#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mni s LEU 2 N 0.00 3.79 0.78 0.99 1.02 -1.26 -5.10 118.68 118.91 1mni s LEU 2 Ca 0.00 0.03 -0.12 0.00 0.02 0.00 0.00 54.13 54.06 1mni s LEU 2 Cb 0.00 -2.38 0.06 0.00 0.02 0.00 0.00 46.19 43.89 1mni s LEU 2 CO 0.00 0.21 1.16 -0.94 0.02 0.00 0.00 176.35 176.80 1mni s SER 3 N -2.14 4.74 0.37 2.29 1.04 -1.26 -4.86 113.70 113.88 1mni s SER 3 Ca 0.27 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.60 1mni s SER 3 Cb -0.12 -1.43 0.70 0.00 0.10 0.00 0.00 66.02 65.26 1mni s SER 3 CO 0.19 -1.76 2.01 0.44 0.98 0.00 0.00 173.24 175.09 1mni h ASP 4 N -0.95 0.62 0.18 7.02 3.32 -1.99 -1.13 116.42 123.49 1mni h ASP 4 Ca -0.46 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1mni h ASP 4 Cb 1.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1mni h ASP 4 CO 0.65 0.48 -0.47 1.23 -1.72 0.00 0.00 179.24 179.41 1mni h GLY 5 N 0.76 0.38 0.93 2.75 0.00 -1.99 -2.42 103.07 103.47 1mni h GLY 5 Ca 0.19 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1mni h GLY 5 CO -0.04 0.36 -0.07 0.83 0.00 0.00 0.00 176.54 177.63 1mni h GLU 6 N 0.28 0.66 -1.00 4.80 5.08 -1.60 -2.19 114.58 120.62 1mni h GLU 6 Ca 0.02 -0.25 0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1mni h GLU 6 Cb 0.94 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 1mni h GLU 6 CO 0.08 0.82 0.63 -1.49 -1.00 0.00 0.00 179.01 178.05 1mni h TRP 7 N 0.46 1.12 -0.29 4.33 4.06 -1.21 -0.62 115.95 123.80 1mni h TRP 7 Ca 0.09 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.04 1mni h TRP 7 Cb 0.56 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1mni h TRP 7 CO 0.05 0.42 0.06 0.37 -3.56 0.00 0.00 178.44 175.78 1mni h GLN 8 N 0.95 0.47 -0.72 0.49 5.75 -1.19 0.83 115.11 121.69 1mni h GLN 8 Ca 0.50 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1mni h GLN 8 Cb 0.55 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1mni h GLN 8 CO -0.27 0.56 0.42 -0.07 -2.65 0.00 0.00 178.83 176.81 1mni h LEU 9 N 0.30 0.88 0.14 -2.39 3.38 -0.51 -0.08 115.31 117.03 1mni h LEU 9 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mni h LEU 9 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1mni h LEU 9 CO 0.00 0.70 -0.07 0.58 0.09 0.00 0.00 178.44 179.74 1mni h VAL 10 N 0.98 0.87 0.00 1.22 2.07 -1.10 -1.80 116.25 118.50 1mni h VAL 10 Ca 0.26 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 1mni h VAL 10 Cb -0.00 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1mni h VAL 10 CO -0.05 0.01 -0.29 -0.07 0.02 0.00 0.00 177.57 177.19 1mni h LEU 11 N -0.21 0.00 -0.17 2.57 3.38 -0.59 -1.10 115.31 119.18 1mni h LEU 11 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1mni h LEU 11 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1mni h LEU 11 CO 0.03 0.29 -0.14 0.78 0.09 0.00 0.00 178.44 179.49 1mni h ASN 12 N 0.00 0.43 -0.46 -0.43 -0.26 -0.65 -2.55 115.58 111.65 1mni h ASN 12 Ca -0.00 -0.46 0.03 0.00 -0.56 0.00 0.00 56.30 55.31 1mni h ASN 12 Cb 0.74 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.85 1mni h ASN 12 CO 0.04 0.80 0.25 0.58 -1.06 0.00 0.00 177.43 178.03 1mni h VAL 13 N 0.06 1.00 -0.47 2.81 2.07 -1.24 -2.73 116.25 117.76 1mni h VAL 13 Ca 0.03 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1mni h VAL 13 Cb 0.66 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1mni h VAL 13 CO 0.04 0.09 0.31 -0.25 0.02 0.00 0.00 177.57 177.78 1mni h TRP 14 N 0.50 0.46 -0.01 1.57 2.91 -1.15 -1.42 115.95 118.80 1mni h TRP 14 Ca 0.20 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.19 1mni h TRP 14 Cb 0.07 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 1mni h TRP 