#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou n ARG 2 N 0.00 -1.74 -1.87 3.17 1.74 -1.26 -4.78 116.66 111.93 1iou n ARG 2 Ca 0.00 1.37 -0.34 0.00 -0.77 0.00 0.00 57.85 58.11 1iou n ARG 2 Cb 0.00 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 29.70 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1iou s ILE 3 N -4.31 3.10 0.01 0.55 2.07 -1.21 -2.61 121.20 118.79 1iou s ILE 3 Ca 0.00 0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1iou s ILE 3 Cb 0.00 -3.11 0.00 0.00 0.13 0.00 0.00 42.46 39.48 1iou s ILE 3 CO 0.00 -0.26 0.00 -1.22 -1.91 0.00 0.00 174.94 171.55 1iou n TYR 4 N -2.12 -0.01 -4.24 3.50 4.01 -0.99 -4.82 117.16 112.50 1iou n TYR 4 Ca 0.11 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.68 1iou n TYR 4 Cb 0.51 0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.46 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iou s TYR 5 N -2.00 1.37 0.20 -0.72 6.14 0.22 0.14 117.35 122.71 1iou s TYR 5 Ca 0.00 -0.59 -0.19 0.00 0.64 0.00 0.00 57.07 56.93 1iou s TYR 5 Cb 0.00 -0.71 0.03 0.00 0.42 0.00 0.00 41.96 41.70 1iou s TYR 5 CO 0.00 0.14 0.56 0.42 0.64 0.00 0.00 175.55 177.31 1iou s ILE 6 N -2.40 0.02 -5.00 3.14 1.01 -0.19 0.17 121.20 117.95 1iou s ILE 6 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1iou s ILE 6 Cb -0.03 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1iou s ILE 6 CO 0.03 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1iou n GLY 7 N -0.36 -0.39 3.20 6.18 0.00 -0.29 0.10 105.19 113.63 1iou n GLY 7 Ca -0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1iou n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iou s VAL 8 N -3.29 0.06 -0.19 1.61 1.01 0.28 -1.83 120.40 118.06 1iou s VAL 8 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1iou s VAL 8 Cb 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1iou s VAL 8 CO 0.00 -0.28 0.50 -0.36 0.00 0.00 0.00 175.10 174.95 1iou s PHE 9 N -1.30 -0.63 -0.06 5.22 0.40 -0.26 0.13 117.98 121.48 1iou s PHE 9 Ca -0.13 1.43 -0.24 0.00 -0.60 0.00 0.00 56.93 57.38 1iou s PHE 9 Cb -0.06 0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.70 1iou s PHE 9 CO 0.03 -0.32 0.71 0.50 0.70 0.00 0.00 175.22 176.84 1iou s ARG 10 N 0.78 4.44 -0.67 0.44 3.00 0.47 -2.70 118.95 124.71 1iou s ARG 10 Ca -0.04 0.90 -0.26 0.00 -1.00 0.00 0.00 55.73 55.33 1iou s ARG 10 Cb -0.05 -3.45 -0.11 0.00 0.00 0.00 0.00 34.95 31.34 1iou s ARG 10 CO -0.06 0.07 2.41 -1.12 0.00 0.00 0.00 175.30 176.60 1iou s SER 11 N 0.79 4.10 0.00 -2.12 0.01 -1.26 0.13 113.70 115.34 1iou s SER 11 Ca 0.38 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1iou s SER 11 Cb -0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1iou s SER 11 CO 0.19 -3.49 0.00 0.61 0.41 0.00 0.00 173.24 170.95 1iou n GLY 12 N 6.49 0.87 0.18 3.44 0.00 -0.93 -4.88 105.19 110.36 1iou n GLY 12 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1iou n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iou n GLY 13 N 5.00 -0.12 0.14 -0.02 0.00 -1.26 -4.83 105.19 104.10 1iou n GLY 13 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1iou n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iou h GLU 14 N 0.00 0.00 0.00 1.61 4.81 -1.98 -3.48 114.58 115.55 1iou h GLU 14 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1iou h GLU 14 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1iou h GLU 14 CO 0.00 0.39 -0.10 0.36 -0.73 0.00 0.00 179.01 178.92 1iou n LYS 15 N -3.13 0.24 -3.44 1.92 0.00 -1.26 -5.03 118.16 107.46 1iou n LYS 15 Ca 0.00 -1.19 -0.39 0.00 -0.00 0.00 0.00 58.31 56.73 1iou n LYS 15 Cb 0.72 1.08 -0.10 0.00 -0.00 0.00 0.00 35.03 36.73 1iou n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iou s ALA 16 N -2.22 3.54 -0.80 0.58 0.00 -1.06 -2.18 121.76 119.61 1iou s ALA 16 Ca 0.13 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 1iou s ALA 16 Cb 0.00 -2.68 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 1iou s ALA 16 CO 0.09 -0.71 2.32 -1.17 0.00 0.00 0.00 175.76 176.29 1iou s LEU 17 N 1.99 2.93 -0.48 0.00 1.98 0.35 -4.68 118.68 120.76 1iou s LEU 17 Ca 0.12 -0.06 -0.43 0.00 -2.89 0.00 0.00 54.13 50.87 1iou s LEU 17 Cb -0.16 -2.55 -0.19 0.00 0.66 0.00 0.00 46.19 43.95 1iou s LEU 17 CO 0.11 -3.65 1.85 -1.84 -1.89 0.00 0.00 176.35 170.93 1iou n GLU 18 N 8.83 0.00 -0.03 1.98 0.28 -1.26 -0.40 120.64 130.05 1iou n GLU 18 Ca 0.45 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1iou n GLU 18 Cb 0.44 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.73 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1iou n LEU 19 N 5.90 1.60 -3.21 -1.84 4.77 0.35 -4.59 117.00 119.98 1iou n LEU 19 Ca 0.44 0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.71 1iou n LEU 19 Cb -0.05 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1iou