#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 -0.42 -1.99 0.03 5.12 -1.26 -4.81 116.66 113.33 1iou n ARG 2 Ca 0.00 0.28 -0.39 0.00 -1.93 0.00 0.00 57.85 55.81 1iou n ARG 2 Cb 0.00 -0.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.80 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1iou s ILE 3 N -0.43 2.50 -0.02 0.55 2.07 -1.26 -2.01 121.20 122.60 1iou s ILE 3 Ca 0.00 0.42 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 1iou s ILE 3 Cb 0.00 -3.23 -0.01 0.00 0.13 0.00 0.00 42.46 39.35 1iou s ILE 3 CO 0.00 0.03 -0.02 -1.22 -1.91 0.00 0.00 174.94 171.83 1iou n TYR 4 N -0.33 0.00 -3.83 3.50 4.01 -1.05 -4.86 117.16 114.60 1iou n TYR 4 Ca 0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.70 1iou n TYR 4 Cb 0.45 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.04 0.03 0.18 -0.72 6.14 0.08 0.15 117.35 121.17 1iou s TYR 5 Ca -0.03 -0.22 -0.11 0.00 0.64 0.00 0.00 57.07 57.35 1iou s TYR 5 Cb 0.01 -0.01 -0.00 0.00 0.42 0.00 0.00 41.96 42.37 1iou s TYR 5 CO 0.05 -0.43 0.35 0.42 0.64 0.00 0.00 175.55 176.57 1iou s ILE 6 N -2.47 0.05 -4.12 3.14 1.01 0.07 0.16 121.20 119.03 1iou s ILE 6 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1iou s ILE 6 Cb -0.01 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1iou s ILE 6 CO -0.03 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1iou n GLY 7 N -0.26 -0.53 3.20 6.18 0.00 -0.48 -0.36 105.19 112.94 1iou n GLY 7 Ca -0.07 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 0.10 -0.14 1.61 1.01 0.13 -1.71 120.40 118.39 1iou s VAL 8 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1iou s VAL 8 Cb 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.54 1iou s VAL 8 CO 0.00 -0.45 0.32 -0.36 0.00 0.00 0.00 175.10 174.61 1iou s PHE 9 N -2.50 -0.50 -0.23 5.22 0.40 0.31 -0.10 117.98 120.58 1iou s PHE 9 Ca -0.05 1.08 -0.29 0.00 -0.60 0.00 0.00 56.93 57.07 1iou s PHE 9 Cb -0.01 0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.64 1iou s PHE 9 CO -0.03 -0.34 1.05 0.50 0.70 0.00 0.00 175.22 177.10 1iou s ARG 10 N 1.85 4.26 -0.68 0.44 3.00 0.17 -1.85 118.95 126.15 1iou s ARG 10 Ca -0.05 1.38 -0.29 0.00 -1.00 0.00 0.00 55.73 55.77 1iou s ARG 10 Cb -0.11 -3.65 -0.13 0.00 0.00 0.00 0.00 34.95 31.06 1iou s ARG 10 CO -0.10 -0.63 2.51 0.43 0.00 0.00 0.00 175.30 177.50 1iou n SER 11 N 6.33 1.49 0.00 -2.12 7.64 -1.25 -0.36 113.62 125.35 1iou n SER 11 Ca 0.12 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1iou n SER 11 Cb 0.46 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1iou n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iou n GLY 12 N 6.26 0.92 0.00 0.23 0.00 -0.91 -4.87 105.19 106.82 1iou n GLY 12 Ca 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.34 0.18 -0.02 0.00 -1.26 -4.78 105.19 103.98 1iou n GLY 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 -3.47 114.58 115.53 1iou h GLU 14 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1iou h GLU 14 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1iou h GLU 14 CO 0.00 0.00 -0.22 0.36 -0.73 0.00 0.00 179.01 178.42 1iou n LYS 15 N -2.92 0.66 -3.28 1.92 0.00 -1.26 -5.02 118.16 108.26 1iou n LYS 15 Ca 0.03 -2.98 -0.38 0.00 -0.00 0.00 0.00 58.31 54.98 1iou n LYS 15 Cb 0.52 2.77 -0.06 0.00 -0.00 0.00 0.00 35.03 38.27 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 -2.93 3.51 0.09 0.58 0.00 -1.21 -2.14 121.76 119.66 1iou s ALA 16 Ca 0.32 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1iou s ALA 16 Cb -0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 1iou s ALA 16 CO 0.23 0.16 0.96 -1.17 0.00 0.00 0.00 175.76 175.94 1iou s LEU 17 N -0.08 4.47 -0.45 0.00 0.20 0.51 -4.83 118.68 118.50 1iou s LEU 17 Ca 0.28 1.76 -0.27 0.00 0.69 0.00 0.00 54.13 56.59 1iou s LEU 17 Cb -0.17 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 41.97 1iou s LEU 17 CO 0.15 -0.10 2.17 -1.83 -0.29 0.00 0.00 176.35 176.44 1iou s GLU 18 N 0.20 2.55 0.00 1.98 1.03 -1.26 -0.65 118.70 122.55 1iou s GLU 18 Ca 0.48 1.32 0.00 0.00 0.03 0.00 0.00 54.97 56.80 1iou s GLU 18 Cb -0.23 -4.45 0.00 0.00 -0.80 0.00 0.00 34.13 28.65 1iou s GLU 18 CO 0.29 -2.77 0.13 -0.11 -1.33 0.00 0.00 175.26 171.47 1iou n LEU 19 N 13.73 0.43 -3.66 1.83 7.94 0.85 -3.32 117.00 134.81 1iou n LEU 19 Ca 0.30 0.48 -0.18 0.00 -1.11 0.00 0.00 56.01 55.51 1iou n LEU 19 Cb 0.51 -0.42 -0.16 0.00 0.53 0.00 0.00 43.42 43.89 1iou n LEU 19 CO 0.70 -0.42 -0.25 -0.94 -1.11 0.00 0.00 177.39 175.37 1iou s SER 20 N -2.57 0.90 -0.27 1.96 1.04 -0.74 0.22 113.70 114.23 1iou s SER 20 Ca 0.00 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.58 1iou s SER 20 Cb 0.00 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1iou