#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 0.40 0.86 3.17 0.52 -1.26 -3.64 118.95 119.00 1iou s ARG 2 Ca 0.00 0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.57 1iou s ARG 2 Cb 0.00 0.23 0.11 0.00 0.52 0.00 0.00 34.95 35.81 1iou s ARG 2 CO 0.00 -0.66 1.12 -1.50 0.02 0.00 0.00 175.30 174.27 1iou s ILE 3 N 2.89 2.62 0.03 1.52 2.07 -1.26 -3.52 121.20 125.56 1iou s ILE 3 Ca 0.16 0.20 -0.00 0.00 -1.41 0.00 0.00 60.65 59.60 1iou s ILE 3 Cb -0.08 -2.44 -0.00 0.00 0.13 0.00 0.00 42.46 40.06 1iou s ILE 3 CO -0.23 -0.26 -0.00 -1.22 -1.91 0.00 0.00 174.94 171.32 1iou n TYR 4 N -3.94 0.00 -4.28 3.50 4.01 -0.82 -4.71 117.16 110.91 1iou n TYR 4 Ca 0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 1iou n TYR 4 Cb 0.53 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.35 2.66 0.21 -0.72 6.14 0.19 0.13 117.35 124.61 1iou s TYR 5 Ca -0.00 -0.21 -0.17 0.00 0.64 0.00 0.00 57.07 57.33 1iou s TYR 5 Cb 0.00 -1.29 0.02 0.00 0.42 0.00 0.00 41.96 41.12 1iou s TYR 5 CO 0.00 0.53 0.53 0.42 0.64 0.00 0.00 175.55 177.66 1iou s ILE 6 N -1.77 0.02 -5.00 3.14 1.01 0.81 0.96 121.20 120.36 1iou s ILE 6 Ca 0.26 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1iou s ILE 6 Cb -0.09 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1iou s ILE 6 CO 0.16 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1iou n GLY 7 N -0.36 -0.10 3.31 6.18 0.00 0.10 -0.32 105.19 114.00 1iou n GLY 7 Ca -0.08 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.87 1.23 -0.21 1.61 1.01 0.00 -1.08 120.40 120.09 1iou s VAL 8 Ca 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 61.98 59.83 1iou s VAL 8 Cb 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.37 1iou s VAL 8 CO 0.00 -0.54 0.44 -0.36 0.00 0.00 0.00 175.10 174.65 1iou s PHE 9 N -3.29 -0.83 -0.08 5.22 0.40 0.20 -1.45 117.98 118.15 1iou s PHE 9 Ca 0.23 1.59 -0.30 0.00 -0.60 0.00 0.00 56.93 57.85 1iou s PHE 9 Cb 0.03 0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.90 1iou s PHE 9 CO 0.05 -0.49 1.03 0.50 0.70 0.00 0.00 175.22 177.02 1iou s ARG 10 N 2.49 4.44 -0.57 0.44 3.00 -0.70 -2.33 118.95 125.71 1iou s ARG 10 Ca -0.03 1.44 -0.26 0.00 -1.00 0.00 0.00 55.73 55.88 1iou s ARG 10 Cb -0.11 -3.53 -0.09 0.00 0.00 0.00 0.00 34.95 31.22 1iou s ARG 10 CO -0.13 -0.29 2.43 0.43 0.00 0.00 0.00 175.30 177.74 1iou n SER 11 N 4.82 2.08 0.00 -2.12 7.64 -1.26 0.06 113.62 124.84 1iou n SER 11 Ca 0.09 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1iou n SER 11 Cb 0.49 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 6.16 0.90 0.00 0.23 0.00 -1.08 -4.89 105.19 106.50 1iou n GLY 12 Ca 0.41 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.28 -0.02 0.00 -1.26 -4.79 105.19 104.74 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 1.05 0.00 0.00 0.00 173.32 174.37 1iou h GLU 14 N 0.00 0.00 0.00 1.61 4.11 -1.99 -3.44 114.58 114.87 1iou h GLU 14 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1iou h GLU 14 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iou h GLU 14 CO 0.00 0.03 -0.08 0.36 0.07 0.00 0.00 179.01 179.39 1iou n LYS 15 N -4.03 0.39 -3.93 1.06 0.00 -1.26 -4.99 118.16 105.40 1iou n LYS 15 Ca -0.03 -0.55 -0.28 0.00 -0.00 0.00 0.00 58.31 57.45 1iou n LYS 15 Cb 0.11 0.39 -0.03 0.00 -0.00 0.00 0.00 35.03 35.50 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 -2.20 3.98 0.00 0.58 0.00 -1.21 -2.64 121.76 120.27 1iou s ALA 16 Ca 0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1iou s ALA 16 Cb 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 1iou s ALA 16 CO 0.04 0.64 0.48 -1.17 0.00 0.00 0.00 175.76 175.75 1iou s LEU 17 N -2.96 4.45 -0.89 0.00 0.20 0.11 -4.80 118.68 114.79 1iou s LEU 17 Ca 0.35 1.04 -0.24 0.00 0.69 0.00 0.00 54.13 55.96 1iou s LEU 17 Cb -0.12 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 1iou s LEU 17 CO 0.28 0.24 1.79 -1.61 -0.29 0.00 0.00 176.35 176.77 1iou s GLU 18 N -0.73 2.83 0.00 1.98 2.02 -1.26 -1.72 118.70 121.82 1iou s GLU 18 Ca 0.26 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1iou s GLU 18 Cb -0.17 -5.02 0.00 0.00 0.10 0.00 0.00 34.13 29.03 1iou s GLU 18 CO 0.15 -2.98 0.07 1.28 0.02 0.00 0.00 175.26 173.79 1iou n LEU 19 N 12.47 1.19 -4.62 1.80 4.32 -0.55 -4.35 117.00 127.25 1iou n LEU 19 Ca 0.35 0.07 -0.34 0.00 -0.02 0.00 0.00 56.01 56.06 1iou n LEU 19 Cb 0.49 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.18 1iou n LEU 19 CO 0.63 0.00 -0.34 -0.55 -1.22 0.00 0.00 177.39 175.91 1iou s SER 20 N -1.25 5.00 -0.19 -1.43 0.15 -0.53 -2.60 113.70 112.86 1iou s SER 20 Ca 0.00 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1iou