#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 0.07 -2.01 2.12 1.74 -1.26 -4.70 116.66 112.61 1iou n ARG 2 Ca 0.00 -0.60 -0.39 0.00 -0.77 0.00 0.00 57.85 56.08 1iou n ARG 2 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.05 2.53 -0.01 0.55 2.07 -1.26 -2.56 121.20 122.57 1iou s ILE 3 Ca 0.24 0.46 0.00 0.00 -1.41 0.00 0.00 60.65 59.94 1iou s ILE 3 Cb 0.23 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.55 1iou s ILE 3 CO -0.11 0.06 0.00 -1.22 -1.91 0.00 0.00 174.94 171.75 1iou n TYR 4 N -0.06 0.00 -3.76 3.50 4.01 -1.01 -4.87 117.16 114.97 1iou n TYR 4 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1iou n TYR 4 Cb 0.44 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.01 -0.14 0.19 -0.72 6.14 0.81 0.10 117.35 121.71 1iou s TYR 5 Ca -0.00 0.13 -0.13 0.00 0.64 0.00 0.00 57.07 57.70 1iou s TYR 5 Cb 0.00 0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.48 1iou s TYR 5 CO 0.02 -0.44 0.41 0.42 0.64 0.00 0.00 175.55 176.61 1iou s ILE 6 N -1.85 0.04 -4.30 3.14 1.01 0.31 0.12 121.20 119.68 1iou s ILE 6 Ca -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1iou s ILE 6 Cb -0.03 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1iou s ILE 6 CO 0.01 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.38 1iou n GLY 7 N -0.29 -0.55 3.26 6.18 0.00 0.46 0.64 105.19 114.88 1iou n GLY 7 Ca -0.08 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 0.04 -0.15 1.61 1.01 0.43 -1.88 120.40 118.45 1iou s VAL 8 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1iou s VAL 8 Cb 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.81 1iou s VAL 8 CO 0.00 -0.19 0.39 -0.36 0.00 0.00 0.00 175.10 174.94 1iou s PHE 9 N -1.03 -0.50 0.23 5.22 0.40 0.38 -1.45 117.98 121.23 1iou s PHE 9 Ca -0.11 1.14 -0.30 0.00 -0.60 0.00 0.00 56.93 57.07 1iou s PHE 9 Cb -0.04 0.19 -0.09 0.00 0.51 0.00 0.00 43.02 43.59 1iou s PHE 9 CO 0.04 -0.27 1.05 0.50 0.70 0.00 0.00 175.22 177.24 1iou s ARG 10 N 0.77 4.69 -0.92 0.44 3.00 -1.26 -2.23 118.95 123.44 1iou s ARG 10 Ca -0.05 1.68 -0.24 0.00 -1.00 0.00 0.00 55.73 56.12 1iou s ARG 10 Cb -0.06 -3.25 -0.05 0.00 0.00 0.00 0.00 34.95 31.60 1iou s ARG 10 CO -0.06 0.25 1.94 -1.12 0.00 0.00 0.00 175.30 176.32 1iou s SER 11 N -0.69 5.14 0.06 -2.12 0.01 -1.25 0.15 113.70 114.99 1iou s SER 11 Ca 0.45 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1iou s SER 11 Cb -0.29 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1iou s SER 11 CO 0.36 -2.76 0.00 0.61 0.41 0.00 0.00 173.24 171.86 1iou n GLY 12 N 6.78 -0.39 0.00 3.44 0.00 -1.25 -4.96 105.19 108.82 1iou n GLY 12 Ca 0.40 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.26 0.11 -0.02 0.00 -1.26 -4.59 105.19 102.17 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 0.83 0.00 0.00 0.00 173.32 174.15 1iou h GLU 14 N 0.00 0.00 -4.70 1.61 5.08 -1.97 -3.45 114.58 111.15 1iou h GLU 14 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1iou h GLU 14 Cb 0.00 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 28.93 1iou h GLU 14 CO 0.00 0.00 -0.81 0.21 -1.00 0.00 0.00 179.01 177.41 1iou s LYS 15 N -3.19 1.48 1.08 2.33 2.36 -1.26 -4.84 119.74 117.70 1iou s LYS 15 Ca 0.06 -0.41 -0.12 0.00 -2.55 0.00 0.00 55.97 52.95 1iou s LYS 15 Cb 0.11 -1.28 0.24 0.00 -1.05 0.00 0.00 37.83 35.85 1iou s LYS 15 CO 0.69 0.09 1.06 0.00 1.55 0.00 0.00 175.35 178.74 1iou s ALA 16 N 0.42 0.20 0.45 3.13 0.00 -1.20 -3.90 121.76 120.86 1iou s ALA 16 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1iou s ALA 16 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1iou s ALA 16 CO 0.02 -3.39 0.00 -0.11 0.00 0.00 0.00 175.76 172.29 1iou n LEU 17 N -4.59 0.00 -2.57 0.00 0.00 0.12 -4.78 117.00 105.18 1iou n LEU 17 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.04 1iou n LEU 17 Cb 0.55 0.00 0.09 0.00 0.00 0.00 0.00 43.42 44.06 1iou n LEU 17 CO 0.57 0.00 0.43 -0.62 0.00 0.00 0.00 177.39 177.77 1iou n GLU 18 N 0.00 1.33 -0.10 1.96 1.02 -1.26 -4.59 120.64 119.00 1iou n GLU 18 Ca 0.00 -1.83 -0.01 0.00 -0.02 0.00 0.00 57.16 55.31 1iou n GLU 18 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 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 -1.14 -0.18 -3.28 -4.62 4.77 -0.53 -3.91 117.00 108.10 1iou n LEU 19 Ca -0.11 0.45 0.03 0.00 -0.03 0.00 0.00 56.01 56.34 1iou n LEU 19 Cb 0.85 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1iou n LEU 19 CO -0.09 -0.39 0.63 -0.94 -1.33 0.00 0.00 177.39 175.26 1iou s SER 20 N -5.10 -0.50 -0.16 -1.43 1.04 -0.59 -3.51 113.70 103.46 1iou s SER 20 Ca -0.03 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 1iou