s SER 20 CO 0.00 -0.25 0.11 -1.61 0.98 0.00 0.00 173.24 172.47 1iou s GLU 21 N 2.27 3.59 -0.06 4.02 2.02 -1.26 0.18 118.70 129.46 1iou s GLU 21 Ca 0.04 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.55 1iou s GLU 21 Cb -0.12 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 1iou s GLU 21 CO -0.06 -0.26 -0.24 0.54 0.02 0.00 0.00 175.26 175.26 1iou s VAL 22 N 1.64 1.99 0.25 2.63 0.11 0.52 -4.70 120.40 122.83 1iou s VAL 22 Ca 0.06 -1.02 0.10 0.00 -2.93 0.00 0.00 61.98 58.18 1iou s VAL 22 Cb -0.16 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 1iou s VAL 22 CO 0.06 0.55 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.68 1iou s LYS 23 N -0.04 1.53 -0.20 1.54 1.02 -1.26 -0.75 119.74 121.57 1iou s LYS 23 Ca -0.07 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.17 1iou s LYS 23 Cb -0.14 -1.44 0.07 0.00 -0.52 0.00 0.00 37.83 35.80 1iou s LYS 23 CO 0.05 0.24 0.10 0.34 -0.92 0.00 0.00 175.35 175.15 1iou s ASP 24 N -3.43 2.65 -0.55 2.83 2.15 0.39 -4.94 116.67 115.78 1iou s ASP 24 Ca 0.27 -0.79 0.04 0.00 0.43 0.00 0.00 52.55 52.50 1iou s ASP 24 Cb -0.02 -0.27 0.16 0.00 -0.30 0.00 0.00 42.92 42.48 1iou s ASP 24 CO 0.11 -0.37 0.37 -0.76 -0.17 0.00 0.00 175.17 174.35 1iou s LEU 25 N 2.13 3.45 -0.04 -1.34 1.43 -1.26 -4.48 118.68 118.56 1iou s LEU 25 Ca 0.04 -3.26 -0.01 0.00 -1.03 0.00 0.00 54.13 49.87 1iou s LEU 25 Cb -0.16 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1iou s LEU 25 CO -0.16 -0.17 -0.01 -1.28 0.23 0.00 0.00 176.35 174.96 1iou h SER 26 N 5.94 0.00 1.00 2.29 0.87 -1.94 -3.38 113.55 118.33 1iou h SER 26 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1iou h SER 26 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1iou h SER 26 CO 0.58 0.20 0.00 0.06 -0.53 0.00 0.00 176.83 177.13 1iou h GLN 27 N -0.35 0.00 -6.44 2.24 -0.00 -1.96 -3.42 115.11 105.18 1iou h GLN 27 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 58.07 1iou h GLN 27 Cb 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.44 1iou h GLN 27 CO 0.00 0.00 0.79 -0.06 -0.00 0.00 0.00 178.83 179.56 1iou s PHE 28 N -3.43 2.82 0.00 0.06 0.40 -1.26 -5.02 117.98 111.54 1iou s PHE 28 Ca 0.04 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1iou s PHE 28 Cb 0.09 -4.27 0.00 0.00 0.51 0.00 0.00 43.02 39.35 1iou s PHE 28 CO 0.49 -1.27 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1iou n GLY 29 N 4.93 -2.88 0.15 4.36 0.00 -1.26 -3.79 105.19 106.70 1iou n GLY 29 Ca 0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.00 -0.34 -0.33 1.61 0.04 -1.97 1.20 116.94 116.14 1iou h PHE 30 Ca 0.00 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.86 1iou h PHE 30 Cb 0.00 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1iou h PHE 30 CO 0.00 -0.21 0.25 0.74 -0.60 0.00 0.00 178.31 178.49 1iou h PHE 31 N -0.45 0.00 0.17 -0.55 0.04 -2.01 -0.61 116.94 113.52 1iou h PHE 31 Ca -0.04 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.43 1iou h PHE 31 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.45 1iou h PHE 31 CO 0.11 0.00 -1.37 0.93 -0.60 0.00 0.00 178.31 177.38 1iou h GLU 32 N 0.00 0.36 -0.85 1.51 3.07 -1.84 -2.93 114.58 113.90 1iou h GLU 32 Ca 0.16 -0.62 0.07 0.00 -0.50 0.00 0.00 59.36 58.46 1iou h GLU 32 Cb 0.66 0.23 -0.06 0.00 -0.84 0.00 0.00 28.75 28.74 1iou h GLU 32 CO -0.00 1.29 0.55 -0.09 -1.40 0.00 0.00 179.01 179.36 1iou h ARG 33 N 0.10 0.90 -0.01 2.33 2.43 0.31 0.45 114.38 120.89 1iou h ARG 33 Ca -0.19 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 1iou h ARG 33 Cb 2.05 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1iou h ARG 33 CO 0.22 0.59 -0.21 1.03 -1.51 0.00 0.00 179.97 180.09 1iou h SER 34 N 0.93 0.21 0.55 -3.80 0.87 -1.53 -1.81 113.55 108.96 1iou h SER 34 Ca 0.37 -0.74 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1iou h SER 34 Cb 0.25 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1iou h SER 34 CO -0.14 0.92 -0.27 0.77 -0.53 0.00 0.00 176.83 177.59 1iou h SER 35 N -0.49 -0.63 -0.26 6.23 4.64 -1.27 -2.38 113.55 119.39 1iou h SER 35 Ca -0.02 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1iou h SER 35 Cb 0.94 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1iou h SER 35 CO 0.04 -0.36 0.08 0.58 -0.87 0.00 0.00 176.83 176.30 1iou h VAL 36 N -0.87 0.92 -0.66 0.95 2.07 -0.24 -1.70 116.25 116.71 1iou h VAL 36 Ca -0.08 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.52 1iou h VAL 36 Cb 0.62 0.71 -0.12 0.00 -1.52 0.00 0.00 31.29 30.98 1iou h VAL 36 CO 0.12 0.04 -0.05 1.23 0.02 0.00 0.00 177.57 178.93 1iou h GLY 37 N 0.19 0.65 1.71 2.17 0.00 -1.30 1.06 103.07 107.55 1iou h GLY 37 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1iou