#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou s ARG 2 N 0.00 0.52 0.50 3.17 3.00 -1.24 -4.11 118.95 120.78 1iou s ARG 2 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 55.73 54.49 1iou s ARG 2 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 34.95 33.37 1iou s ARG 2 CO 0.00 -1.07 1.28 -1.50 0.00 0.00 0.00 175.30 174.00 1iou s ILE 3 N 1.55 2.55 0.00 1.52 2.07 -1.25 -2.59 121.20 125.05 1iou s ILE 3 Ca 0.12 0.42 0.00 0.00 -1.41 0.00 0.00 60.65 59.78 1iou s ILE 3 Cb -0.19 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 39.19 1iou s ILE 3 CO -0.21 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.60 1iou n TYR 4 N -0.70 0.00 -3.57 3.50 4.01 -1.01 -4.86 117.16 114.53 1iou n TYR 4 Ca 0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 1iou n TYR 4 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.99 -0.50 0.21 -0.72 6.14 0.62 0.14 117.35 121.25 1iou s TYR 5 Ca 0.00 0.74 -0.11 0.00 0.64 0.00 0.00 57.07 58.34 1iou s TYR 5 Cb 0.00 0.35 -0.01 0.00 0.42 0.00 0.00 41.96 42.72 1iou s TYR 5 CO 0.00 -0.60 0.38 0.42 0.64 0.00 0.00 175.55 176.40 1iou s ILE 6 N -1.76 0.02 -4.76 3.14 1.01 -0.91 0.27 121.20 118.21 1iou s ILE 6 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.14 1iou s ILE 6 Cb -0.01 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1iou s ILE 6 CO 0.04 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1iou n GLY 7 N -0.32 -1.13 3.38 6.18 0.00 -0.44 -0.61 105.19 112.26 1iou n GLY 7 Ca -0.04 -1.18 -0.09 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 -3.00 -0.02 -0.20 1.61 1.01 0.14 -1.24 120.40 118.70 1iou s VAL 8 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1iou s VAL 8 Cb 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.73 1iou s VAL 8 CO 0.00 0.03 0.44 -0.36 0.00 0.00 0.00 175.10 175.21 1iou s PHE 9 N 1.46 -0.75 0.48 5.22 0.08 -0.57 -0.43 117.98 123.48 1iou s PHE 9 Ca -0.10 1.50 -0.22 0.00 0.12 0.00 0.00 56.93 58.23 1iou s PHE 9 Cb -0.07 0.33 -0.07 0.00 -0.57 0.00 0.00 43.02 42.64 1iou s PHE 9 CO -0.15 -0.43 1.13 0.50 -0.10 0.00 0.00 175.22 176.17 1iou s ARG 10 N 2.00 3.66 -0.94 0.44 3.00 -1.25 -3.97 118.95 121.90 1iou s ARG 10 Ca -0.06 1.66 -0.26 0.00 -1.00 0.00 0.00 55.73 56.07 1iou s ARG 10 Cb -0.10 -2.25 -0.14 0.00 0.00 0.00 0.00 34.95 32.45 1iou s ARG 10 CO -0.14 -0.60 2.19 -1.12 0.00 0.00 0.00 175.30 175.64 1iou s SER 11 N -1.58 4.07 0.00 -2.12 0.01 -1.25 -1.53 113.70 111.30 1iou s SER 11 Ca 0.66 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1iou s SER 11 Cb -0.25 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1iou s SER 11 CO 0.30 -3.88 0.00 0.61 0.41 0.00 0.00 173.24 170.68 1iou n GLY 12 N 6.52 -1.13 0.00 3.44 0.00 -1.10 -4.90 105.19 108.02 1iou n GLY 12 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.49 0.66 0.40 -0.02 0.00 -1.26 -4.76 105.19 102.70 1iou n GLY 13 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.43 114.58 115.59 1iou h GLU 14 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1iou h GLU 14 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1iou h GLU 14 CO 0.00 0.00 -0.20 0.36 -0.73 0.00 0.00 179.01 178.44 1iou n LYS 15 N -3.78 0.29 -3.13 1.92 0.00 -1.26 -5.01 118.16 107.19 1iou n LYS 15 Ca 0.09 -1.76 -0.39 0.00 -0.00 0.00 0.00 58.31 56.25 1iou n LYS 15 Cb 0.69 1.52 -0.05 0.00 -0.00 0.00 0.00 35.03 37.19 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 -2.58 3.41 -0.17 0.58 0.00 -0.89 -2.73 121.76 119.39 1iou s ALA 16 Ca 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1iou s ALA 16 Cb 0.01 -2.85 0.08 0.00 0.00 0.00 0.00 23.12 20.36 1iou s ALA 16 CO 0.14 0.04 0.22 -1.17 0.00 0.00 0.00 175.76 175.00 1iou s LEU 17 N 0.24 -0.15 0.00 0.00 1.98 -0.59 -4.81 118.68 115.36 1iou s LEU 17 Ca 0.34 0.02 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 1iou s LEU 17 Cb -0.18 0.44 0.00 0.00 0.66 0.00 0.00 46.19 47.11 1iou s LEU 17 CO 0.18 -0.30 0.00 -0.62 -1.89 0.00 0.00 176.35 173.72 1iou n GLU 18 N 5.33 -2.22 0.00 1.98 1.02 -1.22 -4.07 120.64 121.46 1iou n GLU 18 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1iou n GLU 18 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iou n LEU 19 N 0.00 0.00 -4.43 -4.62 7.99 -1.25 -4.15 117.00 110.54 1iou n LEU 19 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 1iou n LEU 19 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1iou n LEU 19 CO 0.00 0.00 -0.22 -0.94 -1.51 0.00 0.00 177.39 174.72 1iou s SER 20 N -3.29 2.19 -0.14 -1.43 1.04 0.43 0.13 113.70 112.64 1iou s SER 20 Ca 0.00 -1.55 -0.06 0.00 0.48 0.00 0.00 55.95 54.82 1iou s SER 20 Cb 