s SER 20 Cb 0.00 -1.43 0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1iou s SER 20 CO 0.00 0.34 -0.00 -1.61 1.20 0.00 0.00 173.24 173.17 1iou s GLU 21 N -0.66 1.01 -0.04 5.44 2.02 -1.26 -0.82 118.70 124.39 1iou s GLU 21 Ca 0.10 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1iou s GLU 21 Cb -0.12 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1iou s GLU 21 CO 0.02 -0.56 -0.13 0.54 0.02 0.00 0.00 175.26 175.15 1iou s VAL 22 N 1.73 1.16 0.30 2.63 0.11 0.56 -4.99 120.40 121.90 1iou s VAL 22 Ca -0.01 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1iou s VAL 22 Cb -0.17 -1.02 -0.06 0.00 -1.53 0.00 0.00 36.38 33.60 1iou s VAL 22 CO -0.07 0.35 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.45 1iou s LYS 23 N 0.25 1.62 -0.22 1.54 1.02 -1.26 -0.14 119.74 122.56 1iou s LYS 23 Ca -0.06 -1.83 -0.03 0.00 0.02 0.00 0.00 55.97 54.06 1iou s LYS 23 Cb -0.12 -1.27 0.07 0.00 -0.52 0.00 0.00 37.83 36.00 1iou s LYS 23 CO 0.02 0.04 0.08 0.34 -0.92 0.00 0.00 175.35 174.91 1iou s ASP 24 N -3.49 2.98 -0.77 2.83 -1.08 0.34 -4.92 116.67 112.57 1iou s ASP 24 Ca 0.31 -0.94 0.03 0.00 -0.52 0.00 0.00 52.55 51.43 1iou s ASP 24 Cb 0.04 -0.48 0.23 0.00 -1.46 0.00 0.00 42.92 41.25 1iou s ASP 24 CO 0.13 -0.36 0.78 0.18 0.52 0.00 0.00 175.17 176.43 1iou n LEU 25 N 5.13 4.01 -0.04 -1.34 4.77 -1.26 -4.72 117.00 123.55 1iou n LEU 25 Ca -0.07 -5.29 -0.02 0.00 -0.03 0.00 0.00 56.01 50.60 1iou n LEU 25 Cb 0.46 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1iou n LEU 25 CO 0.10 1.83 -0.79 -0.24 -1.33 0.00 0.00 177.39 176.97 1iou n SER 26 N 1.50 2.36 0.01 -1.43 2.88 -1.26 -4.61 113.62 113.07 1iou n SER 26 Ca 0.25 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.84 1iou n SER 26 Cb 0.38 0.98 -0.10 0.00 -0.75 0.00 0.00 64.21 64.72 1iou n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iou n GLN 27 N -2.25 0.64 0.00 -1.46 1.13 -1.26 -4.95 117.38 109.22 1iou n GLN 27 Ca -0.13 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1iou n GLN 27 Cb 0.69 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.36 1iou n GLN 27 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1iou n PHE 28 N -2.62 -1.11 -4.37 1.08 3.72 -1.26 -5.10 117.46 107.80 1iou n PHE 28 Ca -0.09 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.12 1iou n PHE 28 Cb 0.74 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.18 1iou n PHE 28 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iou s GLY 29 N -1.44 1.71 0.00 1.37 0.00 -1.26 -4.92 107.32 102.79 1iou s GLY 29 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1iou s GLY 29 CO 0.00 -1.72 0.86 1.97 0.00 0.00 0.00 173.10 174.21 1iou n PHE 30 N -0.50 0.00 0.00 1.90 1.16 -1.26 -0.56 117.46 118.20 1iou n PHE 30 Ca -0.04 -0.43 0.00 0.00 -1.87 0.00 0.00 57.45 55.11 1iou n PHE 30 Cb 0.65 -0.33 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 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 1.54 -0.86 0.19 2.97 -1.74 -1.26 -4.90 117.46 113.41 1iou n PHE 31 Ca 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.01 1iou n PHE 31 Cb 0.24 0.21 0.01 0.00 1.52 0.00 0.00 39.48 41.47 1iou n PHE 31 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1iou n GLU 32 N -1.93 0.54 -0.21 3.97 0.28 -1.09 -4.23 120.64 117.98 1iou n GLU 32 Ca 0.00 0.09 -0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1iou n GLU 32 Cb 0.00 -1.77 0.07 0.00 1.43 0.00 0.00 31.44 31.17 1iou n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1iou h ARG 33 N 0.00 0.01 -0.05 3.44 3.08 -1.18 0.30 114.38 119.99 1iou h ARG 33 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iou h ARG 33 Cb 0.95 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1iou h ARG 33 CO 0.00 0.01 0.02 1.03 -1.07 0.00 0.00 179.97 179.96 1iou h SER 34 N 0.01 0.03 -0.54 7.04 0.87 -1.82 -0.09 113.55 119.05 1iou h SER 34 Ca 0.31 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.93 1iou h SER 34 Cb 0.47 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 1iou h SER 34 CO -0.64 0.02 0.26 0.28 -0.53 0.00 0.00 176.83 176.22 1iou h SER 35 N 0.04 0.35 -0.73 6.23 0.02 -1.32 -1.78 113.55 116.36 1iou h SER 35 Ca 0.02 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1iou h SER 35 Cb 0.01 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1iou h SER 35 CO -0.02 0.23 0.32 0.58 -1.14 0.00 0.00 176.83 176.80 1iou h VAL 36 N 0.49 1.25 -0.54 2.27 2.07 -0.18 -2.08 116.25 119.53 1iou h VAL 36 Ca 0.25 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 67.13 1iou h VAL 36 Cb 0.19 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1iou