14 CO -0.09 0.26 -0.16 0.78 -1.03 0.00 0.00 178.44 178.20 1mni h GLY 15 N 0.47 0.02 1.48 2.65 0.00 -1.12 -2.02 103.07 104.55 1mni h GLY 15 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 1mni h GLY 15 CO -0.05 0.01 -0.20 0.50 0.00 0.00 0.00 176.54 176.79 1mni h LYS 16 N 0.02 0.60 -0.20 4.80 1.79 -1.39 -2.83 116.57 119.36 1mni h LYS 16 Ca 0.00 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.19 1mni h LYS 16 Cb 0.30 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1mni h LYS 16 CO 0.02 0.77 -0.10 0.28 -1.08 0.00 0.00 179.45 179.34 1mni h VAL 17 N 0.54 1.31 0.00 0.50 2.07 -1.49 -3.20 116.25 115.98 1mni h VAL 17 Ca 0.08 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1mni h VAL 17 Cb 0.65 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1mni h VAL 17 CO 0.05 0.36 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 1mni n GLU 18 N -4.55 0.17 0.00 1.57 1.02 -0.80 -1.28 120.64 116.77 1mni n GLU 18 Ca -0.05 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1mni n GLU 18 Cb 0.33 -1.87 0.61 0.00 -0.02 0.00 0.00 31.44 30.49 1mni n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mni n ALA 19 N -1.75 2.28 -2.71 0.62 0.00 -1.09 -4.35 120.51 113.50 1mni n ALA 19 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1mni n ALA 19 Cb 0.17 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.25 1mni n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mni n ASP 20 N -1.45 -2.18 -0.11 0.00 2.03 -0.40 -5.06 116.55 109.37 1mni n ASP 20 Ca 0.08 -2.74 -0.11 0.00 0.52 0.00 0.00 54.79 52.54 1mni n ASP 20 Cb 0.30 1.42 -0.03 0.00 -0.72 0.00 0.00 41.12 42.09 1mni n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mni h VAL 21 N 2.25 1.28 -0.06 5.18 2.07 -1.53 -2.45 116.25 122.99 1mni h VAL 21 Ca -0.19 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 1mni h VAL 21 Cb 1.11 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1mni h VAL 21 CO 0.11 0.37 -0.37 0.00 0.02 0.00 0.00 177.57 177.70 1mni h ALA 22 N 0.80 1.27 -0.13 1.67 0.00 -1.88 0.14 119.26 121.13 1mni h ALA 22 Ca 0.08 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1mni h ALA 22 Cb 0.58 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1mni h ALA 22 CO 0.03 0.52 -0.62 0.78 0.00 0.00 0.00 179.25 179.96 1mni h GLY 23 N 1.15 0.72 1.30 0.00 0.00 -1.90 -0.03 103.07 104.30 1mni h GLY 23 Ca 0.01 -1.01 -0.17 0.00 0.00 0.00 0.00 47.33 46.17 1mni h GLY 23 CO 0.05 0.90 -0.50 0.45 0.00 0.00 0.00 176.54 177.44 1mni h HIS 24 N 0.32 0.93 -0.31 5.60 3.86 -1.20 -2.26 115.15 122.08 1mni h HIS 24 Ca -0.04 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1mni h HIS 24 Cb 1.26 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1mni h HIS 24 CO 0.10 1.09 0.21 0.78 0.86 0.00 0.00 177.93 180.97 1mni h GLY 25 N 0.87 0.44 0.87 2.45 0.00 -0.60 -0.01 103.07 107.10 1mni h GLY 25 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1mni h GLY 25 CO 0.11 0.16 0.02 -1.61 0.00 0.00 0.00 176.54 175.22 1mni h GLN 26 N 0.42 0.08 -0.78 4.80 4.15 -1.05 -2.08 115.11 120.67 1mni h GLN 26 Ca 0.11 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1mni h GLN 26 Cb -0.05 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1mni h GLN 26 CO -0.02 0.19 0.51 1.49 -1.93 0.00 0.00 178.83 179.07 1mni h GLU 27 N -0.05 1.00 -0.29 1.69 4.22 -1.04 -1.54 114.58 118.56 1mni h GLU 27 Ca 0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1mni h GLU 27 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1mni h GLU 27 CO -0.00 0.66 0.05 0.28 -2.18 0.00 0.00 179.01 177.82 1mni h VAL 28 N 1.03 1.23 -0.35 0.32 2.07 -0.87 -0.82 116.25 118.85 1mni h VAL 28 Ca 0.29 -0.79 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 1mni h VAL 28 Cb -0.08 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1mni h VAL 28 CO -0.07 0.26 -0.41 -0.07 0.02 0.00 0.00 177.57 177.30 1mni h LEU 29 N 0.30 0.95 -1.02 2.57 3.38 -0.96 -0.68 115.31 119.85 1mni h LEU 29 Ca 0.09 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1mni h LEU 29 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1mni h LEU 29 CO 0.01 1.23 0.00 0.40 0.09 0.00 0.00 178.44 180.17 1mni h ILE 30 N 0.71 1.23 -0.27 1.22 2.04 -1.20 -0.94 117.51 120.31 1mni h ILE 30 Ca 0.05 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1mni h ILE 30 Cb 1.00 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1mni h ILE 30 CO 0.10 0.33 -0.03 0.03 0.00 0.00 0.00 178.15 178.57 1mni h ARG 31 N 0.66 0.49 -0.36 2.37 2.47 -0.81 -0.89 114.38 118.31 1mni h ARG 31 Ca 0.13 -0.17 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1mni h ARG 31 Cb 0.41 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 1mni h ARG 31 CO 0.02 0.68 0.16 1.25 0.56 0.00 0.00 179.97 182.64 1mni h LEU 32 N 0.26 0.22 -0.89 3.04 5.85 -0.88 0.12 115.31 123.03 1mni h LEU 32 Ca 0.07 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1mni h LEU 32 Cb 0.48 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1mni h LEU 32 CO 0.02 0.17 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.59 1mni h PHE 33 N 0.34 0.30 -0.01 1.25 0.04 -1.09 0.67 116.94 118.43 1mni h PHE 33 Ca 0.16 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1mni h PHE 33 Cb 0.09 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1mni h PHE 33 CO -0.11 0.65 -0.15 0.87 -0.60 0.00 0.00 178.31 178.96 1mni h LYS 34 N 0.21 0.13 -0.03 1.51 1.79 -0.81 -3.03 116.57 116.33 1mni h LYS 34 Ca 0.02 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.22 1mni h LYS 34 Cb 0.86 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1mni h LYS 34 CO 0.07 0.83 -0.66 0.78 -1.08 0.00 0.00 179.45 179.39 1mni h GLY 35 N -0.54 0.16 -6.28 3.86 0.00 -0.71 -3.40 103.07 96.16 1mni h GLY 35 Ca -0.02 -0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.58 1mni h GLY 35 CO 0.03 0.19 -0.89 0.30 0.00 0.00 0.00 176.54 176.17 1mni s HIS 36 N -3.59 0.64 0.49 5.60 3.76 0.22 -5.01 115.29 117.40 1mni s HIS 36 Ca -0.03 -1.90 0.20 0.00 -0.15 0.00 0.00 55.06 53.18 1mni s HIS 36 Cb 0.12 -0.75 1.23 0.00 1.11 0.00 0.00 32.58 34.29 1mni s HIS 36 CO 0.79 -0.88 1.99 -1.35 -0.85 0.00 0.00 174.74 174.43 1mni h PRO 37 N 5.96 0.18 -0.17 8.40 0.11 -1.70 -1.64 132.00 143.14 1mni h PRO 37 Ca 0.19 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.34 1mni h PRO 37 Cb 0.95 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1mni h PRO 37 CO 0.30 0.12 0.18 1.05 -0.21 0.00 0.00 178.00 179.43 1mni h GLU 38 N 0.18 0.00 0.00 1.05 9.09 -1.91 0.15 114.58 123.14 1mni h GLU 38 Ca 0.27 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.58 1mni h GLU 38 Cb 0.81 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.89 1mni h GLU 38 CO -0.04 0.00 -0.45 1.79 0.05 0.00 0.00 179.01 180.36 1mni h THR 39 N 0.00 1.08 -0.60 -1.06 1.35 -1.63 -3.10 112.91 108.95 1mni h THR 39 Ca 0.08 -1.69 0.08 0.00 -0.55 0.00 0.00 66.41 64.34 1mni h THR 39 Cb 0.43 1.98 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 1mni h THR 39 CO -0.00 0.44 0.40 0.25 -0.25 0.00 0.00 175.52 176.36 1mni h LEU 40 N 0.00 0.42 -2.39 3.87 5.85 -1.11 -2.53 115.31 119.42 1mni h LEU 40 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mni h LEU 40 Cb 0.94 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1mni h LEU 40 CO 0.06 0.26 0.00 -0.33 -0.34 0.00 0.00 178.44 178.09 