#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou n ARG 2 N 0.00 -2.68 -1.92 0.03 1.74 -1.26 -4.81 116.66 107.76 1iou n ARG 2 Ca 0.00 2.18 -0.36 0.00 -0.77 0.00 0.00 57.85 58.90 1iou n ARG 2 Cb 0.00 -3.05 0.04 0.00 -1.02 0.00 0.00 32.46 28.44 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1iou s ILE 3 N -4.17 2.56 0.00 0.55 2.07 -1.26 -3.08 121.20 117.87 1iou s ILE 3 Ca 0.00 0.34 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 1iou s ILE 3 Cb 0.00 -3.09 0.00 0.00 0.13 0.00 0.00 42.46 39.50 1iou s ILE 3 CO 0.00 -0.09 0.00 0.00 -1.91 0.00 0.00 174.94 172.94 1iou n TYR 4 N -1.77 0.00 -3.57 3.50 4.11 -1.14 -4.73 117.16 113.56 1iou n TYR 4 Ca 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.88 1iou n TYR 4 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.77 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1iou s TYR 5 N -1.14 -0.50 0.19 -3.48 6.14 -0.25 0.11 117.35 118.42 1iou s TYR 5 Ca 0.00 0.76 -0.15 0.00 0.64 0.00 0.00 57.07 58.32 1iou s TYR 5 Cb 0.00 0.34 0.02 0.00 0.42 0.00 0.00 41.96 42.73 1iou s TYR 5 CO 0.00 -0.59 0.45 0.42 0.64 0.00 0.00 175.55 176.47 1iou s ILE 6 N -1.67 0.04 -5.00 3.14 1.01 0.32 -0.73 121.20 118.31 1iou s ILE 6 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1iou s ILE 6 Cb -0.01 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1iou s ILE 6 CO 0.05 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1iou n GLY 7 N -0.30 -0.52 3.24 6.18 0.00 -0.43 -0.46 105.19 112.90 1iou n GLY 7 Ca -0.09 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.67 1.26 -0.24 1.61 1.01 0.69 -0.54 120.40 121.52 1iou s VAL 8 Ca 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.07 1iou s VAL 8 Cb 0.00 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 34.86 1iou s VAL 8 CO 0.00 -0.55 0.48 -0.36 0.00 0.00 0.00 175.10 174.67 1iou s PHE 9 N -2.61 -1.01 0.17 5.22 0.40 0.28 -0.89 117.98 119.54 1iou s PHE 9 Ca 0.12 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.73 1iou s PHE 9 Cb -0.02 0.38 -0.08 0.00 0.51 0.00 0.00 43.02 43.82 1iou s PHE 9 CO 0.02 -0.61 1.21 -0.98 0.70 0.00 0.00 175.22 175.56 1iou s ARG 10 N 2.69 4.47 -0.70 0.44 1.04 -1.21 -2.42 118.95 123.26 1iou s ARG 10 Ca 0.03 1.88 -0.26 0.00 -1.04 0.00 0.00 55.73 56.34 1iou s ARG 10 Cb -0.13 -3.25 -0.11 0.00 -2.04 0.00 0.00 34.95 29.42 1iou s ARG 10 CO -0.16 -0.12 2.39 -1.12 -0.04 0.00 0.00 175.30 176.24 1iou s SER 11 N 0.27 4.10 0.00 -2.89 0.01 -1.25 -0.97 113.70 112.97 1iou s SER 11 Ca 0.54 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1iou s SER 11 Cb -0.33 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.37 1iou s SER 11 CO 0.36 -3.54 0.00 0.61 0.41 0.00 0.00 173.24 171.08 1iou n GLY 12 N 6.56 -1.03 0.00 3.44 0.00 -0.78 -4.93 105.19 108.45 1iou n GLY 12 Ca 0.43 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 2.64 0.38 0.15 -0.02 0.00 -1.26 -4.71 105.19 102.37 1iou n GLY 13 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1iou n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iou h GLU 14 N 0.00 0.00 0.00 1.61 4.57 -1.99 -3.47 114.58 115.30 1iou h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1iou h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1iou h GLU 14 CO 0.00 0.52 0.00 0.36 -1.18 0.00 0.00 179.01 178.71 1iou n LYS 15 N -3.44 0.00 -3.83 1.92 0.00 -1.26 -5.03 118.16 106.52 1iou n LYS 15 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.02 1iou n LYS 15 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.64 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 -1.69 3.92 0.22 0.58 0.00 -1.16 -1.86 121.76 121.76 1iou s ALA 16 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 1iou s ALA 16 Cb 0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1iou s ALA 16 CO 0.00 0.68 0.71 -1.17 0.00 0.00 0.00 175.76 175.98 1iou s LEU 17 N -2.80 4.34 -1.44 0.00 1.98 -0.14 -4.80 118.68 115.81 1iou s LEU 17 Ca 0.37 1.39 -0.11 0.00 -2.89 0.00 0.00 54.13 52.89 1iou s LEU 17 Cb -0.12 -3.57 -0.05 0.00 0.66 0.00 0.00 46.19 43.10 1iou s LEU 17 CO 0.27 0.03 2.59 -0.62 -1.89 0.00 0.00 176.35 176.74 1iou n GLU 18 N 0.71 3.13 0.00 1.98 1.02 -1.26 -3.35 120.64 122.87 1iou n GLU 18 Ca -0.02 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1iou n GLU 18 Cb 0.51 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1iou n GLU 18 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1iou n LEU 19 N 4.58 0.00 -4.16 -4.62 7.94 -0.58 -4.04 117.00 116.11 1iou n LEU 19 Ca 0.65 0.48 -0.30 0.00 -1.11 0.00 0.00 56.01 55.73 1iou n LEU 19 Cb 0.27 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.05 1iou n LEU 19 CO 0.86 0.00 -0.53 -0.44 -1.11 0.00 0.00 177.39 176.17 1iou s SER 20 N -2.60 2.66 -0.22 1.96 0.01 -0.07 -0.53 113.70 114.91 1iou s SER 20 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1iou s SER 20 Cb 0.00 -1.20 0.05 0.00 0.21 0.00 0.00 66.02 65.08 1iou s SER 20 CO 0.00 0.12 -0.09 -1.61 0.41 0.00 0.00 173.24 172.07 1iou s GLU 21 N 0.43 1.97 -0.02 12.44 2.02 -1.26 -0.22 118.70 134.06 1iou s GLU 21 Ca -0.17 -0.98 0.06 0.00 0.02 0.00 0.00 54.97 53.90 1iou s GLU 21 Cb -0.17 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1iou s GLU 21 CO 0.07 -0.50 -0.20 0.54 0.02 0.00 0.00 175.26 175.19 1iou s VAL 22 N 1.34 1.56 0.13 2.63 0.11 0.39 -4.70 120.40 121.86 1iou s VAL 22 Ca -0.04 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1iou s VAL 22 Cb -0.18 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1iou s VAL 22 CO -0.07 0.44 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.48 1iou s LYS 23 N -0.47 1.02 -0.26 1.54 1.02 -1.26 -0.52 119.74 120.81 1iou s LYS 23 Ca 0.08 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.78 1iou s LYS 23 Cb -0.08 -0.78 0.07 0.00 -0.52 0.00 0.00 37.83 36.52 1iou s LYS 23 CO -0.01 0.13 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.02 1iou s ASP 24 N -2.70 4.11 -0.61 2.83 1.11 0.30 -4.91 116.67 116.81 1iou s ASP 24 Ca 0.11 -1.42 0.05 0.00 0.18 0.00 0.00 52.55 51.47 1iou s ASP 24 Cb -0.02 -1.28 0.17 0.00 1.07 0.00 0.00 42.92 42.86 1iou s ASP 24 CO 0.02 -0.27 0.45 0.18 1.18 0.00 0.00 175.17 176.73 1iou n LEU 25 N 4.58 1.85 0.00 1.23 4.77 -1.26 -4.44 117.00 123.72 1iou n LEU 25 Ca -0.09 -4.93 0.00 0.00 -0.03 0.00 0.00 56.01 50.96 1iou n LEU 25 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1iou n LEU 25 CO 0.18 1.80 0.14 -1.20 -1.33 0.00 0.00 177.39 176.98 1iou n SER 26 N 2.24 0.00 0.24 -1.43 7.64 -1.26 -4.10 113.62 116.95 1iou n SER 26 Ca 0.23 0.28 0.15 0.00 1.01 0.00 0.00 58.87 60.55 1iou n SER 26 Cb 0.39 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.09 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1iou h GLN 27 N 0.00 0.00 -6.04 1.43 4.20 -2.02 -3.40 115.11 109.28 1iou h GLN 27 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1iou h GLN 27 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 1iou h GLN 27 CO 0.00 0.00 1.16 -0.06 -0.67 0.00 0.00 178.83 179.26 1iou s PHE 28 N -3.47 2.08 0.00 2.96 0.40 -1.26 -4.85 117.98 113.84 1iou s PHE 28 Ca 0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1iou s PHE 28 Cb 0.08 -4.37 0.00 0.00 0.51 0.00 0.00 43.02 39.23 1iou s PHE 28 CO 0.58 -2.01 0.00 0.41 0.70 0.00 0.00 175.22 174.90 1iou n GLY 29 N 6.23 2.78 0.00 4.36 0.00 -1.26 -3.02 105.19 114.28 1iou n GLY 29 Ca 0.24 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 -0.57 1.61 1.16 -1.26 0.26 117.46 118.66 1iou n PHE 30 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 1iou n PHE 30 Cb 0.00 -0.35 0.06 0.00 -1.61 0.00 0.00 39.48 37.58 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 -1.35 0.00 0.00 2.97 -1.74 -1.26 -4.81 117.46 111.27 1iou n PHE 31 Ca 0.02 -0.70 0.00 0.00 -0.56 0.00 0.00 57.45 56.21 1iou n PHE 31 Cb 0.05 -0.09 0.00 0.00 1.52 0.00 0.00 39.48 40.95 1iou n PHE 31 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1iou n GLU 32 N -0.90 0.00 -0.34 3.97 -0.58 -0.41 -4.90 120.64 117.48 1iou n GLU 32 Ca 0.07 0.00 0.26 0.00 -0.42 0.00 0.00 57.16 57.07 1iou n GLU 32 Cb 0.45 0.00 0.54 0.00 -0.57 0.00 0.00 31.44 31.86 1iou n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1iou h ARG 33 N 0.00 0.31 0.32 3.49 2.43 0.36 0.82 114.38 122.11 1iou h ARG 33 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1iou h ARG 33 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1iou h ARG 33 CO 0.00 0.21 -0.15 1.03 -1.51 0.00 0.00 179.97 179.54 1iou h SER 34 N 0.32 -0.36 0.48 -3.80 0.87 -1.87 -1.53 113.55 107.65 1iou h SER 34 Ca 0.63 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.07 1iou h SER 34 Cb 1.71 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1iou h SER 34 CO -0.30 0.11 -0.23 0.77 -0.53 0.00 0.00 176.83 176.65 1iou h SER 35 N -1.05 -0.54 -0.44 6.23 4.64 -1.66 -2.55 113.55 118.18 1iou h SER 35 Ca -0.04 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1iou h SER 35 Cb 0.43 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 1iou h SER 35 CO 0.07 -0.32 0.22 0.58 -0.87 0.00 0.00 176.83 176.52 1iou h VAL 36 N -0.74 0.98 -0.47 0.95 2.07 0.46 -0.99 116.25 118.51 1iou h VAL 36 Ca -0.07 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.40 1iou h VAL 36 Cb 0.54 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1iou h VAL 36 CO 0.11 0.08 -0.14 1.23 0.02 0.00 0.00 177.57 178.87 1iou h