h GLY 37 CO -0.13 -0.24 0.09 -1.61 0.00 0.00 0.00 176.54 174.65 1iou h GLN 38 N 0.08 0.38 -0.43 4.80 5.75 -0.96 -1.45 115.11 123.28 1iou h GLN 38 Ca 0.34 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.71 1iou h GLN 38 Cb 0.56 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1iou h GLN 38 CO -0.60 0.34 -0.07 0.35 -2.65 0.00 0.00 178.83 176.20 1iou h PHE 39 N 0.38 0.90 0.87 3.99 3.04 0.18 -1.36 116.94 124.93 1iou h PHE 39 Ca 0.09 -0.18 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 1iou h PHE 39 Cb 0.12 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 38.41 1iou h PHE 39 CO 0.00 0.90 -0.42 0.52 -2.02 0.00 0.00 178.31 177.30 1iou h MET 40 N 0.64 -1.12 0.61 1.11 2.86 0.88 -2.15 114.93 117.76 1iou h MET 40 Ca 0.12 0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1iou h MET 40 Cb 0.59 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1iou h MET 40 CO 0.04 -0.74 -0.44 1.15 1.06 0.00 0.00 176.91 177.98 1iou h THR 41 N -1.26 0.12 -0.98 2.22 2.02 -1.36 0.40 112.91 114.07 1iou h THR 41 Ca -0.12 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.38 1iou h THR 41 Cb 0.90 0.12 -0.15 0.00 -1.74 0.00 0.00 68.15 67.28 1iou h THR 41 CO 0.20 0.00 0.49 0.15 0.37 0.00 0.00 175.52 176.72 1iou h PHE 42 N -1.01 0.79 -0.02 3.16 3.57 -1.32 1.19 116.94 123.29 1iou h PHE 42 Ca -0.07 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 1iou h PHE 42 Cb 0.84 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1iou h PHE 42 CO -0.15 -0.22 -0.88 0.35 -2.23 0.00 0.00 178.31 175.17 1iou h PHE 43 N 0.26 0.61 -0.09 0.41 3.04 -0.87 -2.35 116.94 117.96 1iou h PHE 43 Ca 0.71 -0.31 -0.13 0.00 3.98 0.00 0.00 57.97 62.22 1iou h PHE 43 Cb 1.62 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 40.04 1iou h PHE 43 CO -0.07 1.12 -0.51 0.00 -2.02 0.00 0.00 178.31 176.83 1iou h ALA 44 N 0.78 0.98 -0.11 2.41 0.00 0.54 -1.83 119.26 122.03 1iou h ALA 44 Ca -0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 1iou h ALA 44 Cb 1.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1iou h ALA 44 CO 0.15 0.66 -0.85 1.05 0.00 0.00 0.00 179.25 180.27 1iou h GLU 45 N 0.18 0.77 0.28 0.00 4.11 0.69 -2.83 114.58 117.78 1iou h GLU 45 Ca 0.01 -0.68 -0.01 0.00 0.07 0.00 0.00 59.36 58.75 1iou h GLU 45 Cb 0.96 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1iou h GLU 45 CO 0.08 1.27 -0.15 1.15 0.07 0.00 0.00 179.01 181.43 1iou h THR 46 N 0.50 0.68 -0.24 -1.06 2.02 -1.30 -1.27 112.91 112.25 1iou h THR 46 Ca -0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1iou h THR 46 Cb 1.48 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.51 1iou h THR 46 CO 0.17 0.00 -0.46 -0.37 0.37 0.00 0.00 175.52 175.23 1iou h VAL 47 N -0.40 0.00 -0.98 3.16 -1.51 -1.37 0.96 116.25 116.11 1iou h VAL 47 Ca -0.03 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.72 1iou h VAL 47 Cb 0.32 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.44 1iou h VAL 47 CO 0.04 0.00 0.71 0.00 -1.23 0.00 0.00 177.57 177.09 1iou h ALA 48 N -0.36 2.91 -0.27 5.19 0.00 -1.40 1.45 119.26 126.78 1iou h ALA 48 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1iou h ALA 48 Cb 0.53 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1iou h ALA 48 CO -0.44 -1.19 -0.32 0.66 0.00 0.00 0.00 179.25 177.96 1iou h SER 49 N 0.02 0.74 0.14 0.00 4.64 0.18 -2.83 113.55 116.44 1iou h SER 49 Ca 0.47 -0.49 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1iou h SER 49 Cb 1.86 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.73 1iou h SER 49 CO -0.01 1.08 -0.32 0.03 -0.87 0.00 0.00 176.83 176.74 1iou h ARG 50 N 0.41 0.27 -6.50 4.77 3.08 0.73 -3.40 114.38 113.74 1iou h ARG 50 Ca 0.04 -0.10 -0.55 0.00 0.07 0.00 0.00 59.98 59.43 1iou h ARG 50 Cb 0.89 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.86 1iou h ARG 50 CO 0.08 0.56 1.04 0.99 -1.07 0.00 0.00 179.97 181.57 1iou s THR 51 N -4.34 3.91 -0.22 2.04 2.01 0.34 -4.88 115.64 114.50 1iou s THR 51 Ca -0.05 0.81 -0.00 0.00 0.31 0.00 0.00 61.69 62.75 1iou s THR 51 Cb 0.14 -4.56 0.17 0.00 0.01 0.00 0.00 72.50 68.26 1iou s THR 51 CO 0.76 -1.22 1.88 0.61 -0.69 0.00 0.00 174.62 175.97 1iou n GLY 52 N 5.15 3.53 1.45 4.40 0.00 -1.26 -4.83 105.19 113.62 1iou n GLY 52 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.52 -1.87 -0.91 4.61 0.00 -1.26 -4.78 120.51 116.82 1iou n ALA 53 Ca 0.22 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1iou n ALA 53 Cb 0.62 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.58 1.02 3.28 0.00 0.00 -1.12 -4.99 105.19 101.80 1iou n GLY 54 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.07 1.55 0.22 1.61 -1.05 -1.26 -5.01 118.70 114.68 1iou