#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 1.56 0.48 3.17 0.52 -1.26 -4.81 118.95 118.61 1iou s ARG 2 Ca 0.00 -1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 53.76 1iou s ARG 2 Cb 0.00 0.48 -0.07 0.00 0.52 0.00 0.00 34.95 35.88 1iou s ARG 2 CO 0.00 -0.65 1.13 -1.50 0.02 0.00 0.00 175.30 174.30 1iou s ILE 3 N -4.01 3.24 0.00 1.52 2.07 -1.24 -1.60 121.20 121.18 1iou s ILE 3 Ca 0.22 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.33 1iou s ILE 3 Cb -0.01 -3.41 0.00 0.00 0.13 0.00 0.00 42.46 39.17 1iou s ILE 3 CO 0.09 -0.07 0.00 -1.22 -1.91 0.00 0.00 174.94 171.83 1iou n TYR 4 N -0.73 0.00 -3.82 3.50 4.01 -1.06 -4.82 117.16 114.24 1iou n TYR 4 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 1iou n TYR 4 Cb 0.49 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.88 -0.04 0.17 -0.72 6.14 0.13 0.15 117.35 121.29 1iou s TYR 5 Ca 0.00 -0.03 -0.10 0.00 0.64 0.00 0.00 57.07 57.58 1iou s TYR 5 Cb 0.00 0.02 -0.00 0.00 0.42 0.00 0.00 41.96 42.40 1iou s TYR 5 CO 0.00 -0.38 0.32 0.42 0.64 0.00 0.00 175.55 176.55 1iou s ILE 6 N -1.79 0.06 -5.00 3.14 1.01 -0.38 -0.38 121.20 117.86 1iou s ILE 6 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1iou s ILE 6 Cb -0.04 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1iou s ILE 6 CO 0.01 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.28 1iou n GLY 7 N -0.23 -0.76 3.16 6.18 0.00 -0.53 -0.24 105.19 112.77 1iou n GLY 7 Ca -0.08 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.58 0.83 -0.18 1.61 1.01 0.56 -0.08 120.40 121.57 1iou s VAL 8 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.22 1iou s VAL 8 Cb 0.00 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1iou s VAL 8 CO 0.00 -0.60 0.46 -0.36 0.00 0.00 0.00 175.10 174.60 1iou s PHE 9 N -2.52 -0.56 -0.16 5.22 0.40 0.79 -0.46 117.98 120.69 1iou s PHE 9 Ca 0.04 1.30 -0.17 0.00 -0.60 0.00 0.00 56.93 57.50 1iou s PHE 9 Cb -0.02 0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.69 1iou s PHE 9 CO -0.01 -0.29 0.45 -0.98 0.70 0.00 0.00 175.22 175.10 1iou s ARG 10 N 0.66 4.27 -0.83 0.44 1.04 -1.16 -0.94 118.95 122.41 1iou s ARG 10 Ca -0.03 0.36 -0.23 0.00 -1.04 0.00 0.00 55.73 54.79 1iou s ARG 10 Cb -0.05 -3.48 -0.18 0.00 -2.04 0.00 0.00 34.95 29.20 1iou s ARG 10 CO -0.04 0.06 2.33 0.43 -0.04 0.00 0.00 175.30 178.03 1iou n SER 11 N 4.08 1.16 -1.99 -2.89 7.64 -1.25 -1.07 113.62 119.30 1iou n SER 11 Ca -0.07 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1iou n SER 11 Cb 0.51 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 6.51 -1.48 0.00 0.23 0.00 -0.50 -4.95 105.19 105.00 1iou n GLY 12 Ca 0.49 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.19 1.58 0.04 -0.02 0.00 -1.26 -4.65 105.19 103.07 1iou n GLY 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1iou n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iou n GLU 14 N -0.22 0.21 -3.47 1.61 4.07 -1.26 -4.96 120.64 116.61 1iou n GLU 14 Ca 0.00 0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 57.01 1iou n GLU 14 Cb 0.00 -1.61 -0.05 0.00 -0.06 0.00 0.00 31.44 29.73 1iou n GLU 14 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1iou n LYS 15 N -1.90 0.35 -3.70 5.31 0.00 -1.26 -5.00 118.16 111.96 1iou n LYS 15 Ca 0.03 -2.22 -0.28 0.00 -0.00 0.00 0.00 58.31 55.84 1iou n LYS 15 Cb 0.41 1.91 -0.03 0.00 -0.00 0.00 0.00 35.03 37.31 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 -2.79 3.83 0.24 0.58 0.00 -1.19 -1.41 121.76 121.01 1iou s ALA 16 Ca 0.26 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1iou s ALA 16 Cb 0.01 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1iou s ALA 16 CO 0.18 0.49 0.47 -1.17 0.00 0.00 0.00 175.76 175.73 1iou s LEU 17 N -3.16 4.15 -1.19 0.00 0.20 -0.23 -4.80 118.68 113.65 1iou s LEU 17 Ca 0.39 0.57 -0.17 0.00 0.69 0.00 0.00 54.13 55.61 1iou s LEU 17 Cb -0.11 -3.36 0.12 0.00 -0.43 0.00 0.00 46.19 42.41 1iou s LEU 17 CO 0.28 -0.10 1.50 -1.61 -0.29 0.00 0.00 176.35 176.13 1iou s GLU 18 N -3.35 3.95 0.17 1.98 8.01 -1.26 -3.00 118.70 125.20 1iou s GLU 18 Ca 0.41 -2.15 0.08 0.00 0.01 0.00 0.00 54.97 53.32 1iou s GLU 18 Cb -0.11 -5.23 -0.03 0.00 -4.31 0.00 0.00 34.13 24.45 1iou s GLU 18 CO 0.29 -1.97 1.38 -0.07 0.01 0.00 0.00 175.26 174.90 1iou h LEU 19 N 11.04 0.01 -7.00 1.80 3.38 -1.31 -3.43 115.31 119.80 1iou h LEU 19 Ca 0.33 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1iou h LEU 19 Cb 0.90 -0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.40 1iou h LEU 19 CO 1.32 0.89 0.29 -0.44 0.09 0.00 0.00 178.44 180.58 1iou s SER 20 N -6.76 -0.63 -0.15 -0.43 0.01 0.40 0.10 113.70 