1mni h GLU 41 N 0.47 0.00 0.00 1.25 4.39 -1.68 -0.01 114.58 119.00 1mni h GLU 41 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1mni h GLU 41 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1mni h GLU 41 CO -0.08 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.40 1mni n LYS 42 N -3.97 0.18 -3.38 2.33 4.76 -0.95 -4.36 118.16 112.76 1mni n LYS 42 Ca -0.03 0.25 -0.45 0.00 -2.87 0.00 0.00 58.31 55.22 1mni n LYS 42 Cb 0.08 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.46 1mni n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mni s PHE 43 N -3.15 3.35 0.25 2.13 0.40 -0.02 -4.87 117.98 116.08 1mni s PHE 43 Ca 0.09 -1.54 -0.05 0.00 -0.60 0.00 0.00 56.93 54.83 1mni s PHE 43 Cb 0.12 -3.71 0.30 0.00 0.51 0.00 0.00 43.02 40.24 1mni s PHE 43 CO 0.49 -1.01 1.90 -0.44 0.70 0.00 0.00 175.22 176.86 1mni h ASP 44 N 8.64 1.04 0.36 1.36 5.19 -1.81 -1.05 116.42 130.14 1mni h ASP 44 Ca -0.23 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1mni h ASP 44 Cb 1.08 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1mni h ASP 44 CO 0.96 0.71 0.00 0.29 -3.12 0.00 0.00 179.24 178.08 1mni n LYS 45 N -4.48 0.04 0.00 3.56 5.02 -1.26 -3.50 118.16 117.54 1mni n LYS 45 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1mni n LYS 45 Cb 0.09 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1mni n LYS 45 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mni n PHE 46 N -1.66 0.00 0.24 2.13 3.72 -0.44 -4.75 117.46 116.70 1mni n PHE 46 Ca 0.02 -0.33 0.10 0.00 -0.05 0.00 0.00 57.45 57.19 1mni n PHE 46 Cb 0.12 -0.03 0.58 0.00 -0.94 0.00 0.00 39.48 39.21 1mni n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1mni h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.50 -2.12 116.57 113.97 1mni h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1mni h LYS 47 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1mni h LYS 47 CO 0.00 0.20 0.00 1.12 -2.00 0.00 0.00 179.45 178.77 1mni h HIS 48 N 0.00 0.00 -3.17 0.07 2.07 -1.85 -3.45 115.15 108.82 1mni h HIS 48 Ca -0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1mni h HIS 48 Cb 0.52 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.51 1mni h HIS 48 CO 0.00 0.00 0.59 -0.51 -3.07 0.00 0.00 177.93 174.94 1mni s LEU 49 N -6.09 4.37 0.00 6.12 1.43 -0.80 -4.93 118.68 118.78 1mni s LEU 49 Ca -0.00 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1mni s LEU 49 Cb 0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.74 1mni s LEU 49 CO 0.50 -0.50 0.54 2.29 0.23 0.00 0.00 176.35 179.41 1mni n LYS 50 N 3.86 -0.80 -4.07 1.70 0.00 -1.26 -5.03 118.16 112.57 1mni n LYS 50 Ca 0.09 -0.57 -0.10 0.00 -0.00 0.00 0.00 58.31 57.73 1mni n LYS 50 Cb 0.45 -1.02 -0.09 0.00 -0.00 0.00 0.00 35.03 34.38 1mni n LYS 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1mni s SER 51 N -0.09 0.16 0.45 -5.58 1.04 -1.26 -4.99 113.70 103.43 1mni s SER 51 Ca 0.01 -1.07 0.15 0.00 0.48 0.00 0.00 55.95 55.52 1mni s SER 51 Cb 0.01 0.37 1.01 0.00 0.10 0.00 0.00 66.02 67.51 1mni s SER 51 CO 0.01 -0.83 1.99 -0.08 0.98 0.00 0.00 173.24 175.31 1mni h GLU 52 N 2.68 0.00 -0.58 4.02 4.81 -1.99 -1.58 114.58 121.95 1mni h GLU 52 Ca -0.33 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1mni h GLU 52 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1mni h GLU 52 CO 0.53 0.19 0.06 -0.44 -0.73 0.00 0.00 179.01 178.62 1mni h ASP 53 N 0.00 0.96 0.33 1.04 5.19 -1.98 0.63 116.42 122.59 1mni h ASP 53 Ca -0.00 -0.28 -0.16 0.00 -0.62 0.00 0.00 57.03 55.97 1mni h ASP 53 Cb 0.34 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1mni h ASP 53 CO 0.02 0.99 -0.63 -0.33 -3.12 0.00 0.00 179.24 176.18 1mni h GLU 54 N 0.88 0.29 -0.29 3.56 5.08 -1.76 -2.65 114.58 119.70 1mni h GLU 54 Ca 0.17 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1mni h GLU 54 Cb 0.