GLY 37 N 0.45 0.30 1.81 2.17 0.00 -1.23 0.60 103.07 107.17 1iou h GLY 37 Ca 0.19 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1iou h GLY 37 CO -0.12 -0.19 -0.01 -1.61 0.00 0.00 0.00 176.54 174.61 1iou h GLN 38 N -0.02 0.24 -0.56 4.80 5.75 -1.05 -1.60 115.11 122.67 1iou h GLN 38 Ca 0.23 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1iou h GLN 38 Cb 0.37 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1iou h GLN 38 CO -0.50 0.28 -0.03 0.35 -2.65 0.00 0.00 178.83 176.28 1iou h PHE 39 N 0.24 1.11 0.92 3.99 3.04 0.13 -2.13 116.94 124.23 1iou h PHE 39 Ca 0.06 -0.20 -0.05 0.00 3.98 0.00 0.00 57.97 61.76 1iou h PHE 39 Cb 0.19 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.42 1iou h PHE 39 CO 0.00 1.00 -0.44 0.52 -2.02 0.00 0.00 178.31 177.37 1iou h MET 40 N 0.89 -1.19 0.66 1.11 2.86 0.88 -2.32 114.93 117.83 1iou h MET 40 Ca 0.16 0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1iou h MET 40 Cb 0.58 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1iou h MET 40 CO 0.03 -0.79 -0.47 1.15 1.06 0.00 0.00 176.91 177.89 1iou h THR 41 N -1.29 0.00 -0.95 2.22 2.02 -1.49 0.51 112.91 113.93 1iou h THR 41 Ca -0.13 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.34 1iou h THR 41 Cb 0.95 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.20 1iou h THR 41 CO 0.21 0.00 0.25 0.15 0.37 0.00 0.00 175.52 176.50 1iou h PHE 42 N -1.08 0.36 -0.17 3.16 3.57 -1.47 1.09 116.94 122.39 1iou h PHE 42 Ca -0.09 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 1iou h PHE 42 Cb 0.89 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1iou h PHE 42 CO -0.15 -0.33 -0.69 0.35 -2.23 0.00 0.00 178.31 175.26 1iou h PHE 43 N 0.11 0.92 -0.56 0.41 3.57 -1.04 -2.08 116.94 118.28 1iou h PHE 43 Ca 0.64 -0.38 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1iou h PHE 43 Cb 1.41 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1iou h PHE 43 CO -0.27 1.18 -0.02 0.00 -2.23 0.00 0.00 178.31 176.97 1iou h ALA 44 N 0.72 0.92 -0.18 2.41 0.00 0.60 -1.37 119.26 122.35 1iou h ALA 44 Ca -0.03 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1iou h ALA 44 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1iou h ALA 44 CO 0.14 0.64 -0.52 1.05 0.00 0.00 0.00 179.25 180.56 1iou h GLU 45 N 0.89 0.49 0.47 0.00 4.11 0.59 -2.83 114.58 118.30 1iou h GLU 45 Ca 0.16 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 1iou h GLU 45 Cb 0.55 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1iou h GLU 45 CO 0.03 0.89 -0.22 1.15 0.07 0.00 0.00 179.01 180.93 1iou h THR 46 N 0.39 0.52 -0.19 -1.06 2.02 -1.08 -0.73 112.91 112.78 1iou h THR 46 Ca 0.01 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.00 1iou h THR 46 Cb 1.04 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 1iou h THR 46 CO 0.09 0.04 -0.45 -0.37 0.37 0.00 0.00 175.52 175.21 1iou h VAL 47 N -0.76 0.00 -0.52 3.16 -1.51 -1.25 2.12 116.25 117.49 1iou h VAL 47 Ca -0.06 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.56 1iou h VAL 47 Cb 0.54 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.68 1iou h VAL 47 CO 0.11 0.00 0.40 0.00 -1.23 0.00 0.00 177.57 176.85 1iou h ALA 48 N -0.43 2.42 0.03 5.19 0.00 -1.53 1.64 119.26 126.58 1iou h ALA 48 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1iou h ALA 48 Cb 0.53 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.40 -0.67 -1.03 1.03 0.00 0.00 0.00 179.25 178.18 1iou h SER 49 N 0.00 0.63 1.38 0.00 0.87 0.16 -3.24 113.55 113.35 1iou h SER 49 Ca 0.25 -0.53 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 1iou h SER 49 Cb 1.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1iou h SER 49 CO -0.00 1.34 -0.65 0.08 -0.53 0.00 0.00 176.83 177.07 1iou h ARG 50 N 0.25 0.00 -6.30 2.24 0.11 0.70 -3.43 114.38 107.95 1iou h ARG 50 Ca -0.11 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.39 1iou h ARG 50 Cb 1.68 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.67 1iou h ARG 50 CO 0.18 0.35 0.78 0.99 0.10 0.00 0.00 179.97 182.37 1iou s THR 51 N -3.02 4.23 -0.05 0.08 2.01 0.52 -4.90 115.64 114.50 1iou s THR 51 Ca 0.03 0.72 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 1iou s THR 51 Cb 0.08 -4.61 0.03 0.00 0.01 0.00 0.00 72.50 68.00 1iou s THR 51 CO 0.75 -1.15 2.03 0.61 -0.69 0.00 0.00 174.62 176.17 1iou n GLY 52 N 5.04 2.74 1.54 4.40 0.00 -1.26 -4.83 105.19 112.82 1iou n GLY 52 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 1.35 -2.09 -1.00 4.61 0.00 -1.26 -4.76 120.51 117.35 1iou n ALA 53 Ca 0.05 0.50 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 1iou n ALA 53 Cb 0.52 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.77 0.33 3.26 0.00 0.00 -1.20 -4.97 105.19 99.83 1iou n GLY 54 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.71 0.83 0.01 1.61 -1.05 -1.26 -5.04 118.70 113.09 1iou s GLU 55 Ca 0.00 -0.53 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1iou s GLU 55 Cb 0.00 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1iou s GLU 55 CO 0.00 -0.27 0.03 1.03 0.95 0.00 0.00 175.26 177.00 1iou s ARG 56 N -2.67 2.88 -0.03 -4.83 0.52 -1.26 -3.48 118.95 110.08 1iou s ARG 56 Ca -0.04 -0.