0.00 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.50 1iou s SER 20 CO 0.00 -0.83 0.29 -1.61 0.98 0.00 0.00 173.24 172.07 1iou s GLU 21 N -3.81 0.20 0.16 4.02 2.02 -1.26 0.26 118.70 120.29 1iou s GLU 21 Ca 0.31 0.74 0.11 0.00 0.02 0.00 0.00 54.97 56.15 1iou s GLU 21 Cb 0.05 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 1iou s GLU 21 CO 0.16 -0.24 -0.25 0.54 0.02 0.00 0.00 175.26 175.48 1iou s VAL 22 N 2.08 2.28 0.13 2.63 0.11 0.22 -4.74 120.40 123.10 1iou s VAL 22 Ca -0.03 -1.88 0.03 0.00 -2.93 0.00 0.00 61.98 57.17 1iou s VAL 22 Cb -0.11 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 1iou s VAL 22 CO -0.09 -0.02 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.05 1iou s LYS 23 N -2.35 0.95 -0.22 1.54 3.01 -1.26 -2.15 119.74 119.25 1iou s LYS 23 Ca 0.17 -1.40 -0.03 0.00 -1.01 0.00 0.00 55.97 53.70 1iou s LYS 23 Cb -0.09 -0.37 0.07 0.00 -1.01 0.00 0.00 37.83 36.43 1iou s LYS 23 CO 0.08 0.00 0.06 0.34 0.51 0.00 0.00 175.35 176.35 1iou s ASP 24 N -3.11 3.12 -0.61 2.83 2.15 0.38 -4.90 116.67 116.53 1iou s ASP 24 Ca 0.15 -1.00 0.05 0.00 0.43 0.00 0.00 52.55 52.18 1iou s ASP 24 Cb 0.04 -0.57 0.17 0.00 -0.30 0.00 0.00 42.92 42.26 1iou s ASP 24 CO -0.02 -0.35 0.45 0.18 -0.17 0.00 0.00 175.17 175.26 1iou n LEU 25 N 5.07 1.90 -0.08 -1.34 4.77 -1.26 -4.56 117.00 121.49 1iou n LEU 25 Ca -0.07 -4.95 -0.14 0.00 -0.03 0.00 0.00 56.01 50.82 1iou n LEU 25 Cb 0.46 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1iou n LEU 25 CO 0.11 1.79 -1.05 -1.20 -1.33 0.00 0.00 177.39 175.71 1iou n SER 26 N 2.23 2.11 0.23 -1.43 7.64 -1.26 -4.58 113.62 118.56 1iou n SER 26 Ca 0.23 0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.26 1iou n SER 26 Cb 0.39 -0.36 0.47 0.00 -1.01 0.00 0.00 64.21 63.71 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1iou h GLN 27 N -0.26 0.00 -5.98 1.43 1.08 -1.99 -3.43 115.11 105.97 1iou h GLN 27 Ca -0.39 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.24 1iou h GLN 27 Cb 1.48 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.85 1iou h GLN 27 CO -0.14 0.18 0.20 -0.06 -0.95 0.00 0.00 178.83 178.06 1iou s PHE 28 N -3.61 3.51 0.00 2.96 0.08 -1.26 -5.06 117.98 114.60 1iou s PHE 28 Ca 0.01 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1iou s PHE 28 Cb 0.10 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1iou s PHE 28 CO 0.62 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 1iou n GLY 29 N 3.29 -2.94 1.92 4.36 0.00 -1.26 -4.44 105.19 106.12 1iou n GLY 29 Ca 0.01 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 1iou n GLY 29 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iou n PHE 30 N -1.90 2.27 0.00 1.61 1.16 -1.26 -2.82 117.46 116.52 1iou n PHE 30 Ca 0.00 -1.56 0.00 0.00 -1.87 0.00 0.00 57.45 54.02 1iou n PHE 30 Cb 0.00 -0.79 0.00 0.00 -1.61 0.00 0.00 39.48 37.08 1iou n PHE 30 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 1iou n PHE 31 N -0.68 0.00 0.09 2.97 -1.74 -1.26 -4.86 117.46 111.98 1iou n PHE 31 Ca 0.44 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 57.37 1iou n PHE 31 Cb 1.32 0.35 -0.02 0.00 1.52 0.00 0.00 39.48 42.65 1iou n PHE 31 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 1iou h GLU 32 N 0.00 0.00 -0.90 3.97 4.11 -1.91 -3.35 114.58 116.50 1iou h GLU 32 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.63 1iou h GLU 32 Cb 0.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 1iou h GLU 32 CO 0.00 0.30 0.44 -0.09 0.07 0.00 0.00 179.01 179.72 1iou h ARG 33 N 0.00 0.48 -0.11 1.06 1.12 -1.74 0.28 114.38 115.47 1iou h ARG 33 Ca -0.07 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1iou h ARG 33 Cb 1.39 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 1iou h ARG 33 CO 0.04 0.32 0.07 1.03 -3.11 0.00 0.00 179.97 178.31 1iou h SER 34 N 0.49 0.13 -0.51 -3.80 0.87 -1.84 0.25 113.55 109.15 1iou h SER 34 Ca 0.54 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 1iou h SER 34 Cb 0.97 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1iou h SER 34 CO -0.47 0.14 0.26 0.28 -0.53 0.00 0.00 176.83 176.51 1iou h SER 35 N 0.11 0.64 -0.19 6.23 0.02 -1.17 -2.46 113.55 116.74 1iou h SER 35 Ca 0.04 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1iou h SER 35 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1iou h SER 35 CO -0.01 0.57 0.07 0.58 -1.14 0.00 0.00 176.83 176.90 1iou h VAL 36 N 0.67 1.17 -0.64 2.27 2.07 -0.32 -1.67 116.25 119.81 1iou h VAL 36 Ca 0.18 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.32 1iou h VAL 36 Cb 0.08 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.90 1iou h