106.24 1iou s SER 20 Ca 0.00 1.05 -0.04 0.00 1.31 0.00 0.00 55.95 58.27 1iou s SER 20 Cb 0.11 1.20 0.05 0.00 0.21 0.00 0.00 66.02 67.59 1iou s SER 20 CO 0.80 -0.17 0.08 -1.61 0.41 0.00 0.00 173.24 172.75 1iou s GLU 21 N 1.10 0.13 -0.08 12.44 2.02 -1.26 -0.32 118.70 132.73 1iou s GLU 21 Ca -0.06 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 54.94 1iou s GLU 21 Cb -0.04 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.55 1iou s GLU 21 CO -0.13 -0.60 -0.23 0.54 0.02 0.00 0.00 175.26 174.85 1iou s VAL 22 N 2.10 1.97 0.17 2.63 0.11 0.66 -4.99 120.40 123.05 1iou s VAL 22 Ca 0.02 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.15 1iou s VAL 22 Cb -0.15 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1iou s VAL 22 CO -0.08 0.54 0.01 -0.54 -3.33 0.00 0.00 175.10 171.71 1iou s LYS 23 N 0.12 2.46 -0.23 1.54 1.02 -1.26 -1.25 119.74 122.14 1iou s LYS 23 Ca -0.11 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 1iou s LYS 23 Cb -0.16 -2.40 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1iou s LYS 23 CO 0.06 0.46 0.05 -0.51 -0.92 0.00 0.00 175.35 174.50 1iou s ASP 24 N -2.90 3.23 -0.41 2.83 1.01 0.40 -4.94 116.67 115.90 1iou s ASP 24 Ca 0.28 -1.04 0.02 0.00 0.71 0.00 0.00 52.55 52.51 1iou s ASP 24 Cb -0.10 -0.66 0.14 0.00 1.01 0.00 0.00 42.92 43.32 1iou s ASP 24 CO 0.19 -0.34 0.25 -0.76 0.21 0.00 0.00 175.17 174.72 1iou s LEU 25 N 1.80 1.90 -0.23 1.23 1.43 -1.26 -4.54 118.68 119.01 1iou s LEU 25 Ca 0.02 -2.54 0.05 0.00 -1.03 0.00 0.00 54.13 50.63 1iou s LEU 25 Cb -0.17 -0.72 -0.18 0.00 0.03 0.00 0.00 46.19 45.15 1iou s LEU 25 CO -0.14 -0.27 -0.15 -0.24 0.23 0.00 0.00 176.35 175.79 1iou n SER 26 N 3.60 1.64 0.09 2.29 2.88 -1.26 -4.53 113.62 118.32 1iou n SER 26 Ca 0.13 -0.10 0.06 0.00 -1.33 0.00 0.00 58.87 57.63 1iou n SER 26 Cb 0.37 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1iou h GLN 27 N 0.00 0.00 -6.22 -1.46 4.20 -2.01 -3.45 115.11 106.18 1iou h GLN 27 Ca -0.55 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.58 1iou h GLN 27 Cb 1.94 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.64 1iou h GLN 27 CO -0.06 0.17 0.70 -0.06 -0.67 0.00 0.00 178.83 178.91 1iou s PHE 28 N -3.13 3.07 1.06 2.96 0.40 -1.26 -5.02 117.98 116.06 1iou s PHE 28 Ca -0.01 0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 56.99 1iou s PHE 28 Cb 0.09 -3.75 0.02 0.00 0.51 0.00 0.00 43.02 39.88 1iou s PHE 28 CO 0.79 -0.86 -0.46 0.41 0.70 0.00 0.00 175.22 175.79 1iou n GLY 29 N 4.30 -2.63 0.09 4.36 0.00 -1.26 -3.72 105.19 106.33 1iou n GLY 29 Ca 0.09 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.13 0.48 -0.10 1.61 -1.74 -1.26 0.16 117.46 112.47 1iou n PHE 30 Ca 0.00 0.22 -0.20 0.00 -0.56 0.00 0.00 57.45 56.91 1iou n PHE 30 Cb 0.63 -0.85 -0.10 0.00 1.52 0.00 0.00 39.48 40.68 1iou n PHE 30 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1iou n PHE 31 N -1.97 0.87 0.06 2.97 3.72 -1.26 -4.30 117.46 117.56 1iou n PHE 31 Ca 0.01 0.38 -0.09 0.00 -0.05 0.00 0.00 57.45 57.69 1iou n PHE 31 Cb 0.10 -1.04 0.04 0.00 -0.94 0.00 0.00 39.48 37.64 1iou n PHE 31 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1iou h GLU 32 N -1.00 0.36 -1.20 -1.08 4.81 -1.79 -3.09 114.58 111.59 1iou h GLU 32 Ca -0.34 -0.30 0.35 0.00 -0.13 0.00 0.00 59.36 58.94 1iou h GLU 32 Cb 1.23 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 1iou h GLU 32 CO -0.21 0.94 0.89 -0.09 -0.73 0.00 0.00 179.01 179.82 1iou h ARG 33 N 0.24 0.00 -0.00 1.92 2.43 0.14 0.43 114.38 119.54 1iou h ARG 33 Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1iou h ARG 33 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1iou h ARG 33 CO 0.12 0.00 -0.08 1.03 -1.51 0.00 0.00 179.97 179.53 1iou h SER 34 N 0.00 0.08 -0.56 -3.80 0.87 -1.72 -1.74 113.55 106.67 1iou h SER 34 Ca 0.57 -0.77 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1iou h SER 34 Cb 2.34 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 64.26 1iou h SER 34 CO -0.01 0.84 0.09 0.77 -0.53 0.00 0.00 176.83 178.00 1iou h SER 35 N -0.68 0.89 -0.49 6.23 4.64 -0.63 -2.44 113.55 121.07 1iou h SER 35 Ca -0.01 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 60.92 1iou h SER 35 Cb 0.85 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1iou h SER 35 CO 0.02 0.92 -0.21 0.58 -0.87 0.00 0.00 176.83 177.27 1iou h VAL 36 N 0.82 1.27 -0.64 0.95 2.07 -0.44 -1.84 116.25 118.43 1iou h VAL 36 Ca 0.17 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.40 1iou h VAL 36 Cb 0.41 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1iou h VAL 36 CO 0.01 0.48 0.30 1.23 0.02 0.00 0.00 177.57 179.61 1iou