#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 109m s VAL 1 N 0.00 -0.15 0.31 3.17 1.01 -1.26 -5.07 120.40 118.41 109m s VAL 1 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 109m s VAL 1 Cb 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 36.07 109m s VAL 1 CO 0.00 0.13 0.77 -0.76 0.00 0.00 0.00 175.10 175.24 109m s LEU 2 N 1.83 4.14 0.73 3.92 1.02 -1.26 -5.07 118.68 124.00 109m s LEU 2 Ca -0.01 1.40 -0.11 0.00 0.02 0.00 0.00 54.13 55.43 109m s LEU 2 Cb -0.12 -3.99 0.04 0.00 0.02 0.00 0.00 46.19 42.14 109m s LEU 2 CO -0.05 -0.15 1.10 -0.94 0.02 0.00 0.00 176.35 176.34 109m s SER 3 N -2.05 5.11 0.30 2.29 1.04 -1.26 -4.90 113.70 114.23 109m s SER 3 Ca 0.52 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.88 109m s SER 3 Cb -0.12 -1.64 0.46 0.00 0.10 0.00 0.00 66.02 64.81 109m s SER 3 CO 0.18 -1.52 1.89 -0.08 0.98 0.00 0.00 173.24 174.69 109m h GLU 4 N -0.74 0.88 -0.64 4.02 4.57 -1.99 -2.14 114.58 118.54 109m h GLU 4 Ca -0.45 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 109m h GLU 4 Cb 1.28 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 109m h GLU 4 CO 0.64 0.70 0.31 0.78 -1.18 0.00 0.00 179.01 180.26 109m h GLY 5 N 0.97 0.96 0.90 1.92 0.00 -1.99 0.15 103.07 105.98 109m h GLY 5 Ca 0.21 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 109m h GLY 5 CO -0.02 0.43 -0.22 0.83 0.00 0.00 0.00 176.54 177.56 109m h GLU 6 N 0.90 0.59 -0.87 4.80 5.08 -1.83 -2.60 114.58 120.65 109m h GLU 6 Ca 0.22 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 109m h GLU 6 Cb 0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 109m h GLU 6 CO -0.03 0.89 0.55 -1.49 -1.00 0.00 0.00 179.01 177.93 109m h TRP 7 N 0.30 1.11 -0.78 4.33 4.06 -0.93 -1.85 115.95 122.18 109m h TRP 7 Ca 0.04 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 109m h TRP 7 Cb 0.78 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 109m h TRP 7 CO 0.07 0.72 0.38 1.96 -3.56 0.00 0.00 178.44 178.01 109m h GLN 8 N 1.18 1.12 -0.69 0.49 1.08 -0.86 0.27 115.11 117.70 109m h GLN 8 Ca 0.31 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 109m h GLN 8 Cb -0.10 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.10 109m h GLN 8 CO -0.06 0.86 0.14 -0.07 -0.95 0.00 0.00 178.83 178.74 109m h LEU 9 N 1.11 1.08 -0.02 1.46 3.38 -0.99 -1.09 115.31 120.24 109m h LEU 9 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 109m h LEU 9 Cb 0.11 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 109m h LEU 9 CO -0.03 1.05 0.00 0.58 0.09 0.00 0.00 178.44 180.13 109m h VAL 10 N 1.06 1.21 0.00 1.22 2.07 -0.88 -3.01 116.25 117.92 109m h VAL 10 Ca 0.21 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 109m h VAL 10 Cb 0.42 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 109m h VAL 10 CO 0.01 0.16 -0.16 -0.07 0.02 0.00 0.00 177.57 177.53 109m h LEU 11 N -0.22 0.00 -0.13 2.57 3.38 -0.89 -1.17 115.31 118.85 109m h LEU 11 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 109m h LEU 11 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 109m h LEU 11 CO 0.00 0.16 -0.19 -0.74 0.09 0.00 0.00 178.44 177.76 109m h HIS 12 N 0.00 0.44 -0.08 1.13 2.76 -1.18 -1.50 115.15 116.72 109m h HIS 12 Ca -0.00 -0.15 -0.15 0.00 -2.20 0.00 0.00 60.37 57.87 109m h HIS 12 Cb 0.72 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 109m h HIS 12 CO 0.00 0.80 -0.61 -0.24 -1.30 0.00 0.00 177.93 176.58 109m h VAL 13 N -0.04 1.38 -0.30 5.26 3.04 -1.41 -3.00 116.25 121.19 109m h VAL 13 Ca 0.01 -1.97 -0.05 0.00 -1.01 0.00 0.00 66.70 63.69 109m h VAL 13 Cb 0.74 1.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 109m h VAL 13 CO 0.04 0.59 -0.02 -0.25 -1.01 0.00 0.00 177.57 176.92 109m h TRP 14 N 0.21 0.48 -0.39 3.17 2.91 -1.13 -1.38 115.95 119.83 109m h TRP 14 Ca -0.01 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.97 109m h TRP 14 Cb 1.12 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 109m h TRP 14 CO 0.03 0.49 0.26 0.00 -1.03 0.00 0.00 178.44 178.18 109m h ALA 15 N 1.54 1.72 -0.11 2.65 0.00 -1.12 -0.18 119.26 123.76 109m h ALA 15 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 109m h ALA 15 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 109m h ALA 15 CO 0.01 0.26 -0.22 0.87 0.00 0.00 0.00 179.25 180.17 109m h LYS 16 N 0.53 0.34 -0.84 0.00 1.79 -1.29 -3.08 116.57 114.01 109m h LYS 16 Ca 0.14 -0.22 0.12 0.00 -2.18 0.00 0.00 60.65 58.51 109m h LYS 16 Cb -0.06 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.53 109m h LYS 16 CO -0.03 0.81 0.45 0.28 -1.08 0.00 0.00 179.45 179.89 109m h VAL 17 N -0.09 0.82 0.00 0.50 2.07 -0.63 -1.66 116.25 117.26 109m h VAL 17 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 109m h VAL 17 Cb 0.80 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 109m h VAL 17 CO 0.05 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 109m n GLU 18 N -4.81 0.13 0.28 1.57 1.02 -0.15 -1.46 120.64 117.22 109m n GLU 18 Ca 0.15 0.51 0.18 0.00 -0.02 0.00 0.00 57.16 57.98 109m n GLU 18 Cb 0.36 -1.82 0.74 0.00 -0.02 0.00 0.00 31.44 30.70 109m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 109m h ALA 19 N 2.14 1.00 -1.21 0.62 0.00 -1.30 -3.35 119.26 117.16 109m h ALA 19 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 109m h ALA 19 Cb 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.67 109m h ALA 19 CO 0.00 0.00 -0.77 -3.47 0.00 0.00 0.00 179.25 175.01 109m n ASP 20 N -3.07 -1.60 -0.22 0.00 2.03 -0.54 -5.02 116.55 108.14 109m n ASP 20 Ca 0.00 -2.89 -0.07 0.00 0.52 0.00 0.00 54.79 52.35 109m n ASP 20 Cb 0.28 0.62 0.03 0.00 -0.72 0.00 0.00 41.12 41.33 109m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 109m h VAL 21 N 3.26 1.22 -0.68 5.18 2.07 -1.69 -2.07 116.25 123.55 109m h VAL 21 Ca 0.03 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 109m h VAL 21 Cb 0.97 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 109m h VAL 21 CO 0.33 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.47 109m h ALA 22 N 1.11 0.88 -0.26 1.67 0.00 -1.91 0.32 119.26 121.07 109m h ALA 22 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 109m h ALA 22 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 109m h ALA 22 CO -0.02 0.48 -0.02 0.78 0.00 0.00 0.00 179.25 180.47 109m h GLY 23 N 0.95 0.51 1.04 0.00 0.00 -1.92 -1.77 103.07 101.88 109m h GLY 23 Ca 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 109m h GLY 23 CO -0.02 0.36 0.20 0.45 0.00 0.00 0.00 176.54 177.53 109m h HIS 24 N 0.24 1.11 -0.56 5.60 3.86 -1.20 -2.13 115.15 122.07 109m h HIS 24 Ca 0.07 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 109m h HIS 24 Cb 0.45 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 109m h HIS 24 CO 0.04 0.90 0.35 0.78 0.86 0.00 0.00 177.93 180.86 109m h GLY 25 N 1.01 0.80 0.92 2.45 0.00 -0.83 -0.85 103.07 106.57 109m h GLY 25 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 109m h GLY 25 CO -0.00 0.23 0.04 1.46 0.00 0.00 0.00 176.54 178.27 109m h GLN 26 N 0.69 0.11 -0.67 4.80 4.20 -1.16 -2.09 115.11 120.99 109m h GLN 26 Ca 0.22 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.97 109m h GLN 26 Cb 0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 109m h GLN 26 CO -0.09 0.16 0.38 -0.44 -0.67 0.00 0.00 178.83 178.18 109m h ASP 27 N 0.02 0.58 -0.17 1.46 3.32 -1.09 -1.13 116.42 119.41 109m h ASP 27 Ca 0.03 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 109m h ASP 27 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 109m h ASP 27 CO -0.00 0.38 -0.03 0.40 -1.72 0.00 0.00 179.24 178.26 109m h ILE 28 N 0.71 1.28 -0.56 0.35 2.04 -1.09 -1.68 117.51 118.56 109m h ILE 28 Ca 0.29 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 109m h ILE 28 Cb 0.16 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 109m h ILE 28 CO -0.17 0.29 -0.09 -0.07 0.00 0.00 0.00 178.15 178.11 109m h LEU 29 N 0.03 1.04 -0.52 1.44 3.38 -1.27 -1.05 115.31 118.38 109m h LEU 29 Ca 0.04 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 109m h LEU 29 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 109m h LEU 29 CO 0.01 1.14 0.02 0.40 0.09 0.00 0.00 178.44 180.11 109m h ILE 30 N 0.93 1.26 -0.42 1.22 2.04 -1.24 0.18 117.51 121.49 109m h ILE 30 Ca 0.15 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 64.97 109m h ILE 30 Cb 0.66 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 109m h ILE 30 CO 0.05 0.37 0.24 -0.09 0.00 0.00 0.00 178.15 178.72 109m h ARG 31 N 0.77 0.48 -0.01 2.37 9.65 -1.13 0.22 114.38 126.73 109m h ARG 31 Ca 0.15 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 109m h ARG 31 Cb 0.49 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 109m h ARG 31 CO 0.02 0.32 0.00 1.25 2.80 0.00 0.00 179.97 184.36 109m h LEU 32 N 0.49 0.01 -1.47 3.80 5.85 -0.85 0.33 115.31 123.47 109m h LEU 32 Ca 0.17 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 109m h LEU 32 Cb 0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 109m h LEU 32 CO -0.08 0.06 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.59 109m h PHE 33 N -0.05 0.05 0.15 1.25 0.04 -0.71 -0.58 116.94 117.09 109m h PHE 33 Ca 0.00 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 109m h PHE 33 Cb 0.06 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.21 109m h PHE 33 CO -0.06 0.28 -0.88 0.87 -0.60 0.00 0.00 178.31 177.92 109m h LYS 34 N 0.04 0.31 -0.13 1.51 1.57 -0.73 -3.00 116.57 116.14 109m h LYS 34 Ca 0.01 -0.53 -0.13 0.00 -1.87 0.00 0.00 60.65 58.12 109m h LYS 34 Cb 0.43 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 109m h LYS 34 CO 0.03 1.26 -0.47 0.77 -0.57 0.00 0.00 179.45 180.46 109m h SER 35 N -0.34 0.37 -2.31 0.86 0.02 -0.85 -3.38 113.55 107.92 109m h SER 35 Ca -0.16 -0.17 -0.58 0.00 -0.84 0.00 0.00 61.79 60.04 109m h SER 35 Cb 1.68 -0.10 -0.38 0.00 0.14 0.00 0.00 62.40 63.73 109m h SER 35 CO 0.16 0.79 -0.99 1.41 -1.14 0.00 0.00 176.83 177.05 109m n HIS 36 N -3.98 -0.68 0.19 3.45 8.25 -0.23 -4.99 115.22 117.23 109m n HIS 36 Ca -0.02 -3.39 0.17 0.00 -0.26 0.00 0.00 57.72 54.22 109m n HIS 36 Cb 0.54 0.11 0.69 0.00 1.12 0.00 0.00 29.99 32.45 109m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 109m h PRO 37 N 5.28 0.00 -0.07 -0.41 0.11 -1.72 -1.27 132.00 133.92 109m h PRO 37 Ca 0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 109m h PRO 37 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 109m h PRO 37 CO 0.40 0.00 -0.32 1.05 -0.21 0.00 0.00 178.00 178.92 109m h GLU 38 N 0.00 0.14 0.00 1.05 9.09 -1.92 -2.61 114.58 120.33 109m h GLU 38 Ca 0.12 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 59.43 109m h GLU 38 Cb 1.13 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 109m h GLU 38 CO -0.00 0.45 -0.23 1.79 0.05 0.00 0.00 179.01 181.07 109m h THR 39 N 0.12 1.11 0.00 -1.06 1.35 -1.57 -2.05 112.91 110.81 109m h THR 39 Ca 0.02 