3d5j h GLU 40 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3d5j h GLU 40 Cb 0.81 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3d5j h GLU 40 CO 0.00 0.81 0.00 1.28 -0.73 0.00 0.00 179.01 180.37 3d5j n LEU 41 N -4.45 3.03 -2.55 1.64 4.77 0.10 -4.98 117.00 114.57 3d5j n LEU 41 Ca -0.04 -1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 54.60 3d5j n LEU 41 Cb 0.36 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3d5j n LEU 41 CO 0.41 0.55 -0.20 0.59 -1.33 0.00 0.00 177.39 177.41 3d5j n ASN 42 N 1.32 -5.72 -4.67 -1.43 3.02 -1.01 -4.89 115.26 101.88 3d5j n ASN 42 Ca 0.15 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 3d5j n ASN 42 Cb 0.57 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.98 3d5j n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d5j s VAL 43 N -3.02 3.64 0.26 2.41 1.01 -0.13 -4.92 120.40 119.65 3d5j s VAL 43 Ca 0.07 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.59 3d5j s VAL 43 Cb -0.03 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 3d5j s VAL 43 CO 0.08 -0.06 1.46 -2.65 0.00 0.00 0.00 175.10 173.94 3d5j n PRO 44 N 6.66 2.23 0.27 2.72 -0.02 -1.26 -4.59 135.00 141.01 3d5j n PRO 44 Ca 0.16 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.54 3d5j n PRO 44 Cb 0.43 -2.49 0.74 0.00 -0.02 0.00 0.00 33.50 32.17 3d5j n PRO 44 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3d5j h LYS 45 N 4.35 0.00 0.00 -0.52 1.79 -1.92 0.43 116.57 120.70 3d5j h LYS 45 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3d5j h LYS 45 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3d5j h LYS 45 CO 0.77 0.02 0.00 0.66 -1.08 0.00 0.00 179.45 179.81 3d5j h SER 46 N 0.00 0.00 -0.45 0.86 4.64 -2.02 -1.92 113.55 114.67 3d5j h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d5j h SER 46 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3d5j h SER 46 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d5j n LYS 47 N -2.39 3.13 -4.09 4.77 5.02 0.14 -4.95 118.16 119.79 3d5j n LYS 47 Ca -0.00 -2.53 -0.14 0.00 -2.02 0.00 0.00 58.31 53.62 3d5j n LYS 47 Cb 0.12 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.41 3d5j n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d5j s ALA 48 N -1.67 0.62 -0.19 7.82 0.00 -0.72 -0.43 121.76 127.19 3d5j s ALA 48 Ca 0.38 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3d5j s ALA 48 Cb 0.24 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.40 3d5j s ALA 48 CO 0.18 0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.62 3d5j s LEU 49 N -1.39 2.37 -0.22 0.00 2.96 0.20 -4.93 118.68 117.67 3d5j s LEU 49 Ca -0.08 -0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 53.00 3d5j s LEU 49 Cb -0.09 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3d5j s LEU 49 CO 0.00 -0.06 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.22 3d5j s VAL 50 N 1.28 3.09 -0.34 1.68 1.01 -1.26 -1.09 120.40 124.77 3d5j s VAL 50 Ca 0.02 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3d5j s VAL 50 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3d5j s VAL 50 CO -0.11 0.42 0.23 -0.76 0.00 0.00 0.00 175.10 174.89 3d5j s LEU 51 N 1.43 4.53 -0.82 3.92 1.43 0.49 -4.97 118.68 124.69 3d5j s LEU 51 Ca 0.05 