h VAL 36 CO -0.19 0.30 0.07 1.23 0.02 0.00 0.00 177.57 179.00 1iou h GLY 37 N 1.04 0.64 1.51 2.17 0.00 -0.15 0.53 103.07 108.81 1iou h GLY 37 Ca 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1iou h GLY 37 CO -0.03 -0.11 0.14 -1.61 0.00 0.00 0.00 176.54 174.94 1iou h GLN 38 N 0.20 0.63 -0.62 4.80 5.75 -1.12 -1.90 115.11 122.85 1iou h GLN 38 Ca 0.28 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1iou h GLN 38 Cb 0.41 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1iou h GLN 38 CO -0.39 0.54 0.01 0.35 -2.65 0.00 0.00 178.83 176.69 1iou h PHE 39 N 0.62 1.19 0.95 3.99 3.04 0.19 -1.43 116.94 125.48 1iou h PHE 39 Ca 0.15 -0.20 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1iou h PHE 39 Cb 0.17 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 38.38 1iou h PHE 39 CO 0.01 1.04 -0.46 0.52 -2.02 0.00 0.00 178.31 177.40 1iou h MET 40 N 1.00 -1.23 0.60 1.11 2.86 0.65 -2.31 114.93 117.61 1iou h MET 40 Ca 0.18 0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1iou h MET 40 Cb 0.56 0.28 0.01 0.00 0.06 0.00 0.00 31.60 32.50 1iou h MET 40 CO 0.03 -0.82 -0.29 1.15 1.06 0.00 0.00 176.91 178.04 1iou h THR 41 N -1.29 0.39 -0.96 2.22 2.02 -1.48 -0.10 112.91 113.71 1iou h THR 41 Ca -0.13 -0.10 0.30 0.00 0.77 0.00 0.00 66.41 67.25 1iou h THR 41 Cb 0.98 0.42 -0.16 0.00 -1.74 0.00 0.00 68.15 67.65 1iou h THR 41 CO 0.21 0.01 0.28 0.15 0.37 0.00 0.00 175.52 176.55 1iou h PHE 42 N -0.88 0.40 -0.07 3.16 3.04 -1.33 1.75 116.94 123.01 1iou h PHE 42 Ca -0.08 0.05 -0.16 0.00 3.98 0.00 0.00 57.97 61.76 1iou h PHE 42 Cb 0.65 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1iou h PHE 42 CO -0.02 -0.34 -0.67 0.35 -2.02 0.00 0.00 178.31 175.61 1iou h PHE 43 N 0.11 0.39 -0.12 0.41 3.57 -1.20 -2.55 116.94 117.55 1iou h PHE 43 Ca 0.66 -0.16 -0.16 0.00 3.53 0.00 0.00 57.97 61.84 1iou h PHE 43 Cb 1.48 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1iou h PHE 43 CO -0.25 0.88 -0.59 0.00 -2.23 0.00 0.00 178.31 176.11 1iou h ALA 44 N 1.08 0.75 -0.28 2.41 0.00 0.41 -2.48 119.26 121.15 1iou h ALA 44 Ca -0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 1iou h ALA 44 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1iou h ALA 44 CO 0.11 0.71 -0.55 1.05 0.00 0.00 0.00 179.25 180.57 1iou h GLU 45 N 0.30 0.86 0.36 0.00 4.11 0.86 -2.78 114.58 118.29 1iou h GLU 45 Ca -0.00 -0.55 -0.01 0.00 0.07 0.00 0.00 59.36 58.86 1iou h GLU 45 Cb 1.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1iou h GLU 45 CO 0.10 1.19 -0.20 1.15 0.07 0.00 0.00 179.01 181.32 1iou h THR 46 N 0.64 0.58 -0.21 -1.06 2.02 -1.42 -0.55 112.91 112.92 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 1.16 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 1iou h THR 46 CO 0.12 0.00 -0.43 -0.37 0.37 0.00 0.00 175.52 175.21 1iou h VAL 47 N -0.53 0.00 -0.69 3.16 -1.51 -1.45 1.14 116.25 116.37 1iou h VAL 47 Ca -0.04 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.63 1iou h VAL 47 Cb 0.43 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.56 1iou h VAL 47 CO 0.05 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 176.89 1iou h ALA 48 N -0.45 2.63 -0.18 5.19 0.00 -1.44 1.29 119.26 126.30 1iou h ALA 48 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1iou h ALA 48 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1iou h ALA 48 CO -0.40 -0.83 -0.54 1.03 0.00 0.00 0.00 179.25 178.52 1iou h SER 49 N 0.02 0.60 0.74 0.00 0.87 0.17 -2.85 113.55 113.09 1iou h SER 49 Ca 0.33 -0.31 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 1iou h SER 49 Cb 1.29 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1iou h SER 49 CO -0.01 1.02 -0.76 0.03 -0.53 0.00 0.00 176.83 176.58 1iou h ARG 50 N 0.42 0.01 -6.57 2.24 3.08 0.94 -3.41 114.38 111.08 1iou h ARG 50 Ca 0.01 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 1iou h ARG 50 Cb 1.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.06 1iou h ARG 50 CO 0.10 0.77 0.96 0.99 -1.07 0.00 0.00 179.97 181.72 1iou s THR 51 N -3.28 4.04 -0.21 2.04 2.01 0.30 -4.89 115.64 115.65 1iou s THR 51 Ca -0.01 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 62.91 1iou s THR 51 Cb 0.12 -4.71 0.15 0.00 0.01 0.00 0.00 72.50 68.07 1iou s THR 51 CO 0.79 -1.31 1.94 0.61 -0.69 0.00 0.00 174.62 175.96 1iou n GLY 52 N 5.04 3.52 1.45 4.40 0.00 -1.26 -4.85 105.19 113.49 1iou n GLY 52 Ca 0.09 -0.71 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 0.64 -1.87 -0.60 4.61 0.00 -1.26 -4.79 120.51 117.24 1iou n ALA 53 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1iou n ALA 53 Cb 0.59 