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 109m h THR 39 Cb 0.64 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 109m h THR 39 CO 0.05 0.23 -0.20 0.25 -0.25 0.00 0.00 175.52 175.59 109m h LEU 40 N 0.00 0.00 -2.40 3.87 5.85 -1.62 -2.71 115.31 118.30 109m h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 109m h LEU 40 Cb 0.42 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 109m h LEU 40 CO 0.03 0.20 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.98 109m h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.46 -1.96 114.58 117.49 109m h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 109m h GLU 41 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 109m h GLU 41 CO 0.03 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 109m n LYS 42 N -3.77 0.02 -3.60 2.33 4.76 -1.02 -4.58 118.16 112.31 109m n LYS 42 Ca -0.03 0.09 -0.40 0.00 -2.87 0.00 0.00 58.31 55.11 109m n LYS 42 Cb 0.11 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.71 109m n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 109m s PHE 43 N -2.97 3.48 0.54 2.13 0.40 -0.74 -4.92 117.98 115.89 109m s PHE 43 Ca 0.12 -2.08 0.21 0.00 -0.60 0.00 0.00 56.93 54.58 109m s PHE 43 Cb 0.15 -3.43 1.41 0.00 0.51 0.00 0.00 43.02 41.66 109m s PHE 43 CO 0.42 -0.97 2.13 -0.44 0.70 0.00 0.00 175.22 177.06 109m h ASP 44 N 8.18 0.00 0.60 1.36 3.32 -1.85 0.19 116.42 128.22 109m h ASP 44 Ca -0.16 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 109m h ASP 44 Cb 1.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 109m h ASP 44 CO 0.81 0.00 -0.71 0.03 -1.72 0.00 0.00 179.24 177.65 109m h ARG 45 N 0.00 0.09 0.00 3.56 3.08 -1.94 -3.37 114.38 115.80 109m h ARG 45 Ca 0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.03 109m h ARG 45 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.31 109m h ARG 45 CO -0.00 0.76 -0.37 1.19 -1.07 0.00 0.00 179.97 180.48 109m n PHE 46 N -3.74 0.00 -0.51 3.04 3.72 -0.54 -4.74 117.46 114.69 109m n PHE 46 Ca -0.02 0.00 0.42 0.00 -0.05 0.00 0.00 57.45 57.80 109m n PHE 46 Cb 0.69 -0.01 0.71 0.00 -0.94 0.00 0.00 39.48 39.93 109m n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 109m h LYS 47 N 0.00 0.05 0.00 -1.08 1.57 -0.82 -0.44 116.57 115.85 109m h LYS 47 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 109m h LYS 47 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 109m h LYS 47 CO 0.00 0.03 -0.22 1.12 -0.57 0.00 0.00 179.45 179.81 109m h HIS 48 N 0.05 0.00 -2.12 -1.35 2.07 -1.85 -3.46 115.15 108.49 109m h HIS 48 Ca 0.84 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 57.77 109m h HIS 48 Cb 2.93 0.00 0.02 0.00 2.57 0.00 0.00 27.41 32.93 109m h HIS 48 CO -0.00 0.22 1.12 1.28 -3.07 0.00 0.00 177.93 177.47 109m n LEU 49 N -3.27 3.61 -0.05 6.12 4.77 -0.18 -4.89 117.00 123.11 109m n LEU 49 Ca 0.01 0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 56.83 109m n LEU 49 Cb 0.49 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.03 109m n LEU 49 CO 0.34 0.00 -0.83 0.29 -1.33 0.00 0.00 177.39 175.86 109m n LYS 50 N 6.69 0.67 -4.34 3.23 5.02 -1.26 -5.01 118.16 123.16 109m n LYS 50 Ca 0.22 0.19 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 109m n LYS 50 Cb 0.32 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 109m n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 109m s THR 51 N -2.55 0.90 0.31 -0.18 -4.23 -1.26 -5.04 115.64 103.59 109m s THR 51 Ca -0.12 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 109m s THR 51 Cb 0.07 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.55 109m s THR 51 CO 0.80 -0.19 1.82 -0.08 -0.54 0.00 0.00 174.62 176.43 109m h GLU 52 N 2.40 0.57 -0.60 3.99 4.81 -1.99 -1.36 114.58 122.40 109m h GLU 52 Ca -0.39 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 109m h GLU 52 Cb 1.23 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 109m h GLU 52 CO 0.64 0.63 0.39 0.00 -0.73 0.00 0.00 179.01 179.94 109m h ALA 53 N 1.42 0.76 -0.62 2.92 0.00 -1.99 0.81 119.26 122.56 109m h ALA 53 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 109m h ALA 53 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 109m h ALA 53 CO 0.02 0.18 0.05 0.93 0.00 0.00 0.00 179.25 180.43 109m h GLU 54 N 0.80 1.04 -0.56 0.00 5.08 -1.82 -2.04 114.58 117.08 109m h GLU 54 Ca 0.22 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 109m h GLU 54 Cb -0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 109m h GLU 54 CO -0.06 0.99 0.26 0.52 -1.00 0.00 0.00 179.01 179.72 109m h MET 55 N 0.97 0.81 -0.19 2.33 2.86 -0.60 -2.36 114.93 118.74 109m h MET 55 Ca 0.18 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 109m h MET 55 Cb 0.49 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 109m h MET 55 CO 0.02 0.67 -0.10 0.87 1.06 0.00 0.00 176.91 179.43 109m h LYS 56 N 0.75 0.30 0.00 1.72 1.57 -0.60 -2.82 116.57 117.49 109m h LYS 56 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 109m h LYS 56 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 109m h LYS 56 CO -0.02 0.42 -0.25 0.00 -0.57 0.00 0.00 179.45 179.02 109m n ALA 57 N -2.49 2.70 -2.31 3.86 0.00 -0.79 -4.83 120.51 116.65 109m n ALA 57 Ca -0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 109m n ALA 57 Cb 0.26 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 109m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 109m s SER 58 N -3.73 6.58 0.27 0.00 0.15 -0.91 -4.88 113.70 111.17 