VAL 36 CO -0.03 0.16 0.03 1.23 0.02 0.00 0.00 177.57 178.99 1iou h GLY 37 N 0.14 0.72 1.64 2.17 0.00 -0.32 1.01 103.07 108.43 1iou h GLY 37 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1iou h GLY 37 CO -0.00 -0.20 0.12 -1.61 0.00 0.00 0.00 176.54 174.84 1iou h GLN 38 N 0.14 0.47 -0.43 4.80 5.75 -1.24 -1.37 115.11 123.23 1iou h GLN 38 Ca 0.34 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1iou h GLN 38 Cb 0.56 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1iou h GLN 38 CO -0.53 0.40 0.09 0.35 -2.65 0.00 0.00 178.83 176.49 1iou h PHE 39 N 0.47 0.75 0.87 3.99 3.04 0.17 0.08 116.94 126.31 1iou h PHE 39 Ca 0.12 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1iou h PHE 39 Cb 0.12 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.43 1iou h PHE 39 CO 0.00 0.70 -0.42 0.52 -2.02 0.00 0.00 178.31 177.10 1iou h MET 40 N 0.57 -1.13 0.72 1.11 2.86 0.79 -2.20 114.93 117.65 1iou h MET 40 Ca 0.13 0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1iou h MET 40 Cb 0.35 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1iou h MET 40 CO 0.00 -0.75 -0.50 1.15 1.06 0.00 0.00 176.91 177.88 1iou h THR 41 N -1.21 0.02 -0.98 2.22 2.02 -1.30 0.17 112.91 113.84 1iou h THR 41 Ca -0.12 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.39 1iou h THR 41 Cb 0.90 0.02 -0.17 0.00 -1.74 0.00 0.00 68.15 67.16 1iou h THR 41 CO 0.20 0.00 0.32 0.15 0.37 0.00 0.00 175.52 176.56 1iou h PHE 42 N -1.15 0.47 -0.26 3.16 3.57 -1.04 1.33 116.94 123.02 1iou h PHE 42 Ca -0.09 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.27 1iou h PHE 42 Cb 0.94 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1iou h PHE 42 CO -0.15 -0.39 -0.58 0.35 -2.23 0.00 0.00 178.31 175.32 1iou h PHE 43 N 0.07 1.07 -0.52 0.41 3.04 -0.96 -1.93 116.94 118.13 1iou h PHE 43 Ca 0.71 -0.40 -0.04 0.00 3.98 0.00 0.00 57.97 62.22 1iou h PHE 43 Cb 1.67 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 1iou h PHE 43 CO -0.22 1.23 0.18 0.00 -2.02 0.00 0.00 178.31 177.49 1iou h ALA 44 N 0.65 0.68 -0.31 2.41 0.00 0.44 -0.30 119.26 122.82 1iou h ALA 44 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1iou h ALA 44 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1iou h ALA 44 CO 0.13 0.31 -0.16 1.05 0.00 0.00 0.00 179.25 180.58 1iou h GLU 45 N 0.70 0.55 0.34 0.00 4.11 0.34 -2.68 114.58 117.94 1iou h GLU 45 Ca 0.17 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1iou h GLU 45 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1iou h GLU 45 CO -0.01 0.69 -0.16 1.15 0.07 0.00 0.00 179.01 180.74 1iou h THR 46 N 0.50 0.67 -0.19 -1.06 2.02 -0.88 -1.12 112.91 112.85 1iou h THR 46 Ca 0.09 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1iou h THR 46 Cb 0.56 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1iou h THR 46 CO 0.04 0.08 -0.46 -0.37 0.37 0.00 0.00 175.52 175.17 1iou h VAL 47 N -0.68 0.00 -0.52 3.16 -1.51 -0.94 1.88 116.25 117.64 1iou h VAL 47 Ca -0.05 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.57 1iou h VAL 47 Cb 0.48 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.62 1iou h VAL 47 CO 0.08 0.00 0.38 0.00 -1.23 0.00 0.00 177.57 176.79 1iou h ALA 48 N -0.41 2.47 0.01 5.19 0.00 -1.53 1.81 119.26 126.80 1iou h ALA 48 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1iou h ALA 48 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.41 -0.64 -0.88 1.03 0.00 0.00 0.00 179.25 178.35 1iou h SER 49 N 0.00 0.23 0.66 0.00 0.87 0.12 -3.27 113.55 112.17 1iou h SER 49 Ca 0.24 -0.19 -0.26 0.00 -1.23 0.00 0.00 61.79 60.36 1iou h SER 49 Cb 1.00 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1iou h SER 49 CO -0.00 1.00 -1.47 0.08 -0.53 0.00 0.00 176.83 175.90 1iou h ARG 50 N 0.10 0.00 -6.47 2.24 0.11 0.69 -3.44 114.38 107.60 1iou h ARG 50 Ca -0.04 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.48 1iou h ARG 50 Cb 1.51 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.54 1iou h ARG 50 CO 0.13 0.62 1.08 0.99 0.10 0.00 0.00 179.97 182.89 1iou s THR 51 N -2.66 3.86 0.00 0.08 2.01 0.57 -4.88 115.64 114.63 1iou s THR 51 Ca -0.03 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1iou s THR 51 Cb 0.09 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1iou s THR 51 CO 0.82 -1.02 1.83 0.61 -0.69 0.00 0.00 174.62 176.17 1iou n GLY 52 N 5.17 2.36 1.40 4.40 0.00 -1.26 -4.83 105.19 112.43 1iou n GLY 52 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 1.45 -3.00 -1.10 4.61 0.00 -1.26 -4.79 120.51 116.42 1iou n ALA 53 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 53.44 54.12 1iou n ALA 53 Cb 0.48 