#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 110m s VAL 1 N 0.00 0.12 0.30 3.17 1.01 -1.26 -5.05 120.40 118.69 110m s VAL 1 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 110m s VAL 1 Cb 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 110m s VAL 1 CO 0.00 0.15 0.64 -0.76 0.00 0.00 0.00 175.10 175.13 110m s LEU 2 N 1.26 4.05 0.66 3.92 1.02 -1.26 -5.08 118.68 123.24 110m s LEU 2 Ca -0.07 1.00 -0.07 0.00 0.02 0.00 0.00 54.13 55.01 110m s LEU 2 Cb -0.13 -3.80 0.04 0.00 0.02 0.00 0.00 46.19 42.31 110m s LEU 2 CO -0.02 -0.20 0.98 -0.94 0.02 0.00 0.00 176.35 176.18 110m s SER 3 N -2.69 5.18 0.24 2.29 1.04 -1.26 -4.92 113.70 113.59 110m s SER 3 Ca 0.49 0.62 -0.07 0.00 0.48 0.00 0.00 55.95 57.47 110m s SER 3 Cb -0.11 -1.42 0.25 0.00 0.10 0.00 0.00 66.02 64.84 110m s SER 3 CO 0.25 -1.36 1.91 -0.08 0.98 0.00 0.00 173.24 174.94 110m h GLU 4 N -0.43 1.22 -0.92 4.02 4.57 -1.99 -1.81 114.58 119.23 110m h GLU 4 Ca -0.45 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 57.68 110m h GLU 4 Cb 1.29 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 29.55 110m h GLU 4 CO 0.61 0.80 0.61 0.78 -1.18 0.00 0.00 179.01 180.63 110m h GLY 5 N 1.25 1.32 0.97 1.92 0.00 -1.99 0.15 103.07 106.68 110m h GLY 5 Ca 0.35 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 110m h GLY 5 CO -0.09 0.43 -0.24 0.83 0.00 0.00 0.00 176.54 177.46 110m h GLU 6 N 1.19 0.71 -0.80 4.80 5.08 -1.80 -2.63 114.58 121.14 110m h GLU 6 Ca 0.36 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 110m h GLU 6 Cb -0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 110m h GLU 6 CO -0.10 0.96 0.50 -1.49 -1.00 0.00 0.00 179.01 177.88 110m h TRP 7 N 0.47 1.03 -0.77 4.33 4.06 -0.81 -1.90 115.95 122.37 110m h TRP 7 Ca 0.06 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 110m h TRP 7 Cb 0.80 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 110m h TRP 7 CO 0.07 0.68 0.32 1.96 -3.56 0.00 0.00 178.44 177.90 110m h GLN 8 N 1.10 1.13 -0.47 0.49 1.08 -0.82 0.53 115.11 118.15 110m h GLN 8 Ca 0.29 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 110m h GLN 8 Cb -0.07 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 110m h GLN 8 CO -0.06 0.91 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.56 110m h LEU 9 N 1.11 0.84 0.10 1.46 3.38 -1.05 -0.88 115.31 120.28 110m h LEU 9 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 110m h LEU 9 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 110m h LEU 9 CO -0.02 0.96 -0.05 0.58 0.09 0.00 0.00 178.44 180.00 110m h VAL 10 N 0.77 1.07 0.00 1.22 2.07 -0.80 -2.87 116.25 117.70 110m h VAL 10 Ca 0.13 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 110m h VAL 10 Cb 0.61 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 110m h VAL 10 CO 0.04 0.17 -0.14 -0.07 0.02 0.00 0.00 177.57 177.60 110m h LEU 11 N -0.48 0.00 -0.09 2.57 3.38 -0.88 -1.30 115.31 118.51 110m h LEU 11 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 110m h LEU 11 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 110m h LEU 11 CO 0.02 0.14 -0.11 -0.74 0.09 0.00 0.00 178.44 177.84 110m h HIS 12 N 0.00 0.28 -0.03 1.13 2.76 -1.11 -1.83 115.15 116.35 110m h HIS 12 Ca -0.00 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 57.95 110m h HIS 12 Cb 0.60 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 110m h HIS 12 CO 0.00 0.68 -0.55 -0.24 -1.30 0.00 0.00 177.93 176.52 110m h VAL 13 N -0.20 1.38 -0.12 5.26 3.04 -1.34 -2.98 116.25 121.31 110m h VAL 13 Ca 0.01 -1.88 -0.08 0.00 -1.01 0.00 0.00 66.70 63.75 110m h VAL 13 Cb 0.65 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 110m h VAL 13 CO 0.03 0.54 -0.28 -0.25 -1.01 0.00 0.00 177.57 176.60 110m h TRP 14 N 0.08 0.24 -0.17 3.17 2.91 -1.16 -2.10 115.95 118.91 110m h TRP 14 Ca -0.00 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 110m h TRP 14 Cb 1.00 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 110m h TRP 14 CO 0.01 0.48 0.01 0.00 -1.03 0.00 0.00 178.44 177.91 110m h ALA 15 N 1.53 1.71 -0.07 2.65 0.00 -1.17 -0.27 119.26 123.64 110m h ALA 15 Ca 0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 110m h ALA 15 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 110m h ALA 15 CO 0.04 0.23 -0.42 0.87 0.00 0.00 0.00 179.25 179.97 110m h LYS 16 N 0.24 0.40 -0.90 0.00 1.79 -1.44 -3.13 116.57 113.53 110m h LYS 16 Ca 0.06 -0.34 0.09 0.00 -2.18 0.00 0.00 60.65 58.28 110m h LYS 16 Cb 0.15 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 110m h LYS 16 CO 0.00 0.99 0.55 0.28 -1.08 0.00 0.00 179.45 180.19 110m h VAL 17 N -0.07 0.96 0.00 0.50 2.07 -0.82 -1.63 116.25 117.27 110m h VAL 17 Ca -0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.17 110m h VAL 17 Cb 1.08 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 110m h VAL 17 CO 0.09 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.52 110m h GLU 18 N 0.93 0.00 0.00 1.57 5.08 -1.01 -1.34 114.58 119.81 110m h GLU 18 Ca 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 110m h GLU 18 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 110m h GLU 18 CO -0.23 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.69 110m h ALA 19 N 2.08 1.08 -1.17 3.43 0.00 -1.29 -3.35 119.26 120.04 110m h ALA 19 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 110m h ALA 19 Cb 0.14 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.66 110m h ALA 19 CO 0.00 0.11 -0.75 -3.47 0.00 0.00 0.00 179.25 175.14 110m n ASP 20 N -3.32 -1.71 -0.21 0.00 2.03 -0.51 -5.02 116.55 107.81 110m n ASP 20 Ca -0.01 -2.90 -0.07 0.00 0.52 0.00 0.00 54.79 52.34 110m n ASP 20 Cb 0.29 0.70 0.03 0.00 -0.72 0.00 0.00 41.12 41.42 110m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 110m h VAL 21 N 3.36 1.20 -0.63 5.18 2.07 -1.68 -2.25 116.25 123.49 110m h VAL 21 Ca 0.02 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 110m h VAL 21 Cb 0.98 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 110m h VAL 21 CO 0.31 0.22 0.35 0.00 0.02 0.00 0.00 177.57 178.47 110m h ALA 22 N 1.14 0.81 -0.38 1.67 0.00 -1.91 0.02 119.26 120.61 110m h ALA 22 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 110m h ALA 22 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 110m h ALA 22 CO -0.03 0.32 -0.03 0.78 0.00 0.00 0.00 179.25 180.29 110m h GLY 23 N 0.86 0.74 1.05 0.00 0.00 -1.92 -1.95 103.07 101.85 110m h GLY 23 Ca 0.22 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 110m h GLY 23 CO -0.04 0.53 0.15 0.45 0.00 0.00 0.00 176.54 177.63 110m h HIS 24 N 0.50 1.13 -0.82 5.60 3.86 -1.23 -2.19 115.15 122.00 110m h HIS 24 Ca 0.10 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 110m h HIS 24 Cb 0.52 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 110m h HIS 24 CO 0.04 0.93 0.49 0.78 0.86 0.00 0.00 177.93 181.03 110m h GLY 25 N 1.00 1.19 0.96 2.45 0.00 -0.83 -1.38 103.07 106.46 110m h GLY 25 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 110m h GLY 25 CO 0.00 0.49 -0.22 -1.61 0.00 0.00 0.00 176.54 175.20 110m h GLN 26 N 1.13 -0.60 -0.64 4.80 4.15 -1.22 -1.74 115.11 120.98 110m h GLN 26 Ca 0.29 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.84 110m h GLN 26 Cb -0.04 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.72 110m h GLN 26 CO -0.05 -0.38 0.29 -0.44 -1.93 0.00 0.00 178.83 176.32 110m h ASP 27 N -0.67 0.34 -0.19 -0.69 3.32 -1.17 -1.55 116.42 115.80 110m h ASP 27 Ca -0.06 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 110m h ASP 27 Cb 0.50 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 110m h ASP 27 CO 0.10 0.20 0.01 0.40 -1.72 0.00 0.00 179.24 178.24 110m h ILE 28 N 0.50 1.24 -0.53 0.35 2.04 -1.18 -1.76 117.51 118.18 110m h ILE 28 Ca 0.32 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 110m h ILE 28 Cb 0.35 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 110m h ILE 28 CO -0.27 0.25 -0.07 -0.07 0.00 0.00 0.00 178.15 177.99 110m h LEU 29 N 0.10 0.95 -0.54 1.44 3.38 -1.18 -0.68 115.31 118.79 110m h LEU 29 Ca 0.06 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 110m h LEU 29 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 110m h LEU 29 CO 0.01 1.04 -0.05 0.40 0.09 0.00 0.00 178.44 179.93 110m h ILE 30 N 0.87 1.27 -0.46 1.22 2.04 -1.32 -0.53 117.51 120.60 110m h ILE 30 Ca 0.15 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.83 110m h ILE 30 Cb 0.60 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 110m h ILE 30 CO 0.04 0.42 0.29 -0.09 0.00 0.00 0.00 178.15 178.81 110m h ARG 31 N 0.86 0.61 0.19 2.37 9.65 -1.02 0.57 114.38 127.61 110m h ARG 31 Ca 0.15 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 110m h ARG 31 Cb 0.60 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 110m h ARG 31 CO 0.04 0.43 -0.11 1.25 2.80 0.00 0.00 179.97 184.37 110m h LEU 32 N 0.62 -0.28 -1.34 3.80 5.85 -0.83 -0.37 115.31 122.76 110m h LEU 32 Ca 0.17 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 110m h LEU 32 Cb -0.04 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 110m h LEU 32 CO -0.03 -0.18 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.47 110m h PHE 33 N -0.29 0.27 0.18 1.25 0.04 -0.87 0.64 116.94 118.16 110m h PHE 33 Ca -0.02 -0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.42 110m h PHE 33 Cb 0.24 -0.08 0.03 0.00 2.20 0.00 0.00 35.95 38.35 110m h PHE 33 CO -0.08 0.40 -1.29 0.87 -0.60 0.00 0.00 178.31 177.61 110m h LYS 34 N 0.24 0.55 -0.05 1.51 1.57 -0.67 -3.00 116.57 116.72 110m h LYS 34 Ca 0.05 -0.84 -0.20 0.00 -1.87 0.00 0.00 60.65 57.79 110m h LYS 34 Cb 0.41 0.30 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 110m h LYS 34 CO 0.03 1.39 -0.80 0.77 -0.57 0.00 0.00 179.45 180.26 110m h SER 35 N 0.13 0.49 -2.32 0.86 0.02 -0.96 -3.39 113.55 108.39 110m h SER 35 Ca -0.21 -0.35 -0.58 0.00 -0.84 0.00 0.00 61.79 59.80 110m h SER 35 Cb 1.99 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 64.00 110m h SER 35 CO 0.24 1.11 -0.97 1.41 -1.14 0.00 0.00 176.83 177.49 110m n HIS 36 N -3.80 -0.30 0.01 3.45 8.25 0.21 -4.98 115.22 118.05 110m n HIS 36 Ca -0.05 -3.48 0.23 0.00 -0.26 0.00 0.00 57.72 54.16 110m n HIS 36 Cb 0.75 0.01 0.72 0.00 1.12 0.00 0.00 29.99 32.59 110m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 110m h PRO 37 N 5.13 0.00 0.00 -0.41 0.11 -1.71 -1.00 132.00 134.13 110m h PRO 37 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 110m h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 110m h PRO 37 CO 0.44 0.00 -0.11 1.05 -0.21 0.00 0.00 178.00 179.17 110m h GLU 38 N 0.00 0.00 -0.06 1.05 9.09 -1.92 -2.10 114.58 120.64 110m h GLU 38 Ca 0.27 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.60 110m h GLU 38 Cb 1.