109m s SER 58 Ca 0.11 1.37 0.07 0.00 0.70 0.00 0.00 55.95 58.19 109m s SER 58 Cb 0.15 -2.54 0.35 0.00 -1.71 0.00 0.00 66.02 62.28 109m s SER 58 CO 0.63 -1.13 1.62 -0.08 1.20 0.00 0.00 173.24 175.48 109m h GLU 59 N 9.75 0.17 -0.53 5.44 4.57 -1.88 -2.80 114.58 129.29 109m h GLU 59 Ca -0.29 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 57.76 109m h GLU 59 Cb 1.12 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 109m h GLU 59 CO 1.02 0.67 0.22 -0.44 -1.18 0.00 0.00 179.01 179.31 109m h ASP 60 N 0.13 0.73 -0.59 1.04 5.19 -1.96 -1.10 116.42 119.86 109m h ASP 60 Ca -0.00 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 109m h ASP 60 Cb 1.00 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.30 109m h ASP 60 CO 0.08 0.69 0.25 0.25 -3.12 0.00 0.00 179.24 177.38 109m h LEU 61 N 0.72 0.80 -0.77 1.55 6.46 -1.87 -1.81 115.31 120.39 109m h LEU 61 Ca 0.18 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 109m h LEU 61 Cb 0.18 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 109m h LEU 61 CO -0.02 0.74 0.34 0.50 -0.62 0.00 0.00 178.44 179.38 109m h LYS 62 N 0.81 1.13 -0.59 1.25 3.64 -1.23 -0.86 116.57 120.72 109m h LYS 62 Ca 0.20 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 109m h LYS 62 Cb 0.18 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 109m h LYS 62 CO -0.02 0.90 0.15 0.87 -2.27 0.00 0.00 179.45 179.08 109m h LYS 63 N 1.10 0.94 -0.42 1.90 1.57 -0.99 -2.44 116.57 118.23 109m h LYS 63 Ca 0.26 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 109m h LYS 63 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 109m h LYS 63 CO -0.03 0.86 -0.02 1.25 -0.57 0.00 0.00 179.45 180.95 109m h HIS 64 N 0.85 0.73 -0.78 -1.35 2.76 -0.96 -1.68 115.15 114.73 109m h HIS 64 Ca 0.19 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 109m h HIS 64 Cb 0.34 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 109m h HIS 64 CO 0.02 0.70 0.46 0.78 -1.30 0.00 0.00 177.93 178.60 109m h GLY 65 N 0.94 1.13 0.97 5.26 0.00 -0.81 -0.46 103.07 110.10 109m h GLY 65 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 109m h GLY 65 CO 0.02 0.45 -0.05 -2.08 0.00 0.00 0.00 176.54 174.89 109m h VAL 66 N 1.07 1.27 -0.60 4.60 2.07 -0.89 -1.08 116.25 122.69 109m h VAL 66 Ca 0.28 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.71 109m h VAL 66 Cb -0.04 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 109m h VAL 66 CO -0.05 0.38 0.37 0.74 0.02 0.00 0.00 177.57 179.02 109m h THR 67 N 0.59 1.09 -0.13 2.57 2.02 -0.78 -1.47 112.91 116.79 109m h THR 67 Ca 0.11 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 109m h THR 67 Cb 0.56 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 109m h THR 67 CO 0.03 0.13 0.00 0.58 0.37 0.00 0.00 175.52 176.64 109m h VAL 68 N 0.74 1.25 -0.11 3.16 2.07 -0.93 -2.35 116.25 120.07 109m h VAL 68 Ca 0.24 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 109m h VAL 68 Cb -0.00 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 109m h VAL 68 CO -0.09 0.23 -0.37 -0.07 0.02 0.00 0.00 177.57 177.29 109m h LEU 69 N -0.03 0.23 -0.48 2.57 3.38 -1.13 -1.13 115.31 118.72 109m h LEU 69 Ca 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 109m h LEU 69 Cb 0.35 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 109m h LEU 69 CO 0.01 0.59 -0.03 0.74 0.09 0.00 0.00 178.44 179.84 109m h THR 70 N 0.19 1.27 -0.29 0.22 2.02 -1.26 0.18 112.91 115.24 109m h THR 70 Ca 0.02 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 109m h THR 70 Cb 0.75 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 109m h THR 70 CO 0.06 0.39 0.06 0.00 0.37 0.00 0.00 175.52 176.39 109m h ALA 71 N 0.91 0.38 -0.57 6.16 0.00 -1.12 -1.64 119.26 123.39 109m h ALA 71 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 109m h ALA 71 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 109m h ALA 71 CO 0.03 0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.72 109m h LEU 72 N 0.30 0.87 -1.07 0.00 5.85 -1.12 -2.57 115.31 117.57 109m h LEU 72 Ca 0.09 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.59 109m h LEU 72 Cb 0.31 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 109m h LEU 72 CO 0.00 0.88 0.63 1.23 -0.34 0.00 0.00 178.44 180.84 109m h GLY 73 N 0.82 1.36 1.81 3.75 0.00 -0.49 -0.88 103.07 109.44 109m h GLY 73 Ca 0.18 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 109m h GLY 73 CO 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 176.54 176.71 109m h ALA 74 N 1.42 1.30 -0.05 3.60 0.00 -1.01 -1.75 119.26 122.78 109m h ALA 74 Ca 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 109m h ALA 74 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 109m h ALA 74 CO -0.10 0.48 -0.09 0.82 0.00 0.00 0.00 179.25 180.36 109m h ILE 75 N 0.20 1.42 -0.96 0.00 2.04 -0.97 -3.17 117.51 116.06 109m h ILE 75 Ca 0.03 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.53 109m h ILE 75 Cb 0.61 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 109m h ILE 75 CO 0.04 0.38 0.64 -0.07 0.00 0.00 0.00 178.15 179.14 109m h LEU 76 N -0.35 1.10 -1.83 1.44 3.38 -1.00 -2.14 115.31 115.90 109m h LEU 76 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 109m h LEU 76 Cb 0.66 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.14 109m h LEU 76 CO 0.02 0.79 0.00 0.11 0.09 0.00 0.00 178.44 179.45 109m h LYS 77 N 1.29 0.00 0.00 1.13 1.57 -1.32 -1.03 116.57 118.21 109m h LYS 