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1mni h GLU 54 CO 0.02 0.83 0.15 0.52 -1.00 0.00 0.00 179.01 179.53 1mni h MET 55 N 0.21 0.41 0.00 2.33 2.86 -1.06 -1.48 114.93 118.21 1mni h MET 55 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1mni h MET 55 Cb 1.16 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1mni h MET 55 CO 0.10 0.36 -0.17 0.87 1.06 0.00 0.00 176.91 179.13 1mni h LYS 56 N 0.35 0.00 0.00 1.72 1.79 -0.87 -2.67 116.57 116.89 1mni h LYS 56 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1mni h LYS 56 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1mni h LYS 56 CO -0.02 0.17 -1.03 0.00 -1.08 0.00 0.00 179.45 177.50 1mni n ALA 57 N -2.45 2.54 -1.77 3.86 0.00 -0.95 -4.90 120.51 116.83 1mni n ALA 57 Ca -0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1mni n ALA 57 Cb 0.24 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1mni n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mni s SER 58 N -5.32 6.16 0.12 0.00 0.15 -0.60 -4.87 113.70 109.35 1mni s SER 58 Ca -0.01 2.19 -0.14 0.00 0.70 0.00 0.00 55.95 58.69 1mni s SER 58 Cb 0.10 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1mni s SER 58 CO 0.79 -1.35 1.52 -0.08 1.20 0.00 0.00 173.24 175.32 1mni h GLU 59 N 11.84 0.75 -0.18 5.44 4.81 -1.90 -3.06 114.58 132.27 1mni h GLU 59 Ca -0.43 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 58.41 1mni h GLU 59 Cb 1.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1mni h GLU 59 CO 0.96 0.90 -0.32 -0.44 -0.73 0.00 0.00 179.01 179.39 1mni h ASP 60 N 0.55 0.37 -0.05 1.04 3.32 -1.97 -2.45 116.42 117.23 1mni h ASP 60 Ca 0.09 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1mni h ASP 60 Cb 0.64 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1mni h ASP 60 CO 0.04 0.67 -0.07 0.25 -1.72 0.00 0.00 179.24 178.41 1mni h LEU 61 N 0.31 0.27 -0.51 1.55 6.46 -1.86 -1.93 115.31 119.60 1mni h LEU 61 Ca 0.04 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 1mni h LEU 61 Cb 0.71 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1mni h LEU 61 CO 0.05 0.39 -0.12 0.50 -0.62 0.00 0.00 178.44 178.64 1mni h LYS 62 N 0.28 0.98 -0.17 1.25 3.64 -1.37 0.47 116.57 121.66 1mni h LYS 62 Ca 0.06 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1mni h LYS 62 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1mni h LYS 62 CO 0.01 1.05 0.03 0.87 -2.27 0.00 0.00 179.45 179.15 1mni h LYS 63 N 0.84 0.27 -0.49 1.90 6.56 -1.24 0.96 116.57 125.37 1mni h LYS 63 Ca 0.13 -0.07 -0.12 0.00 -1.06 0.00 0.00 60.65 59.53 1mni h LYS 63 Cb 0.69 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 1mni h LYS 63 CO 0.05 0.43 -0.16 0.28 -2.06 0.00 0.00 179.45 177.99 1mni h VAL 64 N 0.07 1.27 -0.32 0.50 2.07 -1.22 -0.99 116.25 117.63 1mni h VAL 64 Ca 0.05 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1mni h VAL 64 Cb 0.28 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1mni h VAL 64 CO 0.00 0.45 0.15 1.23 0.02 0.00 0.00 177.57 179.42 1mni h GLY 65 N 0.93 0.49 0.83 2.17 0.00 -0.78 -1.72 103.07 104.99 1mni h GLY 65 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1mni h GLY 65 CO 0.05 0.24 0.00 -0.57 0.00 0.00 0.00 176.54 176.26 1mni h ASN 66 N 0.37 -0.04 -0.22 0.19 -0.73 -0.61 -2.14 115.58 112.40 1mni h ASN 66 Ca 0.11 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.36 1mni h ASN 66 Cb 0.13 0.04 -0.06 0.00 0.27 0.00 0.00 38.32 38.71 1mni h ASN 66 CO -0.01 -0.00 -0.14 