n LEU 19 CO 0.85 0.62 0.67 -0.94 -1.33 0.00 0.00 177.39 177.26 1iou s SER 20 N -6.40 -0.38 -0.20 -1.43 1.04 -0.10 -2.32 113.70 103.91 1iou s SER 20 Ca -0.14 0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 1iou s SER 20 Cb 0.07 1.36 -0.02 0.00 0.10 0.00 0.00 66.02 67.52 1iou s SER 20 CO 0.79 -0.07 -0.00 -1.61 0.98 0.00 0.00 173.24 173.32 1iou s GLU 21 N 2.69 3.63 -0.05 4.02 8.01 -1.26 0.10 118.70 135.84 1iou s GLU 21 Ca -0.02 -0.52 0.06 0.00 0.01 0.00 0.00 54.97 54.50 1iou s GLU 21 Cb -0.08 -3.07 -0.01 0.00 -4.31 0.00 0.00 34.13 26.66 1iou s GLU 21 CO -0.13 0.03 -0.24 0.54 0.01 0.00 0.00 175.26 175.47 1iou s VAL 22 N 0.96 1.97 0.33 2.63 0.11 0.12 -4.79 120.40 121.71 1iou s VAL 22 Ca 0.01 -1.02 0.10 0.00 -2.93 0.00 0.00 61.98 58.14 1iou s VAL 22 Cb -0.14 -1.66 -0.06 0.00 -1.53 0.00 0.00 36.38 32.98 1iou s VAL 22 CO 0.02 0.55 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.68 1iou s LYS 23 N -0.19 1.77 -0.22 1.54 1.02 -1.26 -1.02 119.74 121.39 1iou s LYS 23 Ca -0.02 -1.89 -0.04 0.00 0.02 0.00 0.00 55.97 54.04 1iou s LYS 23 Cb -0.13 -1.69 0.07 0.00 -0.52 0.00 0.00 37.83 35.56 1iou s LYS 23 CO 0.03 0.18 0.08 0.34 -0.92 0.00 0.00 175.35 175.05 1iou s ASP 24 N -3.58 2.94 -0.95 2.83 -1.08 0.38 -4.94 116.67 112.27 1iou s ASP 24 Ca 0.32 -0.92 -0.01 0.00 -0.52 0.00 0.00 52.55 51.42 1iou s ASP 24 Cb 0.01 -0.45 0.29 0.00 -1.46 0.00 0.00 42.92 41.31 1iou s ASP 24 CO 0.16 -0.36 1.25 0.18 0.52 0.00 0.00 175.17 176.92 1iou n LEU 25 N 5.15 5.60 0.00 -1.34 7.99 -1.26 -4.71 117.00 128.42 1iou n LEU 25 Ca -0.07 -5.28 0.00 0.00 -0.01 0.00 0.00 56.01 50.65 1iou n LEU 25 Cb 0.46 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1iou n LEU 25 CO 0.10 1.80 0.20 -0.24 -1.51 0.00 0.00 177.39 177.74 1iou n SER 26 N 1.21 0.00 0.13 -1.43 2.88 -1.26 -4.22 113.62 110.93 1iou n SER 26 Ca 0.27 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1iou n SER 26 Cb 0.36 -0.03 0.20 0.00 -0.75 0.00 0.00 64.21 63.99 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1iou h GLN 27 N 0.00 0.00 -6.11 -1.46 4.20 -2.00 -3.45 115.11 106.30 1iou h GLN 27 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1iou h GLN 27 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1iou h GLN 27 CO 0.00 0.00 1.40 -0.06 -0.67 0.00 0.00 178.83 179.50 1iou s PHE 28 N -3.20 1.45 0.00 2.96 0.40 -1.26 -4.97 117.98 113.36 1iou s PHE 28 Ca 0.06 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1iou s PHE 28 Cb 0.10 -4.01 0.00 0.00 0.51 0.00 0.00 43.02 39.62 1iou s PHE 28 CO 0.68 -3.55 0.00 0.41 0.70 0.00 0.00 175.22 173.46 1iou n GLY 29 N 5.62 -3.19 0.09 4.36 0.00 -1.26 -4.24 105.19 106.57 1iou n GLY 29 Ca 0.27 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1iou n GLY 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iou h PHE 30 N -0.34 0.21 0.00 1.61 0.04 -1.99 -1.77 116.94 114.70 1iou h PHE 30 Ca 0.00 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1iou h PHE 30 Cb 0.00 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1iou h PHE 30 CO 0.00 1.15 0.00 0.27 -0.60 0.00 0.00 178.31 179.13 1iou h PHE 31 N -0.76 0.00 0.12 -0.55 -5.15 -2.02 -3.23 116.94 105.37 1iou h PHE 31 Ca -0.07 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.44 1iou h PHE 31 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 1iou h PHE 31 CO 0.24 0.00 -1.30 1.49 -2.00 0.00 0.00 178.31 176.74 1iou h GLU 32 N 0.00 0.26 -0.90 6.09 4.81 -1.88 -3.28 114.58 119.69 1iou h GLU 32 Ca 0.00 -0.45 0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1iou h GLU 32 Cb 0.73 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1iou h GLU 32 CO 0.00 1.21 0.58 0.07 -0.73 0.00 0.00 179.01 180.15 1iou h ARG 33 N -0.31 0.51 0.47 1.92 0.11 -1.33 0.40 114.38 116.15 1iou h ARG 33 Ca -0.27 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.76 1iou h ARG 33 Cb 1.75 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.72 1iou h ARG 33 CO 0.08 0.34 -0.23 1.03 0.10 0.00 0.00 179.97 181.29 1iou h SER 34 N 0.52 -0.54 0.22 0.08 0.87 -1.68 0.32 113.55 113.35 1iou h SER 34 Ca 0.47 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1iou h SER 34 Cb 0.99 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1iou h SER 34 CO -0.20 -0.18 -0.11 0.77 -0.53 0.00 0.00 176.83 176.59 1iou h SER 35 N -0.96 -0.25 -0.41 6.23 4.64 -1.46 -2.34 113.55 119.00 1iou h SER 35 Ca -0.07 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1iou h SER 35 Cb 0.59 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 1iou h SER 35 CO 0.11 -0.04 0.19 0.58 -0.87 0.00 0.00 176.83 176.80 1iou h VAL 36 N -0.46 0.95 -0.69 0.95 2.07 -0.32 -1.08 116.25 117.67 1iou h VAL 36 Ca -0.03 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.49 1iou h VAL 36 Cb 0.35 