s GLU 55 Ca 0.00 -1.87 0.06 0.00 -0.15 0.00 0.00 54.97 53.01 1iou s GLU 55 Cb 0.00 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1iou s GLU 55 CO 0.00 -0.51 -0.09 1.03 0.95 0.00 0.00 175.26 176.64 1iou s ARG 56 N -3.77 1.35 0.04 -4.83 0.52 -1.26 -2.20 118.95 108.78 1iou s ARG 56 Ca 0.38 -1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1iou s ARG 56 Cb 0.04 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1iou s ARG 56 CO 0.20 0.07 -0.03 -0.65 0.02 0.00 0.00 175.30 174.91 1iou s GLN 57 N -3.72 0.47 -0.27 3.54 -1.52 -0.90 -4.95 119.66 112.31 1iou s GLN 57 Ca 0.25 -0.93 -0.03 0.00 -1.95 0.00 0.00 55.36 52.70 1iou s GLN 57 Cb 0.02 0.16 0.10 0.00 -0.22 0.00 0.00 33.01 33.08 1iou s GLN 57 CO 0.07 -0.08 0.18 -1.54 -0.25 0.00 0.00 175.29 173.67 1iou s SER 58 N -2.22 2.73 -0.55 5.90 1.04 -1.26 0.18 113.70 119.52 1iou s SER 58 Ca -0.04 -0.98 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1iou s SER 58 Cb -0.01 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.11 1iou s SER 58 CO -0.06 -0.41 0.84 0.27 0.98 0.00 0.00 173.24 174.86 1iou s ILE 59 N 2.19 4.55 -0.44 -1.02 -4.36 -0.95 -4.82 121.20 116.34 1iou s ILE 59 Ca 0.08 -0.08 -0.17 0.00 -0.26 0.00 0.00 60.65 60.23 1iou s ILE 59 Cb -0.15 -4.48 0.03 0.00 1.25 0.00 0.00 42.46 39.11 1iou s ILE 59 CO -0.30 -1.06 0.43 -1.61 0.24 0.00 0.00 174.94 172.65 1iou s GLU 60 N 3.50 3.06 0.44 0.37 2.02 -1.26 -0.49 118.70 126.35 1iou s GLU 60 Ca 0.24 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.37 1iou s GLU 60 Cb -0.15 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1iou s GLU 60 CO 0.15 -0.92 0.11 -2.00 0.02 0.00 0.00 175.26 172.63 1iou s GLU 61 N 2.05 2.14 -0.58 1.61 2.12 -0.59 -5.00 118.70 120.45 1iou s GLU 61 Ca 0.10 -2.06 -0.06 0.00 0.36 0.00 0.00 54.97 53.32 1iou s GLU 61 Cb -0.19 -1.80 -0.13 0.00 0.26 0.00 0.00 34.13 32.28 1iou s GLU 61 CO 0.12 -0.19 2.54 0.41 -0.54 0.00 0.00 175.26 177.60 1iou n GLY 62 N -1.21 2.95 0.56 -1.50 0.00 -1.26 -3.09 105.19 101.64 1iou n GLY 62 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 3.33 0.00 -2.66 1.61 2.85 -1.26 -5.17 115.26 113.96 1iou n ASN 63 Ca 0.43 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.87 1iou n ASN 63 Cb 0.40 0.14 0.02 0.00 1.24 0.00 0.00 39.78 41.58 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iou n TYR 64 N -1.81 -1.27 -4.16 1.20 0.18 -1.18 -4.82 117.16 105.29 1iou n TYR 64 Ca 0.00 -1.01 -0.22 0.00 1.88 0.00 0.00 57.90 58.55 1iou n TYR 64 Cb 0.00 0.49 -0.05 0.00 -0.38 0.00 0.00 39.34 39.40 1iou n TYR 64 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1iou s ILE 65 N -2.21 4.18 -0.45 -3.48 1.01 0.50 -1.54 121.20 119.21 1iou s ILE 65 Ca 0.16 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.33 1iou s ILE 65 Cb -0.02 -3.25 0.19 0.00 0.01 0.00 0.00 42.46 39.39 1iou s ILE 65 CO 0.05 -0.35 0.41 0.61 0.00 0.00 0.00 174.94 175.66 1iou n GLY 66 N -1.07 2.60 3.51 6.18 0.00 0.35 -0.50 105.19 116.26 1iou n GLY 66 Ca -0.07 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1iou n GLY 66 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iou n HIS 67 N 2.36 -0.55 -3.71 1.61 8.25 0.46 -2.25 115.22 121.40 1iou n HIS 67 Ca 0.27 0.26 -0.14 0.00 -0.26 0.00 0.00 57.72 57.86 1iou n HIS 67 Cb 0.47 -1.85 -0.09 0.00 1.12 0.00 0.00 29.99 29.65 1iou n HIS 67 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iou s VAL 68 N -2.48 0.01 -0.20 1.59 1.01 0.48 -1.25 120.40 119.57 1iou s VAL 68 Ca 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1iou s VAL 68 Cb -0.21 -0.65 0.10 0.00 0.00 0.00 0.00 36.38 35.62 1iou s VAL 68 CO 0.64 -0.06 0.26 -0.31 0.00 0.00 0.00 175.10 175.63 1iou s TYR 69 N -0.21 -0.42 0.21 5.22 1.51 -0.93 -2.11 117.35 120.62 1iou s TYR 69 Ca -0.04 0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1iou s TYR 69 Cb -0.03 -0.23 -0.07 0.00 -0.11 0.00 0.00 41.96 41.52 1iou s TYR 69 CO 0.02 -0.59 0.51 0.00 -1.11 0.00 0.00 175.55 174.38 1iou s ALA 70 N 2.39 3.62 0.96 3.71 0.00 -0.94 -2.25 121.76 129.25 1iou s ALA 70 Ca 0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 1iou s ALA 70 Cb -0.15 -2.36 0.19 0.00 0.00 0.00 0.00 23.12 20.80 1iou s ALA 70 CO -0.12 0.54 1.16 -2.13 0.00 0.00 0.00 175.76 175.21 1iou n ARG 71 N -0.10 -1.02 -0.21 0.00 0.00 -1.26 -4.42 116.66 109.64 1iou n ARG 71 Ca -0.00 -1.94 0.01 0.00 -0.00 0.00 0.00 57.85 55.92 1iou n ARG 71 Cb 0.52 -1.15 0.10 0.00 0.00 0.00 0.00 32.46 31.94 1iou n ARG 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1iou h SER 72 N -1.44 -0.33 0.00 6.15 0.02 -1.98 -2.95 113.55 113.03 1iou h SER 72 Ca -0.38 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1iou h SER 72 Cb 1.08 