h GLY 37 N 0.88 0.94 1.55 2.17 0.00 -1.13 0.42 103.07 107.90 1iou h GLY 37 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1iou h GLY 37 CO 0.07 0.05 -0.00 -1.61 0.00 0.00 0.00 176.54 175.04 1iou h GLN 38 N 0.53 0.56 -0.63 4.80 4.15 -1.25 -2.11 115.11 121.16 1iou h GLN 38 Ca 0.31 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1iou h GLN 38 Cb 0.32 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1iou h GLN 38 CO -0.26 0.58 0.15 0.35 -1.93 0.00 0.00 178.83 177.73 1iou h PHE 39 N 0.53 1.06 0.81 3.99 3.04 0.20 -2.27 116.94 124.31 1iou h PHE 39 Ca 0.11 -0.13 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1iou h PHE 39 Cb 0.35 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1iou h PHE 39 CO 0.01 0.89 -0.45 0.52 -2.02 0.00 0.00 178.31 177.26 1iou h MET 40 N 0.93 -1.13 0.38 1.11 2.86 0.32 -2.33 114.93 117.08 1iou h MET 40 Ca 0.20 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1iou h MET 40 Cb 0.36 0.26 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1iou h MET 40 CO 0.00 -0.75 -0.49 1.15 1.06 0.00 0.00 176.91 177.88 1iou h THR 41 N -1.17 0.00 -0.97 2.22 2.02 -1.44 0.30 112.91 113.87 1iou h THR 41 Ca -0.11 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.39 1iou h THR 41 Cb 0.92 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.17 1iou h THR 41 CO 0.14 0.00 0.37 0.15 0.37 0.00 0.00 175.52 176.55 1iou h PHE 42 N -0.90 0.55 -0.25 3.16 3.57 -1.45 1.16 116.94 122.78 1iou h PHE 42 Ca -0.05 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1iou h PHE 42 Cb 0.80 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1iou h PHE 42 CO -0.30 -0.34 -0.62 0.35 -2.23 0.00 0.00 178.31 175.18 1iou h PHE 43 N 0.13 1.11 -0.67 0.41 3.57 -0.80 -1.79 116.94 118.89 1iou h PHE 43 Ca 0.70 -0.42 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1iou h PHE 43 Cb 1.63 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1iou h PHE 43 CO -0.17 1.26 0.16 0.00 -2.23 0.00 0.00 178.31 177.32 1iou h ALA 44 N 0.64 0.88 -0.16 2.41 0.00 0.48 -0.53 119.26 122.99 1iou h ALA 44 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1iou h ALA 44 Cb 1.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1iou h ALA 44 CO 0.13 0.60 -0.44 1.05 0.00 0.00 0.00 179.25 180.60 1iou h GLU 45 N 1.00 0.38 0.31 0.00 4.11 0.21 -2.81 114.58 117.78 1iou h GLU 45 Ca 0.21 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1iou h GLU 45 Cb 0.37 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1iou h GLU 45 CO 0.00 0.75 -0.15 1.15 0.07 0.00 0.00 179.01 180.84 1iou h THR 46 N 0.31 0.71 -0.16 -1.06 2.02 -0.90 -1.11 112.91 112.73 1iou h THR 46 Ca 0.02 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.76 1iou h THR 46 Cb 0.90 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1iou h THR 46 CO 0.08 0.09 -0.45 -0.37 0.37 0.00 0.00 175.52 175.24 1iou h VAL 47 N -0.68 0.00 -0.68 3.16 -1.51 -1.07 1.31 116.25 116.78 1iou h VAL 47 Ca -0.04 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.61 1iou h VAL 47 Cb 0.47 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.60 1iou h VAL 47 CO 0.07 0.00 0.48 0.00 -1.23 0.00 0.00 177.57 176.89 1iou h ALA 48 N -0.46 2.55 -0.09 5.19 0.00 -1.54 1.58 119.26 126.50 1iou h ALA 48 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1iou h ALA 48 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.39 -0.75 -0.64 1.03 0.00 0.00 0.00 179.25 178.50 1iou h SER 49 N 0.06 0.38 0.03 0.00 0.87 0.12 -3.19 113.55 111.82 1iou h SER 49 Ca 0.32 -0.23 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 1iou h SER 49 Cb 1.21 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1iou h SER 49 CO -0.02 0.92 -0.63 0.03 -0.53 0.00 0.00 176.83 176.60 1iou h ARG 50 N 0.24 0.37 -6.29 2.24 3.08 0.93 -3.42 114.38 111.53 1iou h ARG 50 Ca -0.01 -0.44 -0.55 0.00 0.07 0.00 0.00 59.98 59.05 1iou h ARG 50 Cb 1.18 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 1iou h ARG 50 CO 0.11 1.13 1.21 0.99 -1.07 0.00 0.00 179.97 182.33 1iou s THR 51 N -3.02 3.61 0.00 2.04 2.01 0.46 -4.86 115.64 115.87 1iou s THR 51 Ca -0.13 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 1iou s THR 51 Cb 0.03 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1iou s THR 51 CO 0.82 -0.77 2.05 0.61 -0.69 0.00 0.00 174.62 176.64 1iou n GLY 52 N 5.38 2.47 1.65 4.40 0.00 -1.26 -4.78 105.19 113.06 1iou n GLY 52 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.59 -1.99 -0.97 4.61 0.00 -1.26 -4.76 120.51 117.73 1iou n ALA 53 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1iou n ALA 53 Cb 0.51 -1.49 0.00 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 -2.10 0.71 3.28 0.00 0.00 -1.06 -4.98 105.19 101.03 1iou n GLY 54 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.16 1.47 0.19 1.61 -1.05 -1.26 -4.97 118.70 114.53 1iou s GLU 55 Ca 0.00 -1.75 0.11 0.00 -0.15 0.00 0.00 54.97 53.18 1iou s GLU 55 Cb 0.00 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1iou s GLU 55 CO 0.00 -0.53 -0.24 1.03 0.95 0.00 0.00 175.26 176.47 1iou s ARG 56 N -3.82 1.52 -0.04 -4.83 0.52 -1.26 -1.93 118.95 109.11 1iou s ARG 56 Ca 0.38 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 1iou s ARG 56 Cb 0.04 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.71 1iou s ARG 56 CO 0.18 0.40 0.07 -0.65 0.02 0.00 0.00 175.30 175.31 1iou s GLN 57 N -2.68 -0.02 -0.34 3.54 -0.21 -0.69 -4.92 119.66 114.35 1iou s GLN 57 Ca 0.21 0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.90 1iou s GLN 57 Cb -0.08 -0.28 0.09 0.00 1.00 0.00 0.00 33.01 33.74 1iou s GLN 57 CO 0.10 -0.21 0.05 -1.12 -2.12 0.00 0.00 175.29 171.99 1iou s SER 58 N 1.38 4.80 -0.51 5.90 0.01 -1.26 0.27 113.70 124.29 1iou s SER 58 Ca -0.06 -1.99 -0.25 0.00 1.31 0.00 0.00 55.95 54.96 1iou s SER 58 Cb -0.12 -1.65 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1iou s SER 58 CO -0.04 -0.37 0.92 0.27 0.41 0.00 0.00 173.24 174.43 1iou s ILE 59 N 0.98 4.44 -0.16 1.44 -4.36 -0.80 -4.79 121.20 117.95 1iou s ILE 59 Ca 0.07 0.48 -0.20 0.00 -0.26 0.00 0.00 60.65 60.73 1iou s ILE 59 Cb -0.20 -4.48 -0.03 0.00 1.25 0.00 0.00 42.46 39.00 1iou s ILE 59 CO -0.07 -0.97 0.60 -0.70 0.24 0.00 0.00 174.94 174.04 1iou s GLU 60 N 3.81 4.27 0.45 0.37 2.12 -1.26 0.09 118.70 128.56 1iou s GLU 60 Ca 0.33 0.61 0.06 0.00 0.36 0.00 0.00 54.97 56.32 1iou s GLU 60 Cb -0.11 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1iou s GLU 60 CO 0.22 -0.10 0.12 -2.00 -0.54 0.00 0.00 175.26 172.96 1iou s GLU 61 N 1.46 2.15 0.58 4.30 2.12 0.33 -4.97 118.70 124.66 1iou s GLU 61 Ca 0.29 -2.06 0.34 0.00 0.36 0.00 0.00 54.97 53.90 1iou s GLU 61 Cb -0.16 -1.80 1.39 0.00 0.26 0.00 0.00 34.13 33.82 1iou s GLU 61 CO 0.12 -0.21 1.66 0.78 -0.54 0.00 0.00 175.26 177.07 1iou h GLY 62 N 1.43 0.00 -3.03 -1.50 0.00 -2.05 -3.12 103.07 94.80 1iou h GLY 62 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1iou h GLY 62 CO 0.72 0.00 -0.20 1.16 0.00 0.00 0.00 176.54 178.23 1iou n ASN 63 N -3.76 -0.87 -3.66 0.19 6.94 -1.26 -5.11 115.26 107.73 1iou n ASN 63 Ca 0.23 -1.63 -0.09 0.00 -0.02 0.00 0.00 54.58 53.07 1iou n ASN 63 Cb 1.27 0.35 -0.09 0.00 -2.36 0.00 0.00 39.78 38.95 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1iou s TYR 64 N 0.04 -0.85 0.16 -2.53 1.51 -1.18 -4.64 117.35 109.86 1iou s TYR 64 Ca 0.03 1.77 0.06 0.00 -1.01 0.00 0.00 57.07 57.92 1iou s TYR 64 Cb 0.16 0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 42.42 1iou s TYR 64 CO -0.04 -0.44 0.06 0.42 -1.11 0.00 0.00 175.55 174.43 1iou s ILE 65 N 1.39 4.09 -0.46 2.71 1.01 0.33 0.12 121.20 130.39 1iou s ILE 65 Ca -0.09 -1.21 0.06 0.00 0.00 0.00 0.00 60.65 59.42 1iou s ILE 65 Cb -0.06 -3.05 0.21 0.00 0.01 0.00 0.00 42.46 39.56 1iou s ILE 65 CO -0.15 -0.07 0.47 0.61 0.00 0.00 0.00 174.94 175.80 1iou n GLY 66 N -0.09 2.88 3.59 6.18 0.00 0.11 -0.40 105.19 117.47 1iou n GLY 66 Ca -0.09 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 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 2.01 0.41 -3.78 1.61 8.25 0.73 -1.91 115.22 122.55 1iou n HIS 67 Ca 0.26 0.37 -0.13 0.00 -0.26 0.00 0.00 57.72 57.96 1iou n HIS 67 Cb 0.48 -2.03 -0.11 0.00 1.12 0.00 0.00 29.99 29.44 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 -1.99 -0.00 -0.18 1.59 1.01 0.75 -0.35 120.40 121.23 1iou s VAL 68 Ca 0.70 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1iou s VAL 68 Cb -0.31 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 35.75 1iou s VAL 68 CO 0.53 0.00 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 1iou s TYR 69 N 0.18 -0.09 0.22 5.22 1.51 -0.67 -1.70 117.35 122.01 1iou s TYR 69 Ca -0.00 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 1iou s TYR 69 Cb -0.02 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.30 1iou s TYR 69 CO 0.00 -0.53 0.45 0.00 -1.11 0.00 0.00 175.55 174.36 1iou s ALA 70 N 2.25 3.74 1.04 3.71 0.00 -0.81 -1.47 121.76 130.22 1iou s ALA 70 Ca 0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1iou s ALA 70 Cb -0.15 -2.15 0.20 0.00 0.00 0.00 0.00 23.12 21.02 1iou s ALA 70 CO -0.10 0.43 1.11 0.54 0.00 0.00 0.00 175.76 177.73 1iou n ARG 71 N -0.55 -1.41 -0.26 0.00 5.12 -1.22 -4.43 116.66 113.91 1iou n ARG 71 Ca -0.03 -1.72 0.05 0.00 -1.93 0.00 0.00 57.85 54.23 1iou n ARG 