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3d5j s LEU 51 Cb -0.14 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.04 3d5j s LEU 51 CO -0.05 -0.26 1.15 -1.61 0.23 0.00 0.00 176.35 175.81 3d5j s GLU 52 N 1.70 3.36 0.35 1.70 2.02 -1.26 0.59 118.70 127.15 3d5j s GLU 52 Ca 0.06 -1.09 0.05 0.00 0.02 0.00 0.00 54.97 54.00 3d5j s GLU 52 Cb -0.18 -4.65 0.70 0.00 0.10 0.00 0.00 34.13 30.10 3d5j s GLU 52 CO 0.10 -1.92 1.94 -0.07 0.02 0.00 0.00 175.26 175.32 3d5j h LEU 53 N 11.57 0.72 -1.66 1.80 3.38 -1.43 -0.12 115.31 129.58 3d5j h LEU 53 Ca -0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3d5j h LEU 53 Cb 1.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3d5j h LEU 53 CO 1.22 0.46 -0.20 -2.24 0.09 0.00 0.00 178.44 177.77 3d5j h ASP 54 N 0.82 0.00 0.15 -0.43 -0.00 -1.90 -2.24 116.42 112.81 3d5j h ASP 54 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 3d5j h ASP 54 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.60 3d5j h ASP 54 CO -0.12 0.20 -0.12 1.21 -0.00 0.00 0.00 179.24 180.41 3d5j n GLU 55 N -4.03 1.14 -4.17 4.15 4.07 -0.09 -4.83 120.64 116.87 3d5j n GLU 55 Ca -0.02 -0.60 -0.34 0.00 -0.06 0.00 0.00 57.16 56.14 3d5j n GLU 55 Cb 0.27 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 30.07 3d5j n GLU 55 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 3d5j s MET 56 N -2.28 3.69 0.48 5.31 -1.94 -0.84 -4.98 119.30 118.73 3d5j s MET 56 Ca 0.32 -0.39 0.21 0.00 -1.71 0.00 0.00 55.69 54.11 3d5j s MET 56 Cb 0.20 -3.06 1.20 0.00 2.01 0.00 0.00 34.83 35.18 3d5j s MET 56 CO 0.43 0.38 2.02 0.66 -0.01 0.00 0.00 175.02 178.49 3d5j h SER 57 N 6.31 0.00 -0.30 3.03 4.64 -1.88 -0.44 113.55 124.91 3d5j h SER 57 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3d5j h SER 57 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3d5j h SER 57 CO 0.65 0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 176.32 3d5j n ASN 58 N -3.97 4.06 -0.33 4.97 6.94 -1.26 -4.71 115.26 120.96 3d5j n ASN 58 Ca -0.02 -3.03 0.11 0.00 -0.02 0.00 0.00 54.58 51.62 3d5j n ASN 58 Cb 0.26 -0.56 0.29 0.00 -2.36 0.00 0.00 39.78 37.40 3d5j n ASN 58 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3d5j h GLY 59 N 2.02 1.65 0.69 4.83 0.00 -1.19 -0.20 103.07 110.86 3d5j h GLY 59 Ca 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.06 3d5j h GLY 59 CO 0.26 -0.06 0.18 0.23 0.00 0.00 0.00 176.54 177.15 3d5j h SER 60 N 0.71 0.23 -0.27 0.19 0.87 -1.80 -0.54 113.55 112.93 3d5j h SER 60 Ca 0.54 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 61.09 3d5j h SER 60 Cb 0.83 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3d5j h SER 60 CO -0.38 0.17 0.01 -0.33 -0.53 0.00 0.00 176.83 175.77 3d5j h GLU 61 N 0.37 0.59 -0.42 2.24 3.07 -1.43 -0.50 114.58 118.49 3d5j h GLU 61 Ca 0.19 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 3d5j h GLU 61 Cb 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3d5j h GLU 61 CO -0.17 0.60 -0.10 0.82 -1.40 0.00 0.00 179.01 178.77 3d5j h ILE 62 N 0.56 1.27 -0.39 3.13 2.04 -0.82 0.14 117.51 123.44 3d5j h ILE 62 Ca 0.12 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.81 3d5j h ILE 62 Cb 0.34 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3d5j h ILE 62 CO 0.01 0.40 0.21 -0.61 0.00 