#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 0.44 0.66 0.03 0.52 -1.26 -4.82 118.95 114.52 1iou s ARG 2 Ca 0.00 0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 55.79 1iou s ARG 2 Cb 0.00 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.56 1iou s ARG 2 CO 0.00 -0.09 1.19 -1.50 0.02 0.00 0.00 175.30 174.92 1iou s ILE 3 N 1.33 2.60 -0.09 1.52 2.07 -1.22 -2.86 121.20 124.55 1iou s ILE 3 Ca -0.09 0.32 -0.05 0.00 -1.41 0.00 0.00 60.65 59.43 1iou s ILE 3 Cb -0.04 -2.98 -0.04 0.00 0.13 0.00 0.00 42.46 39.53 1iou s ILE 3 CO -0.15 -0.13 -0.12 -1.22 -1.91 0.00 0.00 174.94 171.41 1iou n TYR 4 N -2.17 0.00 -3.94 3.50 4.02 -0.88 -4.82 117.16 112.88 1iou n TYR 4 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.93 1iou n TYR 4 Cb 0.50 -0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.41 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1iou s TYR 5 N -2.18 0.31 0.19 -0.72 6.14 0.91 0.15 117.35 122.15 1iou s TYR 5 Ca -0.13 -0.75 -0.16 0.00 0.64 0.00 0.00 57.07 56.66 1iou s TYR 5 Cb 0.05 -0.15 0.02 0.00 0.42 0.00 0.00 41.96 42.30 1iou s TYR 5 CO 0.17 -0.54 0.49 0.42 0.64 0.00 0.00 175.55 176.73 1iou s ILE 6 N -3.90 0.03 -5.00 3.14 1.01 0.17 -0.04 121.20 116.61 1iou s ILE 6 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1iou s ILE 6 Cb 0.05 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1iou s ILE 6 CO -0.08 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1iou n GLY 7 N -0.33 -0.41 3.26 6.18 0.00 -0.60 -0.13 105.19 113.16 1iou n GLY 7 Ca -0.09 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.53 0.05 -0.28 1.61 1.01 -0.45 -1.87 120.40 116.94 1iou s VAL 8 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1iou s VAL 8 Cb 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.86 1iou s VAL 8 CO 0.00 -0.24 0.61 -0.36 0.00 0.00 0.00 175.10 175.11 1iou s PHE 9 N -1.31 -1.19 0.48 5.22 0.40 0.23 0.74 117.98 122.55 1iou s PHE 9 Ca -0.13 2.14 -0.20 0.00 -0.60 0.00 0.00 56.93 58.14 1iou s PHE 9 Cb -0.05 0.68 -0.09 0.00 0.51 0.00 0.00 43.02 44.08 1iou s PHE 9 CO 0.05 -0.61 1.03 0.50 0.70 0.00 0.00 175.22 176.89 1iou s ARG 10 N 2.59 3.86 -0.74 0.44 3.00 -0.50 -3.51 118.95 124.08 1iou s ARG 10 Ca -0.06 1.32 -0.26 0.00 -1.00 0.00 0.00 55.73 55.73 1iou s ARG 10 Cb -0.11 -2.11 0.02 0.00 0.00 0.00 0.00 34.95 32.76 1iou s ARG 10 CO -0.18 -0.38 1.44 -1.54 0.00 0.00 0.00 175.30 174.64 1iou s SER 11 N -2.02 5.97 -0.18 -2.12 1.04 -1.23 0.14 113.70 115.30 1iou s SER 11 Ca 0.66 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 1iou s SER 11 Cb -0.15 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.46 1iou s SER 11 CO 0.19 -1.95 -0.01 -0.83 0.98 0.00 0.00 173.24 171.62 1iou s GLY 12 N 4.89 0.86 0.00 7.32 0.00 -1.11 -4.90 107.32 114.38 1iou s GLY 12 Ca 0.44 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1iou s GLY 12 CO 0.14 1.15 0.00 0.61 0.00 0.00 0.00 173.10 174.99 1iou n GLY 13 N 4.94 -0.16 0.13 0.20 0.00 -1.26 -3.25 105.19 105.78 1iou n GLY 13 Ca -0.10 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.15 -2.68 1.61 2.13 -1.26 -4.74 120.64 115.86 1iou n GLU 14 Ca 0.00 0.49 -0.08 0.00 0.66 0.00 0.00 57.16 58.23 1iou n GLU 14 Cb 0.00 -1.86 -0.02 0.00 0.27 0.00 0.00 31.44 29.83 1iou n GLU 14 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iou n LYS 15 N -2.16 1.65 -4.87 5.31 -0.00 -1.20 -4.90 118.16 111.98 1iou n LYS 15 Ca 0.01 -0.94 -0.33 0.00 -0.00 0.00 0.00 58.31 57.05 1iou n LYS 15 Cb 0.15 0.26 -0.14 0.00 -0.00 0.00 0.00 35.03 35.30 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 -2.22 2.59 -0.72 0.58 0.00 -1.21 -2.73 121.76 118.05 1iou s ALA 16 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1iou s ALA 16 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1iou s ALA 16 CO 0.00 0.38 1.99 -1.17 0.00 0.00 0.00 175.76 176.96 1iou s LEU 17 N -0.09 3.22 -0.85 0.00 1.98 0.36 -4.80 118.68 118.50 1iou s LEU 17 Ca -0.02 0.02 -0.23 0.00 -2.89 0.00 0.00 54.13 51.01 1iou s LEU 17 Cb -0.14 -2.54 -0.21 0.00 0.66 0.00 0.00 46.19 43.97 1iou s LEU 17 CO 0.04 -2.68 2.42 -0.62 -1.89 0.00 0.00 176.35 173.62 1iou n GLU 18 N 9.02 0.33 0.00 1.98 4.71 -1.26 -1.42 120.64 134.01 1iou n GLU 18 Ca 0.31 -0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1iou n GLU 18 Cb 0.50 -2.22 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1iou n LEU 19 N 11.93 0.29 -4.31 -4.62 4.77 0.23 -3.12 117.00 122.17 1iou n LEU 19 Ca 0.57 0.62 -0.17 0.00 -0.03 0.00 0.00 56.01 56.99 1iou n LEU 19 Cb 0.25 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 1iou n LEU 19 CO 0.86 -0.42 -0.44 -0.94 -1.33 0.00 0.00 