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1iou h SER 72 CO 0.28 -0.14 0.00 1.21 -1.14 0.00 0.00 176.83 177.04 1iou n GLU 73 N -5.31 0.00 0.00 3.45 0.00 -1.26 -4.31 120.64 113.21 1iou n GLU 73 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1iou n GLU 73 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.81 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iou n GLY 74 N 0.00 -1.80 3.24 8.31 0.00 -1.26 -5.02 105.19 108.66 1iou n GLY 74 Ca 0.00 0.81 -0.35 0.00 0.00 0.00 0.00 46.02 46.49 1iou n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iou s ILE 75 N 0.00 3.12 0.41 -0.61 -0.00 -1.22 -3.86 121.20 119.04 1iou s ILE 75 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 60.65 59.78 1iou s ILE 75 Cb 0.00 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.46 39.89 1iou s ILE 75 CO 0.00 0.23 0.62 0.00 -0.00 0.00 0.00 174.94 175.79 1iou s GLY 77 N -4.13 1.48 0.11 0.00 0.00 -0.96 0.11 107.32 103.93 1iou s GLY 77 Ca 0.45 -1.67 0.08 0.00 0.00 0.00 0.00 44.72 43.58 1iou s GLY 77 CO 0.37 -1.76 -0.21 0.14 0.00 0.00 0.00 173.10 171.65 1iou s VAL 78 N -2.81 1.71 -0.25 1.40 1.01 -0.70 -2.19 120.40 118.57 1iou s VAL 78 Ca 0.23 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1iou s VAL 78 Cb -0.02 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.87 1iou s VAL 78 CO 0.08 -0.08 0.07 -0.22 0.00 0.00 0.00 175.10 174.95 1iou s LEU 79 N -1.95 1.50 -0.25 3.92 0.20 -0.38 -1.39 118.68 120.33 1iou s LEU 79 Ca 0.07 -1.21 -0.09 0.00 0.69 0.00 0.00 54.13 53.59 1iou s LEU 79 Cb -0.10 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 44.95 1iou s LEU 79 CO 0.04 -0.37 0.13 0.27 -0.29 0.00 0.00 176.35 176.14 1iou s ILE 80 N 1.80 4.91 0.15 6.68 -4.36 0.12 0.18 121.20 130.68 1iou s ILE 80 Ca 0.05 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.48 1iou s ILE 80 Cb -0.17 -3.30 -0.00 0.00 1.25 0.00 0.00 42.46 40.23 1iou s ILE 80 CO -0.19 0.32 0.18 1.07 0.24 0.00 0.00 174.94 176.55 1iou n THR 81 N 4.74 0.00 -2.14 8.37 5.66 0.35 -0.74 114.28 130.52 1iou n THR 81 Ca -0.15 -0.94 -0.28 0.00 -3.05 0.00 0.00 64.05 59.63 1iou n THR 81 Cb 0.52 0.52 0.05 0.00 -1.55 0.00 0.00 70.33 69.87 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 -2.01 5.20 0.60 1.09 -1.08 -0.85 0.19 116.67 119.82 1iou s ASP 82 Ca 0.15 0.77 0.32 0.00 -0.52 0.00 0.00 52.55 53.27 1iou s ASP 82 Cb 0.00 -1.56 1.87 0.00 -1.46 0.00 0.00 42.92 41.78 1iou s ASP 82 CO 0.11 -1.39 2.23 0.11 0.52 0.00 0.00 175.17 176.75 1iou h LYS 83 N -0.54 0.00 -1.58 4.34 1.57 -1.87 -1.76 116.57 116.73 1iou h LYS 83 Ca -0.45 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.02 1iou h LYS 83 Cb 1.28 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.46 1iou h LYS 83 CO 0.62 0.00 0.39 1.04 -0.57 0.00 0.00 179.45 180.93 1iou n GLN 84 N -3.69 1.78 -3.43 3.15 3.00 -1.26 -4.52 117.38 112.41 1iou n GLN 84 Ca -0.02 -1.50 -0.27 0.00 -0.01 0.00 0.00 57.00 55.21 1iou n GLN 84 Cb 0.15 -1.60 -0.10 0.00 0.00 0.00 0.00 30.24 28.69 1iou n GLN 84 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1iou n TYR 85 N 0.46 -0.09 -0.99 1.08 4.19 -0.66 -4.85 117.16 116.29 1iou n TYR 85 Ca 0.29 -3.52 -0.32 0.00 3.31 0.00 0.00 57.90 57.66 1iou n TYR 85 Cb 0.57 0.01 0.01 0.00 0.49 0.00 0.00 39.34 40.43 1iou n TYR 85 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1iou n PRO 86 N 2.41 0.00 0.12 2.98 -0.02 -1.26 -4.87 135.00 134.36 1iou n PRO 86 Ca 0.27 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1iou n PRO 86 Cb 0.47 -0.83 0.03 0.00 -0.02 0.00 0.00 33.50 33.15 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 -0.17 1.16 -0.02 -1.45 2.07 -1.98 -3.25 116.25 112.61 1iou h VAL 87 Ca -0.35 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 64.72 1iou h VAL 87 Cb 1.18 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 33.37 1iou h VAL 87 CO 0.32 0.63 -0.26 0.03 0.02 0.00 0.00 177.57 178.30 1iou h ARG 88 N 0.00 -0.38 0.00 1.57 3.08 -1.99 0.59 114.38 117.25 1iou h ARG 88 Ca -0.01 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1iou h ARG 88 Cb 1.42 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1iou h ARG 88 CO 0.08 -0.25 -0.29 -1.35 -1.07 0.00 0.00 179.97 177.09 1iou h PRO 89 N -0.40 0.00 0.00 0.04 0.11 -1.94 -0.62 132.00 129.19 1iou h PRO 89 Ca 0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1iou h PRO 89 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1iou h PRO 89 CO -0.24 0.29 -0.38 0.00 -0.21 0.00 0.00 178.00 177.46 1iou h ALA 90 N 1.71 1.28 -0.28 -0.75 0.00 -1.21 0.31 119.26 120.32 1iou h ALA 90 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1iou h ALA 90 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iou h ALA 90 CO 