71 Cb 0.53 -1.21 0.16 0.00 -1.16 0.00 0.00 32.46 30.78 1iou n ARG 71 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1iou h SER 72 N -1.67 -0.39 -0.01 0.55 0.87 -1.96 -2.82 113.55 108.13 1iou h SER 72 Ca -0.37 0.20 0.28 0.00 -1.23 0.00 0.00 61.79 60.68 1iou h SER 72 Cb 1.02 0.36 -0.18 0.00 -0.44 0.00 0.00 62.40 63.17 1iou h SER 72 CO 0.25 -0.20 0.12 -0.70 -0.53 0.00 0.00 176.83 175.78 1iou s GLU 73 N -6.12 0.00 0.00 2.24 -6.30 -1.26 -4.33 118.70 102.93 1iou s GLU 73 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 54.97 52.34 1iou s GLU 73 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 34.13 34.36 1iou s GLU 73 CO 0.76 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1iou n GLY 74 N 5.04 -1.36 3.46 -1.50 0.00 -1.26 -4.91 105.19 104.66 1iou n GLY 74 Ca 0.09 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 3.42 -0.09 -0.61 -0.00 -1.26 -3.86 121.20 118.80 1iou s ILE 75 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 60.65 60.09 1iou s ILE 75 Cb 0.00 -2.44 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 1iou s ILE 75 CO 0.00 0.54 -0.02 0.00 -0.00 0.00 0.00 174.94 175.46 1iou s GLY 77 N -0.63 2.52 -0.01 0.00 0.00 -0.54 -0.15 107.32 108.50 1iou s GLY 77 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1iou s GLY 77 CO 0.02 0.45 0.03 0.14 0.00 0.00 0.00 173.10 173.74 1iou s VAL 78 N -0.53 4.35 -0.20 1.40 1.01 0.88 -1.68 120.40 125.64 1iou s VAL 78 Ca 0.26 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1iou s VAL 78 Cb -0.17 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.33 1iou s VAL 78 CO 0.14 0.40 0.03 -0.22 0.00 0.00 0.00 175.10 175.45 1iou s LEU 79 N -1.52 1.23 -0.22 3.92 0.20 0.52 -1.45 118.68 121.36 1iou s LEU 79 Ca 0.20 -0.83 -0.04 0.00 0.69 0.00 0.00 54.13 54.15 1iou s LEU 79 Cb -0.12 -0.61 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 1iou s LEU 79 CO 0.10 -0.30 -0.05 0.27 -0.29 0.00 0.00 176.35 176.08 1iou s ILE 80 N 1.84 3.35 0.15 6.68 -4.36 0.48 0.26 121.20 129.61 1iou s ILE 80 Ca -0.01 -0.50 0.03 0.00 -0.26 0.00 0.00 60.65 59.90 1iou s ILE 80 Cb -0.17 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.01 1iou s ILE 80 CO -0.08 0.43 0.14 1.07 0.24 0.00 0.00 174.94 176.74 1iou n THR 81 N 4.76 0.00 -2.03 8.37 5.66 0.46 -0.69 114.28 130.81 1iou n THR 81 Ca -0.18 -1.01 -0.29 0.00 -3.05 0.00 0.00 64.05 59.51 1iou n THR 81 Cb 0.51 0.52 0.03 0.00 -1.55 0.00 0.00 70.33 69.85 1iou n THR 81 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iou s ASP 82 N -2.01 5.69 0.59 1.09 2.15 -0.63 0.12 116.67 123.68 1iou s ASP 82 Ca 0.17 1.10 0.29 0.00 0.43 0.00 0.00 52.55 54.53 1iou s ASP 82 Cb 0.01 -2.02 1.66 0.00 -0.30 0.00 0.00 42.92 42.26 1iou s ASP 82 CO 0.12 -1.14 2.09 0.50 -0.17 0.00 0.00 175.17 176.57 1iou h LYS 83 N -0.43 0.00 -1.57 4.34 1.63 -1.88 -1.16 116.57 117.50 1iou h LYS 83 Ca -0.45 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.07 1iou h LYS 83 Cb 1.24 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.75 1iou h LYS 83 CO 0.63 0.00 0.36 1.04 -3.45 0.00 0.00 179.45 178.03 1iou n GLN 84 N -3.77 1.69 -3.45 1.90 3.00 -1.26 -4.53 117.38 110.95 1iou n GLN 84 Ca 0.02 -1.35 -0.27 0.00 -0.01 0.00 0.00 57.00 55.39 1iou n GLN 84 Cb 0.34 -1.53 -0.10 0.00 0.00 0.00 0.00 30.24 28.95 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 -1.57 1.29 1.00 1.08 6.14 -0.44 -4.62 117.35 120.23 1iou s TYR 85 Ca 0.27 -2.35 -0.18 0.00 0.64 0.00 0.00 57.07 55.44 1iou s TYR 85 Cb 0.21 -1.10 -0.11 0.00 0.42 0.00 0.00 41.96 41.39 1iou s TYR 85 CO -0.00 -0.80 -0.66 -2.30 0.64 0.00 0.00 175.55 172.43 1iou n PRO 86 N 2.90 -0.16 0.08 4.97 -0.02 -1.26 -4.88 135.00 136.62 1iou n PRO 86 Ca 0.27 -0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1iou n PRO 86 Cb 0.45 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iou h VAL 87 N -1.18 1.45 -0.92 -1.45 2.07 -1.97 -3.29 116.25 110.95 1iou h VAL 87 Ca -0.44 -2.54 0.08 0.00 0.82 0.00 0.00 66.70 64.62 1iou h VAL 87 Cb 1.32 2.45 -0.11 0.00 -1.52 0.00 0.00 31.29 33.43 1iou h VAL 87 CO 0.26 0.75 -0.55 -2.11 0.02 0.00 0.00 177.57 175.94 1iou n ARG 88 N -3.70 -0.41 0.23 1.57 0.00 -1.26 0.10 116.66 113.19 1iou n ARG 88 Ca -0.05 1.46 0.08 0.00 -0.00 0.00 0.00 57.85 59.34 1iou n ARG 88 Cb 0.83 -2.15 0.53 0.00 -0.00 0.00 0.00 32.46 31.67 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 0.00 2.89 0.13 -1.85 -0.32 132.00 132.85 1iou h PRO 89 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.22 1iou h PRO 89 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1iou h PRO 89 CO -0.87 0.23 -0.29 0.00 -0.23 0.00 0.00 178.00 176.85 1iou h