177.39 175.12 1iou s SER 20 N -2.40 2.31 -0.15 -1.43 1.04 -0.54 -0.73 113.70 111.80 1iou s SER 20 Ca 0.00 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.40 1iou s SER 20 Cb 0.00 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.09 1iou s SER 20 CO 0.00 -0.20 0.17 -1.61 0.98 0.00 0.00 173.24 172.58 1iou s GLU 21 N -3.51 0.11 -0.08 4.02 8.01 -1.26 -1.35 118.70 124.64 1iou s GLU 21 Ca 0.19 0.29 0.05 0.00 0.01 0.00 0.00 54.97 55.52 1iou s GLU 21 Cb -0.01 -0.95 -0.01 0.00 -4.31 0.00 0.00 34.13 28.86 1iou s GLU 21 CO 0.05 -0.52 -0.24 0.54 0.01 0.00 0.00 175.26 175.09 1iou s VAL 22 N 2.28 2.04 0.28 2.63 0.11 0.81 -4.91 120.40 123.64 1iou s VAL 22 Ca 0.04 -1.03 0.10 0.00 -2.93 0.00 0.00 61.98 58.16 1iou s VAL 22 Cb -0.14 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 1iou s VAL 22 CO -0.09 0.56 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.67 1iou s LYS 23 N 0.09 2.16 -0.22 1.54 3.01 -1.26 -0.65 119.74 124.41 1iou s LYS 23 Ca -0.11 -1.53 -0.03 0.00 -1.01 0.00 0.00 55.97 53.30 1iou s LYS 23 Cb -0.16 -2.06 0.07 0.00 -1.01 0.00 0.00 37.83 34.67 1iou s LYS 23 CO 0.06 0.32 0.06 0.34 0.51 0.00 0.00 175.35 176.64 1iou s ASP 24 N -3.66 3.15 -0.49 2.83 2.15 0.39 -4.93 116.67 116.12 1iou s ASP 24 Ca 0.32 -1.01 0.03 0.00 0.43 0.00 0.00 52.55 52.33 1iou s ASP 24 Cb -0.05 -0.60 0.16 0.00 -0.30 0.00 0.00 42.92 42.12 1iou s ASP 24 CO 0.19 -0.34 0.33 -0.76 -0.17 0.00 0.00 175.17 174.42 1iou s LEU 25 N 1.85 2.62 -0.01 -1.34 1.43 -1.26 -4.60 118.68 117.37 1iou s LEU 25 Ca 0.02 -3.04 0.13 0.00 -1.03 0.00 0.00 54.13 50.21 1iou s LEU 25 Cb -0.17 -0.92 -0.16 0.00 0.03 0.00 0.00 46.19 44.97 1iou s LEU 25 CO -0.14 -0.19 0.46 -1.20 0.23 0.00 0.00 176.35 175.51 1iou n SER 26 N 2.97 1.07 -0.01 2.29 7.64 -1.26 -4.62 113.62 121.69 1iou n SER 26 Ca 0.19 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1iou n SER 26 Cb 0.39 1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 64.76 1iou n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 27 N -1.53 1.74 -2.70 1.43 6.02 -1.26 -5.00 117.38 116.08 1iou n GLN 27 Ca 0.01 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1iou n GLN 27 Cb 0.25 -1.12 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 1iou n GLN 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iou s PHE 28 N -2.24 3.64 1.05 1.08 0.08 -1.26 -5.02 117.98 115.31 1iou s PHE 28 Ca -0.02 1.68 -0.14 0.00 0.12 0.00 0.00 56.93 58.57 1iou s PHE 28 Cb 0.02 -3.13 0.22 0.00 -0.57 0.00 0.00 43.02 39.56 1iou s PHE 28 CO 0.21 -0.05 0.50 0.41 -0.10 0.00 0.00 175.22 176.18 1iou n GLY 29 N 2.93 -2.31 0.26 4.36 0.00 -1.26 -3.93 105.19 105.23 1iou n GLY 29 Ca 0.06 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.95 1.01 0.00 1.61 0.04 -1.98 0.84 116.94 115.50 1iou h PHE 30 Ca -0.23 -0.21 -0.13 0.00 2.80 0.00 0.00 57.97 60.20 1iou h PHE 30 Cb 0.76 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1iou h PHE 30 CO 0.00 0.98 -0.85 0.74 -0.60 0.00 0.00 178.31 178.58 1iou h PHE 31 N 0.74 0.00 0.11 -0.55 0.04 -2.02 -3.32 116.94 111.94 1iou h PHE 31 Ca 0.12 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.71 1iou h PHE 31 Cb 0.65 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.81 1iou h PHE 31 CO 0.05 0.55 -0.87 0.93 -0.60 0.00 0.00 178.31 178.38 1iou h GLU 32 N 0.00 0.23 -1.02 1.51 3.07 -1.83 -3.30 114.58 113.24 1iou h GLU 32 Ca -0.06 -0.40 0.25 0.00 -0.50 0.00 0.00 59.36 58.65 1iou h GLU 32 Cb 1.47 0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 29.43 1iou h GLU 32 CO 0.06 1.19 0.64 0.07 -1.40 0.00 0.00 179.01 179.57 1iou h ARG 33 N -0.47 0.48 0.06 2.33 0.11 0.58 0.28 114.38 117.76 1iou h ARG 33 Ca -0.17 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.88 1iou h ARG 33 Cb 1.57 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.54 1iou h ARG 33 CO 0.09 0.32 -0.03 1.03 0.10 0.00 0.00 179.97 181.48 1iou h SER 34 N 0.50 -0.07 -0.68 0.08 0.87 -1.67 0.51 113.55 113.09 1iou h SER 34 Ca 0.60 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1iou h SER 34 Cb 1.33 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1iou h SER 34 CO -0.35 0.08 0.37 0.28 -0.53 0.00 0.00 176.83 176.68 1iou h SER 35 N -0.22 0.86 -0.44 6.23 0.02 -0.98 -2.31 113.55 116.71 1iou h SER 35 Ca -0.01 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 1iou h SER 35 Cb 0.