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1iou s ARG 56 Cb -0.00 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 1iou s ARG 56 CO -0.04 0.63 -0.16 -0.65 0.02 0.00 0.00 175.30 175.09 1iou s GLN 57 N -1.69 1.54 -0.30 3.54 -1.52 -0.65 -4.91 119.66 115.67 1iou s GLN 57 Ca 0.21 -0.58 0.02 0.00 -1.95 0.00 0.00 55.36 53.06 1iou s GLN 57 Cb -0.12 -1.40 0.09 0.00 -0.22 0.00 0.00 33.01 31.36 1iou s GLN 57 CO 0.12 0.28 0.03 -1.12 -0.25 0.00 0.00 175.29 174.36 1iou s SER 58 N -0.12 4.32 -0.48 5.90 0.01 -1.26 0.23 113.70 122.29 1iou s SER 58 Ca 0.00 -1.74 -0.20 0.00 1.31 0.00 0.00 55.95 55.32 1iou s SER 58 Cb -0.09 -1.29 0.04 0.00 0.21 0.00 0.00 66.02 64.89 1iou s SER 58 CO 0.01 -0.35 0.65 0.27 0.41 0.00 0.00 173.24 174.22 1iou s ILE 59 N 1.24 4.83 -0.34 1.44 -4.36 -0.85 -4.79 121.20 118.37 1iou s ILE 59 Ca 0.06 -0.21 -0.14 0.00 -0.26 0.00 0.00 60.65 60.10 1iou s ILE 59 Cb -0.18 -4.27 -0.02 0.00 1.25 0.00 0.00 42.46 39.24 1iou s ILE 59 CO -0.13 -0.74 0.31 -1.61 0.24 0.00 0.00 174.94 173.02 1iou s GLU 60 N 2.78 3.56 -0.25 0.37 2.02 -1.26 0.79 118.70 126.71 1iou s GLU 60 Ca 0.19 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 1iou s GLU 60 Cb -0.17 -3.80 0.09 0.00 0.10 0.00 0.00 34.13 30.35 1iou s GLU 60 CO 0.15 -0.48 0.11 -2.00 0.02 0.00 0.00 175.26 173.06 1iou s GLU 61 N 1.90 0.21 -0.41 1.61 2.56 0.31 -4.95 118.70 119.93 1iou s GLU 61 Ca 0.10 -0.42 -0.21 0.00 0.00 0.00 0.00 54.97 54.43 1iou s GLU 61 Cb -0.17 -1.48 0.03 0.00 2.00 0.00 0.00 34.13 34.51 1iou s GLU 61 CO 0.11 -0.89 0.55 0.41 -0.56 0.00 0.00 175.26 174.89 1iou n GLY 62 N 5.22 -1.06 1.90 -1.50 0.00 -1.26 -2.58 105.19 105.90 1iou n GLY 62 Ca -0.06 1.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.98 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 -0.13 -2.97 -4.11 1.61 3.02 -1.26 -4.91 115.26 106.51 1iou n ASN 63 Ca 0.05 0.27 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 1iou n ASN 63 Cb 0.49 -2.83 -0.14 0.00 -0.61 0.00 0.00 39.78 36.69 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1iou s TYR 64 N -1.99 1.15 0.17 3.10 1.51 -1.07 -4.01 117.35 116.21 1iou s TYR 64 Ca 0.00 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1iou s TYR 64 Cb 0.00 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1iou s TYR 64 CO 0.00 0.01 -0.17 0.42 -1.11 0.00 0.00 175.55 174.70 1iou s ILE 65 N -0.63 1.75 -0.43 2.71 1.01 0.39 0.11 121.20 126.12 1iou s ILE 65 Ca 0.03 -1.98 0.06 0.00 0.00 0.00 0.00 60.65 58.76 1iou s ILE 65 Cb -0.07 -1.86 0.20 0.00 0.01 0.00 0.00 42.46 40.74 1iou s ILE 65 CO 0.00 -0.40 0.43 0.61 0.00 0.00 0.00 174.94 175.59 1iou n GLY 66 N 0.14 2.60 3.54 6.18 0.00 0.24 -0.52 105.19 117.36 1iou n GLY 66 Ca -0.12 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 2.18 -0.27 -3.71 1.61 8.25 0.61 -2.01 115.22 121.88 1iou n HIS 67 Ca 0.26 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.92 1iou n HIS 67 Cb 0.49 -1.92 -0.10 0.00 1.12 0.00 0.00 29.99 29.58 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 -2.33 -0.01 -0.16 1.59 1.01 0.61 -1.02 120.40 120.09 1iou s VAL 68 Ca 0.64 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1iou s VAL 68 Cb -0.25 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.57 1iou s VAL 68 CO 0.61 0.01 0.12 -0.31 0.00 0.00 0.00 175.10 175.53 1iou s TYR 69 N 0.66 0.07 0.26 5.22 1.51 -0.91 -1.63 117.35 122.53 1iou s TYR 69 Ca -0.03 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1iou s TYR 69 Cb -0.05 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 1iou s TYR 69 CO -0.04 -0.49 0.49 0.00 -1.11 0.00 0.00 175.55 174.39 1iou s ALA 70 N 2.19 3.71 1.06 3.71 0.00 -1.23 -1.96 121.76 129.24 1iou s ALA 70 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 1iou s ALA 70 Cb -0.15 -2.16 0.24 0.00 0.00 0.00 0.00 23.12 21.04 1iou s ALA 70 CO -0.09 0.29 1.23 -2.13 0.00 0.00 0.00 175.76 175.06 1iou n ARG 71 N -0.91 -1.71 -0.19 0.00 0.00 -1.26 -4.48 116.66 108.11 1iou n ARG 71 Ca -0.03 -1.92 -0.01 0.00 -0.00 0.00 0.00 57.85 55.89 1iou n ARG 71 Cb 0.54 -1.39 0.09 0.00 0.00 0.00 0.00 32.46 31.70 1iou n ARG 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1iou