ALA 90 N 1.77 1.27 -0.07 -0.56 0.00 0.51 0.45 119.26 122.63 1iou h ALA 90 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1iou h ALA 90 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iou h ALA 90 CO 0.03 0.36 -0.11 -0.92 0.00 0.00 0.00 179.25 178.61 1iou h TYR 91 N 0.00 0.23 -0.65 0.00 5.03 0.24 0.31 116.97 122.14 1iou h TYR 91 Ca -0.00 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1iou h TYR 91 Cb 0.61 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 1iou h TYR 91 CO 0.00 0.69 0.37 1.15 -1.32 0.00 0.00 178.16 179.04 1iou h THR 92 N -0.28 1.20 0.75 1.81 2.02 -0.86 0.34 112.91 117.88 1iou h THR 92 Ca 0.01 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1iou h THR 92 Cb 0.66 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1iou h THR 92 CO 0.02 0.21 -0.36 0.25 0.37 0.00 0.00 175.52 176.02 1iou h LEU 93 N 0.88 -0.85 -0.07 2.58 7.12 -0.08 -2.06 115.31 122.83 1iou h LEU 93 Ca 0.23 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1iou h LEU 93 Cb 0.02 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1iou h LEU 93 CO -0.04 -0.51 0.00 0.18 -0.13 0.00 0.00 178.44 177.94 1iou n LEU 94 N -5.46 0.03 0.03 2.25 4.77 0.11 -2.16 117.00 116.56 1iou n LEU 94 Ca -0.13 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1iou n LEU 94 Cb 0.41 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1iou n LEU 94 CO 0.34 -0.44 0.07 -1.13 -1.33 0.00 0.00 177.39 174.90 1iou h ASN 95 N 0.00 -0.14 -0.97 -1.43 -1.24 0.35 -2.75 115.58 109.41 1iou h ASN 95 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1iou h ASN 95 Cb 0.08 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 1iou h ASN 95 CO 0.00 0.29 0.63 0.11 -1.29 0.00 0.00 177.43 177.17 1iou h LYS 96 N -0.95 1.18 0.68 6.67 6.56 -1.21 -0.32 116.57 129.19 1iou h LYS 96 Ca -0.02 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1iou h LYS 96 Cb 0.13 -0.27 0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1iou h LYS 96 CO 0.03 0.78 -0.33 0.97 -2.06 0.00 0.00 179.45 178.85 1iou h ILE 97 N 1.22 0.31 -0.79 1.86 2.10 -1.57 1.33 117.51 121.97 1iou h ILE 97 Ca 0.39 -0.08 0.01 0.00 1.08 0.00 0.00 64.86 66.26 1iou h ILE 97 Cb 0.01 0.33 -0.04 0.00 -1.09 0.00 0.00 36.82 36.03 1iou h ILE 97 CO -0.12 0.01 0.52 -0.07 -1.08 0.00 0.00 178.15 177.41 1iou h LEU 98 N -0.97 0.89 -1.28 2.19 4.07 -1.35 0.59 115.31 119.45 1iou h LEU 98 Ca -0.09 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 1iou h LEU 98 Cb 0.72 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1iou h LEU 98 CO 0.15 0.64 -0.33 0.44 -1.08 0.00 0.00 178.44 178.26 1iou h ASP 99 N 1.05 0.00 0.93 -0.43 3.32 -0.93 -1.78 116.42 118.58 1iou h ASP 99 Ca 0.30 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 1iou h ASP 99 Cb -0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1iou h ASP 99 CO -0.08 0.33 -0.70 -0.08 -1.72 0.00 0.00 179.24 177.00 1iou h GLU 100 N 0.00 0.00 -0.00 3.56 4.57 0.39 -3.07 114.58 120.03 1iou h GLU 100 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1iou h GLU 100 Cb 0.67 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1iou h GLU 100 CO 0.04 0.70 -0.76 -0.92 -1.18 0.00 0.00 179.01 176.90 1iou h TYR 101 N 0.00 0.00 -0.04 0.92 5.03 0.90 -3.12 116.97 120.66 1iou h TYR 101 Ca -0.01 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.16 1iou h TYR 101 Cb 1.35 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.62 1iou h TYR 101 CO 0.00 0.76 -0.61 -0.07 -1.32 0.00 0.00 178.16 176.92 1iou h LEU 102 N 0.00 0.18 0.05 2.82 3.38 -1.31 -3.30 115.31 117.13 1iou h LEU 102 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1iou h LEU 102 Cb 1.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1iou h LEU 102 CO 0.10 0.74 -0.03 0.58 0.09 0.00 0.00 178.44 179.93 1iou h VAL 103 N 0.12 1.27 -0.10 1.22 2.07 -1.51 -3.06 116.25 116.26 1iou h VAL 103 Ca -0.01 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1iou h VAL 103 Cb 1.10 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1iou h VAL 103 CO 0.09 0.29 0.77 0.00 0.02 0.00 0.00 177.57 178.74 1iou h ALA 104 N 0.26 1.86 -1.25 1.67 0.00 -1.62 -3.39 119.26 116.80 1iou h ALA 104 Ca -0.01 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1iou h ALA 104 Cb 0.54 0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.03 1iou h ALA 104 CO 0.01 -0.82 0.64 -3.38 0.00 0.00 0.00 179.25 175.70 1iou s HIS 105 N -4.09 -0.25 0.45 0.00 0.00 -1.16 -5.09 115.29 105.15 1iou s HIS 105 Ca -0.02 0.52 -0.10 0.00 -3.00 0.00 0.00 55.06 52.46 1iou s HIS 105 Cb 0.05 0.22 -0.08 0.00 -4.00 0.00 0.00 32.58 28.77 1iou s HIS 105 CO 0.15 -0.12 -0.30 -2.30 -1.00 