s SER 20 Cb 0.05 1.51 -0.03 0.00 0.10 0.00 0.00 66.02 67.65 1iou s SER 20 CO 0.18 -0.09 -0.02 -1.83 0.98 0.00 0.00 173.24 172.45 1iou s GLU 21 N 2.56 3.69 -0.08 4.02 -1.05 -1.25 0.16 118.70 126.75 1iou s GLU 21 Ca -0.01 -0.49 0.05 0.00 -0.15 0.00 0.00 54.97 54.37 1iou s GLU 21 Cb -0.07 -2.95 -0.01 0.00 -0.44 0.00 0.00 34.13 30.67 1iou s GLU 21 CO -0.15 0.27 -0.24 0.54 0.95 0.00 0.00 175.26 176.62 1iou s VAL 22 N 0.30 2.04 0.13 1.83 0.11 0.21 -4.85 120.40 120.18 1iou s VAL 22 Ca -0.02 -1.04 0.09 0.00 -2.93 0.00 0.00 61.98 58.08 1iou s VAL 22 Cb -0.14 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1iou s VAL 22 CO 0.02 0.56 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.64 1iou s LYS 23 N 0.07 1.76 -0.25 1.54 3.01 -1.26 -0.53 119.74 124.08 1iou s LYS 23 Ca -0.11 -1.24 -0.00 0.00 -1.01 0.00 0.00 55.97 53.61 1iou s LYS 23 Cb -0.16 -2.07 0.07 0.00 -1.01 0.00 0.00 37.83 34.66 1iou s LYS 23 CO 0.06 0.46 0.01 0.34 0.51 0.00 0.00 175.35 176.73 1iou s ASP 24 N -2.28 3.70 -0.52 2.83 2.15 0.28 -4.96 116.67 117.88 1iou s ASP 24 Ca 0.19 -1.25 0.04 0.00 0.43 0.00 0.00 52.55 51.95 1iou s ASP 24 Cb -0.10 -0.99 0.15 0.00 -0.30 0.00 0.00 42.92 41.69 1iou s ASP 24 CO 0.10 -0.30 0.35 -0.76 -0.17 0.00 0.00 175.17 174.39 1iou s LEU 25 N 1.53 3.09 -0.11 -1.34 1.43 -1.26 -4.53 118.68 117.49 1iou s LEU 25 Ca -0.00 -3.14 -0.05 0.00 -1.03 0.00 0.00 54.13 49.90 1iou s LEU 25 Cb -0.18 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1iou s LEU 25 CO -0.11 -0.18 -0.11 0.28 0.23 0.00 0.00 176.35 176.46 1iou h SER 26 N 6.02 0.00 1.29 2.29 0.02 -1.95 -3.39 113.55 117.84 1iou h SER 26 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1iou h SER 26 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1iou h SER 26 CO 0.53 0.57 0.00 1.56 -1.14 0.00 0.00 176.83 178.36 1iou h GLN 27 N -0.85 0.00 -6.45 3.45 1.08 -2.02 -3.43 115.11 106.90 1iou h GLN 27 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1iou h GLN 27 Cb 0.30 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.67 1iou h GLN 27 CO 0.00 0.00 0.87 -0.06 -0.95 0.00 0.00 178.83 178.69 1iou s PHE 28 N -3.39 3.03 0.00 2.96 0.40 -1.26 -5.02 117.98 114.70 1iou s PHE 28 Ca 0.05 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1iou s PHE 28 Cb 0.08 -3.96 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1iou s PHE 28 CO 0.55 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.93 1iou n GLY 29 N 4.23 -2.69 0.12 4.36 0.00 -1.26 -3.97 105.19 105.97 1iou n GLY 29 Ca 0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.58 -0.27 -0.40 1.61 0.04 -1.97 1.00 116.94 115.36 1iou h PHE 30 Ca 0.00 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1iou h PHE 30 Cb 0.00 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1iou h PHE 30 CO 0.00 -0.17 0.27 0.74 -0.60 0.00 0.00 178.31 178.56 1iou h PHE 31 N -0.34 0.23 -0.11 -0.55 0.04 -2.01 -0.86 116.94 113.34 1iou h PHE 31 Ca -0.03 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 1iou h PHE 31 Cb 0.22 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.31 1iou h PHE 31 CO 0.14 0.12 -0.80 1.49 -0.60 0.00 0.00 178.31 178.66 1iou h GLU 32 N 0.22 0.67 -0.91 1.51 4.81 -1.85 -2.94 114.58 116.09 1iou h GLU 32 Ca 0.18 -0.57 0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1iou h GLU 32 Cb 0.43 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1iou h GLU 32 CO -0.03 1.19 0.58 -0.09 -0.73 0.00 0.00 179.01 179.93 1iou h ARG 33 N 0.45 0.80 -0.05 1.92 2.43 0.25 0.34 114.38 120.53 1iou h ARG 33 Ca -0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1iou h ARG 33 Cb 1.42 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1iou h ARG 33 CO 0.16 0.53 -0.10 1.03 -1.51 0.00 0.00 179.97 180.08 1iou h SER 34 N 0.83 0.17 0.48 -3.80 0.87 -1.47 -1.72 113.55 108.89 1iou h SER 34 Ca 0.44 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1iou h SER 34 Cb 0.55 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1iou h SER 34 CO -0.21 0.71 -0.23 0.77 -0.53 0.00 0.00 176.83 177.34 1iou h SER 35 N -0.37 -0.54 -0.96 6.23 4.64 -1.22 -2.34 113.55 118.99 1iou h SER 35 Ca 0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1iou h SER 35 Cb 0.68 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.84 1iou h SER 35 CO 0.02 -0.29 0.62 0.58 -0.87 0.00 0.00 176.83 176.89 1iou h VAL 36 N -0.77 1.03 -0.33 0.95 2.07 -0.45 -1.59 116.25 117.16 1iou h VAL 36 Ca -0.07 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1iou h VAL 36 Cb 0.55 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1iou h VAL 36 CO 0.11 0.19 0.05 1.23 0.02 0.00 0.00 177.57 179.17 