77 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 109m h LYS 77 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 109m h LYS 77 CO -0.08 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.43 109m n LYS 78 N -2.72 0.01 -3.97 3.15 4.76 -0.81 -4.95 118.16 113.64 109m n LYS 78 Ca -0.01 0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.22 109m n LYS 78 Cb 0.14 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 109m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 109m n LYS 79 N -1.53 -3.51 0.00 1.97 5.02 -0.39 -1.92 118.16 117.80 109m n LYS 79 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 109m n LYS 79 Cb 0.31 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 109m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 109m n GLY 80 N -1.87 3.20 2.67 0.72 0.00 -1.26 -4.96 105.19 103.69 109m n GLY 80 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 109m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 109m n HIS 81 N -1.22 2.64 -0.55 1.61 8.25 -0.81 -4.66 115.22 120.48 109m n HIS 81 Ca 0.00 -2.65 0.07 0.00 -0.26 0.00 0.00 57.72 54.88 109m n HIS 81 Cb 0.00 -1.44 0.21 0.00 1.12 0.00 0.00 29.99 29.88 109m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 109m n HIS 82 N 0.96 0.71 -0.21 4.41 1.44 -1.26 -4.75 115.22 116.52 109m n HIS 82 Ca 0.47 -0.67 0.01 0.00 -2.01 0.00 0.00 57.72 55.52 109m n HIS 82 Cb 0.28 -0.16 0.09 0.00 0.12 0.00 0.00 29.99 30.31 109m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 109m h GLU 83 N 1.99 0.06 -0.61 -1.40 9.09 -1.99 -0.79 114.58 120.92 109m h GLU 83 Ca 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 109m h GLU 83 Cb 1.07 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.13 109m h GLU 83 CO 0.11 0.04 0.39 0.00 0.05 0.00 0.00 179.01 179.60 109m h ALA 84 N 1.61 0.78 -0.25 1.06 0.00 -2.01 -2.66 119.26 117.79 109m h ALA 84 Ca 0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 109m h ALA 84 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 109m h ALA 84 CO -0.60 0.17 -0.33 0.93 0.00 0.00 0.00 179.25 179.42 109m h GLU 85 N 0.79 0.53 -0.16 0.00 3.07 -1.76 -3.23 114.58 113.82 109m h GLU 85 Ca 0.23 -0.24 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 109m h GLU 85 Cb -0.05 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 109m h GLU 85 CO -0.07 0.80 -0.48 1.25 -1.40 0.00 0.00 179.01 179.10 109m h LEU 86 N 0.45 0.47 -0.17 1.33 5.85 -0.85 -3.34 115.31 119.05 109m h LEU 86 Ca 0.05 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.59 109m h LEU 86 Cb 0.80 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 109m h LEU 86 CO 0.07 0.88 -0.46 0.11 -0.34 0.00 0.00 178.44 178.69 109m h LYS 87 N 0.34 -0.48 -0.08 1.25 1.57 -1.50 0.71 116.57 118.39 109m h LYS 87 Ca 0.02 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 109m h LYS 87 Cb 0.97 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 109m h LYS 87 CO 0.08 -0.32 -0.36 -1.00 -0.57 0.00 0.00 179.45 177.28 109m h PRO 88 N -0.50 0.15 -0.24 3.15 0.13 -1.75 -1.95 132.00 131.00 109m h PRO 88 Ca 0.07 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 109m h PRO 88 Cb 0.64 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 109m h PRO 88 CO -0.43 0.50 -0.06 1.25 -0.23 0.00 0.00 178.00 179.02 109m h LEU 89 N 0.13 0.47 -0.61 1.56 5.85 -1.58 -1.95 115.31 119.19 109m h LEU 89 Ca 0.01 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 109m h LEU 89 Cb 0.71 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 109m h LEU 89 CO 0.05 0.73 0.28 0.00 -0.34 0.00 0.00 178.44 179.16 109m h ALA 90 N 0.75 0.78 0.02 1.25 0.00 -0.81 -1.22 119.26 120.03 109m h ALA 90 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 109m h ALA 90 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 109m h ALA 90 CO 0.02 0.36 -0.01 0.37 0.00 0.00 0.00 179.25 180.00 109m h GLN 91 N 0.83 -0.02 -0.54 0.00 4.15 -1.20 -0.10 115.11 118.22 109m h GLN 91 Ca 0.21 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 109m h GLN 91 Cb 0.14 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 109m h GLN 91 CO -0.02 0.07 -0.03 0.66 -1.93 0.00 0.00 178.83 177.58 109m h SER 92 N -0.11 0.96 0.92 -0.69 4.64 -1.32 -0.48 113.55 117.48 109m h SER 92 Ca -0.00 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 109m h SER 92 Cb 0.10 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 109m h SER 92 CO 0.00 1.05 -0.42 0.45 -0.87 0.00 0.00 176.83 177.05 109m h HIS 93 N 0.85 0.00 0.08 4.77 3.86 -1.16 -0.09 115.15 123.47 109m h HIS 93 Ca 0.15 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.14 109m h HIS 93 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 109m h HIS 93 CO 0.04 0.42 -1.12 0.00 0.86 0.00 0.00 177.93 178.12 109m h ALA 94 N 1.58 0.14 0.11 2.45 0.00 -0.92 0.74 119.26 123.36 109m h ALA 94 Ca -0.00 -0.98 -0.36 0.00 0.00 0.00 0.00 54.91 53.56 109m h ALA 94 Cb 0.99 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 109m h ALA 94 CO 0.05 0.64 -2.02 2.41 0.00 0.00 0.00 179.25 180.34 109m n THR 95 N -4.13 1.76 -0.09 0.00 -1.04 -0.20 -3.74 114.28 106.85 109m n THR 95 Ca -0.23 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 109m n THR 95 Cb 0.80 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.58 109m n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 109m n LYS 96 N -3.45 0.50 0.06 -2.82 4.81 -0.34 -4.63 118.16 112.30 109m n LYS 96 Ca -0.32 0.51 -0.08 0.00 -0.87 0.00 0.00 