h SER 72 N -1.94 0.14 -0.06 6.15 0.87 -1.99 -3.17 113.55 113.56 1iou h SER 72 Ca -0.41 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.35 1iou h SER 72 Cb 1.16 0.08 -0.16 0.00 -0.44 0.00 0.00 62.40 63.04 1iou h SER 72 CO 0.29 0.09 -0.05 -0.70 -0.53 0.00 0.00 176.83 175.92 1iou s GLU 73 N -6.11 0.06 0.00 2.24 2.12 -1.26 -4.45 118.70 111.30 1iou s GLU 73 Ca -0.13 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1iou s GLU 73 Cb 0.16 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1iou s GLU 73 CO 0.74 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 1iou n GLY 74 N 3.21 -1.61 3.30 -1.50 0.00 -1.26 -4.99 105.19 102.34 1iou n GLY 74 Ca 0.06 0.78 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 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 3.53 0.40 -0.61 -0.00 -1.26 -3.87 121.20 119.40 1iou s ILE 75 Ca 0.00 -0.72 -0.05 0.00 -0.00 0.00 0.00 60.65 59.88 1iou s ILE 75 Cb 0.00 -2.76 -0.04 0.00 -0.00 0.00 0.00 42.46 39.65 1iou s ILE 75 CO 0.00 0.20 0.69 0.00 -0.00 0.00 0.00 174.94 175.83 1iou s GLY 77 N -3.73 1.71 0.07 0.00 0.00 -0.83 0.99 107.32 105.54 1iou s GLY 77 Ca 0.46 -1.46 0.10 0.00 0.00 0.00 0.00 44.72 43.82 1iou s GLY 77 CO 0.38 -1.46 -0.26 0.14 0.00 0.00 0.00 173.10 171.89 1iou s VAL 78 N -1.45 2.17 -0.24 1.40 1.01 0.30 -2.15 120.40 121.44 1iou s VAL 78 Ca 0.21 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 1iou s VAL 78 Cb -0.09 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.49 1iou s VAL 78 CO 0.12 0.28 0.06 -0.22 0.00 0.00 0.00 175.10 175.34 1iou s LEU 79 N -1.49 1.44 -0.24 3.92 0.20 -0.19 -1.32 118.68 121.00 1iou s LEU 79 Ca 0.12 -1.13 -0.07 0.00 0.69 0.00 0.00 54.13 53.75 1iou s LEU 79 Cb -0.10 -0.65 -0.02 0.00 -0.43 0.00 0.00 46.19 44.98 1iou s LEU 79 CO 0.03 -0.35 0.05 0.27 -0.29 0.00 0.00 176.35 176.06 1iou s ILE 80 N 1.81 4.13 0.16 6.68 -4.36 0.09 0.22 121.20 129.93 1iou s ILE 80 Ca 0.03 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.21 1iou s ILE 80 Cb -0.17 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.61 1iou s ILE 80 CO -0.17 0.36 0.17 1.07 0.24 0.00 0.00 174.94 176.61 1iou n THR 81 N 4.89 0.00 -2.39 8.37 5.66 0.32 -1.09 114.28 130.04 1iou n THR 81 Ca -0.17 -0.98 -0.26 0.00 -3.05 0.00 0.00 64.05 59.60 1iou n THR 81 Cb 0.51 0.53 0.04 0.00 -1.55 0.00 0.00 70.33 69.87 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 -2.04 5.34 0.60 1.09 -1.08 -1.18 0.15 116.67 119.55 1iou s ASP 82 Ca 0.16 0.54 0.30 0.00 -0.52 0.00 0.00 52.55 53.03 1iou s ASP 82 Cb 0.00 -1.43 1.70 0.00 -1.46 0.00 0.00 42.92 41.73 1iou s ASP 82 CO 0.11 -1.22 2.11 0.07 0.52 0.00 0.00 175.17 176.77 1iou h LYS 83 N -0.25 0.00 -1.70 4.34 2.10 -1.86 -1.52 116.57 117.69 1iou h LYS 83 Ca -0.45 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.91 1iou h LYS 83 Cb 1.28 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.49 1iou h LYS 83 CO 0.60 0.00 0.30 1.04 -2.00 0.00 0.00 179.45 179.39 1iou n GLN 84 N -3.72 1.79 -3.41 0.07 1.13 -1.26 -4.55 117.38 107.43 1iou n GLN 84 Ca 0.01 -1.43 -0.27 0.00 -1.94 0.00 0.00 57.00 53.37 1iou n GLN 84 Cb 0.31 -1.63 -0.11 0.00 0.11 0.00 0.00 30.24 28.93 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1iou s TYR 85 N -1.37 0.85 0.32 1.08 6.14 -0.57 -4.70 117.35 119.11 1iou s TYR 85 Ca 0.33 -1.98 -0.20 0.00 0.64 0.00 0.00 57.07 55.86 1iou s TYR 85 Cb 0.23 -0.88 -0.14 0.00 0.42 0.00 0.00 41.96 41.60 1iou s TYR 85 CO -0.04 -0.84 0.15 -2.30 0.64 0.00 0.00 175.55 173.16 1iou n PRO 86 N 3.37 0.00 0.13 4.97 -0.02 -1.26 -4.88 135.00 137.32 1iou n PRO 86 Ca 0.22 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1iou n PRO 86 Cb 0.44 -0.89 0.09 0.00 -0.02 0.00 0.00 33.50 33.11 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 0.40 1.13 0.45 -1.45 2.07 -1.98 -3.29 116.25 113.59 1iou h VAL 87 Ca -0.31 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 64.87 1iou h VAL 87 Cb 1.29 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1iou h VAL 87 CO 0.43 0.59 -0.39 0.03 0.02 0.00 0.00 177.57 178.25 1iou h ARG 88 N 0.00 -0.81 -0.22 1.57 2.47 -1.99 0.10 114.38 115.49 1iou h ARG 88 Ca -0.01 0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 1iou h ARG 88 Cb 1.33 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 1iou h ARG 88 CO 0.08 -0.54 0.16 -1.00 0.56 0.00 0.00 179.97 179.22 1iou h PRO 89 N -0.85 0.02 -0.07 0.04 0.13 -1.95 0.77 132.00 130.09 1iou h PRO 89 Ca -0.04 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1iou h PRO 89 Cb 0.73 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1iou h PRO 89 CO -0.03 0.01 -0.27 0.00 -0.23 0.00 0.00 178.00 177.49 1iou h ALA 90 N 1.89 1.42 -0.46 -0.56 0.00 -1.37 0.28 119.26 120.47 1iou h ALA 90 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1iou h ALA 90 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1iou h ALA 90 CO -0.00 0.41 -0.03 -0.92 0.00 0.00 0.00 179.25 178.72 1iou h TYR 91 N 0.11 0.90 -0.64 0.00 3.20 0.30 0.35 116.97 121.19 1iou h TYR 91 Ca 0.02 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1iou h TYR 91 Cb 0.54 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1iou h TYR 91 CO 0.00 0.88 0.42 1.15 -1.64 0.00 0.00 178.16 178.97 1iou h THR 92 N 0.67 1.17 -0.40 1.81 2.02 -0.42 -0.65 112.91 117.11 1iou h THR 92 Ca 0.13 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1iou h THR 92 Cb 0.54 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1iou h THR 92 CO 0.03 0.17 0.17 0.25 0.37 0.00 0.00 175.52 176.51 1iou h LEU 93 N 0.87 0.54 -2.33 2.58 6.46 -0.60 -0.15 115.31 122.68 1iou h LEU 93 Ca 0.24 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1iou h LEU 93 Cb -0.08 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 1iou h LEU 93 CO -0.05 0.54 0.18 0.25 -0.62 0.00 0.00 178.44 178.74 1iou h LEU 94 N 0.50 0.00 0.05 2.25 7.12 0.36 0.23 115.31 125.83 1iou h LEU 94 Ca 0.13 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1iou h LEU 94 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1iou h LEU 94 CO -0.01 0.00 -0.03 -1.13 -0.13 0.00 0.00 178.44 177.14 1iou h ASN 95 N 0.00 -0.06 -0.82 1.25 -0.73 0.48 -2.43 115.58 113.28 1iou h ASN 95 Ca 0.06 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.29 1iou h ASN 95 Cb 0.42 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.97 1iou h ASN 95 CO -0.00 0.08 0.53 0.11 -0.37 0.00 0.00 177.43 177.78 1iou h LYS 96 N -0.31 0.88 0.44 6.67 1.79 -1.18 -1.23 116.57 123.63 1iou h LYS 96 Ca -0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1iou h LYS 96 Cb 0.05 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1iou h LYS 96 CO 0.01 0.58 -0.21 0.97 -1.08 0.00 0.00 179.45 179.72 1iou h ILE 97 N 0.90 0.49 -0.24 1.86 2.10 -0.68 0.16 117.51 122.10 1iou h ILE 97 Ca 0.35 -0.44 0.05 0.00 1.08 0.00 0.00 64.86 65.90 1iou h ILE 97 Cb 0.21 0.67 -0.04 0.00 -1.09 0.00 0.00 36.82 36.57 1iou h ILE 97 CO -0.12 0.07 -0.04 -0.07 -1.08 0.00 0.00 178.15 176.90 1iou h LEU 98 N -0.87 -0.19 -2.09 2.19 -0.00 -1.26 0.40 115.31 113.49 1iou h LEU 98 Ca -0.06 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1iou h LEU 98 Cb 0.57 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1iou h LEU 98 CO 0.10 -0.06 -0.08 0.44 -0.00 0.00 0.00 178.44 178.84 1iou h ASP 99 N 0.02 0.00 0.01 -0.43 3.32 -1.25 -2.25 116.42 115.85 1iou h ASP 99 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1iou h ASP 99 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1iou h ASP 99 CO -0.23 0.08 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.28 1iou h GLU 100 N 0.00 -0.02 -0.27 3.56 4.57 0.20 -2.17 114.58 120.45 1iou h GLU 100 Ca -0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1iou h GLU 100 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1iou h GLU 100 CO 0.01 0.70 0.18 -0.92 -1.18 0.00 0.00 179.01 177.80 1iou h TYR 101 N -0.77 0.19 0.01 0.92 5.03 -0.02 -1.18 116.97 121.14 1iou h TYR 101 Ca -0.00 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 1iou h TYR 101 Cb 0.72 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 1iou h TYR 101 CO 0.18 0.11 -0.91 -0.07 -1.32 0.00 0.00 178.16 176.15 1iou h LEU 102 N 0.20 0.25 -0.08 2.82 3.38 -1.44 -3.32 115.31 117.12 1iou h LEU 102 Ca 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1iou h LEU 102 Cb 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1iou h LEU 102 CO -0.02 1.03 -0.02 0.58 0.09 0.00 0.00 178.44 180.11 1iou h VAL 103 N 0.10 1.29 -0.01 1.22 2.07 -0.55 -2.81 116.25 117.56 1iou h VAL 103 Ca -0.05 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1iou h VAL 103 Cb 1.56 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1iou h VAL 103 CO 0.14 0.25 0.69 0.00 0.02 0.00 0.00 177.57 178.67 1iou h ALA 104 N 0.68 1.70 -1.29 1.67 0.00 -1.52 -3.39 119.26 117.11 1iou h ALA 104 Ca 0.02 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1iou h ALA 104 Cb 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.90 1iou h ALA 104 CO 0.01 -0.69 0.57 -3.38 0.00 0.00 0.00 179.25 175.76 1iou s HIS 105 N -4.05 -0.31 0.68 0.00 0.00 -1.06 -5.14 115.29 105.40 1iou s HIS 105 Ca -0.02 0.62 -0.13 0.00 -3.00 0.00 0.00 55.06 52.54 1iou s HIS 105 Cb 0.04 0.19 -0.11 0.00 -4.00 0.00 0.00 32.58 28.70 1iou s HIS 105 CO 0.14 -0.15 -0.52 -2.30 -1.00 0.00 0.00 174.74 170.90 1iou n PRO 106 N 3.37 0.00 -0.11 -0.38 -0.02 -1.22 -4.58 135.00 132.06 1iou n PRO 106 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.57 -0.73 -0.07 0.00 -0.02 0.00 0.00 33.50 33.25 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 -0.63 -0.27 0.00 -0.52 1.79 -1.97 -1.68 116.57 113.30 1iou h LYS 107 Ca -0.32 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1iou h LYS 107 Cb 0.97 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1iou h LYS 107 CO 0.19 -0.18 -0.02 0.93 -1.08 0.00 0.00 179.45 179.29 1iou h GLU 108 N -0.28 0.00 -0.62 3.15 5.08 -1.98 -2.72 114.58 117.22 1iou h GLU 108 Ca 0.05 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1iou h GLU 108 Cb 0.43 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1iou h GLU 108 CO -0.44 0.02 -0.07 0.93 -1.00 0.00 0.00 179.01 178.45 1iou h GLU 109 N 0.00 0.05 0.13 2.33 4.39 -1.58 -2.52 114.58 117.39 1iou h GLU 109 Ca -0.00 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1iou h GLU 109 Cb 0.03 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1iou h GLU 109 CO 0.00 0.04 -1.10 0.11 -1.16 0.00 0.00 179.01 176.90 1iou h TRP 110 N 0.06 0.51 -5.33 4.33 5.08 -1.59 -3.47 115.95 115.53 1iou h TRP 110 Ca 0.31 -0.37 -0.05 0.00 1.08 0.00 0.00 58.89 59.87 1iou h TRP 110 Cb 0.50 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1iou h TRP 110 CO -0.43 1.43 -0.07 0.00 -1.28 0.00 0.00 178.44 178.08 1iou n ALA 111 N -2.81 -1.08 -1.78 0.11 0.00 -0.95 -0.43 120.51 113.57 1iou n ALA 111 Ca -0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1iou n ALA 111 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 0.12 -3.16 -4.77 0.00 9.92 -1.26 -4.98 116.55 112.41 1iou n ASP 112 Ca -0.02 0.06 -0.40 0.00 -0.53 0.00 0.00 54.79 53.90 1iou n ASP 112 Cb 0.05 -1.86 -0.00 0.00 -0.64 0.00 0.00 41.12 38.67 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 -1.98 2.47 -0.57 2.53 1.01 0.43 -4.91 120.40 119.37 1iou s VAL 113 Ca 0.03 0.43 0.16 0.00 0.00 0.00 0.00 61.98 62.59 1iou s VAL 113 Cb -0.01 -3.25 0.77 0.00 0.00 0.00 0.00 36.38 33.89 1iou s VAL 113 CO 0.15 0.07 1.69 0.35 0.00 0.00 0.00 175.10 177.36 1iou n THR 114 N 0.09 2.40 0.00 3.92 -2.24 -1.26 -4.83 114.28 112.36 1iou n THR 114 Ca 0.04 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1iou n THR 114 Cb 0.43 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1iou n THR 114 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iou n GLU 115 N 0.76 0.00 -3.60 -0.78 0.28 -1.26 -5.09 120.64 110.95 1iou n GLU 115 Ca 0.27 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.16 1iou n GLU 115 Cb 1.07 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.91 1iou n GLU 115 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1iou s THR 116 N 0.00 0.02 -0.23 3.84 2.01 -1.26 -5.07 115.64 114.95 1iou s THR 116 Ca 0.00 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1iou s THR 116 Cb 0.00 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1iou s THR 116 CO 0.00 -0.11 0.60 0.21 -0.69 0.00 0.00 174.62 174.64 1iou s ASN 117 N -2.81 -0.69 0.60 3.53 3.84 0.31 -4.14 114.94 115.58 1iou s ASN 117 Ca 0.05 1.26 0.40 0.00 0.21 0.00 0.00 52.86 54.77 1iou s ASN 117 Cb -0.01 1.22 2.16 0.00 -0.55 0.00 0.00 41.25 44.07 1iou s ASN 117 CO -0.08 -0.22 2.23 -0.78 -2.79 0.00 0.00 177.10 175.46 1iou h ASP 118 N 5.84 0.00 -0.00 -4.21 1.82 -1.72 -1.43 116.42 116.71 1iou h ASP 118 Ca -0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1iou h ASP 118 Cb 1.18 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 1iou h ASP 118 CO 0.15 0.00 0.03 0.00 -1.61 0.00 0.00 179.24 177.81 1iou h ALA 119 N 2.00 1.09 0.05 -0.78 0.00 -1.90 -2.51 119.26 117.22 1iou h ALA 119 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1iou h ALA 119 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1iou h ALA 119 CO 0.00 -0.03 -1.51 1.25 0.00 0.00 0.00 179.25 178.95 1iou h LEU 120 N 0.00 0.16 0.00 0.00 5.85 -1.67 -3.51 115.31 116.14 1iou h LEU 120 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1iou h LEU 120 Cb 0.06 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1iou h LEU 120 CO -0.00 1.62 0.00 2.29 -0.34 0.00 0.00 178.44 182.01 1iou n LYS 121 N -4.10 0.00 -1.85 1.25 0.00 -0.94 -5.00 118.16 107.52 1iou n LYS 121 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 1iou n LYS 121 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1iou n MET 122 N 0.00 0.00 0.13 -1.58 1.56 -1.26 -4.38 117.12 111.58 1iou n MET 122 Ca 0.00 0.00 0.19 0.00 -0.27 0.00 0.00 57.70 57.62 1iou n MET 122 Cb 0.00 -2.70 0.72 0.00 2.15 0.00 0.00 33.22 33.39 1iou n MET 122 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1iou h LYS 123 N 0.00 0.00 