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.72 0.60 3.48 0.00 0.00 -1.22 -4.97 105.19 99.37 1iou n GLY 54 Ca -0.06 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.57 1.34 0.05 1.61 -1.05 -1.26 -5.04 118.70 112.78 1iou s GLU 55 Ca 0.00 -0.63 0.04 0.00 -0.15 0.00 0.00 54.97 54.22 1iou s GLU 55 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 1iou s GLU 55 CO 0.00 -0.58 -0.02 -0.98 0.95 0.00 0.00 175.26 174.62 1iou s ARG 56 N -3.80 2.56 -0.12 -4.83 1.70 -1.26 -3.03 118.95 110.18 1iou s ARG 56 Ca 0.04 -0.78 -0.01 0.00 -0.47 0.00 0.00 55.73 54.51 1iou s ARG 56 Cb -0.01 -2.54 0.03 0.00 -0.57 0.00 0.00 34.95 31.86 1iou s ARG 56 CO -0.09 0.57 -0.05 -0.65 -1.08 0.00 0.00 175.30 174.01 1iou s GLN 57 N -1.94 1.25 -0.44 3.89 -1.52 -0.31 -4.88 119.66 115.72 1iou s GLN 57 Ca 0.22 -0.23 -0.08 0.00 -1.95 0.00 0.00 55.36 53.33 1iou s GLN 57 Cb -0.11 -1.55 0.10 0.00 -0.22 0.00 0.00 33.01 31.23 1iou s GLN 57 CO 0.14 -0.32 0.28 -1.54 -0.25 0.00 0.00 175.29 173.59 1iou s SER 58 N 1.76 5.56 -0.54 5.90 1.04 -1.26 0.20 113.70 126.37 1iou s SER 58 Ca 0.04 -1.79 -0.25 0.00 0.48 0.00 0.00 55.95 54.43 1iou s SER 58 Cb -0.13 -1.96 0.04 0.00 0.10 0.00 0.00 66.02 64.07 1iou s SER 58 CO -0.07 -0.60 0.95 0.27 0.98 0.00 0.00 173.24 174.77 1iou s ILE 59 N 1.33 4.38 -0.44 -1.02 -4.36 -0.71 -4.78 121.20 115.60 1iou s ILE 59 Ca 0.05 0.40 -0.17 0.00 -0.26 0.00 0.00 60.65 60.68 1iou s ILE 59 Cb -0.24 -4.53 0.03 0.00 1.25 0.00 0.00 42.46 38.97 1iou s ILE 59 CO -0.01 -1.08 0.43 -0.70 0.24 0.00 0.00 174.94 173.83 1iou s GLU 60 N 3.98 3.06 0.45 0.37 -6.30 -1.26 0.11 118.70 119.10 1iou s GLU 60 Ca 0.32 -0.91 0.06 0.00 -2.50 0.00 0.00 54.97 51.95 1iou s GLU 60 Cb -0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 34.13 29.97 1iou s GLU 60 CO 0.21 -0.90 0.17 -1.21 0.02 0.00 0.00 175.26 173.54 1iou s GLU 61 N 2.04 2.19 -0.57 4.30 0.41 -0.42 -5.00 118.70 121.66 1iou s GLU 61 Ca 0.10 -1.99 -0.06 0.00 -0.41 0.00 0.00 54.97 52.62 1iou s GLU 61 Cb -0.19 -1.89 -0.12 0.00 -1.78 0.00 0.00 34.13 30.15 1iou s GLU 61 CO 0.12 -0.22 2.49 0.41 -0.49 0.00 0.00 175.26 177.57 1iou n GLY 62 N -1.29 2.91 0.36 -1.39 0.00 -1.26 -3.02 105.19 101.50 1iou n GLY 62 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 3.36 0.00 -2.81 1.61 5.15 -1.26 -5.17 115.26 116.14 1iou n ASN 63 Ca 0.42 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.37 1iou n ASN 63 Cb 0.39 0.09 0.02 0.00 -0.53 0.00 0.00 39.78 39.75 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iou n TYR 64 N -1.54 -1.34 -4.16 1.20 0.18 -1.17 -4.67 117.16 105.66 1iou n TYR 64 Ca 0.00 -1.10 -0.24 0.00 1.88 0.00 0.00 57.90 58.44 1iou n TYR 64 Cb 0.00 0.54 -0.06 0.00 -0.38 0.00 0.00 39.34 39.44 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 -2.17 4.11 -0.47 -3.48 1.01 0.41 -1.30 121.20 119.32 1iou s ILE 65 Ca 0.18 -1.40 0.06 0.00 0.00 0.00 0.00 60.65 59.48 1iou s ILE 65 Cb -0.03 -3.14 0.21 0.00 0.01 0.00 0.00 42.46 39.51 1iou s ILE 65 CO 0.05 -0.23 0.46 0.61 0.00 0.00 0.00 174.94 175.84 1iou n GLY 66 N -0.63 2.90 3.69 6.18 0.00 0.12 -0.25 105.19 117.19 1iou n GLY 66 Ca -0.08 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 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 2.03 1.58 -3.89 1.61 8.25 0.90 -1.74 115.22 123.96 1iou n HIS 67 Ca 0.26 0.43 -0.11 0.00 -0.26 0.00 0.00 57.72 58.04 1iou n HIS 67 Cb 0.47 -2.24 -0.13 0.00 1.12 0.00 0.00 29.99 29.21 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 -1.40 0.03 -0.22 1.59 1.01 0.52 0.63 120.40 122.56 1iou s VAL 68 Ca 0.77 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1iou s VAL 68 Cb -0.41 -0.12 0.11 0.00 0.00 0.00 0.00 36.38 35.96 1iou s VAL 68 CO 0.45 -0.13 0.30 -0.31 0.00 0.00 0.00 175.10 175.41 1iou s TYR 69 N -0.39 -0.54 0.11 5.22 2.02 -0.93 -1.16 117.35 121.68 1iou s TYR 69 Ca -0.04 0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 57.18 1iou s TYR 69 Cb -0.03 -0.16 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1iou s TYR 69 CO -0.00 -0.64 0.33 0.00 -1.57 0.00 0.00 175.55 173.67 1iou s ALA 70 N 2.43 3.84 1.28 3.71 0.00 -1.17 -2.02 121.76 129.84 1iou s ALA 70 Ca 0.09 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1iou s ALA 70 Cb -0.15 -2.06 0.28 0.00 0.00 0.00 0.00 23.12 21.19 1iou s ALA 70 CO -0.14 0.70 0.90 -2.13 0.00 0.00 0.00 175.76 175.09 1iou n ARG 71 N 0.27 -3.33 -0.29 0.00 3.00 -1.19 -4.37 116.66 110.74 1iou n ARG 71 Ca -0.04 -1.45 0.03 0.00 -0.00 0.00 0.00 57.85 56.39 1iou n ARG 71 Cb 0.52 -1.49 0.11 0.00 0.00 0.00 0.00 32.46 31.60 1iou n ARG 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1iou