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1iou h SER 35 CO 0.01 0.71 -0.08 0.58 -1.14 0.00 0.00 176.83 176.91 1iou h VAL 36 N 0.94 1.26 -0.27 2.27 2.07 -0.36 -2.11 116.25 120.04 1iou h VAL 36 Ca 0.24 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1iou h VAL 36 Cb 0.04 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1iou h VAL 36 CO -0.04 0.41 -0.08 1.23 0.02 0.00 0.00 177.57 179.11 1iou h GLY 37 N 0.97 0.18 1.44 2.17 0.00 0.55 0.64 103.07 109.03 1iou h GLY 37 Ca 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1iou h GLY 37 CO 0.04 -0.11 0.26 1.46 0.00 0.00 0.00 176.54 178.19 1iou h GLN 38 N -0.02 0.73 -0.64 4.80 4.20 -1.32 -1.29 115.11 121.58 1iou h GLN 38 Ca 0.13 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1iou h GLN 38 Cb 0.22 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1iou h GLN 38 CO -0.29 0.56 0.23 0.35 -0.67 0.00 0.00 178.83 179.01 1iou h PHE 39 N 0.73 1.00 0.83 2.96 3.04 -0.23 0.63 116.94 125.91 1iou h PHE 39 Ca 0.19 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 1iou h PHE 39 Cb 0.07 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 38.29 1iou h PHE 39 CO 0.01 0.80 -0.40 0.52 -2.02 0.00 0.00 178.31 177.22 1iou h MET 40 N 0.91 -1.07 0.46 1.11 2.86 0.12 -2.23 114.93 117.09 1iou h MET 40 Ca 0.21 0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1iou h MET 40 Cb 0.25 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1iou h MET 40 CO -0.01 -0.71 -0.22 1.15 1.06 0.00 0.00 176.91 178.18 1iou h THR 41 N -1.26 0.54 -0.94 2.22 2.02 -1.29 0.77 112.91 114.96 1iou h THR 41 Ca -0.11 -0.10 0.28 0.00 0.77 0.00 0.00 66.41 67.25 1iou h THR 41 Cb 0.86 0.59 -0.15 0.00 -1.74 0.00 0.00 68.15 67.71 1iou h THR 41 CO 0.19 0.02 0.39 0.15 0.37 0.00 0.00 175.52 176.63 1iou h PHE 42 N -0.68 0.61 -0.02 3.16 3.57 -0.96 1.73 116.94 124.35 1iou h PHE 42 Ca -0.06 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1iou h PHE 42 Cb 0.51 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1iou h PHE 42 CO -0.03 -0.21 -0.66 0.35 -2.23 0.00 0.00 178.31 175.53 1iou h PHE 43 N 0.25 0.13 -0.13 0.41 3.57 -1.08 -2.51 116.94 117.58 1iou h PHE 43 Ca 0.64 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.88 1iou h PHE 43 Cb 1.40 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.13 1iou h PHE 43 CO -0.15 0.73 -0.77 0.00 -2.23 0.00 0.00 178.31 175.88 1iou h ALA 44 N 1.26 0.39 -0.54 2.41 0.00 0.46 -2.54 119.26 120.69 1iou h ALA 44 Ca -0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 1iou h ALA 44 Cb 1.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1iou h ALA 44 CO 0.09 0.71 -0.10 1.05 0.00 0.00 0.00 179.25 181.00 1iou h GLU 45 N 0.46 1.02 0.43 0.00 4.11 0.88 -2.70 114.58 118.78 1iou h GLU 45 Ca -0.05 -0.37 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 1iou h GLU 45 Cb 1.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1iou h GLU 45 CO 0.15 1.06 -0.20 1.15 0.07 0.00 0.00 179.01 181.24 1iou h THR 46 N 0.91 0.58 -0.22 -1.06 2.02 -1.44 -1.17 112.91 112.54 1iou h THR 46 Ca 0.14 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 1iou h THR 46 Cb 0.67 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1iou h THR 46 CO 0.05 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 175.14 1iou h VAL 47 N -0.57 0.00 -0.76 3.16 -1.51 -1.37 1.15 116.25 116.35 1iou h VAL 47 Ca -0.06 0.00 0.22 0.00 -1.23 0.00 0.00 66.70 65.63 1iou h VAL 47 Cb 0.44 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.57 1iou h VAL 47 CO 0.10 0.00 0.55 0.00 -1.23 0.00 0.00 177.57 176.98 1iou h ALA 48 N -0.44 2.71 -0.26 5.19 0.00 -1.46 1.27 119.26 126.27 1iou h ALA 48 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1iou h ALA 48 Cb 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1iou h ALA 48 CO -0.40 -0.93 -0.53 1.03 0.00 0.00 0.00 179.25 178.42 1iou h SER 49 N 0.01 0.85 0.62 0.00 0.87 0.14 -2.87 113.55 113.17 1iou h SER 49 Ca 0.36 -0.44 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1iou h SER 49 Cb 1.44 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1iou h SER 49 CO -0.01 1.21 -0.65 0.03 -0.53 0.00 0.00 176.83 176.89 1iou h ARG 50 N 0.59 0.02 -6.53 2.24 3.08 0.93 -3.41 114.38 111.30 1iou h ARG 50 Ca 0.02 -0.01 -0.56 0.00 0.07 0.00 0.00 59.98 59.50 1iou h ARG 50 Cb 1.