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.45 110m h GLU 38 CO -0.00 0.11 -0.33 1.79 0.05 0.00 0.00 179.01 180.63 110m h THR 39 N 0.00 1.26 0.00 -1.06 1.35 -1.52 -2.63 112.91 110.31 110m h THR 39 Ca -0.00 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 110m h THR 39 Cb 0.22 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 110m h THR 39 CO 0.01 0.36 -0.06 0.25 -0.25 0.00 0.00 175.52 175.83 110m h LEU 40 N 0.10 0.00 -2.39 3.87 5.85 -1.54 -2.21 115.31 118.99 110m h LEU 40 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 110m h LEU 40 Cb 0.64 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 110m h LEU 40 CO 0.05 0.06 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.85 110m h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.57 -2.15 114.58 117.20 110m h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 110m h GLU 41 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 110m h GLU 41 CO 0.01 0.02 0.00 0.87 -1.00 0.00 0.00 179.01 178.91 110m h LYS 42 N 0.00 0.00 -4.22 2.33 1.79 -1.56 -3.42 116.57 111.49 110m h LYS 42 Ca -0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 110m h LYS 42 Cb 0.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.59 110m h LYS 42 CO 0.00 0.00 -0.30 -0.06 -1.08 0.00 0.00 179.45 178.02 110m s PHE 43 N -3.21 3.27 0.41 -1.35 0.40 -0.81 -4.92 117.98 111.76 110m s PHE 43 Ca 0.08 -1.20 0.08 0.00 -0.60 0.00 0.00 56.93 55.28 110m s PHE 43 Cb 0.10 -3.45 0.87 0.00 0.51 0.00 0.00 43.02 41.04 110m s PHE 43 CO 0.56 -0.91 2.04 -0.44 0.70 0.00 0.00 175.22 177.17 110m h ASP 44 N 8.76 0.48 1.16 1.36 3.32 -1.84 0.12 116.42 129.78 110m h ASP 44 Ca -0.28 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 110m h ASP 44 Cb 1.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 110m h ASP 44 CO 0.94 0.34 -0.24 0.03 -1.72 0.00 0.00 179.24 178.59 110m h ARG 45 N 0.56 0.00 -0.00 3.56 3.08 -1.95 -3.33 114.38 116.30 110m h ARG 45 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 110m h ARG 45 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 110m h ARG 45 CO -0.04 0.24 -0.04 1.19 -1.07 0.00 0.00 179.97 180.25 110m n PHE 46 N -3.30 0.00 -0.34 3.04 3.72 -0.86 -4.77 117.46 114.94 110m n PHE 46 Ca 0.01 0.00 0.37 0.00 -0.05 0.00 0.00 57.45 57.78 110m n PHE 46 Cb 0.49 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.76 110m n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 110m h LYS 47 N 0.08 0.00 0.00 -1.08 3.64 -0.89 -1.27 116.57 117.05 110m h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 110m h LYS 47 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 110m h LYS 47 CO 0.00 0.00 -0.30 1.12 -2.27 0.00 0.00 179.45 178.00 110m h HIS 48 N 0.00 0.00 -2.47 1.91 2.07 -1.86 -3.46 115.15 111.34 110m h HIS 48 Ca 0.59 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.59 110m h HIS 48 Cb 2.51 0.00 0.03 0.00 2.57 0.00 0.00 27.41 32.52 110m h HIS 48 CO 0.00 0.00 1.16 -0.51 -3.07 0.00 0.00 177.93 175.51 110m s LEU 49 N -4.79 4.41 -0.13 6.12 1.43 -0.48 -4.89 118.68 120.35 110m s LEU 49 Ca 0.08 2.73 0.18 0.00 -1.03 0.00 0.00 54.13 56.09 110m s LEU 49 Cb 0.11 -3.55 -0.25 0.00 0.03 0.00 0.00 46.19 42.52 110m s LEU 49 CO 0.67 -1.03 0.26 0.29 0.23 0.00 0.00 176.35 176.77 110m n LYS 50 N 6.37 0.67 -4.27 1.70 5.02 -1.26 -5.02 118.16 121.37 110m n LYS 50 Ca 0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.33 110m n LYS 50 Cb 0.39 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 110m n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 110m s THR 51 N -2.72 0.65 0.26 -0.18 -4.23 -1.26 -5.04 115.64 103.12 110m s THR 51 Ca -0.09 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 110m s THR 51 Cb 0.08 -2.31 0.18 0.00 1.34 0.00 0.00 72.50 71.78 110m s THR 51 CO 0.84 -0.30 1.84 -0.08 -0.54 0.00 0.00 174.62 176.38 110m h GLU 52 N 2.57 1.01 -0.70 3.99 4.81 -1.99 -1.42 114.58 122.86 110m h GLU 52 Ca -0.37 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 110m h GLU 52 Cb 1.22 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 110m h GLU 52 CO 0.62 0.82 0.42 0.00 -0.73 0.00 0.00 179.01 180.14 110m h ALA 53 N 1.31 0.92 -0.46 2.92 0.00 -1.99 0.26 119.26 122.22 110m h ALA 53 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 110m h ALA 53 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 110m h ALA 53 CO -0.02 0.16 -0.06 0.93 0.00 0.00 0.00 179.25 180.26 110m h GLU 54 N 0.80 0.80 -0.54 0.00 5.08 -1.79 -2.02 114.58 116.92 110m h GLU 54 Ca 0.29 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 110m h GLU 54 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 110m h GLU 54 CO -0.14 0.85 0.09 0.52 -1.00 0.00 0.00 179.01 179.33 110m h MET 55 N 0.74 0.90 -0.19 2.33 2.86 -0.23 -2.41 114.93 118.92 110m h MET 55 Ca 0.13 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 110m h MET 55 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 110m h MET 55 CO 0.03 0.87 -0.12 0.87 1.06 0.00 0.00 176.91 179.62 110m h LYS 56 N 0.79 0.30 0.00 1.72 1.57 -0.21 -2.73 116.57 118.01 110m h LYS 56 Ca 0.16 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 110m h LYS 56 Cb 0.41 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 110m h LYS 56 CO 0.01 0.43 -0.21 0.00 -0.57 0.00 0.00 179.45 179.11 110m n ALA 57 N -2.49 2.59 -2.29 3.86 0.00 -0.79 -4.83 120.51 116.57 110m n ALA 57 Ca -0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 110m n ALA 57 Cb 0.28 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 110m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 110m s SER 58 N -3.95 6.52 0.22 0.00 0.15 -0.93 -4.88 113.70 110.84 110m s SER 58 Ca 0.10 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 110m s SER 58 Cb 0.15 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 62.14 110m s SER 58 CO 0.62 -1.18 1.59 -0.08 1.20 0.00 0.00 173.24 175.39 110m h GLU 59 N 10.01 0.55 -0.60 5.44 4.57 -1.89 -2.63 114.58 130.04 110m h GLU 59 Ca -0.29 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 57.55 110m h GLU 59 Cb 1.12 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 110m h GLU 59 CO 1.02 0.87 0.18 -0.44 -1.18 0.00 0.00 179.01 179.46 110m h ASP 60 N 0.46 0.88 -0.52 1.04 5.19 -1.97 -1.13 116.42 120.37 110m h ASP 60 Ca 0.04 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 110m h ASP 60 Cb 0.91 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 110m h ASP 60 CO 0.08 0.86 0.15 0.25 -3.12 0.00 0.00 179.24 177.46 110m h LEU 61 N 0.85 0.77 -0.89 1.55 6.46 -1.87 -1.61 115.31 120.56 110m h LEU 61 Ca 0.19 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 110m h LEU 61 Cb 0.30 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 110m h LEU 61 CO -0.00 0.78 0.41 0.50 -0.62 0.00 0.00 178.44 179.50 110m h LYS 62 N 0.72 1.20 -0.43 1.25 3.64 -1.29 -0.71 116.57 120.94 110m h LYS 62 Ca 0.17 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 110m h LYS 62 Cb 0.29 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 110m h LYS 62 CO -0.00 0.92 -0.14 0.87 -2.27 0.00 0.00 179.45 178.83 110m h LYS 63 N 1.19 0.79 -0.30 1.90 1.57 -0.94 -2.59 116.57 118.20 110m h LYS 63 Ca 0.29 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 110m h LYS 63 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 110m h LYS 63 CO -0.04 0.89 -0.34 1.25 -0.57 0.00 0.00 179.45 180.64 110m h HIS 64 N 0.71 0.76 -0.60 -1.35 2.76 -0.89 -2.14 115.15 114.41 110m h HIS 64 Ca 0.11 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 110m h HIS 64 Cb 0.63 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 110m h HIS 64 CO 0.03 0.91 0.28 0.78 -1.30 0.00 0.00 177.93 178.63 110m h GLY 65 N 1.00 0.91 0.92 5.26 0.00 -0.85 -0.73 103.07 109.59 110m h GLY 65 Ca 0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 110m h GLY 65 CO 0.07 0.41 0.00 -2.08 0.00 0.00 0.00 176.54 174.94 110m h VAL 66 N 0.85 1.26 -0.50 4.60 2.07 -1.08 -1.25 116.25 122.20 110m h VAL 66 Ca 0.21 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.77 110m h VAL 66 Cb 0.10 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 110m h VAL 66 CO -0.03 0.33 0.30 0.74 0.02 0.00 0.00 177.57 178.93 110m h THR 67 N 0.46 1.05 -0.07 2.57 2.02 -0.78 -0.73 112.91 117.44 110m h THR 67 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 110m h THR 67 Cb 0.46 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 110m h THR 67 CO 0.02 0.11 0.02 0.58 0.37 0.00 0.00 175.52 176.62 110m h VAL 68 N 0.60 1.17 -0.12 3.16 2.07 -1.00 -2.15 116.25 119.97 110m h VAL 68 Ca 0.20 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 110m h VAL 68 Cb 0.02 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 110m h VAL 68 CO -0.09 0.14 -0.29 -0.07 0.02 0.00 0.00 177.57 177.28 110m h LEU 69 N -0.07 0.23 -0.42 2.57 3.38 -1.08 -0.59 115.31 119.32 110m h LEU 69 Ca 0.02 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 110m h LEU 69 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 110m h LEU 69 CO -0.00 0.52 -0.14 0.74 0.09 0.00 0.00 178.44 179.65 110m h THR 70 N 0.20 1.28 -0.41 0.22 2.02 -1.07 0.15 112.91 115.29 110m h THR 70 Ca 0.03 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 110m h THR 70 Cb 0.62 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 110m h THR 70 CO 0.05 0.43 0.03 0.00 0.37 0.00 0.00 175.52 176.39 110m h ALA 71 N 0.84 0.55 -0.60 6.16 0.00 -0.94 -1.83 119.26 123.45 110m h ALA 71 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 110m h ALA 71 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 110m h ALA 71 CO 0.05 0.31 0.09 1.25 0.00 0.00 0.00 179.25 180.95 110m h LEU 72 N 0.55 0.96 -0.79 0.00 5.85 -1.04 -2.79 115.31 118.04 110m h LEU 72 Ca 0.12 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.60 110m h LEU 72 Cb 0.44 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 110m h LEU 72 CO 0.02 0.98 0.51 1.23 -0.34 0.00 0.00 178.44 180.83 110m h GLY 73 N 0.90 1.12 1.28 3.75 0.00 -0.52 -1.12 103.07 108.48 110m h GLY 73 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 110m h GLY 73 CO 0.01 0.36 0.28 0.00 0.00 0.00 0.00 176.54 177.20 110m h ALA 74 N 1.31 1.28 -0.11 3.60 0.00 -1.14 -2.05 119.26 122.14 110m h ALA 74 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 110m h ALA 74 Cb -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 110m h ALA 74 CO -0.09 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.48 110m h ILE 75 N 0.92 1.31 -0.93 0.00 2.04 -1.16 -3.08 117.51 116.61 110m h ILE 75 Ca 0.22 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.02 110m h ILE 75 Cb 0.14 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 110m h ILE 75 CO -0.02 0.30 0.60 -0.07 0.00 0.00 0.00 178.15 178.96 110m h LEU 76 N -0.11 1.09 -1.05 1.44 3.38 -1.03 -2.00 115.31 117.03 110m h LEU 76 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 110m h LEU 76 Cb 0.50 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.98 110m h LEU 76 CO 0.02 0.81 0.00 0.11 0.09 0.00 0.00 178.44 179.46 110m h LYS 77 N 1.27 0.00 0.00 1.13 1.57 -1.34 -1.42 116.57 117.78 