0.00 0.00 178.15 178.16 3d5j h GLN 63 N 0.62 0.41 -0.83 2.37 4.15 -0.72 0.11 115.11 121.23 3d5j h GLN 63 Ca 0.11 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3d5j h GLN 63 Cb 0.62 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 3d5j h GLN 63 CO 0.04 0.27 0.54 -0.44 -1.93 0.00 0.00 178.83 177.31 3d5j h ASP 64 N 0.43 0.90 -0.47 -0.69 3.32 -0.80 0.94 116.42 120.04 3d5j h ASP 64 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3d5j h ASP 64 Cb 0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3d5j h ASP 64 CO -0.10 0.63 0.31 0.00 -1.72 0.00 0.00 179.24 178.37 3d5j h ALA 65 N 1.33 0.60 -0.30 3.45 0.00 -0.02 -1.00 119.26 123.32 3d5j h ALA 65 Ca 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3d5j h ALA 65 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3d5j h ALA 65 CO -0.10 0.05 -0.17 -0.07 0.00 0.00 0.00 179.25 178.96 3d5j h LEU 66 N 0.64 0.53 -0.59 0.00 3.38 0.06 -0.87 115.31 118.46 3d5j h LEU 66 Ca 0.17 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3d5j h LEU 66 Cb -0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3d5j h LEU 66 CO -0.04 0.71 -0.01 -0.08 0.09 0.00 0.00 178.44 179.12 3d5j h GLU 67 N 0.49 1.05 -0.79 1.13 4.81 -0.48 -2.35 114.58 118.43 3d5j h GLU 67 Ca 0.08 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3d5j h GLU 67 Cb 0.57 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3d5j h GLU 67 CO 0.04 1.03 0.44 1.49 -0.73 0.00 0.00 179.01 181.28 3d5j h GLU 68 N 0.94 1.10 -0.51 1.92 4.81 -0.30 0.71 114.58 123.24 3d5j h GLU 68 Ca 0.17 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3d5j h GLU 68 Cb 0.56 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3d5j h GLU 68 CO 0.03 0.80 0.17 0.82 -0.73 0.00 0.00 179.01 180.10 3d5j h ILE 69 N 1.09 1.23 0.00 2.32 2.04 -0.92 -3.37 117.51 119.90 3d5j h ILE 69 Ca 0.28 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3d5j h ILE 69 Cb 0.01 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3d5j h ILE 69 CO -0.05 0.28 -0.51 -1.54 0.00 0.00 0.00 178.15 176.33 3d5j n SER 70 N -4.50 2.56 0.00 1.72 3.41 -0.91 -5.00 113.62 110.90 3d5j n SER 70 Ca 0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3d5j n SER 70 Cb 0.19 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 3d5j n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5j n GLY 71 N 1.54 1.75 3.70 5.00 0.00 0.25 -5.05 105.19 112.37 3d5j n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3d5j n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d5j s GLN 72 N -0.94 4.33 0.01 1.61 0.74 -1.25 -4.90 119.66 119.25 3d5j s GLN 72 Ca 0.00 1.93 0.22 0.00 0.05 0.00 0.00 55.36 57.56 3d5j s GLN 72 Cb 0.00 -3.45 -0.24 0.00 1.10 0.00 0.00 33.01 30.42 3d5j s GLN 72 CO 0.00 -0.47 0.69 0.36 -0.55 0.00 0.00 175.29 175.32 3d5j n LYS 73 N 4.73 0.46 -3.64 1.67 -0.00 -1.26 -3.28 118.16 116.85 3d5j n LYS 73 Ca 0.12 -0.11 -0.34 0.00 -0.00 0.00 0.00 58.31 57.98 3d5j n LYS 73 Cb 0.44 -1.55 -0.05 0.00 -0.00 0.00 0.00 35.03 33.87 3d5j n LYS 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3d5j s THR 74 N -3.35 5.15 0.40 0.58 -4.23 -1.26 -5.01 115.64 107.92 3d5j s THR 74 Ca -0.02 0.27 -0.24 0.00 -1.18 0.00 0.00 61.69 60.52 3d5j s THR 74 Cb 0.14 