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1iou h VAL 36 CO 0.05 0.07 0.21 1.23 0.02 0.00 0.00 177.57 179.16 1iou h GLY 37 N 0.39 0.97 1.92 2.17 0.00 -0.86 0.98 103.07 108.63 1iou h GLY 37 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1iou h GLY 37 CO -0.14 -0.11 -0.02 -1.61 0.00 0.00 0.00 176.54 174.66 1iou h GLN 38 N 0.35 0.11 -0.04 4.80 -0.00 -0.78 -0.31 115.11 119.24 1iou h GLN 38 Ca 0.37 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.98 1iou h GLN 38 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1iou h GLN 38 CO -0.41 0.14 -0.10 0.35 0.00 0.00 0.00 178.83 178.81 1iou h PHE 39 N 0.11 0.18 -0.29 3.99 3.04 0.20 -2.24 116.94 121.92 1iou h PHE 39 Ca 0.03 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1iou h PHE 39 Cb 0.11 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1iou h PHE 39 CO 0.00 0.70 0.10 0.00 -2.02 0.00 0.00 178.31 177.09 1iou h MET 40 N -0.39 0.44 0.87 1.11 -0.00 0.25 -2.11 114.93 115.10 1iou h MET 40 Ca -0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.70 59.57 1iou h MET 40 Cb 0.69 -0.07 0.01 0.00 -0.00 0.00 0.00 31.60 32.23 1iou h MET 40 CO 0.02 0.48 -0.42 1.15 -0.00 0.00 0.00 176.91 178.15 1iou h THR 41 N 0.31 0.00 -1.00 -0.10 2.02 -1.16 0.37 112.91 113.36 1iou h THR 41 Ca 0.10 -0.07 0.29 0.00 0.77 0.00 0.00 66.41 67.49 1iou h THR 41 Cb 0.22 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.49 1iou h THR 41 CO -0.01 0.00 0.56 0.15 0.37 0.00 0.00 175.52 176.60 1iou h PHE 42 N -1.24 0.94 -0.17 3.16 3.04 -1.45 0.69 116.94 121.90 1iou h PHE 42 Ca -0.12 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 61.67 1iou h PHE 42 Cb 0.89 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1iou h PHE 42 CO 0.02 -0.08 -0.70 0.35 -2.02 0.00 0.00 178.31 175.88 1iou h PHE 43 N 0.43 0.95 -0.53 0.41 3.57 -1.18 -1.87 116.94 118.72 1iou h PHE 43 Ca 0.69 -0.39 -0.12 0.00 3.53 0.00 0.00 57.97 61.68 1iou h PHE 43 Cb 1.46 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1iou h PHE 43 CO -0.02 1.20 -0.13 0.00 -2.23 0.00 0.00 178.31 177.14 1iou h ALA 44 N 0.70 0.78 -0.22 2.41 0.00 0.43 -0.92 119.26 122.44 1iou h ALA 44 Ca -0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1iou h ALA 44 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1iou h ALA 44 CO 0.14 0.67 -0.36 1.05 0.00 0.00 0.00 179.25 180.75 1iou h GLU 45 N 0.89 0.48 0.45 0.00 4.11 0.06 -2.82 114.58 117.76 1iou h GLU 45 Ca 0.14 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1iou h GLU 45 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1iou h GLU 45 CO 0.05 0.77 -0.22 1.15 0.07 0.00 0.00 179.01 180.84 1iou h THR 46 N 0.40 0.51 -0.22 -1.06 2.02 -1.02 -1.02 112.91 112.53 1iou h THR 46 Ca 0.04 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1iou h THR 46 Cb 0.82 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 1iou h THR 46 CO 0.07 0.06 -0.46 -0.37 0.37 0.00 0.00 175.52 175.19 1iou h VAL 47 N -0.82 0.00 -0.45 3.16 -1.51 -1.13 2.78 116.25 118.28 1iou h VAL 47 Ca -0.06 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.54 1iou h VAL 47 Cb 0.56 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1iou h VAL 47 CO 0.10 0.00 0.34 0.00 -1.23 0.00 0.00 177.57 176.78 1iou h ALA 48 N -0.39 2.38 0.00 5.19 0.00 -1.55 1.51 119.26 126.39 1iou h ALA 48 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1iou h ALA 48 Cb 0.53 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1iou h ALA 48 CO -0.42 -0.57 -0.87 1.03 0.00 0.00 0.00 179.25 178.42 1iou h SER 49 N 0.00 0.00 0.25 0.00 0.87 0.14 -3.33 113.55 111.48 1iou h SER 49 Ca 0.21 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.43 1iou h SER 49 Cb 0.88 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1iou h SER 49 CO -0.00 0.87 -1.84 0.08 -0.53 0.00 0.00 176.83 175.41 1iou h ARG 50 N 0.00 0.24 -6.18 2.24 0.11 0.86 -3.44 114.38 108.20 1iou h ARG 50 Ca -0.01 -0.41 -0.55 0.00 0.10 0.00 0.00 59.98 59.11 1iou h ARG 50 Cb 1.66 0.15 -0.03 0.00 1.11 0.00 0.00 29.97 32.86 1iou h ARG 50 CO 0.11 1.10 1.30 0.99 0.10 0.00 0.00 179.97 183.57 1iou s THR 51 N -2.58 3.45 0.00 0.08 2.01 0.48 -4.84 115.64 114.24 1iou s THR 51 Ca -0.16 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1iou s THR 51 Cb 0.07 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1iou s THR 51 CO 0.81 -0.55 1.83 0.61 -0.69 0.00 0.00 174.62 176.62 1iou n GLY 52 N 5.49 2.33 1.37 4.40 0.00 -1.26 -4.85 105.19 112.67 1iou n GLY 52 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1iou n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iou n ALA 53 N 1.54 -3.24 -1.10 4.61 0.00 -1.26 -4.80 120.51 116.26 1iou n ALA 53 Ca 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 53.44 54.18 1iou n ALA 53 Cb 0.46 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1iou