0.00 2.12 3.64 -1.94 -2.51 116.57 117.88 1iou h LYS 123 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iou h LYS 123 Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1iou h LYS 123 CO 0.00 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 178.12 1iou n GLN 124 N -3.47 0.00 -0.26 1.90 -0.06 -1.26 0.02 117.38 114.25 1iou n GLN 124 Ca 0.06 0.66 0.15 0.00 -2.00 0.00 0.00 57.00 55.87 1iou n GLN 124 Cb 0.64 -1.50 0.43 0.00 -4.06 0.00 0.00 30.24 25.76 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 0.56 0.84 1.69 8.10 -1.83 0.26 115.31 124.93 1iou h LEU 125 Ca 0.00 0.05 -0.04 0.00 0.11 0.00 0.00 57.88 58.00 1iou h LEU 125 Cb 0.00 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.17 1iou h LEU 125 CO 0.00 0.25 -0.40 0.44 -4.11 0.00 0.00 178.44 174.62 1iou h ASP 126 N 0.57 -0.96 0.16 0.17 5.19 -1.24 0.24 116.42 120.56 1iou h ASP 126 Ca 0.47 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.88 1iou h ASP 126 Cb 0.92 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1iou h ASP 126 CO -0.21 -0.66 -0.10 0.74 -3.12 0.00 0.00 179.24 175.90 1iou h THR 127 N -1.18 0.82 -0.01 0.35 2.02 0.26 -2.25 112.91 112.93 1iou h THR 127 Ca -0.12 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1iou h THR 127 Cb 0.87 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1iou h THR 127 CO 0.19 0.10 -0.03 1.88 0.37 0.00 0.00 175.52 178.03 1iou h TYR 128 N 0.00 0.05 -0.29 3.16 0.05 -0.16 -1.89 116.97 117.89 1iou h TYR 128 Ca -0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1iou h TYR 128 Cb 0.20 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1iou h TYR 128 CO 0.00 0.66 0.11 0.97 -1.05 0.00 0.00 178.16 178.85 1iou h ILE 129 N -0.58 1.12 -0.07 -2.88 -0.00 -0.27 1.23 117.51 116.05 1iou h ILE 129 Ca -0.00 -0.38 -0.24 0.00 -0.00 0.00 0.00 64.86 64.24 1iou h ILE 129 Cb 0.66 0.78 0.01 0.00 -0.00 0.00 0.00 36.82 38.27 1iou h ILE 129 CO 0.01 0.14 -0.89 -1.28 -0.00 0.00 0.00 178.15 176.13 1iou h SER 130 N 0.41 0.83 1.32 2.19 0.87 -1.44 -3.18 113.55 114.55 1iou h SER 130 Ca 0.10 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1iou h SER 130 Cb 0.10 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1iou h SER 130 CO -0.01 1.40 -0.37 0.11 -0.53 0.00 0.00 176.83 177.43 1iou h LYS 131 N 0.42 0.00 0.00 2.24 6.56 -0.79 -3.29 116.57 121.71 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 1.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.18 1iou h LYS 131 CO 0.17 0.00 -0.08 0.66 -2.06 0.00 0.00 179.45 178.14 1iou n TYR 132 N -2.48 0.48 -0.53 -1.35 4.01 0.42 -4.11 117.16 113.61 1iou n TYR 132 Ca 0.04 0.14 -0.10 0.00 -0.16 0.00 0.00 57.90 57.82 1iou n TYR 132 Cb 0.48 -0.71 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 1iou n TYR 132 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iou n GLN 133 N -1.91 1.22 -4.13 -0.72 10.64 -1.21 -4.61 117.38 116.66 1iou n GLN 133 Ca 0.06 -0.75 -0.29 0.00 -1.83 0.00 0.00 57.00 54.20 1iou n GLN 133 Cb 0.39 -1.94 -0.09 0.00 -0.86 0.00 0.00 30.24 27.74 1iou n GLN 133 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1iou n ASP 134 N 3.25 0.65 0.04 2.61 5.68 -1.26 -4.81 116.55 122.70 1iou n ASP 134 Ca 0.26 -1.14 -0.22 0.00 -0.50 0.00 0.00 54.79 53.19 1iou n ASP 134 Cb 0.34 -1.42 -0.14 0.00 -1.14 0.00 0.00 41.12 38.75 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1iou h PRO 135 N -1.43 0.32 0.00 0.11 0.13 -1.82 -3.41 132.00 125.90 1iou h PRO 135 Ca -0.58 -0.55 -0.12 0.00 -0.87 0.00 0.00 66.00 63.87 1iou h PRO 135 Cb 1.25 0.21 -0.25 0.00 0.13 0.00 0.00 31.00 32.34 1iou h PRO 135 CO 0.65 1.26 -0.81 0.43 -0.23 0.00 0.00 178.00 179.30 1iou n SER 136 N -3.53 0.56 -2.38 1.44 7.64 -1.26 -4.98 113.62 111.11 1iou n SER 136 Ca -0.29 -1.97 -0.14 0.00 1.01 0.00 0.00 58.87 57.48 1iou n SER 136 Cb 1.06 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 64.02 1iou n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 137 N 0.31 -2.08 -4.05 1.43 6.02 -1.26 -1.82 117.38 115.92 1iou n GLN 137 Ca 0.02 0.69 -0.27 0.00 -0.01 0.00 0.00 57.00 57.43 1iou n GLN 137 Cb 0.97 -5.28 -0.04 0.00 1.02 0.00 0.00 30.24 26.91 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iou n ALA 138 N -2.05 -1.98 -3.28 -1.58 0.00 -1.26 -2.03 120.51 108.33 1iou n ALA 138 Ca -0.17 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1iou n ALA 138 Cb 0.62 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.95 -6.47 -0.73 0.00 -0.08 -0.76 -5.18 116.55 100.39 1iou n ASP 139 Ca -0.30 -0.73 0.13 0.00 -1.51 0.00 0.00 54.79 52.38 1iou n ASP 139 Cb 0.68 -5.09 0.31 0.00 2.34 0.00 0.00 41.12 39.36 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32