h SER 72 N -2.76 -0.74 0.00 6.15 0.87 -1.99 -3.22 113.55 111.86 1iou h SER 72 Ca -0.35 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1iou h SER 72 Cb 1.11 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1iou h SER 72 CO 0.23 -0.27 0.00 1.21 -0.53 0.00 0.00 176.83 177.47 1iou n GLU 73 N -5.53 0.00 0.00 2.24 2.13 -1.26 -4.15 120.64 114.07 1iou n GLU 73 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1iou n GLU 73 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iou n GLY 74 N 0.00 0.53 3.46 8.31 0.00 -1.26 -5.04 105.19 111.19 1iou n GLY 74 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 3.97 0.26 -0.61 -1.16 -1.14 -3.94 121.20 118.58 1iou s ILE 75 Ca 0.00 -0.31 0.10 0.00 -0.51 0.00 0.00 60.65 59.93 1iou s ILE 75 Cb 0.00 -2.79 -0.04 0.00 0.61 0.00 0.00 42.46 40.24 1iou s ILE 75 CO 0.00 0.44 -0.03 0.00 -2.81 0.00 0.00 174.94 172.54 1iou s GLY 77 N -3.57 1.74 0.11 0.00 0.00 -0.86 -1.52 107.32 103.23 1iou s GLY 77 Ca 0.31 -1.35 0.10 0.00 0.00 0.00 0.00 44.72 43.78 1iou s GLY 77 CO 0.19 -1.34 -0.26 0.14 0.00 0.00 0.00 173.10 171.83 1iou s VAL 78 N -1.34 2.16 -0.07 1.40 1.01 -0.37 -2.20 120.40 120.98 1iou s VAL 78 Ca 0.21 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1iou s VAL 78 Cb -0.10 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.40 1iou s VAL 78 CO 0.13 0.12 -0.01 -0.22 0.00 0.00 0.00 175.10 175.12 1iou s LEU 79 N -1.89 0.70 -0.17 3.92 0.20 0.20 -1.33 118.68 120.32 1iou s LEU 79 Ca 0.13 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.85 1iou s LEU 79 Cb -0.10 -0.46 0.03 0.00 -0.43 0.00 0.00 46.19 45.23 1iou s LEU 79 CO 0.05 -0.18 -0.13 0.27 -0.29 0.00 0.00 176.35 176.08 1iou s ILE 80 N 1.85 1.65 0.13 6.68 -0.00 0.14 0.31 121.20 131.96 1iou s ILE 80 Ca 0.03 -0.83 0.03 0.00 -0.00 0.00 0.00 60.65 59.88 1iou s ILE 80 Cb -0.12 -1.62 -0.01 0.00 -0.00 0.00 0.00 42.46 40.70 1iou s ILE 80 CO -0.05 0.34 0.10 1.07 -0.00 0.00 0.00 174.94 176.40 1iou n THR 81 N 4.72 0.00 -1.62 8.37 5.66 0.66 -0.28 114.28 131.79 1iou n THR 81 Ca -0.16 -0.94 -0.30 0.00 -3.05 0.00 0.00 64.05 59.60 1iou n THR 81 Cb 0.48 0.45 0.07 0.00 -1.55 0.00 0.00 70.33 69.79 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 -1.91 4.89 0.51 1.09 2.15 -1.07 0.16 116.67 122.49 1iou s ASP 82 Ca 0.14 1.36 0.17 0.00 0.43 0.00 0.00 52.55 54.65 1iou s ASP 82 Cb 0.01 -2.14 1.25 0.00 -0.30 0.00 0.00 42.92 41.73 1iou s ASP 82 CO 0.10 -1.72 2.11 0.07 -0.17 0.00 0.00 175.17 175.57 1iou h LYS 83 N -0.92 0.00 -1.49 4.34 2.10 -1.85 -1.96 116.57 116.79 1iou h LYS 83 Ca -0.46 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.88 1iou h LYS 83 Cb 1.25 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.44 1iou h LYS 83 CO 0.59 0.05 0.41 1.04 -2.00 0.00 0.00 179.45 179.54 1iou n GLN 84 N -4.39 1.78 -3.55 0.07 6.02 -1.26 -4.53 117.38 111.52 1iou n GLN 84 Ca -0.03 -1.54 -0.27 0.00 -0.01 0.00 0.00 57.00 55.15 1iou n GLN 84 Cb 0.14 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.69 1iou n GLN 84 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1iou n TYR 85 N 0.32 0.58 -0.73 1.08 4.19 -0.74 0.07 117.16 121.93 1iou n TYR 85 Ca 0.30 -3.67 -0.23 0.00 3.31 0.00 0.00 57.90 57.61 1iou n TYR 85 Cb 0.61 -0.08 0.01 0.00 0.49 0.00 0.00 39.34 40.37 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 0.10 2.98 -0.02 -1.26 -4.83 135.00 134.39 1iou n PRO 86 Ca 0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1iou n PRO 86 Cb 0.44 -0.60 -0.01 0.00 -0.02 0.00 0.00 33.50 33.31 1iou n PRO 86 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1iou h VAL 87 N -0.04 1.37 -0.17 -1.45 3.04 -1.97 -3.21 116.25 113.82 1iou h VAL 87 Ca -0.25 -2.79 0.05 0.00 -1.01 0.00 0.00 66.70 62.70 1iou h VAL 87 Cb 0.86 2.58 -0.06 0.00 -2.01 0.00 0.00 31.29 32.66 1iou h VAL 87 CO 0.24 0.75 -0.23 0.03 -1.01 0.00 0.00 177.57 177.36 1iou h ARG 88 N 0.00 -0.26 0.00 4.17 3.08 -1.99 0.99 114.38 120.37 1iou h ARG 88 Ca -0.01 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1iou h ARG 88 Cb 1.52 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 1iou h ARG 88 CO 0.10 -0.17 -0.50 -1.35 -1.07 0.00 0.00 179.97 176.98 1iou h PRO 89 N -0.27 0.00 -0.05 0.04 0.11 -1.93 -1.75 132.00 128.16 1iou h PRO 89 Ca 0.11 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1iou h PRO 89 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1iou h PRO 89 CO -0.32 0.50 -0.33 0.00 -0.21 0.00 0.00 178.00 177.63 1iou h ALA 90 N 1.50 1.36 -0.23 -0.75 0.00 -1.20 0.39 119.26 120.35 1iou h ALA 90 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1iou h ALA 90 Cb 0.90 