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 1iou h ARG 50 CO 0.11 0.66 0.94 0.99 -1.07 0.00 0.00 179.97 181.60 1iou s THR 51 N -3.56 4.05 -0.21 2.04 2.01 0.35 -4.89 115.64 115.44 1iou s THR 51 Ca -0.01 0.87 -0.00 0.00 0.31 0.00 0.00 61.69 62.86 1iou s THR 51 Cb 0.12 -4.71 0.15 0.00 0.01 0.00 0.00 72.50 68.08 1iou s THR 51 CO 0.77 -1.31 1.95 0.61 -0.69 0.00 0.00 174.62 175.95 1iou n GLY 52 N 5.05 3.52 1.46 4.40 0.00 -1.26 -4.73 105.19 113.63 1iou n GLY 52 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.65 -1.87 -0.93 4.61 0.00 -1.26 -4.78 120.51 116.93 1iou n ALA 53 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1iou n ALA 53 Cb 0.58 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.72 1.01 3.26 0.00 0.00 -0.70 -4.97 105.19 102.06 1iou n GLY 54 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 1.12 0.33 1.61 -1.05 -1.26 -4.99 118.70 114.41 1iou s GLU 55 Ca 0.00 -1.39 0.09 0.00 -0.15 0.00 0.00 54.97 53.53 1iou s GLU 55 Cb 0.00 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 1iou s GLU 55 CO 0.00 -0.38 -0.10 -0.98 0.95 0.00 0.00 175.26 174.75 1iou s ARG 56 N -4.05 1.77 0.14 -4.83 1.70 -1.26 -2.16 118.95 110.26 1iou s ARG 56 Ca 0.25 -1.90 0.01 0.00 -0.47 0.00 0.00 55.73 53.62 1iou s ARG 56 Cb 0.05 -1.64 -0.04 0.00 -0.57 0.00 0.00 34.95 32.75 1iou s ARG 56 CO 0.04 0.15 0.01 -0.65 -1.08 0.00 0.00 175.30 173.77 1iou s GLN 57 N -3.61 0.97 -0.28 3.89 -1.52 -0.68 -4.93 119.66 113.49 1iou s GLN 57 Ca 0.32 -1.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.28 1iou s GLN 57 Cb 0.02 -0.04 0.14 0.00 -0.22 0.00 0.00 33.01 32.91 1iou s GLN 57 CO 0.16 -0.16 0.36 0.45 -0.25 0.00 0.00 175.29 175.84 1iou s SER 58 N -3.09 0.87 -0.54 5.90 0.15 -1.26 0.16 113.70 115.89 1iou s SER 58 Ca 0.21 -0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.23 1iou s SER 58 Cb 0.07 0.86 0.06 0.00 -1.71 0.00 0.00 66.02 65.29 1iou s SER 58 CO 0.01 -0.36 0.78 0.27 1.20 0.00 0.00 173.24 175.14 1iou s ILE 59 N 2.47 4.64 -0.44 6.45 -4.36 -0.97 -4.84 121.20 124.16 1iou s ILE 59 Ca 0.10 -0.22 -0.17 0.00 -0.26 0.00 0.00 60.65 60.10 1iou s ILE 59 Cb -0.14 -4.43 0.04 0.00 1.25 0.00 0.00 42.46 39.18 1iou s ILE 59 CO -0.28 -0.99 0.43 -0.70 0.24 0.00 0.00 174.94 173.63 1iou s GLU 60 N 3.24 3.05 0.44 0.37 2.12 -1.26 -0.54 118.70 126.12 1iou s GLU 60 Ca 0.21 -0.93 0.06 0.00 0.36 0.00 0.00 54.97 54.67 1iou s GLU 60 Cb -0.17 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 1iou s GLU 60 CO 0.14 -0.91 0.13 -2.00 -0.54 0.00 0.00 175.26 172.08 1iou s GLU 61 N 2.03 2.15 -0.57 4.30 2.12 -0.59 -5.00 118.70 123.14 1iou s GLU 61 Ca 0.10 -2.03 -0.06 0.00 0.36 0.00 0.00 54.97 53.34 1iou s GLU 61 Cb -0.19 -1.83 -0.14 0.00 0.26 0.00 0.00 34.13 32.24 1iou s GLU 61 CO 0.11 -0.20 2.67 0.41 -0.54 0.00 0.00 175.26 177.72 1iou n GLY 62 N -1.23 3.01 0.37 -1.50 0.00 -1.26 -3.15 105.19 101.42 1iou n GLY 62 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 3.24 0.00 -3.01 1.61 5.03 -1.26 -5.17 115.26 115.70 1iou n ASN 63 Ca 0.45 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.86 1iou n ASN 63 Cb 0.45 0.09 0.02 0.00 -1.02 0.00 0.00 39.78 39.32 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1iou n TYR 64 N -1.55 -1.43 -4.17 3.10 0.18 -1.19 -4.77 117.16 107.33 1iou n TYR 64 Ca 0.00 -1.23 -0.22 0.00 1.88 0.00 0.00 57.90 58.32 1iou n TYR 64 Cb 0.00 0.60 -0.05 0.00 -0.38 0.00 0.00 39.34 39.51 1iou n TYR 64 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1iou s ILE 65 N -2.12 4.12 -0.42 -3.48 1.01 0.46 -1.54 121.20 119.23 1iou s ILE 65 Ca 0.20 -1.56 0.06 0.00 0.00 0.00 0.00 60.65 59.34 1iou s ILE 65 Cb -0.03 -3.22 0.21 0.00 0.01 0.00 0.00 42.46 39.43 1iou s ILE 65 CO 0.06 -0.35 0.44 0.61 0.00 0.00 0.00 174.94 175.70 1iou n GLY 66 N -1.06 2.63 3.53 6.18 0.00 0.29 -0.50 105.19 116.26 1iou n GLY 66 Ca -0.07 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 2.09 -0.39 -3.71 1.61 8.25 0.54 -2.28 115.22 121.34 1iou n HIS 67 Ca 0.26 0.26 -0.14 0.00 -0.26 0.00 0.00 57.72 57.84 1iou n HIS 67 Cb 0.49 -1.86 -0.09 0.00 1.12 0.00 0.00 29.99 29.66 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 -2.50 0.02 -0.20 1.59 1.01 0.42 -1.09 120.40 119.66 1iou s VAL 68 Ca 0.63 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1iou s VAL 68 Cb -0.22 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.60 1iou s VAL 68 CO 0.63 -0.10 0.32 -0.31 0.00 0.00 0.00 175.10 175.64 1iou s TYR 69 N -0.55 -0.59 0.17 5.22 1.51 -0.99 -1.69 117.35 120.42 1iou s TYR 69 Ca -0.07 0.84 0.05 0.00 -1.01 0.00 0.00 57.07 56.88 1iou s TYR 69 Cb -0.03 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 1iou s TYR 69 CO 0.03 -0.56 0.12 0.00 -1.11 0.00 0.00 175.55 174.03 1iou s ALA 70 N 2.47 3.53 0.51 3.71 0.00 -0.92 -2.25 121.76 128.82 1iou s ALA 70 Ca 0.06 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 50.87 1iou s ALA 70 Cb -0.14 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.74 1iou s ALA 70 CO -0.13 0.50 0.66 0.54 0.00 0.00 0.00 175.76 177.33 1iou n ARG 71 N -0.33 0.67 -1.09 0.00 5.12 -1.25 -4.15 116.66 115.63 1iou n ARG 71 Ca -0.08 -2.84 -0.24 0.00 -1.93 0.00 0.00 57.85 52.75 1iou n ARG 71 Cb 0.55 -0.12 0.11 0.00 -1.16 0.00 0.00 32.46 