1iou h GLY 37 N 1.05 0.37 1.50 2.17 0.00 -1.13 0.40 103.07 107.43 1iou h GLY 37 Ca 0.43 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.80 1iou h GLY 37 CO -0.18 -0.03 0.22 -1.61 0.00 0.00 0.00 176.54 174.94 1iou h GLN 38 N 0.17 0.20 0.32 4.80 5.75 -0.76 0.14 115.11 125.72 1iou h GLN 38 Ca 0.16 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1iou h GLN 38 Cb 0.18 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1iou h GLN 38 CO -0.22 0.13 -0.15 0.35 -2.65 0.00 0.00 178.83 176.30 1iou h PHE 39 N 0.21 -0.39 0.35 3.99 3.57 0.11 -1.64 116.94 123.13 1iou h PHE 39 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1iou h PHE 39 Cb 0.30 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1iou h PHE 39 CO -0.00 -0.05 -0.18 0.00 -2.23 0.00 0.00 178.31 175.86 1iou h MET 40 N -0.88 -0.46 0.84 1.11 -0.00 0.20 -2.01 114.93 113.72 1iou h MET 40 Ca -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 59.70 59.65 1iou h MET 40 Cb 0.52 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 1iou h MET 40 CO 0.07 -0.31 -0.45 1.15 -0.00 0.00 0.00 176.91 177.37 1iou h THR 41 N -0.48 0.00 -1.21 -0.10 2.02 -0.85 0.21 112.91 112.49 1iou h THR 41 Ca -0.05 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.49 1iou h THR 41 Cb 0.37 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 1iou h THR 41 CO 0.07 0.00 0.80 0.15 0.37 0.00 0.00 175.52 176.91 1iou h PHE 42 N -1.18 0.50 0.02 3.16 3.04 -1.34 1.06 116.94 122.18 1iou h PHE 42 Ca -0.11 0.02 -0.26 0.00 3.98 0.00 0.00 57.97 61.60 1iou h PHE 42 Cb 0.93 -0.13 0.02 0.00 2.56 0.00 0.00 35.95 39.32 1iou h PHE 42 CO -0.03 -0.07 -1.04 0.35 -2.02 0.00 0.00 178.31 175.50 1iou h PHE 43 N 0.20 0.91 -0.28 0.41 3.57 -0.92 -2.19 116.94 118.65 1iou h PHE 43 Ca 0.70 -0.51 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1iou h PHE 43 Cb 2.14 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.77 1iou h PHE 43 CO -0.00 1.34 -0.27 0.00 -2.23 0.00 0.00 178.31 177.15 1iou h ALA 44 N 0.49 1.00 -0.25 2.41 0.00 0.42 -1.37 119.26 121.96 1iou h ALA 44 Ca -0.12 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1iou h ALA 44 Cb 1.70 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1iou h ALA 44 CO 0.20 0.59 -0.56 1.05 0.00 0.00 0.00 179.25 180.53 1iou h GLU 45 N 0.49 0.77 0.52 0.00 4.11 -0.20 -2.83 114.58 117.44 1iou h GLU 45 Ca 0.07 -0.50 -0.03 0.00 0.07 0.00 0.00 59.36 58.98 1iou h GLU 45 Cb 0.72 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1iou h GLU 45 CO 0.06 1.12 -0.25 1.15 0.07 0.00 0.00 179.01 181.16 1iou h THR 46 N 0.58 0.49 -0.24 -1.06 2.02 -1.12 -1.42 112.91 112.16 1iou h THR 46 Ca 0.01 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1iou h THR 46 Cb 1.15 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 1iou h THR 46 CO 0.12 0.00 -0.48 -0.37 0.37 0.00 0.00 175.52 175.16 1iou h VAL 47 N -0.70 0.00 -0.96 3.16 -1.51 -1.27 1.17 116.25 116.15 1iou h VAL 47 Ca -0.07 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.68 1iou h VAL 47 Cb 0.53 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.66 1iou h VAL 47 CO 0.12 0.00 0.70 0.00 -1.23 0.00 0.00 177.57 177.16 1iou h ALA 48 N -0.33 2.90 -0.14 5.19 0.00 -1.46 1.60 119.26 127.01 1iou h ALA 48 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1iou h ALA 48 Cb 0.55 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1iou h ALA 48 CO -0.45 -1.19 -0.77 0.66 0.00 0.00 0.00 179.25 177.50 1iou h SER 49 N 0.00 0.92 0.57 0.00 4.64 0.21 -3.19 113.55 116.70 1iou h SER 49 Ca 0.45 -0.64 -0.18 0.00 -0.47 0.00 0.00 61.79 60.95 1iou h SER 49 Cb 1.85 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1iou h SER 49 CO -0.00 1.41 -0.82 0.03 -0.87 0.00 0.00 176.83 176.58 1iou h ARG 50 N 0.50 0.18 -6.35 4.77 3.08 0.82 -3.42 114.38 113.96 1iou h ARG 50 Ca -0.06 -0.18 -0.55 0.00 0.07 0.00 0.00 59.98 59.27 1iou h ARG 50 Cb 1.40 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.45 1iou h ARG 50 CO 0.16 0.90 1.17 0.99 -1.07 0.00 0.00 179.97 182.11 1iou s THR 51 N -3.30 3.69 -0.06 2.04 2.01 0.47 -4.86 115.64 115.62 1iou s THR 51 Ca -0.03 0.62 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 1iou s THR 51 Cb 0.11 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.52 1iou s THR 51 CO 0.82 -0.87 1.86 0.61 -0.69 0.00 0.00 174.62 176.34 1iou n GLY 52 N 5.32 2.73 1.63 4.40 0.00 -1.26 -4.84 105.19 113.16 1iou n GLY 52 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.12 -1.98 -0.96 4.61 0.00 -1.26 -4.77 120.51 117.26 1iou n ALA 53 Ca 0.06 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1iou n ALA 53 Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.27 0.64 3.20 0.00 0.00 -1.24 -4.98 105.19 100.53 1iou n GLY 54 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.22 0.96 0.05 1.61 -1.05 -1.26 -5.00 118.70 113.80 1iou s GLU 55 Ca 0.00 -1.33 0.09 0.00 -0.15 0.00 0.00 54.97 53.58 1iou s GLU 55 Cb 0.00 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1iou s GLU 55 CO 0.00 -0.29 -0.26 -0.98 0.95 0.00 0.00 175.26 174.67 1iou s ARG 56 N -4.01 1.77 0.23 -4.83 1.70 -1.26 -2.52 118.95 110.03 1iou s ARG 56 Ca 0.20 -1.13 0.10 0.00 -0.47 0.00 0.00 55.73 54.43 1iou s ARG 56 Cb 0.06 -1.97 -0.05 0.00 -0.57 0.00 0.00 34.95 32.42 1iou s ARG 56 CO -0.00 0.51 -0.18 -0.65 -1.08 0.00 0.00 175.30 173.90 1iou s GLN 57 N -1.31 1.49 -0.27 3.89 -0.21 -0.36 -4.93 119.66 117.96 1iou s GLN 57 Ca 0.12 -1.64 -0.02 0.00 0.02 0.00 0.00 55.36 53.84 1iou s GLN 57 Cb -0.10 -1.48 0.12 0.00 1.00 0.00 0.00 33.01 32.55 1iou s GLN 57 CO 0.02 0.27 0.25 -1.12 -2.12 0.00 0.00 175.29 172.60 1iou s SER 58 N -3.28 1.88 -0.52 5.90 0.01 -1.25 0.13 113.70 116.58 1iou s SER 58 Ca 0.25 -0.70 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 1iou s SER 58 Cb -0.04 0.35 0.07 0.00 0.21 0.00 0.00 66.02 66.61 1iou s SER 58 CO 0.11 -0.38 0.59 0.27 0.41 0.00 0.00 173.24 174.23 1iou s ILE 59 N 2.31 4.95 -0.33 1.44 -4.36 -0.91 -4.78 121.20 119.53 1iou s ILE 59 Ca 0.09 -0.73 -0.13 0.00 -0.26 0.00 0.00 60.65 59.62 1iou s ILE 59 Cb -0.15 -4.30 -0.02 0.00 1.25 0.00 0.00 42.46 39.24 1iou s ILE 59 CO -0.28 -0.82 0.23 -1.61 0.24 0.00 0.00 174.94 172.70 1iou s GLU 60 N 2.41 3.57 -0.29 0.37 2.02 -1.25 0.11 118.70 125.64 1iou s GLU 60 Ca 0.12 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1iou s GLU 60 Cb -0.21 -3.79 0.09 0.00 0.10 0.00 0.00 34.13 30.32 1iou s GLU 60 CO 0.09 -0.40 0.05 -2.00 0.02 0.00 0.00 175.26 173.02 1iou s GLU 61 N 1.73 1.09 0.00 1.61 2.12 0.29 -4.92 118.70 120.62 1iou s GLU 61 Ca 0.06 -1.20 0.00 0.00 0.36 0.00 0.00 54.97 54.20 1iou s GLU 61 Cb -0.17 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1iou s GLU 61 CO 0.11 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 1iou n GLY 62 N 4.68 0.46 0.76 -1.50 0.00 -1.26 -1.27 105.19 107.07 1iou n GLY 62 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1iou n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iou n ASN 63 N 1.28 -0.53 -3.89 1.61 0.23 -1.26 -5.06 115.26 107.63 1iou n ASN 63 Ca 0.00 -1.53 -0.24 0.00 -0.53 0.00 0.00 54.58 52.28 1iou n ASN 63 Cb 0.00 0.16 -0.17 0.00 -2.08 0.00 0.00 39.78 37.69 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1iou s TYR 64 N 0.00 1.16 -0.10 -2.53 1.51 -0.40 -4.21 117.35 112.79 1iou s TYR 64 Ca 0.00 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1iou s TYR 64 Cb 0.00 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 1iou s TYR 64 CO 0.00 -0.37 -0.03 0.42 -1.11 0.00 0.00 175.55 174.46 1iou s ILE 65 N 1.43 3.99 -0.71 2.71 1.01 0.33 0.11 121.20 130.07 1iou s ILE 65 Ca -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1iou s ILE 65 Cb -0.13 -2.68 0.17 0.00 0.01 0.00 0.00 42.46 39.83 1iou s ILE 65 CO -0.04 0.58 0.52 -0.83 0.00 0.00 0.00 174.94 175.17 1iou s GLY 66 N -0.55 2.86 0.73 6.18 0.00 0.30 0.14 107.32 116.98 1iou s GLY 66 Ca 0.09 -3.70 -0.16 0.00 0.00 0.00 0.00 44.72 40.95 1iou s GLY 66 CO 0.02 1.10 1.03 1.42 0.00 0.00 0.00 173.10 176.67 1iou n HIS 67 N 2.37 0.86 -3.71 1.90 8.25 0.88 -2.13 115.22 123.64 1iou n HIS 67 Ca 0.17 0.40 -0.12 0.00 -0.26 0.00 0.00 57.72 57.90 1iou n HIS 67 Cb 0.35 -2.10 -0.10 0.00 1.12 0.00 0.00 29.99 29.27 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 -1.83 -0.00 -0.22 1.59 1.01 0.35 -0.63 120.40 120.67 1iou s VAL 68 Ca 0.74 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1iou s VAL 68 Cb -0.34 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.49 1iou s VAL 68 CO 0.50 0.01 0.33 -0.31 0.00 0.00 0.00 175.10 175.63 1iou s TYR 69 N 0.54 -0.65 -0.00 5.22 2.02 -0.94 -1.22 117.35 122.31 1iou s TYR 69 Ca -0.02 0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 57.31 1iou s TYR 69 Cb -0.04 -0.03 -0.06 0.00 -0.40 0.00 0.00 41.96 41.43 1iou s TYR 69 CO -0.03 -0.62 0.49 0.00 -1.57 0.00 0.00 175.55 173.82 1iou s ALA 70 N 2.49 3.60 1.40 3.71 0.00 -1.05 -2.28 121.76 129.64 1iou s ALA 70 Ca 0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 1iou s ALA 70 Cb -0.15 -2.55 0.33 0.00 0.00 0.00 0.00 23.12 20.75 1iou s ALA 70 CO -0.14 0.33 0.78 0.54 0.00 0.00 0.00 175.76 177.27 1iou n ARG 71 N 2.27 -4.36 -0.26 0.00 5.12 -1.26 -4.17 116.66 114.00 1iou n ARG 71 Ca -0.11 -1.30 0.06 0.00 -1.93 0.00 0.00 57.85 54.58 1iou n ARG 71 