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.47 1.36 3.36 0.00 0.00 -1.21 -4.95 105.19 102.28 1iou n GLY 54 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 1.67 0.18 1.61 -1.05 -1.25 -4.99 118.70 114.70 1iou s GLU 55 Ca 0.00 -1.96 0.02 0.00 -0.15 0.00 0.00 54.97 52.88 1iou s GLU 55 Cb 0.00 -0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.51 1iou s GLU 55 CO 0.00 -0.48 -0.01 -0.98 0.95 0.00 0.00 175.26 174.74 1iou s ARG 56 N -3.76 1.15 0.13 -4.83 3.03 -1.26 -1.71 118.95 111.70 1iou s ARG 56 Ca 0.34 -1.56 -0.02 0.00 2.03 0.00 0.00 55.73 56.53 1iou s ARG 56 Cb 0.04 -0.38 -0.04 0.00 -1.03 0.00 0.00 34.95 33.54 1iou s ARG 56 CO 0.18 -0.10 0.07 -0.65 -1.13 0.00 0.00 175.30 173.67 1iou s GLN 57 N -3.88 0.93 -0.28 3.89 -1.52 -0.47 -4.93 119.66 113.40 1iou s GLN 57 Ca 0.24 -1.41 0.01 0.00 -1.95 0.00 0.00 55.36 52.25 1iou s GLN 57 Cb 0.06 0.25 0.15 0.00 -0.22 0.00 0.00 33.01 33.25 1iou s GLN 57 CO 0.05 -0.27 0.39 -1.54 -0.25 0.00 0.00 175.29 173.67 1iou s SER 58 N -3.04 0.54 -0.52 5.90 1.04 -1.25 0.15 113.70 116.52 1iou s SER 58 Ca 0.23 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.14 1iou s SER 58 Cb 0.07 1.03 0.06 0.00 0.10 0.00 0.00 66.02 67.28 1iou s SER 58 CO 0.01 -0.35 0.67 0.27 0.98 0.00 0.00 173.24 174.82 1iou s ILE 59 N 2.52 4.81 -0.43 -1.02 -4.36 -0.90 -4.78 121.20 117.03 1iou s ILE 59 Ca 0.10 -0.44 -0.16 0.00 -0.26 0.00 0.00 60.65 59.90 1iou s ILE 59 Cb -0.13 -4.34 0.04 0.00 1.25 0.00 0.00 42.46 39.27 1iou s ILE 59 CO -0.28 -0.87 0.37 -0.70 0.24 0.00 0.00 174.94 173.70 1iou s GLU 60 N 2.80 3.00 -0.27 0.37 -6.30 -1.26 0.31 118.70 117.36 1iou s GLU 60 Ca 0.17 -1.05 -0.02 0.00 -2.50 0.00 0.00 54.97 51.57 1iou s GLU 60 Cb -0.19 -4.02 0.09 0.00 0.00 0.00 0.00 34.13 30.01 1iou s GLU 60 CO 0.12 -0.87 0.08 -2.00 0.02 0.00 0.00 175.26 172.62 1iou s GLU 61 N 1.81 0.61 -0.38 4.30 2.12 -0.99 -4.92 118.70 121.24 1iou s GLU 61 Ca 0.07 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.50 1iou s GLU 61 Cb -0.20 -1.88 0.01 0.00 0.26 0.00 0.00 34.13 32.33 1iou s GLU 61 CO 0.10 -0.89 0.38 0.41 -0.54 0.00 0.00 175.26 174.73 1iou n GLY 62 N 4.98 -2.23 2.36 -1.50 0.00 -1.26 -3.24 105.19 104.29 1iou n GLY 62 Ca -0.05 0.96 -0.07 0.00 0.00 0.00 0.00 46.02 46.86 1iou n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iou n ASN 63 N 0.09 -2.52 -4.35 1.61 4.13 -1.26 -4.90 115.26 108.05 1iou n ASN 63 Ca 0.07 0.31 -0.18 0.00 1.68 0.00 0.00 54.58 56.46 1iou n ASN 63 Cb 0.32 -2.25 -0.10 0.00 -1.54 0.00 0.00 39.78 36.20 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1iou s TYR 64 N -2.25 1.65 -0.08 3.10 1.51 -1.20 -3.32 117.35 116.75 1iou s TYR 64 Ca 0.00 -0.90 -0.12 0.00 -1.01 0.00 0.00 57.07 55.03 1iou s TYR 64 Cb 0.00 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1iou s TYR 64 CO 0.00 -0.00 0.31 0.42 -1.11 0.00 0.00 175.55 175.17 1iou s ILE 65 N -3.37 0.02 -0.50 2.71 -1.09 0.53 -2.35 121.20 117.16 1iou s ILE 65 Ca 0.30 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 1iou s ILE 65 Cb 0.06 -0.51 0.20 0.00 -1.58 0.00 0.00 42.46 40.63 1iou s ILE 65 CO 0.10 -0.11 0.47 0.61 -1.23 0.00 0.00 174.94 174.78 1iou n GLY 66 N 2.28 3.06 3.52 6.18 0.00 0.15 0.13 105.19 120.51 1iou n GLY 66 Ca -0.16 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.47 -3.72 1.61 8.25 0.59 -2.13 115.22 121.39 1iou n HIS 67 Ca 0.26 0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.89 1iou n HIS 67 Cb 0.46 -1.88 -0.10 0.00 1.12 0.00 0.00 29.99 29.59 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 -2.49 0.00 -0.21 1.59 1.01 0.40 -1.25 120.40 119.45 1iou s VAL 68 Ca 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 1iou s VAL 68 Cb -0.22 -0.62 0.11 0.00 0.00 0.00 0.00 36.38 35.65 1iou s VAL 68 CO 0.63 -0.02 0.30 -0.31 0.00 0.00 0.00 175.10 175.71 1iou s TYR 69 N 0.11 -0.54 0.04 5.22 2.02 -0.87 -1.36 117.35 121.96 1iou s TYR 69 Ca -0.01 0.60 0.05 0.00 -0.37 0.00 0.00 57.07 57.34 1iou s TYR 69 Cb -0.03 -0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 1iou s TYR 69 CO 0.01 -0.62 -0.08 0.00 -1.57 0.00 0.00 175.55 173.29 1iou s ALA 70 N 2.44 2.98 0.47 3.71 0.00 -0.70 -2.42 121.76 128.24 1iou s ALA 70 Ca 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1iou s ALA 70 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1iou s ALA 70 CO -0.13 0.62 0.03 -2.13 0.00 0.00 0.00 175.76 174.15 1iou n ARG 71 N 1.30 0.87 -0.93 0.00 0.63 -1.26 -3.33 116.66 113.93 1iou n ARG 71 Ca -0.15 -3.36 -0.19 0.00 -0.92 0.00 0.00 57.85 53.23 1iou n ARG 71 Cb 0.52 0.86 0.06 0.00 0.45 0.00 0.00 32.46 34.36 1iou n ARG 71 