58.31 57.55 109m n LYS 96 Cb 1.05 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 34.28 109m n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 109m h HIS 97 N -1.00 0.06 -5.11 5.64 3.86 -1.24 -3.49 115.15 113.87 109m h HIS 97 Ca -0.15 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 58.96 109m h HIS 97 Cb 0.86 -0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.37 109m h HIS 97 CO -0.12 1.04 -0.17 1.63 0.86 0.00 0.00 177.93 181.17 109m n LYS 98 N -3.34 -1.35 -3.72 2.45 5.02 -0.31 -5.00 118.16 111.90 109m n LYS 98 Ca -0.03 1.25 -0.38 0.00 -2.02 0.00 0.00 58.31 57.13 109m n LYS 98 Cb 0.96 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.57 109m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 109m s ILE 99 N -3.08 3.99 0.60 -0.18 -1.09 0.10 -5.02 121.20 116.53 109m s ILE 99 Ca 0.09 -0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 57.36 109m s ILE 99 Cb -0.01 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 109m s ILE 99 CO 0.66 -0.12 1.20 -2.16 -1.23 0.00 0.00 174.94 173.29 109m s PRO 100 N 1.46 2.93 0.51 2.79 0.04 -1.26 -4.81 135.00 136.65 109m s PRO 100 Ca 0.00 1.79 0.23 0.00 0.04 0.00 0.00 61.00 63.06 109m s PRO 100 Cb -0.19 -1.93 1.33 0.00 0.04 0.00 0.00 34.50 33.75 109m s PRO 100 CO 0.04 -1.23 1.99 0.82 0.04 0.00 0.00 177.00 178.66 109m h ILE 101 N 0.78 0.76 -1.00 0.56 1.08 -1.91 -0.57 117.51 117.22 109m h ILE 101 Ca -0.50 -0.03 0.08 0.00 -0.39 0.00 0.00 64.86 64.02 109m h ILE 101 Cb 1.29 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 35.65 109m h ILE 101 CO 0.55 0.01 0.64 0.50 -0.69 0.00 0.00 178.15 179.16 109m h LYS 102 N 0.08 1.08 -0.01 2.37 1.63 -1.91 -1.15 116.57 118.67 109m h LYS 102 Ca 0.26 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 109m h LYS 102 Cb 0.93 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 109m h LYS 102 CO -0.02 0.72 -0.51 1.88 -3.45 0.00 0.00 179.45 178.06 109m h TYR 103 N 1.12 0.02 -0.00 1.91 -1.99 -1.45 -1.93 116.97 114.64 109m h TYR 103 Ca 0.45 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 61.05 109m h TYR 103 Cb 0.26 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 109m h TYR 103 CO -0.00 0.53 -0.58 -0.07 -0.00 0.00 0.00 178.16 178.03 109m h LEU 104 N 0.01 0.01 -0.43 3.88 3.38 -1.26 -1.73 115.31 119.18 109m h LEU 104 Ca -0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 109m h LEU 104 Cb 0.91 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 109m h LEU 104 CO 0.07 0.59 -0.09 -0.33 0.09 0.00 0.00 178.44 178.76 109m h GLU 105 N 0.01 0.82 -0.53 1.13 5.08 -0.62 -1.78 114.58 118.69 109m h GLU 105 Ca -0.01 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 109m h GLU 105 Cb 1.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 109m h GLU 105 CO 0.08 0.93 0.30 0.74 -1.00 0.00 0.00 179.01 180.06 109m h PHE 106 N 0.65 0.72 -0.04 4.33 0.04 -1.04 -1.96 116.94 119.64 109m h PHE 106 Ca 0.11 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 109m h PHE 106 Cb 0.62 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 109m h PHE 106 CO 0.05 0.52 -0.44 0.97 -0.60 0.00 0.00 178.31 178.80 109m h ILE 107 N 0.71 1.32 -0.85 -0.55 2.10 -1.24 -1.88 117.51 117.12 109m h ILE 107 Ca 0.19 -1.55 -0.02 0.00 1.08 0.00 0.00 64.86 64.55 109m h ILE 107 Cb 0.03 1.79 -0.04 0.00 -1.09 0.00 0.00 36.82 37.51 109m h ILE 107 CO -0.03 0.45 0.44 0.28 -1.08 0.00 0.00 178.15 178.20 109m h SER 108 N 0.07 1.09 -0.62 2.19 0.02 -0.85 -0.16 113.55 115.30 109m h SER 108 Ca 0.00 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 109m h SER 108 Cb 0.81 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 109m h SER 108 CO 0.06 0.90 0.22 -0.08 -1.14 0.00 0.00 176.83 176.79 109m h GLU 109 N 1.20 0.95 -0.74 3.45 4.81 -1.07 -2.02 114.58 121.16 109m h GLU 109 Ca 0.30 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 109m h GLU 109 Cb 0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 109m h GLU 109 CO -0.04 0.82 0.23 0.00 -0.73 0.00 0.00 179.01 179.29 109m h ALA 110 N 1.08 0.96 -0.33 2.92 0.00 -0.66 -1.30 119.26 121.92 109m h ALA 110 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 109m h ALA 110 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 109m h ALA 110 CO -0.01 0.64 0.10 0.82 0.00 0.00 0.00 179.25 180.81 109m h ILE 111 N 1.09 1.21 -0.80 0.00 2.04 -0.85 -1.85 117.51 118.35 109m h ILE 111 Ca 0.24 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 109m h ILE 111 Cb 0.30 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 109m h ILE 111 CO -0.01 0.23 0.34 0.40 0.00 0.00 0.00 178.15 179.12 109m h ILE 112 N 0.39 1.26 -0.47 -0.67 2.04 -1.21 -1.31 117.51 117.54 109m h ILE 112 Ca 0.11 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 109m h ILE 112 Cb 0.25 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 109m h ILE 112 CO -0.00 0.32 0.15 -0.74 0.00 0.00 0.00 178.15 177.89 109m h HIS 113 N 1.15 0.74 -0.41 1.37 2.76 -1.08 -0.60 115.15 119.08 109m h HIS 113 Ca 0.27 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 58.23 109m h HIS 113 Cb 0.18 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 109m h HIS 113 CO 0.02 0.65 -0.29 0.28 -1.30 0.00 0.00 177.93 177.29 109m h VAL 114 N 0.62 1.27 -0.45 5.26 2.07 -1.10 -1.67 116.25 122.26 109m h VAL 114 Ca 0.15 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.12 109m h VAL 114 Cb 0.25 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 109m h VAL 