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 3d5j s THR 74 CO 0.88 0.23 1.04 0.68 -0.54 0.00 0.00 174.62 176.90 3d5j s VAL 75 N -1.46 3.80 0.73 2.29 -7.23 -1.26 -4.23 120.40 113.04 3d5j s VAL 75 Ca 0.34 1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 61.77 3d5j s VAL 75 Cb -0.13 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.14 3d5j s VAL 75 CO 0.20 -0.01 1.07 -2.16 -0.31 0.00 0.00 175.10 173.89 3d5j s PRO 76 N -2.52 2.60 -0.20 4.82 0.04 -1.26 -4.61 135.00 133.87 3d5j s PRO 76 Ca 0.58 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 3d5j s PRO 76 Cb -0.21 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3d5j s PRO 76 CO 0.26 -1.36 -0.05 1.21 0.04 0.00 0.00 177.00 177.11 3d5j s ASN 77 N -3.65 3.32 -0.14 6.66 3.84 0.04 -3.90 114.94 121.11 3d5j s ASN 77 Ca 0.59 -0.92 -0.02 0.00 0.21 0.00 0.00 52.86 52.73 3d5j s ASN 77 Cb -0.15 -1.02 -0.02 0.00 -0.55 0.00 0.00 41.25 39.50 3d5j s ASN 77 CO 0.55 -0.21 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.87 3d5j s VAL 78 N 1.53 3.46 0.01 -5.21 1.01 0.56 -0.13 120.40 121.64 3d5j s VAL 78 Ca -0.02 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3d5j s VAL 78 Cb -0.17 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3d5j s VAL 78 CO -0.07 0.51 -0.25 -0.31 0.00 0.00 0.00 175.10 174.98 3d5j s TYR 79 N 0.33 2.20 -0.06 5.22 1.51 0.46 -1.08 117.35 125.92 3d5j s TYR 79 Ca -0.07 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3d5j s TYR 79 Cb -0.15 -1.37 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3d5j s TYR 79 CO 0.04 0.03 0.01 0.42 -1.11 0.00 0.00 175.55 174.94 3d5j s ILE 80 N -0.67 0.27 -1.22 2.71 1.01 0.13 -0.14 121.20 123.29 3d5j s ILE 80 Ca 0.10 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 3d5j s ILE 80 Cb -0.10 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.95 3d5j s ILE 80 CO 0.00 0.23 0.66 0.59 0.00 0.00 0.00 174.94 176.43 3d5j n ASN 81 N 4.98 -3.84 0.00 3.58 3.02 -0.20 -0.43 115.26 122.37 3d5j n ASN 81 Ca -0.10 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3d5j n ASN 81 Cb 0.50 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 3d5j n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d5j n GLY 82 N -1.89 2.74 3.66 7.41 0.00 -1.26 -4.98 105.19 110.88 3d5j n GLY 82 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3d5j n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5j s LYS 83 N -0.16 4.14 -0.68 1.61 2.20 0.43 -5.01 119.74 122.27 3d5j s LYS 83 Ca 0.00 0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.52 3d5j s LYS 83 Cb 0.00 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3d5j s LYS 83 CO 0.00 -0.10 1.49 -1.58 -0.36 0.00 0.00 175.35 174.80 3d5j s HIS 84 N 1.50 2.07 0.08 4.03 5.65 -1.26 -0.69 115.29 126.67 3d5j s HIS 84 Ca 0.18 0.29 -0.14 0.00 0.25 0.00 0.00 55.06 55.64 3d5j s HIS 84 Cb -0.15 -4.42 -0.18 0.00 -1.18 0.00 0.00 32.58 26.65 3d5j s HIS 84 CO 0.08 -2.15 1.26 0.82 -0.65 0.00 0.00 174.74 174.11 3d5j h ILE 85 N 6.36 1.30 0.00 0.89 1.08 -1.46 -3.49 117.51 122.17 3d5j h ILE 85 Ca -0.27 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.19 3d5j h ILE 85 Cb 1.09 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 3d5j h ILE 85 CO 1.25 0.63 0.00 0.61 -0.69 0.00 0.00 178.15 