n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iou n GLY 54 N -3.96 0.60 3.47 0.00 0.00 -1.23 -4.97 105.19 99.11 1iou n GLY 54 Ca -0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1iou n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iou s GLU 55 N -1.59 1.08 -0.01 1.61 -1.05 -1.26 -5.05 118.70 112.43 1iou s GLU 55 Ca 0.00 -0.28 -0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1iou s GLU 55 Cb 0.00 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1iou s GLU 55 CO 0.00 -0.45 0.06 -0.98 0.95 0.00 0.00 175.26 174.84 1iou s ARG 56 N -3.03 3.01 -0.08 -4.83 1.70 -1.26 -3.25 118.95 111.22 1iou s ARG 56 Ca 0.00 -0.49 0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1iou s ARG 56 Cb -0.01 -2.82 0.01 0.00 -0.57 0.00 0.00 34.95 31.56 1iou s ARG 56 CO -0.08 0.65 -0.17 -0.65 -1.08 0.00 0.00 175.30 173.97 1iou s GLN 57 N -1.59 2.28 -0.33 3.89 -1.52 -0.10 -4.89 119.66 117.39 1iou s GLN 57 Ca 0.21 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 53.03 1iou s GLN 57 Cb -0.12 -1.79 0.09 0.00 -0.22 0.00 0.00 33.01 30.98 1iou s GLN 57 CO 0.12 0.09 0.04 -1.12 -0.25 0.00 0.00 175.29 174.17 1iou s SER 58 N 0.52 4.79 -0.55 5.90 0.01 -1.23 0.23 113.70 123.35 1iou s SER 58 Ca -0.16 -2.00 -0.23 0.00 1.31 0.00 0.00 55.95 54.86 1iou s SER 58 Cb -0.17 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.46 1iou s SER 58 CO 0.06 -0.37 0.91 0.27 0.41 0.00 0.00 173.24 174.52 1iou s ILE 59 N 0.97 4.44 -0.38 1.44 -4.36 0.38 -4.73 121.20 118.95 1iou s ILE 59 Ca 0.07 0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.47 1iou s ILE 59 Cb -0.20 -4.52 0.01 0.00 1.25 0.00 0.00 42.46 39.00 1iou s ILE 59 CO -0.07 -1.10 0.33 -1.61 0.24 0.00 0.00 174.94 172.72 1iou s GLU 60 N 3.81 3.22 -0.25 0.37 2.02 -1.25 0.59 118.70 127.21 1iou s GLU 60 Ca 0.28 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1iou s GLU 60 Cb -0.14 -3.91 0.10 0.00 0.10 0.00 0.00 34.13 30.29 1iou s GLU 60 CO 0.18 -0.66 0.17 -2.00 0.02 0.00 0.00 175.26 172.97 1iou s GLU 61 N 1.84 0.19 -0.31 1.61 2.12 0.32 -4.96 118.70 119.51 1iou s GLU 61 Ca 0.08 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.07 1iou s GLU 61 Cb -0.18 -1.21 0.01 0.00 0.26 0.00 0.00 34.13 33.01 1iou s GLU 61 CO 0.11 -0.89 0.25 0.41 -0.54 0.00 0.00 175.26 174.60 1iou n GLY 62 N 5.28 -2.18 2.34 -1.50 0.00 -1.26 -2.93 105.19 104.93 1iou n GLY 62 Ca -0.05 0.70 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 1iou n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iou n ASN 63 N 0.42 -2.09 -3.78 1.61 5.15 -1.26 -4.89 115.26 110.42 1iou n ASN 63 Ca 0.02 0.34 -0.16 0.00 -0.60 0.00 0.00 54.58 54.18 1iou n ASN 63 Cb 0.30 -1.91 -0.16 0.00 -0.53 0.00 0.00 39.78 37.48 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1iou s TYR 64 N -2.15 0.14 0.08 1.20 1.51 -1.15 -4.15 117.35 112.83 1iou s TYR 64 Ca 0.00 0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.25 1iou s TYR 64 Cb 0.00 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1iou s TYR 64 CO 0.00 -0.11 -0.26 0.42 -1.11 0.00 0.00 175.55 174.48 1iou s ILE 65 N 1.16 2.24 -0.40 2.71 1.01 0.28 0.12 121.20 128.31 1iou s ILE 65 Ca -0.08 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.04 1iou s ILE 65 Cb -0.13 -1.93 0.13 0.00 0.01 0.00 0.00 42.46 40.53 1iou s ILE 65 CO -0.03 0.24 0.20 -0.83 0.00 0.00 0.00 174.94 174.52 1iou s GLY 66 N -1.63 1.50 0.63 6.18 0.00 0.20 0.55 107.32 114.75 1iou s GLY 66 Ca 0.13 -2.34 -0.18 0.00 0.00 0.00 0.00 44.72 42.33 1iou s GLY 66 CO 0.04 1.57 1.19 0.30 0.00 0.00 0.00 173.10 176.20 1iou s HIS 67 N 0.70 2.37 -0.12 1.90 0.09 0.65 -0.47 115.29 120.41 1iou s HIS 67 Ca 0.16 1.54 -0.12 0.00 -0.00 0.00 0.00 55.06 56.63 1iou s HIS 67 Cb -0.23 -3.43 0.03 0.00 -0.00 0.00 0.00 32.58 28.96 1iou s HIS 67 CO -0.05 -2.18 0.34 0.08 -0.00 0.00 0.00 174.74 172.93 1iou s VAL 68 N -1.78 0.00 -0.21 -0.90 1.01 0.61 0.07 120.40 119.20 1iou s VAL 68 Ca 0.75 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1iou s VAL 68 Cb -0.28 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.71 1iou s VAL 68 CO 0.36 -0.02 0.31 -0.31 0.00 0.00 0.00 175.10 175.44 1iou s TYR 69 N 0.05 -0.59 -0.05 5.22 1.51 -1.02 -0.93 117.35 121.54 1iou s TYR 69 Ca -0.01 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1iou s TYR 69 Cb -0.03 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1iou s TYR 69 CO 0.01 -0.63 -0.03 0.00 -1.11 0.00 0.00 175.55 173.79 1iou s ALA 70 N 2.46 3.15 0.58 3.71 0.00 -1.20 -2.29 121.76 128.17 1iou s ALA 70 Ca 0.09 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1iou s ALA 70 Cb -0.15 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.73 1iou s ALA 70 CO -0.14 0.60 0.80 1.03 0.00 0.00 0.00 175.76 178.05 1iou s ARG 71 N -1.08 