114 CO -0.01 0.49 -0.11 -0.07 0.02 0.00 0.00 177.57 177.89 109m h LEU 115 N 0.75 0.82 -0.70 2.57 3.38 -1.12 -1.28 115.31 119.72 109m h LEU 115 Ca 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 109m h LEU 115 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 109m h LEU 115 CO 0.08 0.95 0.32 -0.74 0.09 0.00 0.00 178.44 179.13 109m h HIS 116 N 0.74 1.03 -0.15 1.13 2.76 -0.97 -0.12 115.15 119.57 109m h HIS 116 Ca 0.12 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 109m h HIS 116 Cb 0.61 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.26 109m h HIS 116 CO 0.03 0.78 -0.33 0.77 -1.30 0.00 0.00 177.93 177.88 109m h SER 117 N 0.99 0.55 1.24 3.26 0.02 -0.97 -3.29 113.55 115.34 109m h SER 117 Ca 0.24 -0.57 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 109m h SER 117 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 109m h SER 117 CO -0.03 1.01 -0.78 0.03 -1.14 0.00 0.00 176.83 175.92 109m h ARG 118 N 0.10 0.00 -1.47 3.45 3.08 -1.22 -3.40 114.38 114.92 109m h ARG 118 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 109m h ARG 118 Cb 0.94 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.58 109m h ARG 118 CO 0.07 0.15 -1.02 0.72 -1.07 0.00 0.00 179.97 178.82 109m n HIS 119 N -2.92 1.84 -0.14 3.04 8.25 -0.06 -4.93 115.22 120.31 109m n HIS 119 Ca -0.01 -3.21 0.13 0.00 -0.26 0.00 0.00 57.72 54.37 109m n HIS 119 Cb 0.64 -0.33 0.48 0.00 1.12 0.00 0.00 29.99 31.91 109m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 109m h PRO 120 N 2.89 0.44 0.00 -0.41 0.13 -1.73 -0.26 132.00 133.07 109m h PRO 120 Ca 0.06 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 109m h PRO 120 Cb 1.00 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 109m h PRO 120 CO 0.62 0.29 -0.24 0.78 -0.23 0.00 0.00 178.00 179.22 109m h GLY 121 N 0.45 0.00 -1.16 1.56 0.00 -1.92 -2.94 103.07 99.07 109m h GLY 121 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 109m h GLY 121 CO -0.10 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.14 109m n ASN 122 N -3.35 3.04 -2.91 0.19 5.03 -0.41 -4.65 115.26 112.20 109m n ASN 122 Ca 0.01 -2.30 -0.14 0.00 0.87 0.00 0.00 54.58 53.01 109m n ASN 122 Cb 0.47 -0.29 -0.00 0.00 -1.02 0.00 0.00 39.78 38.93 109m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 109m n PHE 123 N 0.06 0.84 -0.87 3.10 7.35 -0.24 -4.67 117.46 123.04 109m n PHE 123 Ca 0.13 -3.32 -0.05 0.00 -0.76 0.00 0.00 57.45 53.45 109m n PHE 123 Cb 0.53 -0.39 0.04 0.00 0.35 0.00 0.00 39.48 40.00 109m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 109m n GLY 124 N 0.08 -1.82 0.16 7.13 0.00 -1.25 -4.63 105.19 104.86 109m n GLY 124 Ca 0.18 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 109m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 109m h ALA 125 N -2.04 0.46 -0.73 4.61 0.00 -1.98 -1.04 119.26 118.54 109m h ALA 125 Ca -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 109m h ALA 125 Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 109m h ALA 125 CO 0.04 -0.23 0.38 -0.44 0.00 0.00 0.00 179.25 179.01 109m h ASP 126 N 0.33 0.93 -0.34 0.00 3.32 -1.99 -0.86 116.42 117.80 109m h ASP 126 Ca 0.17 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 109m h ASP 126 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 109m h ASP 126 CO -0.15 0.77 -0.12 0.00 -1.72 0.00 0.00 179.24 178.03 109m h ALA 127 N 1.19 0.98 -0.42 3.45 0.00 -1.81 -1.32 119.26 121.33 109m h ALA 127 Ca 0.25 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 109m h ALA 127 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 109m h ALA 127 CO -0.04 0.61 -0.25 0.37 0.00 0.00 0.00 179.25 179.94 109m h GLN 128 N 0.71 0.88 -0.66 0.00 4.15 -0.92 -0.87 115.11 118.39 109m h GLN 128 Ca 0.12 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 109m h GLN 128 Cb 0.60 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 109m h GLN 128 CO 0.04 1.03 0.32 0.78 -1.93 0.00 0.00 178.83 179.07 109m h GLY 129 N 0.91 1.02 1.03 2.39 0.00 -0.83 0.84 103.07 108.42 109m h GLY 129 Ca 0.09 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 109m h GLY 129 CO 0.07 0.48 0.07 0.00 0.00 0.00 0.00 176.54 177.15 109m h ALA 130 N 1.15 0.75 -0.64 3.60 0.00 -0.92 -1.52 119.26 121.68 109m h ALA 130 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 109m h ALA 130 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 109m h ALA 130 CO -0.03 0.52 0.07 1.98 0.00 0.00 0.00 179.25 181.79 109m h MET 131 N 0.84 1.08 -0.66 0.00 -1.53 -0.92 -0.86 114.93 112.88 109m h MET 131 Ca 0.17 -0.30 -0.01 0.00 -3.44 0.00 0.00 59.70 56.11 109m h MET 131 Cb 0.44 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.35 109m h MET 131 CO 0.01 1.01 0.35 -0.97 0.14 0.00 0.00 176.91 177.46 109m h ASN 132 N 0.99 0.83 -0.62 1.39 -1.24 -0.68 -1.21 115.58 115.04 109m h ASN 132 Ca 0.19 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 109m h ASN 132 Cb 0.47 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 109m h ASN 132 CO 0.02 0.69 0.16 0.50 -1.29 0.00 0.00 177.43 177.51 109m h LYS 133 N 0.90 1.02 -0.42 6.67 3.64 -0.95 0.43 116.57 127.86 109m h LYS 133 Ca 0.23 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 109m h LYS 133 Cb 0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 109m h LYS 133 CO -0.04 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 178.03 109m h ALA 134 N 1.20 0.57 -0.04 5.00 0.00 -0.79 -1.34 119.26 123.86 109m h ALA 134 Ca 0.21 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 109m h ALA 134 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 109m h ALA 134 CO -0.00 0.37 -0.59 -0.07 0.00 0.00 0.00 179.25 178.96 109m h LEU 135 N 0.59 0.13 -0.52 0.00 3.38 -1.01 -1.64 115.31 116.24 109m h LEU 135 Ca 0.12 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 109m h LEU 135 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 109m h LEU 135 CO 0.02 0.69 -0.05 -0.33 0.09 0.00 0.00 178.44 178.87 109m h GLU 136 N 0.09 0.96 -0.19 1.13 5.08 -0.73 -1.04 114.58 119.88 109m h GLU 136 Ca -0.01 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 109m h GLU 136 Cb 1.