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1iou h ALA 90 CO 0.06 0.46 -0.23 -0.92 0.00 0.00 0.00 179.25 178.62 1iou h TYR 91 N 0.08 0.67 -0.77 0.00 3.20 0.17 0.26 116.97 120.58 1iou h TYR 91 Ca 0.01 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1iou h TYR 91 Cb 0.63 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1iou h TYR 91 CO 0.00 0.90 0.40 1.15 -1.64 0.00 0.00 178.16 178.97 1iou h THR 92 N 0.25 1.24 0.27 1.81 2.02 -0.66 0.41 112.91 118.25 1iou h THR 92 Ca 0.03 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1iou h THR 92 Cb 0.79 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1iou h THR 92 CO 0.06 0.27 -0.13 0.25 0.37 0.00 0.00 175.52 176.34 1iou h LEU 93 N 1.08 -0.30 0.00 2.58 7.12 -0.07 -1.03 115.31 124.69 1iou h LEU 93 Ca 0.27 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1iou h LEU 93 Cb 0.08 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1iou h LEU 93 CO -0.04 -0.10 0.00 -0.11 -0.13 0.00 0.00 178.44 178.06 1iou n LEU 94 N -5.19 0.00 -0.03 2.25 -0.00 0.91 -2.18 117.00 112.76 1iou n LEU 94 Ca -0.10 0.43 -0.11 0.00 -0.00 0.00 0.00 56.01 56.23 1iou n LEU 94 Cb 0.21 -0.43 -0.10 0.00 -0.00 0.00 0.00 43.42 43.10 1iou n LEU 94 CO 0.34 -0.27 0.36 -1.13 -0.00 0.00 0.00 177.39 176.70 1iou h ASN 95 N 0.00 -0.04 -0.11 1.96 -1.24 0.11 -2.60 115.58 113.66 1iou h ASN 95 Ca 0.00 -0.65 -0.11 0.00 0.71 0.00 0.00 56.30 56.25 1iou h ASN 95 Cb 0.16 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1iou h ASN 95 CO 0.00 0.73 -0.28 0.11 -1.29 0.00 0.00 177.43 176.70 1iou h LYS 96 N -0.91 0.58 0.30 6.67 1.79 -1.15 -1.97 116.57 121.87 1iou h LYS 96 Ca -0.00 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1iou h LYS 96 Cb 0.69 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1iou h LYS 96 CO 0.01 0.80 -0.14 0.97 -1.08 0.00 0.00 179.45 180.00 1iou h ILE 97 N 0.50 0.73 -0.88 1.86 2.10 -1.55 1.36 117.51 121.64 1iou h ILE 97 Ca 0.07 -0.43 0.02 0.00 1.08 0.00 0.00 64.86 65.60 1iou h ILE 97 Cb 0.74 0.97 -0.05 0.00 -1.09 0.00 0.00 36.82 37.39 1iou h ILE 97 CO 0.06 0.09 0.57 0.25 -1.08 0.00 0.00 178.15 178.04 1iou h LEU 98 N -0.63 0.97 -0.94 2.19 5.85 -1.48 0.38 115.31 121.65 1iou h LEU 98 Ca -0.04 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1iou h LEU 98 Cb 0.45 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1iou h LEU 98 CO 0.07 0.68 -0.43 0.44 -0.34 0.00 0.00 178.44 178.86 1iou h ASP 99 N 1.13 0.00 -0.01 1.25 5.19 -1.25 -1.71 116.42 121.02 1iou h ASP 99 Ca 0.34 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1iou h ASP 99 Cb -0.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.46 1iou h ASP 99 CO -0.10 0.43 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.36 1iou h GLU 100 N 0.00 0.03 0.00 3.56 4.57 0.42 0.24 114.58 123.40 1iou h GLU 100 Ca -0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1iou h GLU 100 Cb 0.91 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1iou h GLU 100 CO 0.06 0.49 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.31 1iou h TYR 101 N -0.42 0.00 -0.10 0.92 3.20 -0.28 -1.57 116.97 118.73 1iou h TYR 101 Ca 0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1iou h TYR 101 Cb 0.48 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.76 1iou h TYR 101 CO 0.09 0.14 -0.82 -0.07 -1.64 0.00 0.00 178.16 175.86 1iou h LEU 102 N 0.00 0.78 -0.02 2.82 4.07 -1.03 -3.34 115.31 118.59 1iou h LEU 102 Ca -0.00 -0.54 -0.01 0.00 0.08 0.00 0.00 57.88 57.40 1iou h LEU 102 Cb 0.27 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1iou h LEU 102 CO 0.02 1.33 -0.05 0.58 -1.08 0.00 0.00 178.44 179.24 1iou h VAL 103 N 0.42 1.46 0.00 1.22 2.07 0.12 -3.12 116.25 118.42 1iou h VAL 103 Ca -0.06 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1iou h VAL 103 Cb 1.44 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1iou h VAL 103 CO 0.16 0.38 0.75 0.00 0.02 0.00 0.00 177.57 178.87 1iou h ALA 104 N 0.43 1.75 -1.24 1.67 0.00 -1.43 -3.39 119.26 117.05 1iou h ALA 104 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1iou h ALA 104 Cb 0.64 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.12 1iou h ALA 104 CO 0.01 -0.75 0.70 -3.38 0.00 0.00 0.00 179.25 175.83 1iou s HIS 105 N -4.02 -0.21 0.96 0.00 0.00 -1.18 -5.13 115.29 105.70 1iou s HIS 105 Ca -0.01 0.48 -0.26 0.00 -3.00 0.00 0.00 55.06 52.26 1iou s HIS 105 Cb 0.03 0.33 -0.19 0.00 -4.00 0.00 0.00 32.58 28.76 1iou s HIS 105 CO 0.10 -0.10 -1.47 -2.30 -1.00 0.00 0.00 174.74 169.97 1iou n PRO 106 N 2.37 0.00 0.23 -0.38 -0.01 -1.24 -4.53 135.00 131.44 1iou n PRO 106 Ca -0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 