Cb 0.52 -1.63 0.19 0.00 -1.16 0.00 0.00 32.46 30.38 1iou n ARG 71 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1iou h SER 72 N -3.34 -0.12 0.00 0.55 4.64 -1.98 -3.29 113.55 110.02 1iou h SER 72 Ca -0.34 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1iou h SER 72 Cb 1.15 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1iou h SER 72 CO 0.21 -0.11 0.00 1.21 -0.87 0.00 0.00 176.83 177.27 1iou n GLU 73 N -5.23 0.00 0.00 4.77 2.13 -1.26 -4.49 120.64 116.56 1iou n GLU 73 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1iou n GLU 73 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 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 -1.57 3.30 8.31 0.00 -1.26 -4.99 105.19 108.98 1iou n GLY 74 Ca 0.00 0.64 -0.35 0.00 0.00 0.00 0.00 46.02 46.31 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 3.30 0.51 -0.61 -0.00 -1.26 -3.87 121.20 119.26 1iou s ILE 75 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1iou s ILE 75 Cb 0.00 -2.50 0.02 0.00 -0.00 0.00 0.00 42.46 39.97 1iou s ILE 75 CO 0.00 0.42 0.73 0.00 -0.00 0.00 0.00 174.94 176.09 1iou s GLY 77 N -4.32 1.38 0.01 0.00 0.00 -0.96 -0.47 107.32 102.95 1iou s GLY 77 Ca 0.53 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1iou s GLY 77 CO 0.39 -1.70 -0.05 0.14 0.00 0.00 0.00 173.10 171.88 1iou s VAL 78 N -2.86 0.34 -0.07 1.40 1.01 -0.79 -2.22 120.40 117.21 1iou s VAL 78 Ca 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1iou s VAL 78 Cb -0.01 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1iou s VAL 78 CO 0.06 -0.05 -0.00 -0.76 0.00 0.00 0.00 175.10 174.35 1iou s LEU 79 N -0.49 0.68 -0.24 3.92 1.02 0.20 -0.40 118.68 123.37 1iou s LEU 79 Ca -0.02 -0.08 -0.06 0.00 0.02 0.00 0.00 54.13 53.99 1iou s LEU 79 Cb -0.04 -0.43 -0.02 0.00 0.02 0.00 0.00 46.19 45.73 1iou s LEU 79 CO -0.00 -0.18 0.02 0.27 0.02 0.00 0.00 176.35 176.48 1iou s ILE 80 N 1.83 3.90 0.33 -0.59 -4.36 0.33 0.30 121.20 122.95 1iou s ILE 80 Ca 0.03 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.13 1iou s ILE 80 Cb -0.12 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 1iou s ILE 80 CO -0.05 0.36 0.34 0.28 0.24 0.00 0.00 174.94 176.12 1iou s THR 81 N 1.55 0.00 1.26 8.37 -1.32 0.38 -0.13 115.64 125.75 1iou s THR 81 Ca 0.06 -1.87 -0.16 0.00 -1.21 0.00 0.00 61.69 58.51 1iou s THR 81 Cb -0.15 -2.55 0.32 0.00 -1.51 0.00 0.00 72.50 68.61 1iou s THR 81 CO 0.01 0.00 0.99 -0.62 -2.21 0.00 0.00 174.62 172.79 1iou s ASP 82 N -3.33 0.19 0.43 8.08 2.15 -1.06 0.12 116.67 123.25 1iou s ASP 82 Ca 0.37 1.23 0.24 0.00 0.43 0.00 0.00 52.55 54.82 1iou s ASP 82 Cb 0.02 -1.87 0.76 0.00 -0.30 0.00 0.00 42.92 41.53 1iou s ASP 82 CO 0.25 -4.65 1.75 0.50 -0.17 0.00 0.00 175.17 172.86 1iou h LYS 83 N -2.93 0.00 -0.92 4.34 3.64 -1.92 -2.95 116.57 115.83 1iou h LYS 83 Ca -0.56 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.72 1iou h LYS 83 Cb 1.34 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 1iou h LYS 83 CO 0.43 0.21 0.13 1.04 -2.27 0.00 0.00 179.45 178.99 1iou n GLN 84 N -3.28 1.96 -3.55 1.90 1.13 -1.26 -4.41 117.38 109.87 1iou n GLN 84 Ca 0.01 -1.17 -0.27 0.00 -1.94 0.00 0.00 57.00 53.63 1iou n GLN 84 Cb 0.48 -1.61 -0.09 0.00 0.11 0.00 0.00 30.24 29.12 1iou n GLN 84 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1iou n TYR 85 N 0.05 2.78 -0.89 1.08 4.19 -1.11 -0.63 117.16 122.62 1iou n TYR 85 Ca 0.17 -4.09 -0.29 0.00 3.31 0.00 0.00 57.90 57.00 1iou n TYR 85 Cb 0.79 -0.50 0.02 0.00 0.49 0.00 0.00 39.34 40.13 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 1.40 0.00 0.16 2.98 -0.02 -1.26 -4.86 135.00 133.40 1iou n PRO 86 Ca 0.26 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 1iou n PRO 86 Cb 0.41 -0.77 0.22 0.00 -0.02 0.00 0.00 33.50 33.33 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 -0.29 1.03 -0.44 -1.45 3.04 -1.98 -3.32 116.25 112.84 1iou h VAL 87 Ca -0.33 -1.89 0.07 0.00 -1.01 0.00 0.00 66.70 63.54 1iou h VAL 87 Cb 1.08 2.13 -0.09 0.00 -2.01 0.00 0.00 31.29 32.39 1iou h VAL 87 CO 0.27 0.47 -0.44 0.03 -1.01 0.00 0.00 177.57 176.89 1iou h ARG 88 N 0.00 -0.30 0.00 4.17 3.08 -1.99 0.60 114.38 119.94 1iou h ARG 88 Ca -0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1iou h ARG 88 Cb 1.09 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1iou h ARG 88 CO 0.06 -0.20 -0.15 -1.00 -1.07 0.00 0.00 179.97 177.61 1iou h PRO 89 N -0.31 0.00 -0.03 0.04 0.13 -1.92 -0.27 132.00 129.64 1iou h PRO 89 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 1iou h PRO 89 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1iou h PRO 89 CO -0.60 0.15 -0.48 0.00 -0.23 0.00 0.00 178.00 176.84 1iou h ALA 90 N 1.85 1.15 -0.35 -0.56 0.00 -0.48 0.37 119.26 121.24 1iou h ALA 90 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1iou h ALA 90 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1iou h ALA 90 CO 0.02 0.62 -0.42 -0.92 0.00 0.00 0.00 179.25 178.54 1iou h TYR 91 N 0.05 1.10 -0.49 0.00 3.20 0.17 0.29 116.97 121.30 1iou h TYR 91 Ca -0.00 -0.35 -0.10 0.00 3.14 0.00 0.00 58.73 61.43 1iou h TYR 91 Cb 0.87 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1iou h TYR 91 CO 0.00 1.18 -0.07 1.15 -1.64 0.00 0.00 178.16 178.78 1iou h THR 92 N 0.72 1.27 0.49 1.81 2.02 -0.81 0.17 112.91 118.57 1iou h THR 92 Ca 0.05 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1iou h THR 92 Cb 1.02 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1iou h THR 92 CO 0.10 0.41 -0.24 0.25 0.37 0.00 0.00 175.52 176.42 1iou h LEU 93 N 0.76 -0.56 -1.99 2.58 5.85 -0.13 -0.27 115.31 121.55 1iou h LEU 93 Ca 0.13 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1iou h LEU 93 Cb 0.61 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1iou h LEU 93 CO 0.04 -0.22 0.00 -0.07 -0.34 0.00 0.00 178.44 177.85 1iou h LEU 94 N -0.93 0.00 0.08 2.25 3.38 -0.44 0.39 115.31 120.05 1iou h LEU 94 Ca -0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1iou h LEU 94 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 1iou h LEU 94 CO 0.11 0.00 -0.82 -1.13 0.09 0.00 0.00 178.44 176.69 1iou h ASN 95 N 0.00 0.58 0.26 -0.43 -1.24 0.04 -1.47 115.58 113.32 1iou h ASN 95 Ca 0.00 -0.85 -0.25 0.00 0.71 0.00 0.00 56.30 55.91 1iou h ASN 95 Cb 0.04 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 38.92 1iou h ASN 95 CO 0.00 1.37 -1.03 0.50 -1.29 0.00 0.00 177.43 176.98 1iou h LYS 96 N -0.13 0.49 0.79 6.67 1.63 0.17 -2.47 116.57 123.74 1iou h LYS 96 Ca -0.13 -0.57 -0.04 0.00 -0.85 0.00 0.00 60.65 59.07 1iou h LYS 96 Cb 1.57 0.17 0.01 0.00 -0.60 0.00 0.00 32.23 33.38 1iou h LYS 96 CO 0.16 1.20 -0.38 0.82 -3.45 0.00 0.00 179.45 177.80 1iou h ILE 97 N 0.26 0.00 -0.66 2.00 2.04 -0.37 0.94 117.51 121.72 1iou h ILE 97 Ca -0.11 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 65.80 1iou h ILE 97 Cb 1.68 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.66 1iou h ILE 97 CO 0.19 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.38 1iou h LEU 98 N -1.15 -0.07 -1.55 1.44 4.07 -1.37 1.64 115.31 118.32 1iou h LEU 98 Ca -0.11 0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1iou h LEU 98 Cb 0.82 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1iou h LEU 98 CO 0.18 -0.04 -0.23 -0.78 -1.08 0.00 0.00 178.44 176.49 1iou h ASP 99 N 0.23 0.00 1.11 -0.43 3.58 -1.32 -1.36 116.42 118.22 1iou h ASP 99 Ca 0.36 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.66 1iou h ASP 99 Cb 0.57 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1iou h ASP 99 CO -0.48 0.23 -0.71 -0.08 -2.88 0.00 0.00 179.24 175.33 1iou h GLU 100 N 0.00 0.00 0.00 0.28 4.57 0.90 -3.14 114.58 117.19 1iou h GLU 100 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1iou h GLU 100 Cb 0.48 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1iou h GLU 100 CO 0.03 0.71 -0.69 -0.92 -1.18 0.00 0.00 179.01 176.96 1iou h TYR 101 N 0.00 0.00 -0.13 0.92 3.20 0.29 -3.11 116.97 118.15 1iou h TYR 101 Ca -0.01 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1iou h TYR 101 Cb 1.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1iou h TYR 101 CO 0.00 0.69 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.87 1iou h LEU 102 N 0.00 0.24 -0.06 2.82 3.38 -1.34 -3.15 115.31 117.20 1iou h LEU 102 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iou h LEU 102 Cb 1.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1iou h LEU 102 CO 0.09 0.52 -0.03 0.58 0.09 0.00 0.00 178.44 179.69 1iou h VAL 103 N 0.22 1.32 0.00 1.22 2.07 -1.58 -2.83 116.25 116.67 1iou h VAL 103 Ca 0.03 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1iou h VAL 103 Cb 0.61 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1iou h VAL 103 CO 0.04 0.28 0.68 0.00 0.02 0.00 0.00 177.57 178.59 1iou h ALA 104 N 0.62 1.67 -1.22 1.67 0.00 -1.57 -3.39 119.26 117.04 1iou h ALA 104 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1iou h ALA 104 Cb 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.94 1iou h ALA 104 CO 0.01 -0.67 0.65 -3.38 0.00 0.00 0.00 179.25 175.86 1iou s HIS 105 N -4.00 -0.22 0.23 0.00 0.00 -1.07 -5.12 115.29 105.12 1iou s HIS 105 Ca -0.02 0.46 -0.08 0.00 -3.00 0.00 0.00 55.06 52.42 1iou s HIS 105 Cb 0.04 0.18 -0.07 0.00 -4.00 0.00 0.00 32.58 28.74 1iou s