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1iou n SER 72 N -1.32 5.94 -0.12 6.15 2.88 -1.26 -3.80 113.62 122.09 1iou n SER 72 Ca -0.18 -3.17 -0.23 0.00 -1.33 0.00 0.00 58.87 53.96 1iou n SER 72 Cb 0.58 -0.96 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1iou n GLU 73 N -0.08 0.56 0.00 -1.46 -0.58 -1.26 -5.04 120.64 112.78 1iou n GLU 73 Ca 0.37 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1iou n GLU 73 Cb 0.75 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iou n GLY 74 N 1.35 0.57 2.68 0.62 0.00 -1.26 -4.82 105.19 104.34 1iou n GLY 74 Ca -0.40 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 0.19 0.65 -0.61 -0.00 -1.26 -4.05 121.20 116.12 1iou s ILE 75 Ca 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 60.65 60.40 1iou s ILE 75 Cb 0.00 -0.67 0.03 0.00 -0.00 0.00 0.00 42.46 41.82 1iou s ILE 75 CO 0.00 -0.11 0.98 0.00 -0.00 0.00 0.00 174.94 175.80 1iou s GLY 77 N -4.39 1.18 0.06 0.00 0.00 -1.02 0.62 107.32 103.77 1iou s GLY 77 Ca 0.57 -1.37 0.07 0.00 0.00 0.00 0.00 44.72 43.99 1iou s GLY 77 CO 0.46 -1.43 -0.20 0.14 0.00 0.00 0.00 173.10 172.07 1iou s VAL 78 N -2.17 1.63 -0.09 1.40 1.01 -0.24 -2.06 120.40 119.89 1iou s VAL 78 Ca 0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1iou s VAL 78 Cb -0.05 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1iou s VAL 78 CO 0.04 0.11 -0.00 -0.76 0.00 0.00 0.00 175.10 174.48 1iou s LEU 79 N -1.40 0.69 -0.23 3.92 1.02 -0.38 -0.72 118.68 121.58 1iou s LEU 79 Ca 0.07 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.01 1iou s LEU 79 Cb -0.09 -0.49 -0.00 0.00 0.02 0.00 0.00 46.19 45.62 1iou s LEU 79 CO 0.02 -0.20 -0.02 0.27 0.02 0.00 0.00 176.35 176.45 1iou s ILE 80 N 1.94 3.46 0.09 -0.59 -0.00 0.27 0.22 121.20 126.59 1iou s ILE 80 Ca 0.05 -0.55 0.01 0.00 -0.00 0.00 0.00 60.65 60.16 1iou s ILE 80 Cb -0.13 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.46 39.70 1iou s ILE 80 CO -0.06 0.35 0.04 1.07 -0.00 0.00 0.00 174.94 176.34 1iou n THR 81 N 4.80 0.00 -2.05 8.37 5.66 0.34 -0.64 114.28 130.77 1iou n THR 81 Ca -0.17 -0.55 -0.28 0.00 -3.05 0.00 0.00 64.05 60.00 1iou n THR 81 Cb 0.50 0.21 0.12 0.00 -1.55 0.00 0.00 70.33 69.61 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 -1.57 4.09 0.63 1.09 2.15 -1.23 0.20 116.67 122.04 1iou s ASP 82 Ca 0.06 0.42 0.42 0.00 0.43 0.00 0.00 52.55 53.87 1iou s ASP 82 Cb 0.00 -0.79 2.16 0.00 -0.30 0.00 0.00 42.92 43.99 1iou s ASP 82 CO 0.04 -2.11 2.27 0.50 -0.17 0.00 0.00 175.17 175.70 1iou h LYS 83 N -1.10 0.00 -1.36 4.34 3.11 -1.73 -2.52 116.57 117.31 1iou h LYS 83 Ca -0.44 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.04 1iou h LYS 83 Cb 1.29 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 32.36 1iou h LYS 83 CO 0.53 0.00 0.46 1.04 -2.81 0.00 0.00 179.45 178.67 1iou n GLN 84 N -3.06 1.89 -3.73 1.90 3.00 -1.26 -4.76 117.38 111.35 1iou n GLN 84 Ca -0.02 -1.79 -0.28 0.00 -0.01 0.00 0.00 57.00 54.90 1iou n GLN 84 Cb 0.13 -1.70 -0.16 0.00 0.00 0.00 0.00 30.24 28.50 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1iou s TYR 85 N -2.06 1.12 0.62 1.08 5.04 -0.95 -4.53 117.35 117.67 1iou s TYR 85 Ca 0.35 -0.99 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 1iou s TYR 85 Cb 0.28 -1.12 -0.03 0.00 0.35 0.00 0.00 41.96 41.43 1iou s TYR 85 CO 0.01 -0.66 1.03 -1.25 -1.34 0.00 0.00 175.55 173.34 1iou s PRO 86 N 1.82 3.47 0.21 4.97 0.04 -1.26 -4.94 135.00 139.30 1iou s PRO 86 Ca 0.01 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1iou s PRO 86 Cb -0.17 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.46 1iou s PRO 86 CO -0.11 -0.68 1.63 0.28 0.04 0.00 0.00 177.00 178.16 1iou h VAL 87 N -0.12 1.27 -0.92 -0.36 2.07 -1.99 -3.26 116.25 112.94 1iou h VAL 87 Ca -0.45 -1.29 0.08 0.00 0.82 0.00 0.00 66.70 65.86 1iou h VAL 87 Cb 1.20 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 1iou h VAL 87 CO 0.60 0.44 -0.54 -2.11 0.02 0.00 0.00 177.57 175.98 1iou n ARG 88 N -4.13 -0.40 0.21 1.57 0.00 -1.26 0.82 116.66 113.47 1iou n ARG 88 Ca 0.01 1.41 0.06 0.00 -0.00 0.00 0.00 57.85 59.32 1iou n ARG 88 Cb 0.41 -2.07 0.46 0.00 -0.00 0.00 0.00 32.46 31.26 1iou n ARG 88 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1iou h PRO 89 N 0.00 0.00 -0.01 2.89 0.13 -1.99 -1.34 132.00 131.69 1iou h PRO 89 Ca 0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1iou h PRO 89 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1iou h PRO 89 CO -0.86 0.29 -0.41 0.00 -0.23 0.00 0.00 178.00 176.80 1iou h ALA 90 N 1.71 1.32 -0.26 -0.56 0.00 0.06 0.34 119.26 121.87 1iou h ALA 90 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1iou