179.94 3d5j n GLY 86 N 0.80 0.87 0.04 5.37 0.00 -0.98 -4.56 105.19 106.72 3d5j n GLY 86 Ca -0.08 -1.47 -0.00 0.00 0.00 0.00 0.00 46.02 44.46 3d5j n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5j n GLY 87 N 0.00 2.07 0.35 -0.02 0.00 -1.25 -0.32 105.19 106.02 3d5j n GLY 87 Ca 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 3d5j n GLY 87 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3d5j h ASN 88 N 0.00 1.07 -0.15 1.61 -0.73 -1.83 -0.24 115.58 115.31 3d5j h ASN 88 Ca -0.00 -0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.00 3d5j h ASN 88 Cb 0.01 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 3d5j h ASN 88 CO 0.00 0.84 -0.17 0.77 -0.37 0.00 0.00 177.43 178.50 3d5j h SER 89 N 1.22 0.55 -0.30 1.15 4.64 -1.95 0.12 113.55 118.98 3d5j h SER 89 Ca 0.31 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3d5j h SER 89 Cb -0.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3d5j h SER 89 CO -0.06 0.73 -0.19 0.44 -0.87 0.00 0.00 176.83 176.89 3d5j h ASP 90 N 0.50 0.68 -0.46 4.97 3.32 -1.72 -1.82 116.42 121.90 3d5j h ASP 90 Ca 0.08 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.76 3d5j h ASP 90 Cb 0.58 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3d5j h ASP 90 CO 0.04 0.97 0.16 0.25 -1.72 0.00 0.00 179.24 178.94 3d5j h LEU 91 N 0.41 0.17 -0.49 1.55 5.85 -0.54 -1.85 115.31 120.41 3d5j h LEU 91 Ca 0.06 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3d5j h LEU 91 Cb 0.73 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 3d5j h LEU 91 CO 0.05 0.13 0.14 -0.33 -0.34 0.00 0.00 178.44 178.09 3d5j h GLU 92 N 0.34 0.28 -0.45 1.25 4.39 -0.66 0.30 114.58 120.03 3d5j h GLU 92 Ca 0.21 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.93 3d5j h GLU 92 Cb 0.21 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3d5j h GLU 92 CO -0.22 0.19 0.23 1.15 -1.16 0.00 0.00 179.01 179.20 3d5j h THR 93 N 0.29 0.99 -0.43 1.13 2.02 -0.91 -0.82 112.91 115.17 3d5j h THR 93 Ca 0.24 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 3d5j h THR 93 Cb 0.29 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3d5j h THR 93 CO -0.28 0.09 -0.11 -0.07 0.37 0.00 0.00 175.52 175.52 3d5j h LEU 94 N 0.47 0.77 -0.10 2.58 3.38 -0.73 0.27 115.31 121.95 3d5j h LEU 94 Ca 0.19 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3d5j h LEU 94 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3d5j h LEU 94 CO -0.12 0.90 -0.06 0.50 0.09 0.00 0.00 178.44 179.74 3d5j h LYS 95 N 0.70 -0.06 -0.35 1.13 3.64 0.02 -0.15 116.57 121.50 3d5j h LYS 95 Ca 0.12 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 3d5j h LYS 95 Cb 0.59 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3d5j h LYS 95 CO 0.04 -0.04 -0.18 0.87 -2.27 0.00 0.00 179.45 177.87 3d5j h LYS 96 N -0.06 0.73 -1.13 1.90 1.57 -0.94 -2.90 116.57 115.74 3d5j h LYS 96 Ca 0.06 -0.32 0.32 0.00 -1.87 0.00 0.00 60.65 58.84 3d5j h LYS 96 Cb 0.15 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 3d5j h LYS 96 CO -0.14 0.93 0.77 -0.91 -0.57 0.00 0.00 179.45 179.53 3d5j h ASN 97 N 0.51 0.24 0.00 0.86 4.21 -0.38 -3.45 115.58 117.57 3d5j h ASN 97 Ca 0.08 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3d5j h ASN 97 Cb 0.72 