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 109m h GLU 136 CO 0.08 0.99 0.12 1.25 -1.00 0.00 0.00 179.01 180.46 109m h LEU 137 N 0.83 0.22 -0.25 1.33 5.85 -1.05 0.39 115.31 122.62 109m h LEU 137 Ca 0.14 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.90 109m h LEU 137 Cb 0.59 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 109m h LEU 137 CO 0.04 0.17 -0.12 0.15 -0.34 0.00 0.00 178.44 178.33 109m h PHE 138 N 0.24 -0.29 -0.63 1.25 3.57 -1.15 -1.05 116.94 118.89 109m h PHE 138 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 109m h PHE 138 Cb -0.02 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 109m h PHE 138 CO -0.06 -0.19 0.24 0.00 -2.23 0.00 0.00 178.31 176.07 109m h ARG 139 N -0.09 0.92 -0.28 1.11 3.08 -0.88 -0.51 114.38 117.73 109m h ARG 139 Ca 0.13 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 109m h ARG 139 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 109m h ARG 139 CO -0.31 0.76 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.11 109m h LYS 140 N 0.90 0.50 -0.19 0.04 3.64 -0.53 -0.09 116.57 120.84 109m h LYS 140 Ca 0.21 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 109m h LYS 140 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 109m h LYS 140 CO -0.02 0.67 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.93 109m h ASP 141 N 0.28 0.53 -0.39 4.20 3.32 -1.03 -2.11 116.42 121.22 109m h ASP 141 Ca 0.08 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.73 109m h ASP 141 Cb 0.46 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 109m h ASP 141 CO 0.02 0.91 -0.33 0.40 -1.72 0.00 0.00 179.24 178.53 109m h ILE 142 N 0.39 1.27 -0.80 0.35 1.08 -1.01 -2.25 117.51 116.54 109m h ILE 142 Ca 0.02 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 109m h ILE 142 Cb 0.96 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 109m h ILE 142 CO 0.08 0.50 0.50 0.00 -0.69 0.00 0.00 178.15 178.55 109m h ALA 143 N 0.84 1.02 -0.68 1.87 0.00 -0.82 0.29 119.26 121.78 109m h ALA 143 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 109m h ALA 143 Cb 0.91 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 109m h ALA 143 CO 0.08 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.93 109m h ALA 144 N 1.27 0.94 -0.35 0.00 0.00 -1.23 -2.18 119.26 117.71 109m h ALA 144 Ca 0.29 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 109m h ALA 144 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 109m h ALA 144 CO -0.06 0.67 -0.37 0.87 0.00 0.00 0.00 179.25 180.36 109m h LYS 145 N 1.05 0.82 -0.56 0.00 6.56 -0.90 -2.42 116.57 121.11 109m h LYS 145 Ca 0.21 -0.41 0.09 0.00 -1.06 0.00 0.00 60.65 59.48 109m h LYS 145 Cb 0.41 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.01 109m h LYS 145 CO 0.01 1.05 0.16 1.88 -2.06 0.00 0.00 179.45 180.49 109m h TYR 146 N 0.67 0.27 -0.16 -1.35 -1.99 -0.59 -0.65 116.97 113.18 109m h TYR 146 Ca 0.06 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.84 109m h TYR 146 Cb 0.93 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 109m h TYR 146 CO 0.05 0.04 0.03 -0.22 -0.00 0.00 0.00 178.16 178.06 109m h LYS 147 N 0.32 0.09 -0.16 4.88 3.64 -1.16 -0.77 116.57 123.41 109m h LYS 147 Ca 0.29 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 109m h LYS 147 Cb 0.38 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 109m h LYS 147 CO -0.33 0.06 0.02 0.93 -2.27 0.00 0.00 179.45 177.86 109m h GLU 148 N 0.09 0.22 -0.00 1.90 5.08 -0.88 -1.87 114.58 119.13 109m h GLU 148 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 109m h GLU 148 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 109m h GLU 148 CO -0.10 0.23 -0.13 1.28 -1.00 0.00 0.00 179.01 179.29 109m n LEU 149 N -4.42 0.16 0.00 1.33 4.77 -0.32 -4.93 117.00 113.59 109m n LEU 149 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 109m n LEU 149 Cb 0.15 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 109m n LEU 149 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 109m n GLY 150 N 1.46 0.80 0.74 -0.72 0.00 -0.61 -4.99 105.19 101.88 109m n GLY 150 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 109m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 109m n TYR 151 N -2.35 0.00 -1.00 1.61 9.36 -0.39 -4.97 117.16 119.42 109m n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 109m n TYR 151 Cb 0.00 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.47 109m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 109m n GLN 152 N -3.56 -1.02 0.00 2.98 0.00 -1.01 -4.88 117.38 109.88 109m n GLN 152 Ca -0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 56.96 109m n GLN 152 Cb 0.43 -3.77 0.48 0.00 0.00 0.00 0.00 30.24 27.38 109m n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47