2.27 -0.38 0.00 0.52 -1.26 -3.50 118.95 115.52 1iou s ARG 71 Ca 0.15 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 1iou s ARG 71 Cb -0.11 -2.59 0.63 0.00 0.52 0.00 0.00 34.95 33.40 1iou s ARG 71 CO 0.04 -0.88 1.81 0.43 0.02 0.00 0.00 175.30 176.72 1iou n SER 72 N -2.31 3.92 -0.13 0.23 7.64 -1.26 -4.30 113.62 117.40 1iou n SER 72 Ca 0.14 -3.38 -0.28 0.00 1.01 0.00 0.00 58.87 56.36 1iou n SER 72 Cb 0.61 -0.79 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iou n GLU 73 N -0.78 0.58 0.00 1.43 -0.58 -1.26 -5.04 120.64 115.00 1iou n GLU 73 Ca 0.50 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1iou n GLU 73 Cb 1.51 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iou n GLY 74 N 1.28 0.37 3.14 0.62 0.00 -1.26 -4.82 105.19 104.52 1iou n GLY 74 Ca -0.50 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1iou n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1iou s ILE 75 N 0.00 1.68 0.26 -0.61 -1.16 -1.26 -4.12 121.20 115.98 1iou s ILE 75 Ca 0.00 -0.80 0.09 0.00 -0.51 0.00 0.00 60.65 59.43 1iou s ILE 75 Cb 0.00 -1.48 -0.04 0.00 0.61 0.00 0.00 42.46 41.55 1iou s ILE 75 CO 0.00 0.48 0.06 0.00 -2.81 0.00 0.00 174.94 172.67 1iou s GLY 77 N -3.70 1.78 0.06 0.00 0.00 -0.97 -1.10 107.32 103.39 1iou s GLY 77 Ca 0.32 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 43.87 1iou s GLY 77 CO 0.22 -1.20 -0.20 0.14 0.00 0.00 0.00 173.10 172.06 1iou s VAL 78 N -1.19 1.59 0.02 1.40 1.01 -0.76 -2.43 120.40 120.04 1iou s VAL 78 Ca 0.21 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1iou s VAL 78 Cb -0.11 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1iou s VAL 78 CO 0.13 0.07 -0.08 -0.76 0.00 0.00 0.00 175.10 174.46 1iou s LEU 79 N -1.45 2.12 -0.10 3.92 1.02 0.11 -1.14 118.68 123.17 1iou s LEU 79 Ca 0.06 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 1iou s LEU 79 Cb -0.09 -0.29 0.05 0.00 0.02 0.00 0.00 46.19 45.87 1iou s LEU 79 CO 0.03 -0.03 0.12 0.27 0.02 0.00 0.00 176.35 176.75 1iou s ILE 80 N -0.69 -0.18 0.16 -0.59 -4.36 0.13 0.24 121.20 115.91 1iou s ILE 80 Ca -0.02 0.24 0.03 0.00 -0.26 0.00 0.00 60.65 60.64 1iou s ILE 80 Cb -0.06 -0.33 -0.01 0.00 1.25 0.00 0.00 42.46 43.31 1iou s ILE 80 CO 0.00 0.05 0.10 1.07 0.24 0.00 0.00 174.94 176.40 1iou n THR 81 N 5.31 0.00 -2.28 8.37 5.66 0.19 -0.61 114.28 130.92 1iou n THR 81 Ca -0.05 -1.09 -0.27 0.00 -3.05 0.00 0.00 64.05 59.59 1iou n THR 81 Cb 0.50 0.49 0.04 0.00 -1.55 0.00 0.00 70.33 69.80 1iou n THR 81 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iou s ASP 82 N -2.09 5.49 0.64 1.09 -1.08 -1.07 0.10 116.67 119.76 1iou s ASP 82 Ca 0.15 0.77 0.34 0.00 -0.52 0.00 0.00 52.55 53.29 1iou s ASP 82 Cb 0.01 -1.70 1.86 0.00 -1.46 0.00 0.00 42.92 41.63 1iou s ASP 82 CO 0.10 -1.17 2.09 0.50 0.52 0.00 0.00 175.17 177.22 1iou h LYS 83 N -0.31 0.00 -1.55 4.34 3.11 -1.88 -1.49 116.57 118.79 1iou h LYS 83 Ca -0.45 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.08 1iou h LYS 83 Cb 1.26 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.36 1iou h LYS 83 CO 0.61 0.00 0.39 1.04 -2.81 0.00 0.00 179.45 178.69 1iou n GLN 84 N -3.22 1.76 -3.24 1.90 6.02 -1.26 -4.52 117.38 114.81 1iou n GLN 84 Ca -0.01 -1.47 -0.18 0.00 -0.01 0.00 0.00 57.00 55.33 1iou n GLN 84 Cb 0.29 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 29.91 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1iou s TYR 85 N -1.71 -0.10 0.71 1.08 6.14 -0.56 -4.61 117.35 118.31 1iou s TYR 85 Ca 0.29 -1.31 -0.17 0.00 0.64 0.00 0.00 57.07 56.52 1iou s TYR 85 Cb 0.23 -0.43 -0.13 0.00 0.42 0.00 0.00 41.96 42.06 1iou s TYR 85 CO -0.00 -0.99 -0.22 -2.30 0.64 0.00 0.00 175.55 172.68 1iou n PRO 86 N 3.44 0.05 0.14 4.97 -0.02 -1.26 -4.86 135.00 137.47 1iou n PRO 86 Ca 0.19 0.03 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 1iou n PRO 86 Cb 0.48 -1.17 0.14 0.00 -0.02 0.00 0.00 33.50 32.93 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iou h VAL 87 N -0.42 1.09 -0.32 -1.45 2.07 -1.98 -3.31 116.25 111.93 1iou h VAL 87 Ca -0.43 -2.15 0.06 0.00 0.82 0.00 0.00 66.70 65.00 1iou h VAL 87 Cb 1.38 2.28 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 1iou h VAL 87 CO 0.36 0.54 -0.41 0.03 0.02 0.00 0.00 177.57 178.12 1iou h ARG 88 N 0.00 -0.35 0.00 1.57 3.08 -2.00 0.43 114.38 117.12 1iou h ARG 88 Ca -0.01 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1iou h ARG 88 Cb 1.23 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1iou h ARG 88 CO 0.07 -0.23 -0.12 -1.00 -1.07 0.00 0.00 179.97 177.62 1iou h PRO 89 N -0.36 0.00 0.00 0.04 0.13 -1.94 0.14 132.00 130.02 1iou h PRO 89 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1iou h PRO 89 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1iou h PRO 89 CO -0.52 0.12 -0.39 0.00 -0.23 