HIS 105 CO 0.12 -0.11 -0.07 -2.30 -1.00 0.00 0.00 174.74 171.38 1iou n PRO 106 N 3.06 0.00 -0.17 -0.38 -0.02 -1.22 -4.54 135.00 131.73 1iou n PRO 106 Ca -0.17 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.26 1iou n PRO 106 Cb 0.57 -0.44 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 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 -0.02 -0.17 0.00 -0.52 5.09 -1.96 -1.22 116.57 117.76 1iou h LYS 107 Ca -0.18 0.01 -0.14 0.00 0.09 0.00 0.00 60.65 60.43 1iou h LYS 107 Cb 0.64 0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.99 1iou h LYS 107 CO 0.18 -0.11 -0.67 0.93 -2.09 0.00 0.00 179.45 177.69 1iou h GLU 108 N -0.18 0.00 -0.70 0.07 4.39 -1.96 -3.30 114.58 112.91 1iou h GLU 108 Ca 0.22 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.06 1iou h GLU 108 Cb 0.54 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.06 1iou h GLU 108 CO -0.63 0.67 -0.18 1.49 -1.16 0.00 0.00 179.01 179.20 1iou h GLU 109 N 0.00 -0.01 0.26 2.33 4.81 -1.50 -2.89 114.58 117.58 1iou h GLU 109 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1iou h GLU 109 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1iou h GLU 109 CO 0.09 -0.00 -0.12 0.11 -0.73 0.00 0.00 179.01 178.35 1iou h TRP 110 N -0.01 -0.32 -4.31 0.92 5.08 -1.65 -3.44 115.95 112.22 1iou h TRP 110 Ca 0.33 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 60.24 1iou h TRP 110 Cb 0.51 0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.77 1iou h TRP 110 CO -0.56 -0.20 -0.06 0.00 -1.28 0.00 0.00 178.44 176.34 1iou n ALA 111 N -2.50 -0.81 0.00 0.11 0.00 -1.09 0.15 120.51 116.36 1iou n ALA 111 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iou n ALA 111 Cb 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.21 0.00 0.00 0.00 9.92 -1.26 -4.87 116.55 119.14 1iou n ASP 112 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1iou n ASP 112 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1iou n VAL 113 N 0.00 0.00 -0.80 2.53 0.31 0.39 -4.64 118.33 116.12 1iou n VAL 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1iou n VAL 113 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -2.72 2.52 -2.24 -1.26 -4.69 114.28 105.88 1iou n THR 114 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1iou n THR 114 Cb 0.00 -0.63 0.10 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.80 1.04 -0.02 -0.78 0.28 -1.26 -5.14 120.64 113.96 1iou n GLU 115 Ca 0.00 -1.89 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 1iou n GLU 115 Cb 0.22 -0.84 0.00 0.00 1.43 0.00 0.00 31.44 32.25 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 0.18 0.00 -3.18 3.84 5.66 -1.26 -5.06 114.28 114.46 1iou n THR 116 Ca 0.04 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.83 1iou n THR 116 Cb 0.73 -1.90 -0.05 0.00 -1.55 0.00 0.00 70.33 67.56 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 -0.56 0.36 0.25 1.09 0.23 -1.23 -4.95 115.26 110.45 1iou n ASN 117 Ca 0.00 -2.83 0.14 0.00 -0.53 0.00 0.00 54.58 51.36 1iou n ASN 117 Cb 0.00 -0.57 0.62 0.00 -2.08 0.00 0.00 39.78 37.75 1iou n ASN 117 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1iou h ASP 118 N 3.60 0.00 0.89 0.53 3.04 -1.67 0.77 116.42 123.58 1iou h ASP 118 Ca 0.08 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.66 1iou h ASP 118 Cb 0.92 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.19 1iou h ASP 118 CO 0.47 0.00 -0.98 0.00 -2.04 0.00 0.00 179.24 176.69 1iou h ALA 119 N 1.05 0.40 0.16 4.15 0.00 -1.90 -3.29 119.26 119.83 1iou h ALA 119 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 54.91 53.82 1iou h ALA 119 Cb 1.16 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.84 1iou h ALA 119 CO -0.00 1.15 -1.30 -0.07 0.00 0.00 0.00 179.25 179.03 1iou h LEU 120 N 0.02 0.74 -0.60 0.00 -0.00 0.15 -3.50 115.31 112.11 1iou h LEU 120 Ca -0.02 -0.74 0.33 0.00 -0.00 0.00 0.00 57.88 57.45 1iou h LEU 120 Cb 1.70 -0.24 -0.18 0.00 -0.00 0.00 0.00 40.66 41.94 1iou h LEU 120 CO 0.13 1.56 -1.25 0.29 -0.00 0.00 0.00 178.44 179.17 1iou n LYS 121 N -3.71 -3.30 -2.95 1.13 5.02 -0.81 -4.72 118.16 108.81 1iou n LYS 121 Ca -0.13 2.71 -0.42 0.00 -2.02 0.00 0.00 58.31 58.45 1iou n LYS 121 Cb 1.02 -3.86 -0.05 0.00 -0.02 0.00 0.00 35.03 32.12 1iou n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1iou s MET 122 N -4.43 3.96 0.57 1.97 1.75 -1.26 -4.91 119.30 116.94 1iou s MET 122 Ca 0.00 0.56 0.32 0.00 -1.25 0.00 0.00 55.69 55.33 1iou s MET 122 Cb 0.00 -3.73 1.45 0.00 2.84 0.00 0.00 34.83 35.39 1iou s MET 122 CO 0.00 -0.68 1.80 1.57 -0.65 0.00 0.00 175.02 177.06 1iou h LYS 123 N 8.13 0.00 0.00 4.11 2.10 -1.99 0.17 116.57 129.09 1iou h LYS 123 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1iou h LYS 123 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1iou h LYS 123 CO 0.88 0.00 0.00 0.94 -2.00 0.00 0.00 179.45 179.27 1iou n GLN 124 N -3.93 0.00 -0.45 0.07 -0.06 -1.26 -1.96 117.38 109.79 1iou n GLN 124 Ca 0.18 0.48 0.40 0.00 -2.00 0.00 0.00 57.00 56.07 1iou n GLN 124 Cb 1.04 -0.99 0.75 0.00 -4.06 0.00 0.00 30.24 26.98 1iou n GLN 124 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1iou h LEU 125 N 0.00 0.05 0.10 1.69 6.46 -1.86 0.47 115.31 122.23 1iou h LEU 125 Ca 0.00 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1iou h LEU 125 Cb 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1iou h LEU 125 CO 0.00 -0.01 -0.05 -0.78 -0.62 0.00 0.00 178.44 176.98 1iou h ASP 126 N 0.03 -0.12 -0.23 1.25 1.82 -0.80 -2.08 116.42 116.29 1iou h ASP 126 Ca 0.70 -0.30 0.07 0.00 -0.39 0.00 0.00 57.03 57.10 1iou h ASP 126 Cb 2.68 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 42.71 1iou h ASP 126 CO -0.06 0.49 0.19 0.74 -1.61 0.00 0.00 179.24 178.98 1iou h THR 127 N -0.98 0.73 -0.03 2.25 2.02 -0.32 0.18 112.91 116.76 1iou h THR 127 Ca -0.01 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.97 1iou h THR 127 Cb 0.41 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1iou h THR 127 CO 0.02 0.00 -0.74 1.88 0.37 0.00 0.00 175.52 177.05 1iou h TYR 128 N 0.00 0.80 0.00 3.16 -1.99 -0.22 -2.10 116.97 116.62 1iou h TYR 128 Ca 0.11 -0.42 -0.10 0.00 2.00 0.00 0.00 58.73 60.33 1iou h TYR 128 Cb 0.48 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1iou h TYR 128 CO 0.00 1.24 -0.45 0.97 -0.00 0.00 0.00 178.16 179.91 1iou h ILE 129 N 0.14 1.02 0.05 -2.88 -0.00 -0.49 0.22 117.51 115.58 1iou h ILE 129 Ca -0.08 -1.76 -0.28 0.00 -0.00 0.00 0.00 64.86 62.74 1iou h ILE 129 Cb 1.42 2.04 0.02 0.00 -0.00 0.00 0.00 36.82 40.30 1iou h ILE 129 CO 0.15 0.45 -1.12 -1.28 -0.00 0.00 0.00 178.15 176.34 1iou h SER 130 N 0.00 0.84 0.96 2.19 0.87 -0.72 -3.27 113.55 114.41 1iou h SER 130 Ca -0.00 -0.72 -0.20 0.00 -1.23 0.00 0.00 61.79 59.63 1iou h SER 130 Cb 1.01 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1iou h SER 130 CO 0.06 1.52 -1.10 0.11 -0.53 0.00 0.00 176.83 176.90 1iou h LYS 131 N 0.32 0.00 0.00 2.24 6.56 -1.35 -3.25 116.57 121.09 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 1.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.44 1iou h LYS 131 CO 0.21 0.74 0.00 0.66 -2.06 0.00 0.00 179.45 179.00 1iou n TYR 132 N -3.22 0.36 -0.37 -1.35 4.01 0.78 -3.13 117.16 114.24 1iou n TYR 132 Ca -0.04 0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 1iou n TYR 132 Cb 0.92 -0.77 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 1iou n TYR 132 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1iou n GLN 133 N -1.85 0.97 -2.67 -0.72 0.00 -1.23 -4.23 117.38 107.64 1iou n GLN 133 Ca 0.01 -0.80 -0.10 0.00 -0.00 0.00 0.00 57.00 56.11 1iou n GLN 133 Cb 0.10 -2.07 0.05 0.00 0.00 0.00 0.00 30.24 28.32 1iou n GLN 133 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1iou n ASP 134 N 4.07 -5.13 0.01 1.69 2.03 -1.26 -4.91 116.55 113.05 1iou n ASP 134 Ca 0.21 -0.47 -0.20 0.00 0.52 0.00 0.00 54.79 54.85 1iou n ASP 134 Cb 0.13 -3.67 -0.14 0.00 -0.72 0.00 0.00 41.12 36.73 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iou h PRO 135 N -0.71 0.22 0.00 -0.67 0.13 -1.72 -3.43 132.00 125.82 1iou h PRO 135 Ca -0.40 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1iou h PRO 135 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1iou h PRO 135 CO 0.29 1.18 -0.06 0.43 -0.23 0.00 0.00 178.00 179.61 1iou n SER 136 N -4.16 0.00 -3.92 1.44 7.64 -1.26 -5.02 113.62 108.34 1iou n SER 136 Ca -0.18 -1.12 -0.27 0.00 1.01 0.00 0.00 58.87 58.32 1iou n SER 136 Cb 0.79 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.95 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 -2.89 -0.53 1.43 6.02 -1.26 -4.73 117.38 115.42 1iou n GLN 137 Ca 0.00 0.40 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1iou n GLN 137 Cb 0.52 -4.40 -0.07 0.00 1.02 0.00 0.00 30.24 27.32 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iou n ALA 138 N -4.39 3.78 0.00 -1.58 0.00 -1.26 -2.61 120.51 114.44 1iou n ALA 138 Ca -0.28 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1iou n ALA 138 Cb 0.67 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.11 0.00 0.00 0.00 -0.08 -1.26 -4.92 116.55 113.39 1iou n ASP 139 Ca 0.25 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1iou n ASP 139 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32