0.00 0.00 174.74 171.17 1iou n PRO 106 N 2.97 0.00 0.07 -0.38 -0.02 -1.21 -4.51 135.00 131.92 1iou n PRO 106 Ca -0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1iou n PRO 106 Cb 0.57 -0.56 -0.08 0.00 -0.02 0.00 0.00 33.50 33.41 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 -0.33 -0.53 0.00 -0.52 1.57 -1.95 -2.54 116.57 112.27 1iou h LYS 107 Ca -0.24 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1iou h LYS 107 Cb 0.77 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1iou h LYS 107 CO 0.17 -0.36 -0.40 0.93 -0.57 0.00 0.00 179.45 179.23 1iou h GLU 108 N -0.55 0.00 -0.84 3.15 3.07 -1.97 -3.19 114.58 114.25 1iou h GLU 108 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 1iou h GLU 108 Cb 0.57 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.33 1iou h GLU 108 CO -0.25 0.40 -0.16 1.49 -1.40 0.00 0.00 179.01 179.10 1iou h GLU 109 N 0.00 0.02 0.00 2.33 4.81 -1.75 -2.87 114.58 117.11 1iou h GLU 109 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iou h GLU 109 Cb 0.85 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1iou h GLU 109 CO 0.05 0.01 -0.01 0.11 -0.73 0.00 0.00 179.01 178.44 1iou h TRP 110 N 0.02 0.00 -2.07 0.92 5.08 -1.58 -3.45 115.95 114.87 1iou h TRP 110 Ca 0.42 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.29 1iou h TRP 110 Cb 0.69 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.81 1iou h TRP 110 CO -0.61 0.00 -0.10 0.00 -1.28 0.00 0.00 178.44 176.46 1iou n ALA 111 N -2.75 -0.17 0.00 0.11 0.00 -1.09 0.78 120.51 117.39 1iou n ALA 111 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1iou n ALA 111 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1iou n ALA 111 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iou n ASP 112 N 0.20 0.00 0.00 0.00 5.68 -1.26 -4.76 116.55 116.41 1iou n ASP 112 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1iou n ASP 112 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1iou n VAL 113 N 0.00 0.00 0.00 2.12 0.31 0.23 -4.61 118.33 116.38 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 -2.12 2.52 -2.24 -1.26 -4.55 114.28 106.63 1iou n THR 114 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1iou n THR 114 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1iou n THR 114 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iou n GLU 115 N -1.95 0.00 0.00 -0.78 0.28 -1.26 -5.09 120.64 111.84 1iou n GLU 115 Ca 0.00 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.95 1iou n GLU 115 Cb 0.00 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 32.66 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 0.12 0.00 0.00 3.84 5.66 -1.26 -4.97 114.28 117.66 1iou n THR 116 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1iou n THR 116 Cb 0.77 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 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 -3.91 0.00 0.10 1.09 0.23 -1.26 -4.95 115.26 106.56 1iou n ASN 117 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1iou n ASN 117 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1iou h ASP 118 N 0.00 0.00 -0.27 0.53 3.32 -1.72 -3.06 116.42 115.22 1iou h ASP 118 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1iou h ASP 118 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1iou h ASP 118 CO 0.00 0.78 -0.14 0.00 -1.72 0.00 0.00 179.24 178.16 1iou h ALA 119 N 1.22 0.07 0.00 3.45 0.00 0.39 0.11 119.26 124.49 1iou h ALA 119 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1iou h ALA 119 Cb 1.45 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1iou h ALA 119 CO 0.10 -0.55 -0.14 -0.07 0.00 0.00 0.00 179.25 178.59 1iou h LEU 120 N -0.11 0.00 -6.45 0.00 -0.00 -1.83 -3.42 115.31 103.50 1iou h LEU 120 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.79 1iou h LEU 120 Cb 0.33 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 40.68 1iou h LEU 120 CO -0.34 0.14 -0.56 -0.54 -0.00 0.00 0.00 178.44 177.14 1iou s LYS 121 N -3.58 0.35 -0.39 1.13 1.02 0.27 -5.02 119.74 113.52 1iou s LYS 121 Ca 0.02 0.17 0.05 0.00 0.02 0.00 0.00 55.97 56.23 1iou s LYS 121 Cb 0.09 -0.54 0.31 0.00 -0.52 0.00 0.00 37.83 37.17 1iou s LYS 121 CO 0.62 -0.89 1.25 -0.12 -0.92 0.00 0.00 175.35 175.29 1iou n MET 122 N 5.34 0.61 0.14 1.68 1.56 -0.62 -4.13 117.12 121.70 1iou n MET 122 Ca -0.02 -1.32 0.19 0.00 -0.27 0.00 0.00 57.70 56.28 1iou n MET 122 Cb 0.49 -0.50 0.70 0.00 2.15 0.00 0.00 33.22 36.05 1iou n MET 122 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1iou h LYS 123 N 2.41 0.00 0.00 2.12 6.56 -1.95 -2.71 116.57 123.00 1iou h LYS 123 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1iou