0.00 0.00 178.00 176.98 1iou h ALA 90 N 1.88 1.21 -0.10 -0.56 0.00 -0.48 0.50 119.26 121.72 1iou h ALA 90 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1iou h ALA 90 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iou h ALA 90 CO 0.02 0.49 -0.05 -0.92 0.00 0.00 0.00 179.25 178.79 1iou h TYR 91 N 0.00 0.25 -0.58 0.00 5.03 0.25 0.44 116.97 122.35 1iou h TYR 91 Ca -0.00 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 1iou h TYR 91 Cb 0.76 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 1iou h TYR 91 CO 0.00 0.56 0.23 1.15 -1.32 0.00 0.00 178.16 178.79 1iou h THR 92 N -0.14 1.23 -0.00 1.81 2.02 -0.88 0.26 112.91 117.20 1iou h THR 92 Ca 0.02 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 1iou h THR 92 Cb 0.50 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1iou h THR 92 CO 0.01 0.27 -0.00 0.25 0.37 0.00 0.00 175.52 176.43 1iou h LEU 93 N 0.80 0.00 -0.20 2.58 6.46 0.07 -2.01 115.31 123.01 1iou h LEU 93 Ca 0.19 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1iou h LEU 93 Cb 0.20 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1iou h LEU 93 CO -0.02 0.33 0.00 -0.11 -0.62 0.00 0.00 178.44 178.03 1iou n LEU 94 N -4.93 0.17 0.02 2.25 7.94 0.15 -2.09 117.00 120.51 1iou n LEU 94 Ca -0.08 0.55 -0.02 0.00 -1.11 0.00 0.00 56.01 55.35 1iou n LEU 94 Cb 0.18 -0.53 -0.01 0.00 0.53 0.00 0.00 43.42 43.59 1iou n LEU 94 CO 0.33 -0.37 0.07 -1.13 -1.11 0.00 0.00 177.39 175.19 1iou h ASN 95 N 0.00 -0.10 -0.99 1.96 -0.73 0.21 -2.65 115.58 113.28 1iou h ASN 95 Ca 0.00 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.24 1iou h ASN 95 Cb 0.24 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.79 1iou h ASN 95 CO 0.00 0.21 0.64 0.11 -0.37 0.00 0.00 177.43 178.01 1iou h LYS 96 N -0.69 1.12 0.43 6.67 6.56 -1.37 -0.50 116.57 128.79 1iou h LYS 96 Ca -0.01 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1iou h LYS 96 Cb 0.09 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1iou h LYS 96 CO 0.02 0.74 -0.21 0.97 -2.06 0.00 0.00 179.45 178.91 1iou h ILE 97 N 1.15 0.58 -0.32 1.86 2.10 -1.56 1.17 117.51 122.49 1iou h ILE 97 Ca 0.43 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.39 1iou h ILE 97 Cb 0.17 0.58 -0.03 0.00 -1.09 0.00 0.00 36.82 36.46 1iou h ILE 97 CO -0.18 0.00 0.15 -0.07 -1.08 0.00 0.00 178.15 176.98 1iou h LEU 98 N -0.57 0.22 -1.67 2.19 4.07 -1.13 1.46 115.31 119.89 1iou h LEU 98 Ca -0.06 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1iou h LEU 98 Cb 0.44 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1iou h LEU 98 CO 0.10 0.17 -0.19 -0.78 -1.08 0.00 0.00 178.44 176.65 1iou h ASP 99 N 0.32 0.00 0.89 -0.43 1.82 -0.94 -0.55 116.42 117.53 1iou h ASP 99 Ca 0.13 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.59 1iou h ASP 99 Cb 0.05 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 1iou h ASP 99 CO -0.10 0.19 -0.89 -0.08 -1.61 0.00 0.00 179.24 176.76 1iou h GLU 100 N 0.00 0.00 0.00 0.28 4.57 0.35 -3.05 114.58 116.73 1iou h GLU 100 Ca -0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1iou h GLU 100 Cb 0.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1iou h GLU 100 CO 0.03 0.89 -0.43 -0.92 -1.18 0.00 0.00 179.01 177.39 1iou h TYR 101 N 0.00 0.00 0.00 0.92 5.03 0.35 -2.54 116.97 120.73 1iou h TYR 101 Ca -0.01 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 1iou h TYR 101 Cb 1.57 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.84 1iou h TYR 101 CO 0.00 0.43 -0.55 -0.07 -1.32 0.00 0.00 178.16 176.65 1iou h LEU 102 N 0.00 0.00 0.03 2.82 3.38 -1.26 -3.30 115.31 116.98 1iou h LEU 102 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iou h LEU 102 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1iou h LEU 102 CO 0.06 0.55 -0.02 0.58 0.09 0.00 0.00 178.44 179.70 1iou h VAL 103 N 0.00 1.35 -0.17 1.22 2.07 -1.38 -3.06 116.25 116.29 1iou h VAL 103 Ca -0.01 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1iou h VAL 103 Cb 1.15 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1iou h VAL 103 CO 0.07 0.33 0.78 0.00 0.02 0.00 0.00 177.57 178.77 1iou h ALA 104 N 0.30 1.93 -1.37 1.67 0.00 -1.59 -3.38 119.26 116.82 1iou h ALA 104 Ca -0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1iou h ALA 104 Cb 0.57 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.08 1iou h ALA 104 CO 0.01 -0.87 0.52 -3.38 0.00 0.00 0.00 179.25 175.53 1iou s HIS 105 N -4.13 -0.39 0.37 0.00 0.00 -1.16 -5.15 115.29 104.83 1iou s HIS 105 Ca -0.02 0.79 -0.09 0.00 -3.00 0.00 0.00 55.06 52.74 1iou s HIS 105 Cb 0.06 0.26 -0.08 0.00 -4.00 0.00 0.00 32.58 28.81 1iou s HIS 105 CO 0.19 -0.19 -0.21 -2.30 -1.00 0.00 0.00 174.74 171.23 1iou n PRO 106 N 3.34 0.00 -0.08 -0.38 -0.02 -1.21 -4.51 135.00 132.15 1iou n PRO 106 