0.04 0.48 -0.22 -0.92 0.00 0.00 0.00 179.25 178.63 1iou h TYR 91 N 0.00 0.75 -0.35 0.00 5.03 0.17 0.42 116.97 122.99 1iou h TYR 91 Ca -0.00 -0.21 -0.02 0.00 2.58 0.00 0.00 58.73 61.08 1iou h TYR 91 Cb 0.71 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 1iou h TYR 91 CO 0.00 0.92 0.15 1.15 -1.32 0.00 0.00 178.16 179.06 1iou h THR 92 N 0.37 1.18 0.00 1.81 2.02 -0.70 0.16 112.91 117.75 1iou h THR 92 Ca 0.05 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1iou h THR 92 Cb 0.77 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1iou h THR 92 CO 0.06 0.19 -0.00 0.25 0.37 0.00 0.00 175.52 176.39 1iou h LEU 93 N 0.42 -0.00 -1.01 2.58 6.46 -0.30 -1.06 115.31 122.39 1iou h LEU 93 Ca 0.12 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1iou h LEU 93 Cb 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1iou h LEU 93 CO -0.01 0.13 0.00 0.18 -0.62 0.00 0.00 178.44 178.12 1iou n LEU 94 N -5.03 0.57 -0.04 2.25 7.99 0.15 -0.84 117.00 122.05 1iou n LEU 94 Ca -0.07 0.70 -0.14 0.00 -0.01 0.00 0.00 56.01 56.48 1iou n LEU 94 Cb 0.09 -0.70 -0.12 0.00 -0.11 0.00 0.00 43.42 42.59 1iou n LEU 94 CO 0.33 -0.74 0.43 -1.13 -1.51 0.00 0.00 177.39 174.77 1iou h ASN 95 N 0.00 0.10 0.51 -1.43 -1.24 0.60 -2.62 115.58 111.50 1iou h ASN 95 Ca 0.00 -0.81 -0.17 0.00 0.71 0.00 0.00 56.30 56.04 1iou h ASN 95 Cb 0.17 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1iou h ASN 95 CO 0.00 0.89 -0.73 0.11 -1.29 0.00 0.00 177.43 176.42 1iou h LYS 96 N -0.69 0.18 0.55 6.67 1.79 -0.87 -2.09 116.57 122.11 1iou h LYS 96 Ca -0.02 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1iou h LYS 96 Cb 0.91 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1iou h LYS 96 CO 0.02 0.83 -0.26 0.97 -1.08 0.00 0.00 179.45 179.93 1iou h ILE 97 N 0.12 0.33 -0.71 1.86 2.10 -1.08 1.15 117.51 121.28 1iou h ILE 97 Ca -0.02 -0.35 -0.02 0.00 1.08 0.00 0.00 64.86 65.55 1iou h ILE 97 Cb 1.29 0.45 -0.03 0.00 -1.09 0.00 0.00 36.82 37.43 1iou h ILE 97 CO 0.11 0.04 0.37 -0.07 -1.08 0.00 0.00 178.15 177.52 1iou h LEU 98 N -0.99 0.88 -1.06 2.19 4.07 -1.56 0.39 115.31 119.23 1iou h LEU 98 Ca -0.08 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.72 1iou h LEU 98 Cb 0.64 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1iou h LEU 98 CO 0.12 0.72 -0.40 0.44 -1.08 0.00 0.00 178.44 178.25 1iou h ASP 99 N 0.99 0.00 0.25 -0.43 3.32 -1.30 -1.95 116.42 117.30 1iou h ASP 99 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1iou h ASP 99 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1iou h ASP 99 CO -0.04 0.40 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.68 1iou h GLU 100 N 0.00 -0.32 -0.72 3.56 4.57 0.35 -0.96 114.58 121.06 1iou h GLU 100 Ca -0.00 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.41 1iou h GLU 100 Cb 0.84 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.47 1iou h GLU 100 CO 0.05 -0.05 0.52 -0.92 -1.18 0.00 0.00 179.01 177.43 1iou h TYR 101 N -1.01 0.00 -0.00 0.92 3.20 -0.33 0.31 116.97 120.06 1iou h TYR 101 Ca -0.03 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.62 1iou h TYR 101 Cb 0.42 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1iou h TYR 101 CO 0.04 0.00 -0.92 -0.07 -1.64 0.00 0.00 178.16 175.57 1iou h LEU 102 N 0.00 0.46 -0.08 2.82 4.07 -1.31 -3.33 115.31 117.95 1iou h LEU 102 Ca 0.34 -0.37 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1iou h LEU 102 Cb 1.38 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 1iou h LEU 102 CO -0.00 1.16 -0.02 0.58 -1.08 0.00 0.00 178.44 179.08 1iou h VAL 103 N 0.20 1.30 -0.08 1.22 2.07 0.10 -2.88 116.25 118.18 1iou h VAL 103 Ca -0.07 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1iou h VAL 103 Cb 1.55 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1iou h VAL 103 CO 0.15 0.27 0.74 0.00 0.02 0.00 0.00 177.57 178.75 1iou h ALA 104 N 0.67 1.81 -1.31 1.67 0.00 -1.47 -3.38 119.26 117.24 1iou h ALA 104 Ca 0.02 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1iou h ALA 104 Cb 0.43 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.93 1iou h ALA 104 CO 0.01 -0.78 0.53 -3.38 0.00 0.00 0.00 179.25 175.62 1iou s HIS 105 N -4.08 -0.37 0.72 0.00 0.00 -1.09 -5.13 115.29 105.34 1iou s HIS 105 Ca -0.02 0.73 -0.12 0.00 -3.00 0.00 0.00 55.06 52.65 1iou s HIS 105 Cb 0.05 0.22 -0.11 0.00 -4.00 0.00 0.00 32.58 28.74 1iou s HIS 105 CO 0.15 -0.18 -0.58 -2.30 -1.00 0.00 0.00 174.74 170.83 1iou n PRO 106 N 3.50 0.00 -0.21 -0.38 -0.02 -1.23 -4.57 135.00 132.10 1iou n PRO 106 Ca -0.18 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.21 1iou n PRO 106 Cb 0.57 -0.73 -0.07 0.00 -0.02 0.00 0.00 33.50 33.25 1iou