31.84 1iou n ARG 71 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1iou n SER 72 N -2.31 5.23 -0.01 0.55 3.41 -1.26 -1.73 113.62 117.50 1iou n SER 72 Ca 0.12 -3.43 -0.02 0.00 -0.26 0.00 0.00 58.87 55.28 1iou n SER 72 Cb 0.54 -0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iou n GLU 73 N -0.70 0.05 0.00 4.33 -0.58 -1.26 -5.03 120.64 117.45 1iou n GLU 73 Ca 0.51 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1iou n GLU 73 Cb 1.11 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 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 3.05 0.64 3.42 0.62 0.00 -1.26 -4.88 105.19 106.78 1iou n GLY 74 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1iou n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1iou s ILE 75 N 0.00 3.90 0.27 -0.61 2.07 -1.26 -3.53 121.20 122.04 1iou s ILE 75 Ca 0.00 -0.33 0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1iou s ILE 75 Cb 0.00 -2.77 -0.05 0.00 0.13 0.00 0.00 42.46 39.77 1iou s ILE 75 CO 0.00 0.42 -0.19 0.00 -1.91 0.00 0.00 174.94 173.26 1iou s GLY 77 N -3.43 2.08 0.09 0.00 0.00 -0.95 -0.60 107.32 104.50 1iou s GLY 77 Ca 0.29 -2.00 0.08 0.00 0.00 0.00 0.00 44.72 43.09 1iou s GLY 77 CO 0.15 -1.99 -0.21 0.14 0.00 0.00 0.00 173.10 171.19 1iou s VAL 78 N -2.56 1.71 -0.22 1.40 1.01 -0.78 -2.34 120.40 118.61 1iou s VAL 78 Ca 0.32 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1iou s VAL 78 Cb -0.00 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.91 1iou s VAL 78 CO 0.16 -0.00 0.05 -0.22 0.00 0.00 0.00 175.10 175.09 1iou s LEU 79 N -1.76 1.35 -0.26 3.92 0.20 -0.25 -1.55 118.68 120.33 1iou s LEU 79 Ca 0.07 -1.01 -0.07 0.00 0.69 0.00 0.00 54.13 53.81 1iou s LEU 79 Cb -0.10 -0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 45.01 1iou s LEU 79 CO 0.04 -0.33 0.06 0.27 -0.29 0.00 0.00 176.35 176.09 1iou s ILE 80 N 1.82 4.06 0.31 6.68 -0.00 0.95 0.20 121.20 135.22 1iou s ILE 80 Ca 0.02 -0.42 0.01 0.00 -0.00 0.00 0.00 60.65 60.26 1iou s ILE 80 Cb -0.17 -2.97 -0.02 0.00 -0.00 0.00 0.00 42.46 39.30 1iou s ILE 80 CO -0.13 0.25 0.34 0.28 -0.00 0.00 0.00 174.94 175.67 1iou s THR 81 N 1.55 0.00 0.97 8.37 -1.32 0.35 -0.06 115.64 125.50 1iou s THR 81 Ca 0.05 -1.82 -0.12 0.00 -1.21 0.00 0.00 61.69 58.59 1iou s THR 81 Cb -0.16 -2.54 0.17 0.00 -1.51 0.00 0.00 72.50 68.47 1iou s THR 81 CO 0.02 0.00 1.09 -0.62 -2.21 0.00 0.00 174.62 172.90 1iou s ASP 82 N -3.27 2.81 0.54 8.08 -1.08 -1.14 0.18 116.67 122.79 1iou s ASP 82 Ca 0.36 1.47 0.36 0.00 -0.52 0.00 0.00 52.55 54.22 1iou s ASP 82 Cb 0.02 -2.14 1.86 0.00 -1.46 0.00 0.00 42.92 41.20 1iou s ASP 82 CO 0.22 -3.05 2.10 0.50 0.52 0.00 0.00 175.17 175.45 1iou h LYS 83 N -1.83 0.00 -0.96 4.34 3.64 -1.87 -1.55 116.57 118.34 1iou h LYS 83 Ca -0.52 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.68 1iou h LYS 83 Cb 1.30 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.02 1iou h LYS 83 CO 0.54 0.00 0.22 1.04 -2.27 0.00 0.00 179.45 178.98 1iou n GLN 84 N -2.84 1.79 -3.58 1.90 1.13 -1.26 -4.45 117.38 110.07 1iou n GLN 84 Ca -0.02 -1.32 -0.27 0.00 -1.94 0.00 0.00 57.00 53.46 1iou n GLN 84 Cb 0.12 -1.58 -0.10 0.00 0.11 0.00 0.00 30.24 28.79 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 -0.11 1.54 -0.97 1.08 4.19 -0.58 -4.53 117.16 117.77 1iou n TYR 85 Ca 0.23 -3.88 -0.37 0.00 3.31 0.00 0.00 57.90 57.20 1iou n TYR 85 Cb 0.94 -0.30 0.05 0.00 0.49 0.00 0.00 39.34 40.52 1iou n TYR 85 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1iou n PRO 86 N 2.00 -0.08 0.12 2.98 -0.02 -1.26 -4.83 135.00 133.91 1iou n PRO 86 Ca 0.25 -0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1iou n PRO 86 Cb 0.42 -1.08 0.03 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.08 1.16 0.06 -1.45 2.07 -1.97 -3.22 116.25 111.82 1iou h VAL 87 Ca -0.43 -2.49 0.02 0.00 0.82 0.00 0.00 66.70 64.62 1iou h VAL 87 Cb 1.33 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.54 1iou h VAL 87 CO 0.24 0.63 -0.22 0.03 0.02 0.00 0.00 177.57 178.27 1iou h ARG 88 N 0.00 -0.37 -0.34 1.57 2.47 -1.98 0.83 114.38 116.56 1iou h ARG 88 Ca -0.01 0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 1iou h ARG 88 Cb 1.42 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.81 1iou h ARG 88 CO 0.08 -0.25 -0.20 -1.35 0.56 0.00 0.00 179.97 178.82 1iou h PRO 89 N -0.38 0.64 0.00 0.04 0.11 -1.87 -0.90 132.00 129.64 1iou h PRO 89 Ca 0.04 -0.24 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1iou h PRO 89 Cb 0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1iou h PRO 89 CO -0.16 0.80 -0.16 0.00 -0.21 0.00 0.00 178.00 178.27 1iou h ALA 90 N 1.21 1.48 -0.29 -0.75 0.00 -1.43 0.27 119.26 119.74 1iou h ALA 90 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1iou h ALA 90 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1iou h ALA 90 CO 0.05 0.20 -0.10 -0.92 0.00 0.00 0.00 179.25 178.48 1iou h TYR 91 N 0.00 0.65 -0.25 0.00 5.03 0.20 0.42 116.97 123.02 1iou h TYR 91 Ca -0.00 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 1iou h TYR 91 Cb 0.34 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1iou h TYR 91 CO 0.00 0.79 0.13 1.15 -1.32 0.00 0.00 178.16 178.90 1iou h THR 92 N 0.33 1.13 -0.25 1.81 2.02 -0.21 0.23 112.91 117.96 1iou h THR 92 Ca 0.07 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1iou h THR 92 Cb 0.59 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1iou h THR 92 CO 0.03 0.13 0.12 0.25 0.37 0.00 0.00 175.52 176.43 1iou h LEU 93 N 0.28 0.33 -0.45 2.58 6.46 -0.43 -0.72 115.31 123.36 1iou h LEU 93 Ca 0.09 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1iou h LEU 93 Cb 0.09 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1iou h LEU 93 CO -0.01 0.36 0.00 0.18 -0.62 0.00 0.00 178.44 178.35 1iou n LEU 94 N -4.82 0.36 -0.05 2.25 7.99 0.14 -1.25 117.00 121.63 1iou n LEU 94 Ca -0.03 0.60 -0.14 0.00 -0.01 0.00 0.00 56.01 56.44 1iou n LEU 94 Cb 0.10 -0.56 -0.12 0.00 -0.11 0.00 0.00 43.42 42.72 1iou n LEU 94 CO 0.35 -0.48 0.47 -1.13 -1.51 0.00 0.00 177.39 175.09 1iou h ASN 95 N 0.00 0.01 -0.23 -1.43 -0.73 0.97 -2.46 115.58 111.71 1iou h ASN 95 Ca 0.00 -0.83 -0.11 0.00 1.87 0.00 0.00 56.30 57.23 1iou h ASN 95 Cb 0.26 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.85 1iou h ASN 95 CO 0.00 0.83 -0.28 0.11 -0.37 0.00 0.00 177.43 177.72 1iou h LYS 96 N -0.82 0.61 0.30 6.67 1.79 -1.12 -2.48 116.57 121.52 1iou h LYS 96 Ca -0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1iou h LYS 96 Cb 0.83 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 1iou h LYS 96 CO 0.00 0.94 -0.29 0.97 -1.08 0.00 0.00 179.45 180.00 1iou h ILE 97 N 0.31 0.39 -0.12 1.86 2.10 -1.30 1.66 117.51 122.41 1iou h ILE 97 Ca 0.03 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.01 1iou h ILE 97 Cb 0.86 0.39 -0.04 0.00 -1.09 0.00 0.00 36.82 36.94 1iou h ILE 97 CO 0.07 0.00 -0.11 -0.07 -1.08 0.00 0.00 178.15 176.95 1iou h LEU 98 N -0.62 -0.36 -1.64 2.19 -0.00 -1.51 0.88 115.31 114.26 1iou h LEU 98 Ca -0.01 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1iou h LEU 98 Cb 0.56 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 1iou h LEU 98 CO -0.05 -0.15 -0.20 0.44 -0.00 0.00 0.00 178.44 178.47 1iou h ASP 99 N -0.14 0.00 0.31 -0.43 3.32 -1.24 -1.53 116.42 116.71 1iou h ASP 99 Ca 0.08 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 1iou h ASP 99 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1iou h ASP 99 CO -0.20 0.20 -0.71 -0.08 -1.72 0.00 0.00 179.24 176.73 1iou h GLU 100 N 0.00 0.35 -0.13 3.56 4.57 0.46 -1.10 114.58 122.29 1iou h GLU 100 Ca -0.00 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1iou h GLU 100 Cb 0.43 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1iou h GLU 100 CO 0.03 0.92 -0.35 -0.92 -1.18 0.00 0.00 179.01 177.50 1iou h TYR 101 N 0.24 0.30 0.02 0.92 5.03 0.17 -1.48 116.97 122.17 1iou h TYR 101 Ca -0.03 -0.07 -0.22 0.00 2.58 0.00 0.00 58.73 61.00 1iou h TYR 101 Cb 1.28 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 1iou h TYR 101 CO 0.04 0.59 -0.95 -0.07 -1.32 0.00 0.00 178.16 176.45 1iou h LEU 102 N 0.23 0.34 0.05 2.82 3.38 -1.21 -3.35 115.31 117.57 1iou h LEU 102 Ca 0.03 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1iou h LEU 102 Cb 0.74 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iou h LEU 102 CO 0.06 1.11 -0.02 0.58 0.09 0.00 0.00 178.44 180.26 1iou h VAL 103 N 0.13 1.30 -0.07 1.22 2.07 -0.93 -3.05 116.25 116.92 1iou h VAL 103 Ca -0.06 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1iou h VAL 103 Cb 1.60 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1iou h VAL 103 CO 0.15 0.31 0.73 0.00 0.02 0.00 0.00 177.57 178.77 1iou h ALA 104 N 0.27 1.79 -1.27 1.67 0.00 -1.40 -3.38 119.26 116.94 1iou h ALA 104 Ca -0.01 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1iou h ALA 104 Cb 0.55 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.06 1iou h ALA 104 CO 0.01 -0.76 0.51 -3.38 0.00 0.00 0.00 179.25 175.62 1iou s HIS 105 N -4.08 -0.38 0.81 0.00 0.00 -1.16 -5.13 115.29 105.36 1iou s HIS 105 Ca -0.02 0.75 -0.22 0.00 -3.00 0.00 0.00 55.06 52.57 1iou s HIS 105 Cb 0.05 0.23 -0.16 0.00 -4.00 0.00 0.00 32.58 28.70 1iou s HIS 105 CO 0.16 -0.19 -1.21 -2.30 -1.00 0.00 0.00 174.74 170.19 