h ALA 90 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1iou h ALA 90 CO 0.04 0.51 -0.26 -0.92 0.00 0.00 0.00 179.25 178.62 1iou h TYR 91 N 0.01 0.76 -0.44 0.00 3.20 0.15 0.28 116.97 120.93 1iou h TYR 91 Ca -0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 1iou h TYR 91 Cb 0.72 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1iou h TYR 91 CO 0.00 0.95 0.21 1.15 -1.64 0.00 0.00 178.16 178.83 1iou h THR 92 N 0.35 1.18 0.42 1.81 2.02 -0.75 0.25 112.91 118.20 1iou h THR 92 Ca 0.04 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1iou h THR 92 Cb 0.82 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1iou h THR 92 CO 0.06 0.20 -0.20 0.25 0.37 0.00 0.00 175.52 176.20 1iou h LEU 93 N 0.57 -0.48 -0.00 2.58 5.85 -0.23 -1.49 115.31 122.11 1iou h LEU 93 Ca 0.15 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1iou h LEU 93 Cb 0.13 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1iou h LEU 93 CO -0.02 -0.24 0.00 -0.11 -0.34 0.00 0.00 178.44 177.74 1iou n LEU 94 N -5.28 0.00 0.05 2.25 -0.00 0.96 -2.03 117.00 112.96 1iou n LEU 94 Ca -0.11 0.50 -0.03 0.00 -0.00 0.00 0.00 56.01 56.37 1iou n LEU 94 Cb 0.27 -0.50 -0.02 0.00 -0.00 0.00 0.00 43.42 43.18 1iou n LEU 94 CO 0.34 -0.38 0.10 0.78 -0.00 0.00 0.00 177.39 178.23 1iou h ASN 95 N 0.00 -0.18 -0.47 1.96 2.35 0.54 -2.61 115.58 117.17 1iou h ASN 95 Ca 0.00 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1iou h ASN 95 Cb 0.12 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1iou h ASN 95 CO 0.00 0.22 0.25 0.50 -1.65 0.00 0.00 177.43 176.75 1iou h LYS 96 N -0.91 0.49 -0.23 0.81 1.63 -1.23 -2.47 116.57 114.66 1iou h LYS 96 Ca -0.02 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1iou h LYS 96 Cb 0.16 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 1iou h LYS 96 CO 0.04 0.33 -0.11 0.97 -3.45 0.00 0.00 179.45 177.22 1iou h ILE 97 N 0.51 0.65 -0.19 2.00 2.10 -1.55 0.47 117.51 121.49 1iou h ILE 97 Ca 0.20 0.00 0.05 0.00 1.08 0.00 0.00 64.86 66.20 1iou h ILE 97 Cb 0.08 0.65 -0.07 0.00 -1.09 0.00 0.00 36.82 36.39 1iou h ILE 97 CO -0.12 0.00 -0.27 0.25 -1.08 0.00 0.00 178.15 176.93 1iou h LEU 98 N -0.09 -0.85 -1.87 2.19 7.12 -1.09 1.29 115.31 122.00 1iou h LEU 98 Ca 0.12 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 1iou h LEU 98 Cb 0.27 0.38 -0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1iou h LEU 98 CO -0.28 -0.31 -0.12 0.44 -0.13 0.00 0.00 178.44 178.04 1iou h ASP 99 N -0.31 0.00 0.26 1.25 5.19 -1.01 -1.05 116.42 120.76 1iou h ASP 99 Ca 0.12 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.34 1iou h ASP 99 Cb 0.49 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1iou h ASP 99 CO -0.37 0.12 -0.77 -0.08 -3.12 0.00 0.00 179.24 175.03 1iou h GLU 100 N 0.00 0.41 -0.13 3.56 4.22 0.34 -2.14 114.58 120.84 1iou h GLU 100 Ca -0.00 -0.36 -0.09 0.00 0.08 0.00 0.00 59.36 59.00 1iou h GLU 100 Cb 0.25 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1iou h GLU 100 CO 0.02 1.00 -0.30 -0.92 -2.18 0.00 0.00 179.01 176.63 1iou h TYR 101 N 0.27 0.28 0.01 0.92 5.03 0.27 -2.61 116.97 121.16 1iou h TYR 101 Ca -0.04 -0.06 -0.21 0.00 2.58 0.00 0.00 58.73 61.00 1iou h TYR 101 Cb 1.35 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 1iou h TYR 101 CO 0.05 0.54 -0.92 -0.07 -1.32 0.00 0.00 178.16 176.43 1iou h LEU 102 N 0.23 0.30 -0.04 2.82 3.38 -1.29 -3.32 115.31 117.39 1iou h LEU 102 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1iou h LEU 102 Cb 0.65 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1iou h LEU 102 CO 0.05 1.07 0.00 0.58 0.09 0.00 0.00 178.44 180.23 1iou h VAL 103 N 0.12 1.25 0.00 1.22 2.07 -1.11 -2.66 116.25 117.14 1iou h VAL 103 Ca -0.05 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1iou h VAL 103 Cb 1.56 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1iou h VAL 103 CO 0.14 0.20 0.62 0.00 0.02 0.00 0.00 177.57 178.55 1iou h ALA 104 N 0.71 1.58 -1.08 1.67 0.00 -1.57 -3.39 119.26 117.18 1iou h ALA 104 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1iou h ALA 104 Cb 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.80 1iou h ALA 104 CO 0.00 -0.58 0.65 -3.38 0.00 0.00 0.00 179.25 175.94 1iou s HIS 105 N -3.88 -0.18 0.49 0.00 0.00 -1.01 -5.11 115.29 105.60 1iou s HIS 105 Ca -0.02 0.35 -0.12 0.00 -3.00 0.00 0.00 55.06 52.28 1iou s HIS 105 Cb 0.04 0.11 -0.10 0.00 -4.00 0.00 0.00 32.58 28.63 1iou s HIS 105 CO 0.13 -0.09 -0.29 -2.30 -1.00 0.00 0.00 174.74 171.19 1iou n PRO 106 N 3.36 0.00 -0.20 -0.38 -0.02 -1.20 -4.55 135.00 132.01 1iou n PRO 106 Ca -0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.22 1iou n PRO 106 Cb 0.56 -0.67 -0.07 0.00 -0.02 0.00 0.00 33.50 33.30 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 -0.30 -0.15 0.00 -0.52 1.57 -1.96 -0.70 116.57 114.51 1iou h LYS 107 Ca -0.29 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1iou h LYS 107 Cb 0.93 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1iou h LYS 107 CO 0.23 -0.10 -0.04 1.49 -0.57 0.00 0.00 179.45 180.46 1iou h GLU 108 N -0.16 0.00 -0.97 3.15 4.81 -1.96 -2.06 114.58 117.39 1iou h GLU 108 Ca 0.08 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.54 1iou h GLU 108 Cb 0.38 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.64 1iou h GLU 108 CO -0.56 0.04 0.55 0.93 -0.73 0.00 0.00 179.01 179.23 1iou h GLU 109 N 0.00 0.57 0.03 1.92 4.39 -1.39 -2.20 114.58 117.90 1iou h GLU 109 Ca -0.00 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.30 1iou h GLU 109 Cb 0.08 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 1iou h GLU 109 CO 0.00 0.38 -2.22 -2.67 -1.16 0.00 0.00 179.01 173.34 1iou n TRP 110 N -4.89 0.47 -2.25 4.33 4.27 -1.07 -4.93 117.44 113.37 1iou n TRP 110 Ca 0.25 0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.98 1iou n TRP 110 Cb 0.67 -1.07 0.00 0.00 -1.36 0.00 0.00 31.31 29.55 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 -2.98 -0.61 -2.19 -1.67 0.00 -0.80 0.50 120.51 112.76 1iou n ALA 111 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1iou n ALA 111 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 0.56 -4.78 -4.74 0.00 9.92 -1.26 -4.95 116.55 111.31 1iou n ASP 112 Ca 0.00 0.10 -0.41 0.00 -0.53 0.00 0.00 54.79 53.94 1iou n ASP 112 Cb 0.00 -3.06 -0.03 0.00 -0.64 0.00 0.00 41.12 37.40 1iou n ASP 112 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1iou s VAL 113 N -2.43 2.76 -0.91 2.53 1.01 0.18 -4.90 120.40 118.64 1iou s VAL 113 Ca 0.05 0.62 0.15 0.00 0.00 0.00 0.00 61.98 62.80 1iou s VAL 113 Cb -0.02 -3.39 0.69 0.00 0.00 0.00 0.00 36.38 33.66 1iou s VAL 113 CO 0.36 0.09 1.58 1.07 0.00 0.00 0.00 175.10 178.19 1iou n THR 114 N 2.70 1.92 -3.15 3.92 5.66 -1.26 -4.73 114.28 119.34 1iou n THR 114 Ca 0.08 -1.13 0.06 0.00 -3.05 0.00 0.00 64.05 60.01 1iou n THR 114 Cb 0.40 -0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1iou n THR 114 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1iou s GLU 115 N -2.07 0.07 0.63 1.09 -1.05 -1.26 -5.10 118.70 111.01 1iou s GLU 115 Ca 0.47 0.07 -0.09 0.00 -0.15 0.00 0.00 54.97 55.27 1iou s GLU 115 Cb 0.32 0.03 0.14 0.00 -0.44 0.00 0.00 34.13 34.19 1iou s GLU 115 CO 0.20 -0.12 0.32 -2.37 0.95 0.00 0.00 175.26 174.24 1iou n THR 116 N 5.06 0.00 0.00 1.83 5.66 -1.26 -4.96 114.28 120.62 1iou n THR 116 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1iou n THR 116 Cb 0.58 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1iou n THR 116 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1iou n ASN 117 N -2.59 0.00 0.08 1.09 2.85 -1.26 -4.95 115.26 110.48 1iou n ASN 117 Ca 0.05 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.42 1iou n ASN 117 Cb 0.22 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.22 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 0.33 -0.79 1.20 1.82 -1.92 -3.24 116.42 113.81 1iou h ASP 118 Ca 0.00 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1iou h ASP 118 Cb 0.00 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 1iou h ASP 118 CO 0.00 1.08 0.48 0.00 -1.61 0.00 0.00 179.24 179.19 1iou h ALA 119 N 0.90 1.00 -0.17 -0.78 0.00 -1.93 -0.91 119.26 117.37 1iou h ALA 119 Ca -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1iou h ALA 119 Cb 1.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1iou h ALA 119 CO 0.14 0.47 0.25 1.25 0.00 0.00 0.00 179.25 181.36 1iou h LEU 120 N 1.08 0.00 -3.44 0.00 7.12 -1.52 0.80 115.31 119.35 1iou h LEU 120 Ca 0.28 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 58.02 1iou h LEU 120 Cb -0.04 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 39.92 1iou h LEU 120 CO -0.05 0.00 -0.19 1.17 -0.13 0.00 0.00 178.44 179.24 1iou n LYS 121 N -3.53 2.19 -2.43 1.25 4.81 -0.37 -4.49 118.16 115.57 1iou n LYS 121 Ca 0.01 -3.39 -0.39 0.00 -0.87 0.00 0.00 58.31 53.67 1iou n LYS 121 Cb 0.36 -1.92 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1iou n LYS 121 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1iou s MET 122 N -3.36 3.53 0.58 1.64 1.75 0.28 -4.78 119.30 118.93 1iou s MET 122 Ca 0.47 -1.65 0.31 0.00 -1.25 0.00 0.00 55.69 53.56 1iou s MET 122 Cb 0.41 -5.43 1.42 0.00 2.84 0.00 0.00 34.83 34.07 1iou s MET 122 CO -0.00 -2.72 