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 1iou n PRO 106 Cb 0.57 -0.53 -0.08 0.00 -0.02 0.00 0.00 33.50 33.44 1iou n PRO 106 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1iou h LYS 107 N -0.21 -0.35 0.00 -0.52 5.09 -1.96 -2.21 116.57 116.41 1iou h LYS 107 Ca -0.23 0.02 -0.10 0.00 0.09 0.00 0.00 60.65 60.44 1iou h LYS 107 Cb 0.74 0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.14 1iou h LYS 107 CO 0.18 -0.24 -0.49 1.49 -2.09 0.00 0.00 179.45 178.31 1iou h GLU 108 N -0.37 0.00 -0.94 0.07 4.22 -1.96 -3.17 114.58 112.44 1iou h GLU 108 Ca 0.05 0.00 0.28 0.00 0.08 0.00 0.00 59.36 59.76 1iou h GLU 108 Cb 0.50 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.58 1iou h GLU 108 CO -0.43 0.49 0.22 1.49 -2.18 0.00 0.00 179.01 178.60 1iou h GLU 109 N 0.00 0.11 0.00 1.92 4.81 -1.69 -2.84 114.58 116.89 1iou h GLU 109 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1iou h GLU 109 Cb 1.05 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1iou h GLU 109 CO 0.06 0.07 -0.52 0.11 -0.73 0.00 0.00 179.01 178.00 1iou h TRP 110 N 0.11 0.00 -2.06 0.92 5.08 -1.61 -3.45 115.95 114.94 1iou h TRP 110 Ca 0.62 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.48 1iou h TRP 110 Cb 1.34 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.47 1iou h TRP 110 CO -0.30 0.19 -0.10 0.00 -1.28 0.00 0.00 178.44 176.95 1iou n ALA 111 N -3.48 -0.17 0.00 0.11 0.00 -1.07 0.60 120.51 116.50 1iou n ALA 111 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iou n ALA 111 Cb 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1iou n ALA 111 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iou n ASP 112 N 0.19 0.00 -2.16 0.00 5.68 -1.26 -4.67 116.55 114.32 1iou n ASP 112 Ca -0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.22 1iou n ASP 112 Cb 0.21 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1iou n VAL 113 N 0.00-10.59 -0.03 2.12 0.31 0.20 -4.67 118.33 105.67 1iou n VAL 113 Ca 0.00 2.26 0.04 0.00 -0.01 0.00 0.00 64.34 66.63 1iou n VAL 113 Cb 0.00 -5.58 0.22 0.00 -0.91 0.00 0.00 33.84 27.57 1iou n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1iou n THR 114 N 1.33 1.50 -2.68 2.52 -2.24 -1.26 -4.20 114.28 109.26 1iou n THR 114 Ca -0.16 -0.76 -0.05 0.00 -2.27 0.00 0.00 64.05 60.81 1iou n THR 114 Cb 0.25 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.20 1iou n THR 114 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iou n GLU 115 N 0.35 0.41 -0.03 -0.78 0.28 -1.26 -5.16 120.64 114.45 1iou n GLU 115 Ca 0.15 -1.05 -0.02 0.00 -0.16 0.00 0.00 57.16 56.09 1iou n GLU 115 Cb 0.77 -0.32 0.02 0.00 1.43 0.00 0.00 31.44 33.34 1iou n GLU 115 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1iou n THR 116 N 0.23 0.00 -2.35 3.84 5.66 -1.26 -4.94 114.28 115.46 1iou n THR 116 Ca -0.06 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 1iou n THR 116 Cb 0.73 -0.06 0.01 0.00 -1.55 0.00 0.00 70.33 69.46 1iou n THR 116 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1iou n ASN 117 N -2.34 5.02 0.19 1.09 6.94 -1.16 -4.82 115.26 120.19 1iou n ASN 117 Ca 0.01 -3.74 0.16 0.00 -0.02 0.00 0.00 54.58 51.00 1iou n ASN 117 Cb 0.04 -0.50 0.65 0.00 -2.36 0.00 0.00 39.78 37.60 1iou n ASN 117 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1iou h ASP 118 N 2.55 0.00 0.71 0.53 3.04 -1.71 1.22 116.42 122.76 1iou h ASP 118 Ca 0.34 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.87 1iou h ASP 118 Cb 0.93 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.20 1iou h ASP 118 CO 0.90 0.00 -1.27 0.00 -2.04 0.00 0.00 179.24 176.83 1iou h ALA 119 N 1.13 0.30 0.03 4.15 0.00 -1.87 -3.32 119.26 119.69 1iou h ALA 119 Ca 0.12 -1.01 -0.27 0.00 0.00 0.00 0.00 54.91 53.75 1iou h ALA 119 Cb 1.22 0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1iou h ALA 119 CO -0.00 1.18 -1.06 1.25 0.00 0.00 0.00 179.25 180.62 1iou h LEU 120 N 0.04 0.88 0.45 0.00 5.85 0.99 -3.47 115.31 120.04 1iou h LEU 120 Ca -0.13 -0.76 -0.19 0.00 0.84 0.00 0.00 57.88 57.64 1iou h LEU 120 Cb 1.91 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 1iou h LEU 120 CO 0.15 1.53 -0.17 0.29 -0.34 0.00 0.00 178.44 179.90 1iou n LYS 121 N -3.87 -1.41 -2.77 1.25 5.02 0.45 -4.14 118.16 112.69 1iou n LYS 121 Ca -0.12 0.79 -0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1iou n LYS 121 Cb 0.89 -5.03 -0.03 0.00 -0.02 0.00 0.00 35.03 30.85 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1iou n MET 122 N -1.22 -3.47 -0.11 1.97 1.56 -1.26 -4.11 117.12 110.48 1iou n MET 122 Ca -0.09 2.71 0.27 0.00 -0.27 0.00 0.00 57.70 60.32 1iou n MET 122 Cb 0.50 -3.75 0.69 0.00 2.15 0.00 0.00 33.22 32.81 1iou n MET 122 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1iou h LYS 123 N 4.33 0.00 0.00 2.12 1.57 -2.00 -2.00 116.57 