110m h LYS 77 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 110m h LYS 77 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 110m h LYS 77 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 110m n LYS 78 N -2.35 0.23 -3.85 3.15 4.76 -0.75 -4.95 118.16 114.40 110m n LYS 78 Ca 0.01 0.23 -0.25 0.00 -2.87 0.00 0.00 58.31 55.42 110m n LYS 78 Cb 0.18 -1.78 0.01 0.00 -1.84 0.00 0.00 35.03 31.60 110m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 110m n LYS 79 N -2.18 -4.54 0.00 1.97 5.02 -0.53 -1.97 118.16 115.92 110m n LYS 79 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 110m n LYS 79 Cb 0.39 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 110m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 110m n GLY 80 N -1.69 3.27 2.54 0.72 0.00 -1.26 -4.96 105.19 103.81 110m n GLY 80 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 110m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 110m n HIS 81 N -1.31 2.64 -0.75 1.61 8.25 -0.83 -4.63 115.22 120.20 110m n HIS 81 Ca 0.00 -2.77 0.08 0.00 -0.26 0.00 0.00 57.72 54.77 110m n HIS 81 Cb 0.00 -1.71 0.21 0.00 1.12 0.00 0.00 29.99 29.61 110m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 110m n HIS 82 N 1.50 0.70 -0.25 4.41 1.44 -1.26 -4.73 115.22 117.02 110m n HIS 82 Ca 0.57 -0.78 0.05 0.00 -2.01 0.00 0.00 57.72 55.56 110m n HIS 82 Cb 0.26 -0.22 0.17 0.00 0.12 0.00 0.00 29.99 30.33 110m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 110m h GLU 83 N 1.62 0.19 -0.38 -1.40 9.09 -2.00 -0.65 114.58 121.05 110m h GLU 83 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 110m h GLU 83 Cb 1.18 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.22 110m h GLU 83 CO 0.14 0.13 0.12 0.00 0.05 0.00 0.00 179.01 179.45 110m h ALA 84 N 1.64 0.50 -0.05 1.06 0.00 -2.00 -2.86 119.26 117.55 110m h ALA 84 Ca 0.41 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 110m h ALA 84 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 110m h ALA 84 CO -0.56 0.14 -0.38 0.93 0.00 0.00 0.00 179.25 179.38 110m h GLU 85 N 0.47 0.10 -0.07 0.00 3.07 -1.78 -3.20 114.58 113.18 110m h GLU 85 Ca 0.12 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 110m h GLU 85 Cb 0.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 110m h GLU 85 CO -0.00 0.47 -0.61 1.25 -1.40 0.00 0.00 179.01 178.72 110m h LEU 86 N 0.09 0.28 0.27 1.33 5.85 -0.92 -3.35 115.31 118.86 110m h LEU 86 Ca 0.01 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.57 110m h LEU 86 Cb 0.72 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 110m h LEU 86 CO 0.05 0.82 -0.43 0.11 -0.34 0.00 0.00 178.44 178.66 110m h LYS 87 N 0.19 -0.74 0.00 1.25 1.57 -1.51 0.06 116.57 117.40 110m h LYS 87 Ca -0.01 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 110m h LYS 87 Cb 1.12 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 110m h LYS 87 CO 0.09 -0.49 -0.28 -1.00 -0.57 0.00 0.00 179.45 177.20 110m h PRO 88 N -0.77 0.00 -0.21 3.15 0.13 -1.76 -1.50 132.00 131.05 110m h PRO 88 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 110m h PRO 88 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 110m h PRO 88 CO -0.16 0.28 -0.19 1.25 -0.23 0.00 0.00 178.00 178.95 110m h LEU 89 N 0.00 0.53 -0.57 1.56 5.85 -1.63 -2.14 115.31 118.91 110m h LEU 89 Ca -0.00 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 110m h LEU 89 Cb 0.50 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 110m h LEU 89 CO 0.04 0.89 -0.07 0.00 -0.34 0.00 0.00 178.44 178.96 110m h ALA 90 N 0.66 0.77 -0.19 1.25 0.00 -0.78 -1.83 119.26 119.14 110m h ALA 90 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 110m h ALA 90 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 110m h ALA 90 CO 0.05 0.66 0.08 0.37 0.00 0.00 0.00 179.25 180.42 110m h GLN 91 N 0.94 0.28 -0.48 0.00 4.15 -1.19 -0.41 115.11 118.39 110m h GLN 91 Ca 0.15 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 110m h GLN 91 Cb 0.64 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 110m h GLN 91 CO 0.04 0.33 -0.17 0.66 -1.93 0.00 0.00 178.83 177.76 110m h SER 92 N 0.17 0.96 1.13 -0.69 4.64 -1.35 -0.96 113.55 117.44 110m h SER 92 Ca 0.06 -0.34 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 110m h SER 92 Cb 0.14 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 110m h SER 92 CO -0.01 1.10 -0.36 0.45 -0.87 0.00 0.00 176.83 177.14 110m h HIS 93 N 0.83 0.00 0.04 4.77 3.86 -1.22 0.28 115.15 123.70 110m h HIS 93 Ca 0.12 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.13 110m h HIS 93 Cb 0.72 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 110m h HIS 93 CO 0.05 0.36 -1.08 0.00 0.86 0.00 0.00 177.93 178.12 110m h ALA 94 N 1.64 0.19 0.11 2.45 0.00 -1.00 0.24 119.26 122.88 110m h ALA 94 Ca -0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 54.91 53.55 110m h ALA 94 Cb 1.02 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 110m h ALA 94 CO 0.05 0.62 -1.75 1.15 0.00 0.00 0.00 179.25 179.32 110m h THR 95 N -0.73 0.77 0.00 0.00 2.02 -1.26 -3.29 112.91 110.42 110m h THR 95 Ca -0.26 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.56 110m h THR 95 Cb 1.42 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 70.35 110m h THR 95 CO -0.07 0.76 -0.51 0.50 0.37 0.00 0.00 175.52 176.58 110m h LYS 96 N -0.17 0.00 0.00 6.66 3.64 -1.34 -3.42 116.57 121.94 110m h LYS 96 Ca -0.38 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 