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 3d5j h ASN 97 CO 0.05 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 3d5j n GLY 98 N -1.60 1.73 0.16 2.83 0.00 -0.90 -4.92 105.19 102.49 3d5j n GLY 98 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 3d5j n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5j h LYS 99 N 2.85 0.05 -0.78 1.61 6.56 -1.70 -3.02 116.57 122.13 3d5j h LYS 99 Ca 0.00 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3d5j h LYS 99 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 3d5j h LYS 99 CO 0.00 0.55 0.48 1.25 -2.06 0.00 0.00 179.45 179.67 3d5j h LEU 100 N 0.04 0.92 -0.62 2.94 5.85 -1.33 0.19 115.31 123.30 3d5j h LEU 100 Ca -0.00 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3d5j h LEU 100 Cb 0.93 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3d5j h LEU 100 CO 0.07 0.71 0.39 0.00 -0.34 0.00 0.00 178.44 179.26 3d5j h ALA 101 N 1.26 0.79 -0.57 1.25 0.00 -1.77 0.23 119.26 120.43 3d5j h ALA 101 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3d5j h ALA 101 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3d5j h ALA 101 CO -0.05 0.25 0.30 0.93 0.00 0.00 0.00 179.25 180.67 3d5j h GLU 102 N 0.84 0.81 -0.73 0.00 5.08 -1.22 -0.70 114.58 118.65 3d5j h GLU 102 Ca 0.22 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3d5j h GLU 102 Cb -0.05 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3d5j h GLU 102 CO -0.04 0.64 0.47 0.82 -1.00 0.00 0.00 179.01 179.90 3d5j h ILE 103 N 0.78 1.19 0.00 3.13 2.04 -0.11 -2.83 117.51 121.71 3d5j h ILE 103 Ca 0.20 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3d5j h ILE 103 Cb 0.08 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3d5j h ILE 103 CO -0.03 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.24 3d5j h LEU 104 N 0.99 0.00 -0.31 1.44 3.38 -0.17 -3.36 115.31 117.28 3d5j h LEU 104 Ca 0.27 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.31 3d5j h LEU 104 Cb -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 3d5j h LEU 104 CO -0.06 0.00 -0.30 0.50 0.09 0.00 0.00 178.44 178.67 3d5j h LYS 105 N 0.00 -0.26 -0.27 1.13 3.64 -0.87 0.17 116.57 120.10 3d5j h LYS 105 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3d5j h LYS 105 Cb 0.65 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3d5j h LYS 105 CO 0.00 -0.18 0.24 -1.35 -2.27 0.00 0.00 179.45 175.89 3d5j h PRO 106 N -0.27 0.00 -0.21 1.90 0.11 -1.77 -2.62 132.00 129.13 3d5j h PRO 106 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3d5j h PRO 106 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3d5j h PRO 106 CO -0.47 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 177.58 3d5j h VAL 107 N 0.00 1.27 0.00 3.15 2.07 -0.90 -3.00 116.25 118.85 3d5j h VAL 107 Ca 0.13 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3d5j h VAL 107 Cb 0.60 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3d5j h VAL 107 CO -0.00 0.29 0.00 0.49 0.02 0.00 0.00 177.57 178.37 3d5j n PHE 108 N -4.65 0.80 1.85 1.57 3.01 -0.99 -5.03 117.46 114.02 3d5j n PHE 108 Ca -0.04 0.29 0.15 0.00 1.01 0.00 0.00 57.45 58.86 3d5j n PHE 108 Cb 0.26 -0.97 0.82 0.00 -0.01 0.00 0.00 39.48 39.57 3d5j n PHE 108 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81