120.59 1iou h LYS 123 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1iou h LYS 123 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1iou h LYS 123 CO 0.01 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 1iou n GLN 124 N -3.79 0.00 -0.34 3.15 1.13 -1.26 -2.17 117.38 114.10 1iou n GLN 124 Ca 0.17 0.23 0.28 0.00 -1.94 0.00 0.00 57.00 55.74 1iou n GLN 124 Cb 1.02 -1.13 0.60 0.00 0.11 0.00 0.00 30.24 30.83 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1iou h LEU 125 N 0.00 0.29 0.74 1.08 8.10 -1.74 -1.11 115.31 122.67 1iou h LEU 125 Ca 0.00 0.07 -0.03 0.00 0.11 0.00 0.00 57.88 58.02 1iou h LEU 125 Cb 0.00 0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1iou h LEU 125 CO 0.00 0.03 -0.41 0.44 -4.11 0.00 0.00 178.44 174.38 1iou h ASP 126 N 0.24 -1.02 0.01 0.17 3.32 -1.39 0.13 116.42 117.88 1iou h ASP 126 Ca 0.62 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.72 1iou h ASP 126 Cb 1.87 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 41.71 1iou h ASP 126 CO -0.23 -0.66 -0.01 0.74 -1.72 0.00 0.00 179.24 177.35 1iou h THR 127 N -1.07 0.88 0.45 0.35 2.02 -0.73 -1.44 112.91 113.37 1iou h THR 127 Ca -0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1iou h THR 127 Cb 0.85 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1iou h THR 127 CO 0.12 0.01 -0.22 1.88 0.37 0.00 0.00 175.52 177.69 1iou h TYR 128 N 0.00 -0.56 -0.15 3.16 0.05 -0.81 -2.63 116.97 116.03 1iou h TYR 128 Ca -0.00 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1iou h TYR 128 Cb 0.02 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1iou h TYR 128 CO 0.00 -0.28 0.20 0.97 -1.05 0.00 0.00 178.16 178.00 1iou h ILE 129 N -1.10 0.38 0.32 -2.88 -0.00 -0.54 0.24 117.51 113.94 1iou h ILE 129 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.78 1iou h ILE 129 Cb 0.53 0.83 0.00 0.00 -0.00 0.00 0.00 36.82 38.18 1iou h ILE 129 CO 0.10 0.00 -0.15 -1.28 -0.00 0.00 0.00 178.15 176.82 1iou h SER 130 N 0.00 -0.36 1.05 2.19 0.87 -1.18 -3.27 113.55 112.85 1iou h SER 130 Ca 0.07 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 1iou h SER 130 Cb 0.47 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1iou h SER 130 CO -0.00 0.09 -0.66 0.07 -0.53 0.00 0.00 176.83 175.80 1iou h LYS 131 N -0.97 0.00 0.00 2.24 -0.00 -1.09 -3.14 116.57 113.62 1iou h LYS 131 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 1iou h LYS 131 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.73 1iou h LYS 131 CO 0.07 0.66 0.00 0.66 -0.00 0.00 0.00 179.45 180.84 1iou n TYR 132 N -3.42 0.54 -0.43 0.07 4.01 0.82 -2.91 117.16 115.84 1iou n TYR 132 Ca 0.00 0.27 0.40 0.00 -0.16 0.00 0.00 57.90 58.41 1iou n TYR 132 Cb 0.74 -0.93 0.70 0.00 -0.31 0.00 0.00 39.34 39.54 1iou n TYR 132 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1iou h GLN 133 N 0.00 0.00 0.00 -0.72 4.20 -1.59 -3.36 115.11 113.63 1iou h GLN 133 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iou h GLN 133 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1iou h GLN 133 CO 0.00 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.91 1iou n ASP 134 N -3.79 0.00 0.01 1.46 9.92 -1.15 -3.34 116.55 119.66 1iou n ASP 134 Ca 0.32 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.40 1iou n ASP 134 Cb 1.61 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.97 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1iou h PRO 135 N 0.00 0.34 0.00 -0.24 0.13 -1.70 -3.43 132.00 127.10 1iou h PRO 135 Ca 0.00 -0.41 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1iou h PRO 135 Cb 0.00 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 31.20 1iou h PRO 135 CO 0.00 1.11 -0.13 0.43 -0.23 0.00 0.00 178.00 179.17 1iou n SER 136 N -4.25 -0.46 -2.62 1.44 7.64 -1.26 -4.98 113.62 109.14 1iou n SER 136 Ca -0.11 -1.05 -0.09 0.00 1.01 0.00 0.00 58.87 58.63 1iou n SER 136 Cb 0.68 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 1iou n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 137 N 0.00 -2.62 -3.15 1.43 3.00 -1.26 -1.76 117.38 113.02 1iou n GLN 137 Ca -0.13 0.32 -0.22 0.00 -0.01 0.00 0.00 57.00 56.96 1iou n GLN 137 Cb 0.47 -4.89 0.02 0.00 0.00 0.00 0.00 30.24 25.84 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iou n ALA 138 N -2.52 -2.69 -2.86 -1.58 0.00 -1.26 -4.08 120.51 105.53 1iou n ALA 138 Ca -0.06 0.79 -0.08 0.00 0.00 0.00 0.00 53.44 54.09 1iou n ALA 138 Cb 0.55 -3.07 0.04 0.00 0.00 0.00 0.00 19.45 16.97 1iou n ALA 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 139 N -0.23 -6.14 -0.19 0.00 2.03 -1.07 -4.97 116.55 105.98 1iou n ASP 139 Ca 0.02 -0.38 0.02 0.00 0.52 0.00 0.00 54.79 54.98 1iou n ASP 139 Cb 0.56 -4.40 0.02 0.00 -0.72 0.00 0.00 41.12 36.58 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28