h LYS 123 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1iou h LYS 123 CO 0.03 0.00 0.00 0.94 -2.06 0.00 0.00 179.45 178.36 1iou n GLN 124 N -3.37 0.00 -0.01 3.15 -0.06 -1.26 0.10 117.38 115.93 1iou n GLN 124 Ca 0.06 0.63 0.01 0.00 -2.00 0.00 0.00 57.00 55.70 1iou n GLN 124 Cb 0.67 -1.39 0.33 0.00 -4.06 0.00 0.00 30.24 25.80 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 0.49 0.95 1.69 8.10 -1.86 -1.44 115.31 123.25 1iou h LEU 125 Ca 0.00 -0.07 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 1iou h LEU 125 Cb 0.00 -0.13 0.01 0.00 -0.44 0.00 0.00 40.66 40.10 1iou h LEU 125 CO 0.00 0.50 -0.45 0.44 -4.11 0.00 0.00 178.44 174.81 1iou h ASP 126 N 0.53 -1.08 0.08 0.17 3.32 -1.25 0.27 116.42 118.47 1iou h ASP 126 Ca 0.13 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1iou h ASP 126 Cb 0.20 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1iou h ASP 126 CO -0.00 -0.76 -0.06 0.74 -1.72 0.00 0.00 179.24 177.43 1iou h THR 127 N -1.28 0.90 -0.04 0.35 2.02 -0.28 -2.02 112.91 112.55 1iou h THR 127 Ca -0.13 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1iou h THR 127 Cb 0.98 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1iou h THR 127 CO 0.21 0.06 -0.09 1.88 0.37 0.00 0.00 175.52 177.95 1iou h TYR 128 N 0.00 0.17 0.00 3.16 0.05 -0.90 -2.41 116.97 117.04 1iou h TYR 128 Ca -0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1iou h TYR 128 Cb 0.12 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1iou h TYR 128 CO 0.00 0.68 -0.08 0.97 -1.05 0.00 0.00 178.16 178.68 1iou h ILE 129 N -0.39 0.55 0.04 -2.88 -0.00 -0.06 0.91 117.51 115.67 1iou h ILE 129 Ca 0.00 -0.37 -0.14 0.00 -0.00 0.00 0.00 64.86 64.35 1iou h ILE 129 Cb 0.68 1.24 0.01 0.00 -0.00 0.00 0.00 36.82 38.75 1iou h ILE 129 CO 0.02 0.08 -0.56 -1.28 -0.00 0.00 0.00 178.15 176.41 1iou h SER 130 N 0.00 0.42 0.80 2.19 0.87 -1.31 -3.30 113.55 113.22 1iou h SER 130 Ca -0.00 -0.83 -0.24 0.00 -1.23 0.00 0.00 61.79 59.49 1iou h SER 130 Cb 0.24 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1iou h SER 130 CO 0.01 1.21 -1.27 0.11 -0.53 0.00 0.00 176.83 176.36 1iou h LYS 131 N -0.31 0.00 0.00 2.24 6.56 -1.15 -3.28 116.57 120.64 1iou h LYS 131 Ca -0.08 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1iou h LYS 131 Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 1iou h LYS 131 CO 0.11 0.81 0.00 0.66 -2.06 0.00 0.00 179.45 178.96 1iou n TYR 132 N -3.23 0.39 -0.55 -1.35 4.02 0.31 -3.46 117.16 113.29 1iou n TYR 132 Ca -0.06 0.18 0.42 0.00 -0.01 0.00 0.00 57.90 58.43 1iou n TYR 132 Cb 0.98 -0.79 0.66 0.00 -0.02 0.00 0.00 39.34 40.18 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 -1.88 -0.01 -1.59 -0.72 6.02 -1.24 -4.41 117.38 113.55 1iou n GLN 133 Ca 0.01 0.95 -0.29 0.00 -0.01 0.00 0.00 57.00 57.65 1iou n GLN 133 Cb 0.09 -2.10 0.10 0.00 1.02 0.00 0.00 30.24 29.35 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iou s ASP 134 N -4.00 4.19 0.31 1.08 1.01 -1.22 -3.70 116.67 114.34 1iou s ASP 134 Ca -0.05 1.14 0.09 0.00 0.71 0.00 0.00 52.55 54.44 1iou s ASP 134 Cb 0.24 -1.80 0.50 0.00 1.01 0.00 0.00 42.92 42.86 1iou s ASP 134 CO 0.74 -2.14 1.71 1.55 0.21 0.00 0.00 175.17 177.24 1iou h PRO 135 N -1.21 0.11 -0.19 8.23 0.13 -1.82 -3.40 132.00 133.86 1iou h PRO 135 Ca -0.48 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.45 1iou h PRO 135 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1iou h PRO 135 CO 0.61 0.56 -0.32 0.43 -0.23 0.00 0.00 178.00 179.04 1iou n SER 136 N -3.99 -2.38 -0.28 1.44 7.64 -1.26 -4.64 113.62 110.15 1iou n SER 136 Ca -0.02 -2.54 0.34 0.00 1.01 0.00 0.00 58.87 57.66 1iou n SER 136 Cb 0.50 1.38 0.65 0.00 -1.01 0.00 0.00 64.21 65.73 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 3.95 0.00 -3.07 1.43 1.08 -1.88 -3.46 115.11 113.16 1iou h GLN 137 Ca -0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1iou h GLN 137 Cb 1.11 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1iou h GLN 137 CO 0.08 0.00 -0.04 0.00 -0.95 0.00 0.00 178.83 177.92 1iou n ALA 138 N -2.53 -3.02 -3.53 3.87 0.00 -1.26 -4.66 120.51 109.39 1iou n ALA 138 Ca 0.25 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 1iou n ALA 138 Cb 1.39 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 20.84 1iou n ALA 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iou n ASP 139 N 0.03 -2.92 -0.14 0.00 8.00 -1.26 -5.26 116.55 115.00 1iou n ASP 139 Ca -0.00 -0.76 0.02 0.00 0.71 0.00 0.00 54.79 54.76 1iou n ASP 139 Cb 0.01 -4.55 0.01 0.00 -0.02 0.00 0.00 41.12 36.57 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81