63.50 63.22 1iou n PRO 106 Cb 0.57 -0.96 -0.07 0.00 -0.01 0.00 0.00 33.50 33.02 1iou n PRO 106 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 1iou h LYS 107 N -0.96 -0.74 0.00 -0.52 3.11 -1.96 -2.99 116.57 112.51 1iou h LYS 107 Ca -0.38 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.49 1iou h LYS 107 Cb 1.34 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.74 1iou h LYS 107 CO 0.20 -0.49 -0.11 1.05 -2.81 0.00 0.00 179.45 177.29 1iou h GLU 108 N -0.77 0.00 -1.14 1.90 4.11 -1.98 -1.50 114.58 115.21 1iou h GLU 108 Ca -0.05 0.00 0.32 0.00 0.07 0.00 0.00 59.36 59.70 1iou h GLU 108 Cb 0.66 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1iou h GLU 108 CO -0.03 0.11 0.78 1.49 0.07 0.00 0.00 179.01 181.43 1iou h GLU 109 N 0.00 0.17 0.00 1.06 4.81 -1.83 -3.19 114.58 115.60 1iou h GLU 109 Ca -0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1iou h GLU 109 Cb 0.25 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1iou h GLU 109 CO 0.01 0.11 -1.34 -2.67 -0.73 0.00 0.00 179.01 174.40 1iou n TRP 110 N -4.41 0.00 0.00 0.92 4.27 -1.11 -4.91 117.44 112.20 1iou n TRP 110 Ca 0.27 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1iou n TRP 110 Cb 1.11 -0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.77 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 -3.43 0.00 -2.89 -1.67 0.00 -0.58 0.04 120.51 111.98 1iou n ALA 111 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1iou n ALA 111 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.49 -0.48 0.00 8.00 -1.26 -2.87 116.55 118.45 1iou n ASP 112 Ca 0.00 -3.35 0.38 0.00 0.71 0.00 0.00 54.79 52.53 1iou n ASP 112 Cb 0.00 1.06 0.60 0.00 -0.02 0.00 0.00 41.12 42.75 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 0.76 -0.09 -2.08 2.53 0.31 0.11 -4.69 118.33 115.17 1iou n VAL 113 Ca 0.13 1.29 -0.01 0.00 -0.01 0.00 0.00 64.34 65.74 1iou n VAL 113 Cb 0.66 -2.14 -0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 -3.87 -0.03 -2.59 2.52 -2.24 -1.26 -4.51 114.28 102.30 1iou n THR 114 Ca 0.34 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.10 1iou n THR 114 Cb 1.44 -0.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.61 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 -2.11 0.53 -4.51 -0.78 0.28 -1.26 -4.94 120.64 107.86 1iou n GLU 115 Ca -0.01 -0.58 -0.26 0.00 -0.16 0.00 0.00 57.16 56.15 1iou n GLU 115 Cb 0.37 0.14 -0.10 0.00 1.43 0.00 0.00 31.44 33.28 1iou n GLU 115 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1iou s THR 116 N 0.06 2.32 0.00 3.84 -4.23 -1.26 -4.97 115.64 111.40 1iou s THR 116 Ca 0.05 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1iou s THR 116 Cb 0.18 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1iou s THR 116 CO -0.05 -0.21 0.00 -3.20 -0.54 0.00 0.00 174.62 170.62 1iou n ASN 117 N -0.82 0.00 0.25 3.99 2.85 0.34 -3.38 115.26 118.50 1iou n ASN 117 Ca -0.05 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.58 1iou n ASN 117 Cb 0.63 0.00 0.83 0.00 1.24 0.00 0.00 39.78 42.48 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1iou h ASP 118 N 0.00 0.00 0.13 1.20 5.19 -1.85 -2.73 116.42 118.35 1iou h ASP 118 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1iou h ASP 118 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1iou h ASP 118 CO 0.00 0.00 -0.23 0.00 -3.12 0.00 0.00 179.24 175.89 1iou h ALA 119 N 1.83 -0.39 -0.21 3.45 0.00 -1.93 -1.52 119.26 120.48 1iou h ALA 119 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1iou h ALA 119 Cb 0.15 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1iou h ALA 119 CO 0.00 -0.76 0.17 1.25 0.00 0.00 0.00 179.25 179.91 1iou h LEU 120 N -0.43 0.00 -0.31 0.00 5.85 -1.78 -3.48 115.31 115.16 1iou h LEU 120 Ca 0.02 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.99 1iou h LEU 120 Cb 0.45 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 1iou h LEU 120 CO -0.12 0.00 -0.65 1.17 -0.34 0.00 0.00 178.44 178.50 1iou n LYS 121 N -4.21 -2.14 -2.66 1.25 4.81 -0.57 -5.00 118.16 109.63 1iou n LYS 121 Ca 0.02 1.62 -0.04 0.00 -0.87 0.00 0.00 58.31 59.04 1iou n LYS 121 Cb 0.31 -2.54 0.07 0.00 0.02 0.00 0.00 35.03 32.89 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 -3.71 0.10 -0.58 1.64 1.56 -1.26 -4.96 117.12 109.92 1iou n MET 122 Ca -0.03 -0.68 0.46 0.00 -0.27 0.00 0.00 57.70 57.18 1iou n MET 122 Cb 0.46 -0.09 0.71 0.00 2.15 0.00 0.00 33.22 36.45 1iou n MET 122 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1iou n LYS 123 N 1.79 0.00 0.00 2.12 5.02 -1.26 -1.86 118.16 123.97 1iou n LYS 123 Ca 0.04 