110m h LYS 96 Cb 1.87 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 110m h LYS 96 CO 0.04 0.08 -0.87 0.45 -2.27 0.00 0.00 179.45 176.88 110m h HIS 97 N -1.00 0.00 -5.30 1.91 3.86 -1.16 -3.49 115.15 109.97 110m h HIS 97 Ca -0.03 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.07 110m h HIS 97 Cb 0.52 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.08 110m h HIS 97 CO -0.17 0.80 -0.38 1.63 0.86 0.00 0.00 177.93 180.67 110m n LYS 98 N -3.27 -1.67 -3.61 2.45 5.02 -0.22 -4.99 118.16 111.86 110m n LYS 98 Ca -0.00 1.16 -0.40 0.00 -2.02 0.00 0.00 58.31 57.05 110m n LYS 98 Cb 0.87 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 30.16 110m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 110m s ILE 99 N -3.17 4.61 0.62 -0.18 -1.09 0.66 -5.01 121.20 117.64 110m s ILE 99 Ca 0.20 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 110m s ILE 99 Cb -0.03 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 110m s ILE 99 CO 0.71 -0.13 1.15 -2.16 -1.23 0.00 0.00 174.94 173.28 110m s PRO 100 N 1.58 2.88 0.41 2.79 0.04 -1.26 -4.81 135.00 136.63 110m s PRO 100 Ca 0.03 1.61 0.15 0.00 0.04 0.00 0.00 61.00 62.83 110m s PRO 100 Cb -0.18 -1.94 1.02 0.00 0.04 0.00 0.00 34.50 33.44 110m s PRO 100 CO 0.07 -1.22 1.89 0.82 0.04 0.00 0.00 177.00 178.59 110m h ILE 101 N 0.49 0.76 -0.81 0.56 1.08 -1.92 -0.55 117.51 117.12 110m h ILE 101 Ca -0.49 -0.16 0.15 0.00 -0.39 0.00 0.00 64.86 63.97 110m h ILE 101 Cb 1.27 0.26 -0.10 0.00 -3.07 0.00 0.00 36.82 35.19 110m h ILE 101 CO 0.54 0.08 0.38 0.50 -0.69 0.00 0.00 178.15 178.96 110m h LYS 102 N 0.46 0.52 0.00 2.37 1.63 -1.91 0.10 116.57 119.75 110m h LYS 102 Ca 0.42 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.10 110m h LYS 102 Cb 0.94 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 110m h LYS 102 CO -0.15 0.35 -0.41 1.88 -3.45 0.00 0.00 179.45 177.67 110m h TYR 103 N 0.54 0.00 0.00 1.91 -1.99 -1.45 -1.86 116.97 114.12 110m h TYR 103 Ca 0.44 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.07 110m h TYR 103 Cb 0.65 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 110m h TYR 103 CO -0.12 0.41 -0.50 -0.07 -0.00 0.00 0.00 178.16 177.87 110m h LEU 104 N 0.00 0.00 -0.34 3.88 3.38 -0.97 -2.03 115.31 119.23 110m h LEU 104 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 110m h LEU 104 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 110m h LEU 104 CO 0.05 0.50 -0.36 -0.33 0.09 0.00 0.00 178.44 178.40 110m h GLU 105 N 0.00 0.84 -0.68 1.13 5.08 -0.49 -2.25 114.58 118.21 110m h GLU 105 Ca -0.01 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 110m h GLU 105 Cb 0.94 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 110m h GLU 105 CO 0.07 1.09 0.44 0.74 -1.00 0.00 0.00 179.01 180.35 110m h PHE 106 N 0.62 0.84 0.00 4.33 0.04 -1.07 -1.69 116.94 120.02 110m h PHE 106 Ca 0.05 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.73 110m h PHE 106 Cb 0.94 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 110m h PHE 106 CO 0.07 0.51 -0.54 0.97 -0.60 0.00 0.00 178.31 178.72 110m h ILE 107 N 0.90 1.29 -0.63 -0.55 2.10 -1.34 -2.11 117.51 117.17 110m h ILE 107 Ca 0.26 -1.89 -0.04 0.00 1.08 0.00 0.00 64.86 64.26 110m h ILE 107 Cb -0.07 2.05 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 110m h ILE 107 CO -0.07 0.53 0.23 0.28 -1.08 0.00 0.00 178.15 178.04 110m h SER 108 N 0.00 0.89 -0.66 2.19 0.02 -0.78 -0.60 113.55 114.62 110m h SER 108 Ca -0.01 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 110m h SER 108 Cb 1.00 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 110m h SER 108 CO 0.07 0.83 0.21 -0.08 -1.14 0.00 0.00 176.83 176.72 110m h GLU 109 N 0.89 1.04 -0.36 3.45 4.81 -1.13 -1.62 114.58 121.66 110m h GLU 109 Ca 0.21 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 110m h GLU 109 Cb 0.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 110m h GLU 109 CO -0.01 0.89 -0.25 0.00 -0.73 0.00 0.00 179.01 178.91 110m h ALA 110 N 1.22 0.88 -0.24 2.92 0.00 -0.86 -1.15 119.26 122.03 110m h ALA 110 Ca 0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 110m h ALA 110 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 110m h ALA 110 CO -0.01 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.70 110m h ILE 111 N 0.63 1.25 -0.79 0.00 2.04 -0.77 -1.86 117.51 118.01 110m h ILE 111 Ca 0.08 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 110m h ILE 111 Cb 0.76 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 110m h ILE 111 CO 0.06 0.27 0.39 0.40 0.00 0.00 0.00 178.15 179.27 110m h ILE 112 N 0.20 1.25 -0.32 -0.67 2.04 -1.23 -1.48 117.51 117.29 110m h ILE 112 Ca 0.07 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 110m h ILE 112 Cb 0.39 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 110m h ILE 112 CO 0.01 0.29 0.19 -0.74 0.00 0.00 0.00 178.15 177.90 110m h HIS 113 N 1.11 0.43 -0.50 1.37 2.76 -1.02 -1.15 115.15 118.15 110m h HIS 113 Ca 0.27 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 110m h HIS 113 Cb 0.10 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 110m h HIS 113 CO 0.01 0.32 -0.10 0.28 -1.30 0.00 0.00 177.93 177.14 110m h VAL 114 N 0.41 1.27 -0.56 5.26 2.07 -1.09 -1.71 116.25 121.89 110m h VAL 114 Ca 0.12 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 110m h VAL 114 Cb 0.02 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 110m h VAL 114 CO -0.02 0.43 0.03 -0.07 0.02 0.00 0.00 177.57 177.96 110m h LEU 115 N 0.81 0.91 -0.67 2.57 3.38 -1.14 -0.09 115.31 121.09 110m h LEU 115 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 110m h LEU 115 Cb 0.66 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 110m h LEU 115 CO 0.05 0.96 0.29 -0.74 0.09 0.00 0.00 178.44 179.08 110m h HIS 116 N 0.88 1.00 -0.15 1.13 2.76 -1.08 0.87 115.15 120.57 110m h HIS 116 Ca 0.17 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 110m h HIS 116 Cb 0.47 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.13 110m h HIS 116 CO 0.03 0.77 -0.28 0.77 -1.30 0.00 0.00 177.93 177.92 110m h SER 117 N 0.95 0.50 1.15 3.26 0.02 -0.87 -3.28 113.55 115.28 110m h SER 117 Ca 0.23 -0.55 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 110m h SER 117 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 110m h SER 117 CO -0.02 0.95 -0.89 0.03 -1.14 0.00 0.00 176.83 175.76 110m h ARG 118 N 0.07 0.00 -1.60 3.45 3.08 -1.00 -3.40 114.38 114.97 110m h ARG 118 Ca 0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.57 110m h ARG 118 Cb 0.86 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.51 110m h ARG 118 CO 0.06 0.37 -0.98 0.72 -1.07 0.00 0.00 179.97 179.07 110m n HIS 119 N -3.05 2.00 -0.36 3.04 8.25 0.30 -4.94 115.22 120.45 110m n HIS 119 Ca -0.03 -3.34 0.09 0.00 -0.26 0.00 0.00 57.72 54.18 110m n HIS 119 Cb 0.76 -0.34 0.26 0.00 1.12 0.00 0.00 29.99 31.79 110m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 110m h PRO 120 N 2.89 0.92 0.00 -0.41 0.13 -1.72 0.08 132.00 133.89 110m h PRO 120 Ca 0.09 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 110m h PRO 120 Cb 0.94 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 110m h PRO 120 CO 0.64 0.61 -0.09 0.78 -0.23 0.00 0.00 178.00 179.71 110m h GLY 121 N 0.95 0.00 -0.81 1.56 0.00 -1.92 -2.84 103.07 100.01 110m h GLY 121 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 110m h GLY 121 CO -0.29 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.95 110m n ASN 122 N -3.27 2.78 -2.86 0.19 5.03 -0.48 -4.68 115.26 111.98 110m n ASN 122 Ca -0.00 -2.36 -0.14 0.00 0.87 0.00 0.00 54.58 52.95 110m n ASN 122 Cb 0.31 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 110m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 110m n PHE 123 N -0.25 0.97 -0.94 3.10 7.35 -0.11 -4.66 117.46 122.92 110m n PHE 123 Ca 0.11 -3.23 -0.09 0.00 -0.76 0.00 0.00 57.45 53.49 110m n PHE 123 Cb 0.50 -0.39 0.07 0.00 0.35 0.00 0.00 39.48 40.01 110m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 110m n GLY 124 N 0.04 -1.94 0.18 7.13 0.00 -1.25 -4.62 105.19 104.73 110m n GLY 124 Ca 0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 110m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 110m h ALA 125 N -2.09 0.48 -0.51 4.61 0.00 -1.98 -0.76 119.26 119.01 110m h ALA 125 Ca -0.12 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 110m h ALA 125 Cb 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 110m h ALA 125 CO 0.08 -0.30 0.18 -0.44 0.00 0.00 0.00 179.25 178.77 110m h ASP 126 N 0.23 0.72 -0.71 0.00 3.32 -1.99 -1.00 116.42 116.99 110m h ASP 126 Ca 0.21 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 110m h ASP 126 Cb 0.25 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 110m h ASP 126 CO -0.26 0.72 0.23 0.00 -1.72 0.00 0.00 179.24 178.21 110m h ALA 127 N 1.03 1.05 -0.41 3.45 0.00 -1.82 -1.35 119.26 121.21 110m h ALA 127 Ca 0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 110m h ALA 127 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 110m h ALA 127 CO -0.01 0.65 -0.23 0.37 0.00 0.00 0.00 179.25 180.03 110m h GLN 128 N 1.07 0.82 -0.56 0.00 4.15 -0.92 -0.92 115.11 118.75 110m h GLN 128 Ca 0.23 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 110m h GLN 128 Cb 0.29 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 110m h GLN 128 CO -0.01 0.97 0.29 0.78 -1.93 0.00 0.00 178.83 178.93 110m h GLY 129 N 0.95 0.84 1.02 2.39 0.00 -0.84 0.71 103.07 108.14 110m h GLY 129 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 110m h GLY 129 CO 0.06 0.38 0.21 0.00 0.00 0.00 0.00 176.54 177.19 110m h ALA 130 N 1.12 0.85 -0.53 3.60 0.00 -0.97 -1.28 119.26 122.05 110m h ALA 130 Ca 0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 110m h ALA 130 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 110m h ALA 130 CO -0.03 0.51 0.02 1.98 0.00 0.00 0.00 179.25 181.73 110m h MET 131 N 0.93 0.92 -0.82 0.00 -1.53 -0.84 -0.91 114.93 112.69 110m h MET 131 Ca 0.21 -0.28 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 110m h MET 131 Cb 0.28 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.21 110m h MET 131 CO -0.01 0.93 0.47 -0.97 0.14 0.00 0.00 176.91 177.47 110m h ASN 132 N 0.79 1.01 -0.59 1.39 -1.24 -0.68 -1.00 115.58 115.26 110m h ASN 132 Ca 0.15 -0.08 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 110m h ASN 132 Cb 0.50 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 110m h ASN 132 CO 0.02 0.80 0.07 0.50 -1.29 0.00 0.00 177.43 177.53 110m h LYS 133 N 1.14 1.02 -0.52 6.67 3.64 -0.96 0.37 116.57 127.93 110m h LYS 133 Ca 0.29 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 110m h LYS 133 Cb -0.00 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 110m h LYS 133 CO -0.05 0.96 0.13 0.00 -2.27 0.00 0.00 179.45 178.22 110m h ALA 134 N 1.11 0.69 -0.02 5.00 0.00 -0.62 -1.27 