1iou n PRO 106 N 3.62 0.00 0.04 -0.38 -0.02 -1.20 -4.48 135.00 132.58 1iou n PRO 106 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.57 -0.81 -0.07 0.00 -0.02 0.00 0.00 33.50 33.16 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 -0.81 -0.45 0.00 -0.52 1.57 -1.96 -2.86 116.57 111.54 1iou h LYS 107 Ca -0.32 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1iou h LYS 107 Cb 1.13 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1iou h LYS 107 CO 0.17 -0.30 -0.26 0.93 -0.57 0.00 0.00 179.45 179.42 1iou h GLU 108 N -0.47 0.00 -0.97 3.15 5.08 -1.98 -1.63 114.58 117.76 1iou h GLU 108 Ca 0.01 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 1iou h GLU 108 Cb 0.50 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.61 1iou h GLU 108 CO -0.24 0.26 0.50 0.93 -1.00 0.00 0.00 179.01 179.46 1iou h GLU 109 N 0.00 0.34 0.00 2.33 4.39 -1.79 -2.97 114.58 116.88 1iou h GLU 109 Ca -0.00 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.32 1iou h GLU 109 Cb 0.55 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1iou h GLU 109 CO 0.03 0.22 -2.18 -2.67 -1.16 0.00 0.00 179.01 173.25 1iou n TRP 110 N -5.06 0.00 -3.90 4.33 4.27 -1.18 -4.88 117.44 111.02 1iou n TRP 110 Ca 0.29 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.62 1iou n TRP 110 Cb 0.87 -0.86 -0.04 0.00 -1.36 0.00 0.00 31.31 29.92 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 -4.25 -1.91 0.00 -1.67 0.00 -0.62 0.29 120.51 112.36 1iou n ALA 111 Ca -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1iou n ALA 111 Cb 0.80 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.74 0.00 0.00 0.00 8.00 -1.26 -4.81 116.55 116.73 1iou n ASP 112 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1iou n ASP 112 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iou n VAL 113 N 0.00 0.00 -0.86 2.53 0.31 0.85 -4.58 118.33 116.58 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 -3.11 2.52 -2.24 -1.26 -4.84 114.28 105.35 1iou n THR 114 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1iou n THR 114 Cb 0.00 -0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1iou n THR 114 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1iou s GLU 115 N -1.26 0.47 0.00 -0.78 -1.05 -1.26 -5.03 118.70 109.78 1iou s GLU 115 Ca 0.00 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.99 1iou s GLU 115 Cb 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1iou s GLU 115 CO 0.00 -0.79 0.00 0.25 0.95 0.00 0.00 175.26 175.67 1iou n THR 116 N 4.86 0.00 -3.45 1.83 -2.24 -1.26 -5.08 114.28 108.94 1iou n THR 116 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1iou n THR 116 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1iou n THR 116 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1iou n ASN 117 N -2.40 0.00 0.20 3.42 2.85 0.09 -4.77 115.26 114.65 1iou n ASN 117 Ca 0.00 -0.58 0.09 0.00 -0.11 0.00 0.00 54.58 53.98 1iou n ASN 117 Cb 0.00 0.00 0.50 0.00 1.24 0.00 0.00 39.78 41.52 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1iou h ASP 118 N 0.00 0.00 0.28 1.20 5.19 -1.87 -2.11 116.42 119.10 1iou h ASP 118 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1iou h ASP 118 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1iou h ASP 118 CO 0.00 0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 175.99 1iou h ALA 119 N 1.38 -0.37 -0.07 3.45 0.00 -1.94 -2.55 119.26 119.16 1iou h ALA 119 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iou h ALA 119 Cb 0.49 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iou h ALA 119 CO 0.00 -0.62 0.18 1.25 0.00 0.00 0.00 179.25 180.06 1iou h LEU 120 N -0.55 0.00 -8.31 0.00 7.12 -1.60 -3.42 115.31 108.55 1iou h LEU 120 Ca -0.04 0.00 -0.67 0.00 0.13 0.00 0.00 57.88 57.30 1iou h LEU 120 Cb 0.41 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1iou h LEU 120 CO 0.06 0.00 1.44 1.17 -0.13 0.00 0.00 178.44 180.98 1iou n LYS 121 N -3.29 0.61 -3.25 1.25 4.81 -0.96 -4.90 118.16 112.42 1iou n LYS 121 Ca -0.01 0.15 -0.36 0.00 -0.87 0.00 0.00 58.31 57.22 1iou n LYS 121 Cb 0.26 -2.11 -0.06 0.00 0.02 0.00 0.00 35.03 33.15 1iou n LYS 121 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iou s MET 122 N 6.56 4.12 0.62 1.64 0.23 -1.26 -4.94 119.30 126.27 1iou s MET 122 Ca 1.15 0.67 0.28 0.00 -1.03 0.00 0.00 55.69 56.76 1iou s MET 122 Cb -1.07 -2.98 1.46 0.00 -1.53 0.00 0.00 34.83 30.70 1iou s MET 122 CO 0.53 0.49 1.85 0.87 -2.03 0.00 0.00 175.02 176.73 1iou h LYS 123 N 3.72 0.00 0.11 3.16 6.56 -1.98 -2.31 116.57 125.84 1iou h LYS 123 Ca -0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.10 1iou h LYS 