0.74 -0.37 0.00 0.00 177.43 177.64 1mni h THR 67 N 0.04 0.59 -0.22 -3.57 2.02 -1.03 0.47 112.91 111.20 1mni h THR 67 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1mni h THR 67 Cb 0.06 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1mni h THR 67 CO -0.09 0.00 0.10 0.45 0.37 0.00 0.00 175.52 176.35 1mni h HIS 68 N -0.13 0.19 0.01 3.16 3.86 -1.16 -1.51 115.15 119.57 1mni h HIS 68 Ca 0.13 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 59.14 1mni h HIS 68 Cb 0.32 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1mni h HIS 68 CO -0.30 0.11 -0.92 -0.07 0.86 0.00 0.00 177.93 177.60 1mni h LEU 69 N 0.23 0.32 -0.38 2.43 3.38 -1.02 -2.65 115.31 117.62 1mni h LEU 69 Ca 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1mni h LEU 69 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1mni h LEU 69 CO -0.07 1.08 0.19 0.74 0.09 0.00 0.00 178.44 180.48 1mni h THR 70 N 0.13 1.16 -0.33 0.22 2.02 -0.85 -0.93 112.91 114.33 1mni h THR 70 Ca -0.06 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1mni h THR 70 Cb 1.56 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1mni h THR 70 CO 0.14 0.17 0.13 0.00 0.37 0.00 0.00 175.52 176.33 1mni h ALA 71 N 1.05 0.44 -0.03 6.16 0.00 -1.24 -2.95 119.26 122.69 1mni h ALA 71 Ca 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mni h ALA 71 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1mni h ALA 71 CO -0.02 0.04 -0.04 1.25 0.00 0.00 0.00 179.25 180.48 1mni h LEU 72 N 0.39 -0.12 -1.19 0.00 5.85 -1.36 -1.46 115.31 117.43 1mni h LEU 72 Ca 0.11 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.96 1mni h LEU 72 Cb 0.19 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1mni h LEU 72 CO -0.01 -0.06 0.58 1.23 -0.34 0.00 0.00 178.44 179.85 1mni h GLY 73 N -0.06 1.32 0.91 3.75 0.00 -1.09 -1.31 103.07 106.59 1mni h GLY 73 Ca 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1mni h GLY 73 CO -0.06 0.18 0.00 -1.33 0.00 0.00 0.00 176.54 175.33 1mni h GLY 74 N 0.87 0.01 1.04 4.60 0.00 -1.32 -1.97 103.07 106.30 1mni h GLY 74 Ca 0.43 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1mni h GLY 74 CO -0.19 0.00 -0.10 -2.22 0.00 0.00 0.00 176.54 174.03 1mni h ILE 75 N -0.08 1.27 -0.74 2.60 2.04 -0.18 -3.17 117.51 119.24 1mni h ILE 75 Ca 0.00 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.66 1mni h ILE 75 Cb 0.09 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1mni h ILE 75 CO -0.00 0.42 0.49 -0.07 0.00 0.00 0.00 178.15 178.99 1mni h LEU 76 N 0.75 0.82 -1.03 1.44 3.38 -1.22 -0.81 115.31 118.64 1mni h LEU 76 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mni h LEU 76 Cb 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1mni h LEU 76 CO 0.04 0.58 0.00 0.11 0.09 0.00 0.00 178.44 179.27 1mni h LYS 77 N 0.96 0.00 0.00 1.13 1.57 -1.33 -1.57 116.57 117.34 1mni h LYS 77 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1mni h LYS 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1mni h LYS 77 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 1mni n LYS 78 N -2.44 0.19 -3.81 3.15 4.76 -0.31 -4.92 118.16 114.78 1mni n LYS 78 Ca 0.01 0.24 -0.23 0.00 -2.87 0.00 0.00 58.31 55.46 1mni n LYS 78 Cb 0.21 -1.76 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 1mni n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mni n LYS 79 N -2.11 -4.00 0.00 1.97 5.02 -0.59 -1.32 118.16 117.13 1mni n LYS 79 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1mni n LYS 79 Cb 0.35 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 1mni n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mni n GLY 80 N -1.76 2.19 2.79 0.72 0.00 -1.26 -4.96 105.19 102.91 1mni n GLY 80 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1mni n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mni n HIS 81 N -2.00 2.82 -1.17 1.61 8.25 -0.43 -4.66 115.22 119.63 1mni n HIS 81 Ca 0.00 -3.08 0.07 0.00 -0.26 0.00 0.00 57.72 54.45 1mni n HIS 81 Cb 0.00 -1.00 0.19 0.00 1.12 0.00 0.00 29.99 30.29 1mni n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mni n HIS 82 N 0.84 0.38 -0.22 4.41 1.44 -1.26 -4.75 115.22 116.06 1mni n HIS 82 Ca 0.31 -1.11 0.01 0.00 -2.01 0.00 0.00 57.72 54.92 1mni n HIS 82 Cb 0.34 -0.25 0.13 0.00 0.12 0.00 0.00 29.99 30.34 1mni n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1mni h GLU 83 N 0.74 0.45 -0.35 -1.40 4.81 -1.99 0.26 114.58 117.09 1mni h GLU 83 Ca 0.03 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1mni h GLU 83 Cb 1.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1mni h GLU 83 CO 0.11 0.30 -0.19 0.00 -0.73 0.00 0.00 179.01 178.49 1mni h ALA 84 N 1.45 1.01 -0.05 2.92 0.00 -2.00 -1.93 119.26 120.64 1mni h ALA 84 Ca 0.34 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1mni h ALA 84 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mni h ALA 84 CO -0.32 0.59 -0.68 0.93 0.00 0.00 0.00 179.25 179.77 1mni h GLU 85 N 0.59 0.25 0.00 0.00 3.07 -1.67 -3.28 114.58 113.54 1mni h GLU 85 Ca 0.09 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 1mni h GLU 85 Cb 0.66 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1mni h GLU 85 CO 0.05 0.84 -0.46 1.25 -1.40 0.00 0.00 179.01 179.28 1mni h LEU 86 N 0.17 0.00 0.26 1.33 5.85 -0.20 -3.35 115.31 119.38 1mni h LEU 86 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1mni h LEU 86 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1mni h LEU 86 CO 0.11 0.27 -0.23 0.74 -0.34 0.00 0.00 178.44 179.00 1mni h THR 87 N 0.00 0.52 -0.34 1.05 2.02 -1.42 -0.94 112.91 113.80 1mni h THR 87 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1mni h THR 87 Cb 1.23 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1mni h THR 87 CO 0.03 0.00 0.10 1.55 0.37 0.00 0.00 175.52 177.57 1mni h PRO 88 N -0.51 0.48 -0.27 6.66 0.13 -1.76 -0.71 132.00 136.02 1mni h PRO 88 Ca -0.01 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 1mni h PRO 88 Cb 0.46 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1mni h PRO 88 CO -0.03 0.43 -0.21 1.25 -0.23 0.00 0.00 178.00 179.21 1mni h LEU 89 N 0.48 0.66 -0.73 1.56 5.85 -1.62 -0.95 115.31 120.55 1mni h LEU 89 Ca 0.12 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 1mni h LEU 89 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1mni h LEU 89 CO -0.01 0.97 0.20 0.00 -0.34 0.00 0.00 178.44 179.26 1mni h ALA 90 N 0.71 0.96 0.73 1.25 0.00 -0.92 -0.57 119.26 121.43 1mni h ALA 90 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mni h ALA 90 Cb 0.76 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1mni h ALA 90 CO 0.06 0.67 -0.42 1.96 0.00 0.00 0.00 179.25 181.52 1mni h GLN 91 N 1.10 -1.03 -0.31 0.00 4.20 -0.96 0.32 115.11 118.43 1mni h GLN 91 Ca 0.23 0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 1mni h GLN 91 Cb 0.35 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1mni h GLN 91 CO -0.00 -0.69 -0.21 0.66 -0.67 0.00 0.00 178.83 177.92 1mni h SER 92 N -1.07 0.59 0.37 1.46 4.64 -1.09 -0.56 113.55 117.89 1mni h SER 92 Ca -0.10 -0.19 -0.21 0.00 -0.47 0.00 0.00 61.79 60.82 1mni h SER 92 Cb 0.85 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1mni h SER 92 CO 0.12 0.80 -0.88 0.45 -0.87 0.00 0.00 176.83 176.45 1mni h HIS 93 N 0.53 0.53 0.16 4.77 3.86 -1.04 0.37 115.15 124.33 1mni h HIS 93 Ca 0.08 