119.26 124.14 110m h ALA 134 Ca 0.19 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 110m h ALA 134 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 110m h ALA 134 CO 0.02 0.38 -0.69 -0.07 0.00 0.00 0.00 179.25 178.89 110m h LEU 135 N 0.73 0.14 -0.52 0.00 3.38 -1.02 -1.75 115.31 116.26 110m h LEU 135 Ca 0.16 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 110m h LEU 135 Cb 0.33 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 110m h LEU 135 CO 0.00 0.78 -0.12 -0.33 0.09 0.00 0.00 178.44 178.86 110m h GLU 136 N 0.08 1.01 -0.13 1.13 5.08 -0.71 -0.69 114.58 120.34 110m h GLU 136 Ca -0.01 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 110m h GLU 136 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 110m h GLU 136 CO 0.10 1.07 0.08 1.25 -1.00 0.00 0.00 179.01 180.50 110m h LEU 137 N 0.88 0.16 -0.25 1.33 5.85 -1.12 0.03 115.31 122.18 110m h LEU 137 Ca 0.13 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.85 110m h LEU 137 Cb 0.69 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 110m h LEU 137 CO 0.05 0.17 -0.12 0.15 -0.34 0.00 0.00 178.44 178.36 110m h PHE 138 N 0.13 -0.28 -0.78 1.25 3.57 -1.13 -0.91 116.94 118.79 110m h PHE 138 Ca 0.05 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 110m h PHE 138 Cb 0.05 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 110m h PHE 138 CO -0.05 -0.18 0.32 0.00 -2.23 0.00 0.00 178.31 176.17 110m h ARG 139 N -0.08 1.17 -0.47 1.11 3.08 -0.95 -1.00 114.38 117.24 110m h ARG 139 Ca 0.13 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 110m h ARG 139 Cb 0.29 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 110m h ARG 139 CO -0.31 0.94 0.16 -0.22 -1.07 0.00 0.00 179.97 179.47 110m h LYS 140 N 1.14 0.72 -0.12 0.04 3.64 -0.62 -0.04 116.57 121.33 110m h LYS 140 Ca 0.26 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 110m h LYS 140 Cb 0.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 110m h LYS 140 CO -0.02 0.68 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.94 110m h ASP 141 N 0.62 0.32 -0.27 4.20 3.32 -0.99 -1.92 116.42 121.70 110m h ASP 141 Ca 0.15 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 110m h ASP 141 Cb 0.25 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 110m h ASP 141 CO -0.01 0.73 -0.33 0.40 -1.72 0.00 0.00 179.24 178.32 110m h ILE 142 N 0.25 1.31 -1.00 0.35 1.08 -1.02 -2.27 117.51 116.21 110m h ILE 142 Ca 0.02 -1.51 0.02 0.00 -0.39 0.00 0.00 64.86 62.99 110m h ILE 142 Cb 0.90 1.65 -0.05 0.00 -3.07 0.00 0.00 36.82 36.25 110m h ILE 142 CO 0.07 0.48 0.66 0.00 -0.69 0.00 0.00 178.15 178.67 110m h ALA 143 N 0.68 1.29 -0.44 1.87 0.00 -0.87 0.13 119.26 121.92 110m h ALA 143 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 110m h ALA 143 Cb 0.91 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 110m h ALA 143 CO 0.08 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 110m h ALA 144 N 1.38 0.95 -0.35 0.00 0.00 -1.27 -2.20 119.26 117.78 110m h ALA 144 Ca 0.38 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 110m h ALA 144 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 110m h ALA 144 CO -0.10 0.61 -0.40 0.87 0.00 0.00 0.00 179.25 180.23 110m h LYS 145 N 0.72 0.87 -0.49 0.00 6.56 -0.80 -2.61 116.57 120.83 110m h LYS 145 Ca 0.12 -0.47 0.07 0.00 -1.06 0.00 0.00 60.65 59.31 110m h LYS 145 Cb 0.62 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.24 110m h LYS 145 CO 0.04 1.11 0.17 1.88 -2.06 0.00 0.00 179.45 180.59 110m h TYR 146 N 0.71 0.30 -0.37 -1.35 -1.99 -0.48 -0.17 116.97 113.62 110m h TYR 146 Ca 0.05 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.82 110m h TYR 146 Cb 0.99 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.63 110m h TYR 146 CO 0.06 0.09 0.23 -0.22 -0.00 0.00 0.00 178.16 178.32 110m h LYS 147 N 0.34 0.45 -0.27 4.88 3.64 -1.30 -0.05 116.57 124.27 110m h LYS 147 Ca 0.24 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 110m h LYS 147 Cb 0.25 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 110m h LYS 147 CO -0.25 0.30 0.05 0.93 -2.27 0.00 0.00 179.45 178.21 110m h GLU 148 N 0.46 0.39 -0.00 1.90 5.08 -0.96 -1.91 114.58 119.54 110m h GLU 148 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 110m h GLU 148 Cb -0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 110m h GLU 148 CO -0.05 0.38 -0.11 1.28 -1.00 0.00 0.00 179.01 179.51 110m n LEU 149 N -4.37 0.20 0.00 1.33 4.77 -0.15 -4.93 117.00 113.85 110m n LEU 149 Ca 0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 110m n LEU 149 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 110m n LEU 149 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 110m n GLY 150 N 1.40 0.79 0.76 -0.72 0.00 -0.59 -4.99 105.19 101.84 110m n GLY 150 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 110m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 110m n TYR 151 N -2.36 0.00 -1.90 1.61 9.36 -0.13 -4.97 117.16 118.78 110m n TYR 151 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 110m n TYR 151 Cb 0.00 -0.16 -0.00 0.00 -0.63 0.00 0.00 39.34 38.55 110m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 110m n GLN 152 N -3.76 -2.17 0.00 2.98 0.00 -1.00 -4.87 117.38 108.55 110m n GLN 152 Ca -0.05 0.03 0.12 0.00 -0.00 0.00 0.00 57.00 57.10 110m n GLN 152 Cb 0.19 -4.34 0.70 0.00 0.00 0.00 0.00 30.24 26.80 110m n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47