123 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1iou h LYS 123 CO 0.65 0.00 -0.05 1.96 -2.06 0.00 0.00 179.45 179.95 1iou h GLN 124 N 0.00 -0.15 -0.77 3.15 7.50 -1.97 0.41 115.11 123.28 1iou h GLN 124 Ca 0.13 0.01 0.22 0.00 0.50 0.00 0.00 58.65 59.51 1iou h GLN 124 Cb 1.06 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.59 1iou h GLN 124 CO -0.00 -0.10 0.55 1.37 -1.50 0.00 0.00 178.83 179.15 1iou h LEU 125 N -0.20 0.00 0.11 1.46 8.10 -1.83 0.44 115.31 123.40 1iou h LEU 125 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1iou h LEU 125 Cb 0.12 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.34 1iou h LEU 125 CO 0.03 0.00 -0.05 0.44 -4.11 0.00 0.00 178.44 174.74 1iou h ASP 126 N 0.00 -0.13 -0.21 0.17 3.32 -1.42 -2.36 116.42 115.80 1iou h ASP 126 Ca 0.37 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.34 1iou h ASP 126 Cb 1.47 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1iou h ASP 126 CO -0.00 0.41 0.18 0.74 -1.72 0.00 0.00 179.24 178.84 1iou h THR 127 N -1.02 0.70 0.18 0.35 2.02 0.37 -1.92 112.91 113.57 1iou h THR 127 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1iou h THR 127 Cb 0.25 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1iou h THR 127 CO 0.02 0.00 -0.08 1.88 0.37 0.00 0.00 175.52 177.71 1iou h TYR 128 N 0.00 -0.22 -0.18 3.16 -1.99 -0.21 -2.35 116.97 115.17 1iou h TYR 128 Ca 0.10 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.88 1iou h TYR 128 Cb 0.45 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1iou h TYR 128 CO 0.00 0.19 0.21 0.97 -0.00 0.00 0.00 178.16 179.53 1iou h ILE 129 N -0.89 0.46 0.14 -2.88 -0.00 -0.91 1.22 117.51 114.65 1iou h ILE 129 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 64.86 64.64 1iou h ILE 129 Cb 0.51 0.83 0.02 0.00 -0.00 0.00 0.00 36.82 38.18 1iou h ILE 129 CO 0.04 0.00 -0.90 -1.28 -0.00 0.00 0.00 178.15 176.01 1iou h SER 130 N 0.00 0.46 1.49 2.19 0.87 -1.38 -3.27 113.55 113.91 1iou h SER 130 Ca 0.09 -0.94 -0.02 0.00 -1.23 0.00 0.00 61.79 59.69 1iou h SER 130 Cb 0.50 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1iou h SER 130 CO -0.00 1.43 -0.52 0.11 -0.53 0.00 0.00 176.83 177.31 1iou h LYS 131 N -0.36 0.00 0.00 2.24 6.56 -0.79 -3.30 116.57 120.91 1iou h LYS 131 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1iou h LYS 131 Cb 1.67 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.33 1iou h LYS 131 CO 0.14 0.07 -0.00 0.66 -2.06 0.00 0.00 179.45 178.25 1iou n TYR 132 N -2.94 0.67 -0.59 -1.35 4.02 0.41 -4.04 117.16 113.35 1iou n TYR 132 Ca 0.01 0.20 0.46 0.00 -0.01 0.00 0.00 57.90 58.56 1iou n TYR 132 Cb 0.58 -0.82 0.72 0.00 -0.02 0.00 0.00 39.34 39.80 1iou n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iou n GLN 133 N -2.05 -0.01 -1.35 -0.72 10.64 -1.23 -4.42 117.38 118.24 1iou n GLN 133 Ca 0.06 1.06 -0.29 0.00 -1.83 0.00 0.00 57.00 55.99 1iou n GLN 133 Cb 0.41 -2.32 0.13 0.00 -0.86 0.00 0.00 30.24 27.60 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1iou s ASP 134 N -4.01 3.56 0.60 2.61 1.11 -1.26 -3.41 116.67 115.87 1iou s ASP 134 Ca -0.05 1.28 0.28 0.00 0.18 0.00 0.00 52.55 54.24 1iou s ASP 134 Cb 0.26 -1.95 1.45 0.00 1.07 0.00 0.00 42.92 43.75 1iou s ASP 134 CO 0.81 -2.56 1.85 1.55 1.18 0.00 0.00 175.17 178.01 1iou h PRO 135 N -1.50 0.00 0.00 8.23 0.13 -1.79 -3.41 132.00 133.66 1iou h PRO 135 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1iou h PRO 135 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1iou h PRO 135 CO 0.58 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.78 1iou n SER 136 N -3.57 -3.25 0.00 1.44 7.64 -1.26 -4.65 113.62 109.96 1iou n SER 136 Ca 0.08 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1iou n SER 136 Cb 0.69 3.13 0.00 0.00 -1.01 0.00 0.00 64.21 67.02 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 -3.33 -0.74 -2.87 1.43 7.27 -1.26 -3.33 117.38 114.54 1iou n GLN 137 Ca 0.00 0.19 -0.16 0.00 0.07 0.00 0.00 57.00 57.09 1iou n GLN 137 Cb 0.00 -3.91 -0.00 0.00 2.41 0.00 0.00 30.24 28.74 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 1.00 -0.93 -2.54 1.69 0.00 -1.26 0.47 120.51 118.95 1iou n ALA 138 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1iou n ALA 138 Cb 0.19 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1iou n ALA 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 139 N -2.01 -5.36 0.00 0.00 2.03 -1.21 -5.22 116.55 104.78 1iou n ASP 139 Ca -0.07 -0.10 0.04 0.00 0.52 0.00 0.00 54.79 55.19 1iou n ASP 139 Cb 0.57 -4.35 0.27 0.00 -0.72 0.00 0.00 41.12 36.89 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28