n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iou h LYS 107 N -0.71 -0.14 -0.05 -0.52 1.57 -1.97 -1.64 116.57 113.11 1iou h LYS 107 Ca -0.32 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1iou h LYS 107 Cb 0.95 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1iou h LYS 107 CO 0.17 -0.10 -0.31 1.49 -0.57 0.00 0.00 179.45 180.13 1iou h GLU 108 N -0.15 0.08 -1.05 3.15 4.57 -1.96 -0.64 114.58 118.59 1iou h GLU 108 Ca 0.09 -0.03 0.29 0.00 -1.18 0.00 0.00 59.36 58.53 1iou h GLU 108 Cb 0.37 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 1iou h GLU 108 CO -0.57 0.39 0.73 0.93 -1.18 0.00 0.00 179.01 179.32 1iou h GLU 109 N 0.08 0.10 0.00 1.92 4.39 -1.57 -1.23 114.58 118.27 1iou h GLU 109 Ca 0.01 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1iou h GLU 109 Cb 0.59 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1iou h GLU 109 CO 0.04 0.07 -1.76 -2.67 -1.16 0.00 0.00 179.01 173.53 1iou n TRP 110 N -4.32 0.00 0.00 4.33 4.27 -1.13 -4.90 117.44 115.69 1iou n TRP 110 Ca 0.23 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.84 1iou n TRP 110 Cb 1.05 -0.52 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1iou n TRP 110 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iou n ALA 111 N -2.34 0.00 -2.78 -1.67 0.00 -0.26 0.86 120.51 114.32 1iou n ALA 111 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1iou n ALA 111 Cb 0.78 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.27 1iou n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iou n ASP 112 N 0.00 -2.75 -4.62 0.00 8.00 -1.26 -3.37 116.55 112.55 1iou n ASP 112 Ca 0.00 -3.26 -0.43 0.00 0.71 0.00 0.00 54.79 51.81 1iou n ASP 112 Cb 0.00 1.69 -0.03 0.00 -0.02 0.00 0.00 41.12 42.76 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iou n VAL 113 N 1.69 0.49 -0.75 2.53 0.31 0.25 -4.82 118.33 118.03 1iou n VAL 113 Ca 0.10 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1iou n VAL 113 Cb 0.62 -2.42 0.20 0.00 -0.91 0.00 0.00 33.84 31.34 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 6.90 2.65 -2.78 2.52 -2.24 -1.26 -4.36 114.28 115.72 1iou n THR 114 Ca 0.27 -1.45 -0.10 0.00 -2.27 0.00 0.00 64.05 60.50 1iou n THR 114 Cb 0.42 -0.49 0.08 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.44 1.08 -4.55 -0.78 0.28 -1.26 -5.10 120.64 109.87 1iou n GLU 115 Ca 0.41 -2.23 -0.25 0.00 -0.16 0.00 0.00 57.16 54.93 1iou n GLU 115 Cb 1.34 -0.86 -0.11 0.00 1.43 0.00 0.00 31.44 33.24 1iou n GLU 115 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1iou s THR 116 N -0.46 1.79 -0.51 3.84 2.01 -1.26 -5.09 115.64 115.95 1iou s THR 116 Ca 0.25 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.21 1iou s THR 116 Cb 0.35 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 70.02 1iou s THR 116 CO -0.06 -0.06 0.00 -3.20 -0.69 0.00 0.00 174.62 170.61 1iou n ASN 117 N -0.83 0.00 0.18 3.53 2.85 0.61 -4.40 115.26 117.20 1iou n ASN 117 Ca -0.04 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.53 1iou n ASN 117 Cb 0.66 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.25 1iou n ASN 117 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1iou h ASP 118 N 0.00 0.00 -0.29 1.20 1.82 -1.84 -2.81 116.42 114.49 1iou h ASP 118 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 1iou h ASP 118 Cb 0.00 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 39.93 1iou h ASP 118 CO 0.00 0.00 -0.32 0.00 -1.61 0.00 0.00 179.24 177.31 1iou h ALA 119 N 1.75 -0.26 -0.20 -0.78 0.00 -1.93 0.27 119.26 118.11 1iou h ALA 119 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1iou h ALA 119 Cb 0.19 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1iou h ALA 119 CO 0.00 -0.76 0.06 -0.07 0.00 0.00 0.00 179.25 178.49 1iou h LEU 120 N -0.31 0.24 0.00 0.00 4.07 -1.83 -3.45 115.31 114.03 1iou h LEU 120 Ca 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1iou h LEU 120 Cb 0.54 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1iou h LEU 120 CO -0.46 0.24 0.00 1.17 -1.08 0.00 0.00 178.44 178.31 1iou n LYS 121 N -4.44 0.00 -2.00 1.13 4.81 0.93 -4.59 118.16 114.00 1iou n LYS 121 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1iou n LYS 121 Cb 0.13 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.18 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1iou n MET 122 N 0.00 -0.51 -0.52 1.64 0.00 -1.26 -4.50 117.12 111.98 1iou n MET 122 Ca 0.00 0.87 0.43 0.00 -0.00 0.00 0.00 57.70 59.01 1iou n MET 122 Cb 0.00 -2.90 0.76 0.00 0.00 0.00 0.00 33.22 31.08 1iou n MET 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1iou h LYS 123 N 0.26 0.03 0.20 2.12 1.63 -1.98 0.12 116.57 118.94 1iou h LYS 123 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1iou