1.79 0.87 -0.65 0.00 0.00 175.02 174.30 1iou h LYS 123 N 8.45 0.00 0.00 4.11 1.57 -1.89 -2.34 116.57 126.47 1iou h LYS 123 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1iou h LYS 123 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1iou h LYS 123 CO 1.39 0.00 0.00 0.94 -0.57 0.00 0.00 179.45 181.21 1iou n GLN 124 N -3.79 0.00 0.03 3.15 -0.06 -1.26 -0.35 117.38 115.09 1iou n GLN 124 Ca 0.15 0.39 0.19 0.00 -2.00 0.00 0.00 57.00 55.73 1iou n GLN 124 Cb 0.96 -1.33 0.68 0.00 -4.06 0.00 0.00 30.24 26.49 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1iou h LEU 125 N 0.00 0.01 0.53 1.69 8.10 -1.90 0.45 115.31 124.18 1iou h LEU 125 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1iou h LEU 125 Cb 0.00 -0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.22 1iou h LEU 125 CO 0.00 0.01 -0.26 0.44 -4.11 0.00 0.00 178.44 174.52 1iou h ASP 126 N 0.01 -0.60 0.17 0.17 3.32 -1.26 0.47 116.42 118.70 1iou h ASP 126 Ca 0.23 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1iou h ASP 126 Cb 0.89 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1iou h ASP 126 CO -0.00 -0.31 -0.16 0.74 -1.72 0.00 0.00 179.24 177.78 1iou h THR 127 N -0.90 1.09 -0.43 0.35 2.02 0.03 -0.36 112.91 114.73 1iou h THR 127 Ca -0.07 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 1iou h THR 127 Cb 0.61 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1iou h THR 127 CO 0.12 0.16 -0.26 1.88 0.37 0.00 0.00 175.52 177.79 1iou h TYR 128 N 0.00 1.05 0.00 3.16 0.05 -0.68 -2.30 116.97 118.25 1iou h TYR 128 Ca -0.00 -0.26 -0.10 0.00 0.05 0.00 0.00 58.73 58.41 1iou h TYR 128 Cb 0.29 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1iou h TYR 128 CO 0.00 1.06 -0.47 0.97 -1.05 0.00 0.00 178.16 178.66 1iou h ILE 129 N 0.77 0.83 -0.17 -2.88 -0.00 -0.26 -1.29 117.51 114.51 1iou h ILE 129 Ca 0.09 -2.13 -0.14 0.00 -0.00 0.00 0.00 64.86 62.67 1iou h ILE 129 Cb 0.82 2.38 0.00 0.00 -0.00 0.00 0.00 36.82 40.03 1iou h ILE 129 CO 0.07 0.47 -0.45 -1.28 -0.00 0.00 0.00 178.15 176.95 1iou h SER 130 N 0.00 0.70 1.49 2.19 0.87 -0.94 -3.17 113.55 114.69 1iou h SER 130 Ca -0.00 -0.58 -0.06 0.00 -1.23 0.00 0.00 61.79 59.92 1iou h SER 130 Cb 1.35 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1iou h SER 130 CO 0.06 1.15 -0.52 0.11 -0.53 0.00 0.00 176.83 177.10 1iou h LYS 131 N 0.27 0.00 0.00 2.24 6.56 -1.49 -3.21 116.57 120.94 1iou h LYS 131 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1iou h LYS 131 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1iou h LYS 131 CO 0.10 0.20 0.00 0.66 -2.06 0.00 0.00 179.45 178.35 1iou n TYR 132 N -3.04 0.73 -0.86 -1.35 4.02 -0.49 -3.85 117.16 112.33 1iou n TYR 132 Ca 0.01 0.33 -0.25 0.00 -0.01 0.00 0.00 57.90 57.98 1iou n TYR 132 Cb 0.64 -1.03 -0.03 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.21 2.39 -3.83 -0.72 1.13 -1.22 -4.01 117.38 108.92 1iou n GLN 133 Ca 0.00 -1.56 0.02 0.00 -1.94 0.00 0.00 57.00 53.53 1iou n GLN 133 Cb 0.13 -2.48 0.01 0.00 0.11 0.00 0.00 30.24 28.01 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 3.04 -0.02 0.59 1.08 1.01 -1.24 -4.84 116.67 116.30 1iou s ASP 134 Ca 0.47 -0.18 0.29 0.00 0.71 0.00 0.00 52.55 53.84 1iou s ASP 134 Cb 0.13 0.15 1.46 0.00 1.01 0.00 0.00 42.92 45.67 1iou s ASP 134 CO -0.04 -0.29 1.87 1.55 0.21 0.00 0.00 175.17 178.47 1iou h PRO 135 N 2.00 0.00 0.00 8.23 0.13 -1.84 -3.43 132.00 137.08 1iou h PRO 135 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1iou h PRO 135 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1iou h PRO 135 CO 0.30 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.50 1iou n SER 136 N -3.66 -0.31 0.00 1.44 7.64 -1.26 -5.01 113.62 112.47 1iou n SER 136 Ca 0.09 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1iou n SER 136 Cb 0.70 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 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 -2.32 0.00 -2.43 1.43 7.27 -1.26 -4.10 117.38 115.97 1iou n GLN 137 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 1iou n GLN 137 Cb 0.00 -0.68 -0.00 0.00 2.41 0.00 0.00 30.24 31.97 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 -0.08 -0.57 -2.62 1.69 0.00 -1.26 -1.93 120.51 115.75 1iou n ALA 138 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 1iou n ALA 138 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 -1.44 -5.54 0.00 0.00 2.03 -1.26 -5.19 116.55 105.16 1iou n ASP 139 Ca -0.19 -0.07 0.08 0.00 0.52 0.00 0.00 54.79 55.13 1iou n ASP 139 Cb 0.65 -4.58 0.46 0.00 -0.72 0.00 0.00 41.12 36.93 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28