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1iou n LYS 123 Cb 0.69 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1iou n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1iou n GLN 124 N -3.70 0.00 -0.30 1.97 1.13 -1.26 -0.80 117.38 114.41 1iou n GLN 124 Ca 0.38 0.22 0.32 0.00 -1.94 0.00 0.00 57.00 55.98 1iou n GLN 124 Cb 1.86 -1.09 0.69 0.00 0.11 0.00 0.00 30.24 31.81 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 0.11 0.01 1.08 -0.00 -1.75 0.51 115.31 115.26 1iou h LEU 125 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1iou h LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1iou h LEU 125 CO 0.00 0.02 -0.01 -2.24 -0.00 0.00 0.00 178.44 176.21 1iou h ASP 126 N 0.09 -0.02 0.12 0.17 3.04 -1.53 -2.51 116.42 115.79 1iou h ASP 126 Ca 0.56 -0.53 -0.02 0.00 -3.24 0.00 0.00 57.03 53.80 1iou h ASP 126 Cb 2.02 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.31 1iou h ASP 126 CO -0.08 0.74 -0.08 0.74 -2.04 0.00 0.00 179.24 178.52 1iou h THR 127 N -0.99 0.87 0.02 1.15 2.02 -0.30 -1.82 112.91 113.86 1iou h THR 127 Ca -0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1iou h THR 127 Cb 0.54 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1iou h THR 127 CO 0.00 0.08 -0.01 1.88 0.37 0.00 0.00 175.52 177.84 1iou h TYR 128 N 0.00 -0.02 0.00 3.16 -1.99 -0.10 -2.35 116.97 115.67 1iou h TYR 128 Ca -0.00 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1iou h TYR 128 Cb 0.16 0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.90 1iou h TYR 128 CO 0.00 0.60 -0.11 0.97 -0.00 0.00 0.00 178.16 179.63 1iou h ILE 129 N -0.68 0.57 0.07 -2.88 -0.00 -1.19 0.66 117.51 114.07 1iou h ILE 129 Ca -0.00 -0.47 -0.24 0.00 -0.00 0.00 0.00 64.86 64.15 1iou h ILE 129 Cb 0.64 1.30 0.02 0.00 -0.00 0.00 0.00 36.82 38.78 1iou h ILE 129 CO 0.00 0.10 -0.99 -1.28 -0.00 0.00 0.00 178.15 175.99 1iou h SER 130 N 0.00 0.74 1.07 2.19 0.87 -1.34 -3.27 113.55 113.81 1iou h SER 130 Ca -0.00 -0.81 -0.17 0.00 -1.23 0.00 0.00 61.79 59.58 1iou h SER 130 Cb 0.29 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1iou h SER 130 CO 0.01 1.47 -0.97 0.11 -0.53 0.00 0.00 176.83 176.92 1iou h LYS 131 N 0.11 0.00 0.00 2.24 6.56 -1.06 -3.28 116.57 121.14 1iou h LYS 131 Ca -0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1iou h LYS 131 Cb 1.69 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 1iou h LYS 131 CO 0.19 0.59 0.00 0.66 -2.06 0.00 0.00 179.45 178.83 1iou n TYR 132 N -3.16 0.30 0.08 -1.35 4.02 0.23 -3.77 117.16 113.51 1iou n TYR 132 Ca -0.03 0.12 0.12 0.00 -0.01 0.00 0.00 57.90 58.10 1iou n TYR 132 Cb 0.85 -0.69 0.19 0.00 -0.02 0.00 0.00 39.34 39.66 1iou n TYR 132 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iou n GLN 133 N -1.77 0.02 -2.69 -0.72 1.13 -1.23 -4.42 117.38 107.69 1iou n GLN 133 Ca 0.03 0.95 -0.22 0.00 -1.94 0.00 0.00 57.00 55.81 1iou n GLN 133 Cb 0.17 -2.47 0.03 0.00 0.11 0.00 0.00 30.24 28.08 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1iou s ASP 134 N -3.17 5.42 0.38 1.08 1.11 -1.25 -3.71 116.67 116.54 1iou s ASP 134 Ca -0.01 0.16 0.06 0.00 0.18 0.00 0.00 52.55 52.94 1iou s ASP 134 Cb 0.06 -1.14 0.76 0.00 1.07 0.00 0.00 42.92 43.67 1iou s ASP 134 CO 0.20 -1.04 2.00 1.55 1.18 0.00 0.00 175.17 179.06 1iou h PRO 135 N 0.10 0.57 -0.12 8.23 0.13 -1.77 -3.41 132.00 135.73 1iou h PRO 135 Ca -0.44 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1iou h PRO 135 Cb 1.28 -0.12 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1iou h PRO 135 CO 0.55 0.44 -0.10 0.43 -0.23 0.00 0.00 178.00 179.09 1iou n SER 136 N -4.41 -1.39 0.12 1.44 7.64 -1.26 -4.89 113.62 110.87 1iou n SER 136 Ca 0.03 -1.17 0.17 0.00 1.01 0.00 0.00 58.87 58.92 1iou n SER 136 Cb 0.11 0.72 0.57 0.00 -1.01 0.00 0.00 64.21 64.60 1iou n SER 136 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1iou h GLN 137 N 3.88 0.00 -2.03 1.43 1.08 -1.86 -3.45 115.11 114.16 1iou h GLN 137 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1iou h GLN 137 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1iou h GLN 137 CO -0.14 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.74 1iou n ALA 138 N -2.06 -1.88 -3.43 3.87 0.00 -1.26 -4.60 120.51 111.15 1iou n ALA 138 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1iou n ALA 138 Cb 0.83 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.39 -4.99 0.00 0.00 2.03 -1.26 -5.26 116.55 106.68 1iou n ASP 139 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1iou n ASP 139 Cb 0.05 -4.55 0.00 0.00 -0.72 0.00 0.00 41.12 35.90 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28