h LYS 123 Cb 0.86 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1iou h LYS 123 CO 0.09 0.02 -0.10 1.96 -3.45 0.00 0.00 179.45 177.98 1iou h GLN 124 N 0.03 -0.26 -0.92 1.90 4.20 -1.97 0.36 115.11 118.45 1iou h GLN 124 Ca 0.78 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.75 1iou h GLN 124 Cb 2.97 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 30.76 1iou h GLN 124 CO -0.08 -0.17 0.64 1.25 -0.67 0.00 0.00 178.83 179.80 1iou h LEU 125 N -0.45 0.15 0.09 1.46 6.46 -1.51 0.35 115.31 121.86 1iou h LEU 125 Ca -0.03 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1iou h LEU 125 Cb 0.20 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1iou h LEU 125 CO 0.04 0.05 -0.04 0.44 -0.62 0.00 0.00 178.44 178.31 1iou h ASP 126 N 0.15 -0.10 -0.22 1.25 3.32 -0.84 -2.60 116.42 117.38 1iou h ASP 126 Ca 0.46 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1iou h ASP 126 Cb 1.57 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1iou h ASP 126 CO -0.08 0.52 0.20 0.74 -1.72 0.00 0.00 179.24 178.90 1iou h THR 127 N -0.98 0.60 0.14 0.35 2.02 0.54 -1.76 112.91 113.82 1iou h THR 127 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1iou h THR 127 Cb 0.41 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1iou h THR 127 CO 0.02 0.00 -0.07 1.88 0.37 0.00 0.00 175.52 177.72 1iou h TYR 128 N 0.00 -0.18 -0.10 3.16 -1.99 -0.40 -2.04 116.97 115.43 1iou h TYR 128 Ca 0.10 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1iou h TYR 128 Cb 0.50 0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 1iou h TYR 128 CO 0.00 0.15 0.12 0.97 -0.00 0.00 0.00 178.16 179.39 1iou h ILE 129 N -0.98 0.43 0.19 -2.88 -0.00 -1.15 1.23 117.51 114.35 1iou h ILE 129 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 64.86 64.55 1iou h ILE 129 Cb 0.41 0.90 0.02 0.00 -0.00 0.00 0.00 36.82 38.15 1iou h ILE 129 CO 0.03 0.00 -1.36 -1.28 -0.00 0.00 0.00 178.15 175.54 1iou h SER 130 N 0.00 0.63 1.38 2.19 0.87 -1.39 -3.29 113.55 113.94 1iou h SER 130 Ca 0.05 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1iou h SER 130 Cb 0.28 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1iou h SER 130 CO -0.00 1.64 -0.37 0.11 -0.53 0.00 0.00 176.83 177.68 1iou h LYS 131 N -0.07 0.00 0.00 2.24 6.56 -0.55 -3.28 116.57 121.47 1iou h LYS 131 Ca -0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1iou h LYS 131 Cb 1.96 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.62 1iou h LYS 131 CO 0.19 0.00 -0.09 0.66 -2.06 0.00 0.00 179.45 178.15 1iou n TYR 132 N -2.57 0.50 -0.44 -1.35 4.02 0.41 -4.13 117.16 113.61 1iou n TYR 132 Ca 0.03 0.15 -0.07 0.00 -0.01 0.00 0.00 57.90 58.00 1iou n TYR 132 Cb 0.49 -0.71 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 1iou n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iou n GLN 133 N -1.92 0.96 -4.31 -0.72 -0.00 -1.24 -4.60 117.38 105.55 1iou n GLN 133 Ca 0.06 -0.56 -0.32 0.00 -0.00 0.00 0.00 57.00 56.18 1iou n GLN 133 Cb 0.39 -1.82 -0.09 0.00 -0.00 0.00 0.00 30.24 28.72 1iou n GLN 133 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1iou n ASP 134 N 3.09 0.45 0.04 2.61 8.00 -1.26 -4.80 116.55 124.67 1iou n ASP 134 Ca 0.21 -1.24 -0.22 0.00 0.71 0.00 0.00 54.79 54.24 1iou n ASP 134 Cb 0.33 -1.55 -0.14 0.00 -0.02 0.00 0.00 41.12 39.73 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iou h PRO 135 N -1.57 0.32 0.00 -0.24 0.13 -1.81 -3.43 132.00 125.40 1iou h PRO 135 Ca -0.63 -0.55 -0.03 0.00 -0.87 0.00 0.00 66.00 63.92 1iou h PRO 135 Cb 1.36 0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.64 1iou h PRO 135 CO 0.73 1.25 -0.32 0.43 -0.23 0.00 0.00 178.00 179.86 1iou n SER 136 N -3.52 -0.02 -2.62 1.44 7.64 -1.26 -4.99 113.62 110.29 1iou n SER 136 Ca -0.28 -1.57 -0.19 0.00 1.01 0.00 0.00 58.87 57.84 1iou n SER 136 Cb 1.06 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1iou n SER 136 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1iou n GLN 137 N 0.05 -2.63 -4.07 1.43 7.27 -1.26 -1.75 117.38 116.42 1iou n GLN 137 Ca -0.03 0.80 -0.29 0.00 0.07 0.00 0.00 57.00 57.55 1iou n GLN 137 Cb 0.66 -5.49 -0.03 0.00 2.41 0.00 0.00 30.24 27.79 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iou n ALA 138 N -2.52 -1.74 -3.21 1.69 0.00 -1.26 -1.88 120.51 111.59 1iou n ALA 138 Ca -0.17 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1iou n ALA 138 Cb 0.64 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.87 -5.78 -0.66 0.00 2.03 -0.72 -5.18 116.55 103.38 1iou n ASP 139 Ca -0.17 -0.67 0.13 0.00 0.52 0.00 0.00 54.79 54.60 1iou n ASP 139 Cb 0.62 -5.02 0.37 0.00 -0.72 0.00 0.00 41.12 36.37 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28