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1mni h HIS 93 Cb 0.65 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1mni h HIS 93 CO 0.03 1.08 -0.08 0.00 0.86 0.00 0.00 177.93 179.82 1mni h ALA 94 N 0.83 -0.21 0.00 2.45 0.00 -0.33 0.84 119.26 122.84 1mni h ALA 94 Ca -0.06 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1mni h ALA 94 Cb 1.51 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1mni h ALA 94 CO 0.15 -0.23 -1.19 1.79 0.00 0.00 0.00 179.25 179.77 1mni h THR 95 N -0.98 1.49 0.00 0.00 1.35 -1.21 -3.20 112.91 110.37 1mni h THR 95 Ca -0.02 -3.23 -0.17 0.00 -0.55 0.00 0.00 66.41 62.43 1mni h THR 95 Cb 0.42 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 1mni h THR 95 CO 0.04 0.85 -1.43 1.17 -0.25 0.00 0.00 175.52 175.90 1mni n LYS 96 N -3.28 0.39 0.08 4.72 4.81 -0.43 -4.66 118.16 119.78 1mni n LYS 96 Ca -0.05 0.16 0.13 0.00 -0.87 0.00 0.00 58.31 57.68 1mni n LYS 96 Cb 0.97 -1.16 0.34 0.00 0.02 0.00 0.00 35.03 35.21 1mni n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1mni n HIS 97 N -4.00 0.68 -3.33 5.64 -0.00 0.12 -4.93 115.22 109.40 1mni n HIS 97 Ca -0.25 0.20 -0.16 0.00 -0.00 0.00 0.00 57.72 57.51 1mni n HIS 97 Cb 0.58 -0.78 0.08 0.00 -0.00 0.00 0.00 29.99 29.86 1mni n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1mni n LYS 98 N -2.11 -4.02 -3.58 -0.41 4.76 -0.04 -4.92 118.16 107.84 1mni n LYS 98 Ca 0.05 0.86 -0.39 0.00 -2.87 0.00 0.00 58.31 55.95 1mni n LYS 98 Cb 0.42 -5.84 -0.11 0.00 -1.84 0.00 0.00 35.03 27.66 1mni n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mni s ILE 99 N -3.38 5.04 0.64 -0.18 -1.09 0.27 -4.99 121.20 117.51 1mni s ILE 99 Ca 0.27 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.27 1mni s ILE 99 Cb -0.04 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1mni s ILE 99 CO 0.74 0.04 1.22 -2.16 -1.23 0.00 0.00 174.94 173.56 1mni s PRO 100 N 1.69 2.69 0.24 2.79 0.04 -1.26 -4.61 135.00 136.58 1mni s PRO 100 Ca 0.06 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1mni s PRO 100 Cb -0.17 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.70 1mni s PRO 100 CO 0.09 -1.43 1.89 0.28 0.04 0.00 0.00 177.00 177.86 1mni h VAL 101 N 0.53 1.25 -0.14 -0.36 2.07 -1.97 -2.23 116.25 115.40 1mni h VAL 101 Ca -0.50 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1mni h VAL 101 Cb 1.30 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1mni h VAL 101 CO 0.53 0.26 0.21 0.50 0.02 0.00 0.00 177.57 179.10 1mni h LYS 102 N 1.27 0.00 0.00 1.57 3.64 -1.98 0.40 116.57 121.47 1mni h LYS 102 Ca 0.33 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1mni h LYS 102 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1mni h LYS 102 CO -0.06 0.00 -0.35 1.88 -2.27 0.00 0.00 179.45 178.65 1mni h TYR 103 N 0.00 0.00 -0.35 1.91 -1.99 -1.77 -1.32 116.97 113.45 1mni h TYR 103 Ca 0.07 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.68 1mni h TYR 103 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1mni h TYR 103 CO 0.00 0.35 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.19 1mni h LEU 104 N 0.00 0.71 -0.69 3.88 3.38 -0.27 -2.02 115.31 120.30 1mni h LEU 104 Ca -0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1mni h LEU 104 Cb 0.79 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1mni h LEU 104 CO 0.05 0.93 -0.31 -0.33 0.09 0.00 0.00 178.44 178.87 1mni h GLU 105 N 0.61 0.67 -0.48 1.13 5.08 -0.96 -2.27 114.58 118.35 1mni h GLU 105 Ca 0.08 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1mni h GLU 105 Cb 0.74 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1mni h GLU 105 CO 0.06 0.90 0.32 0.74 -1.00 0.00 0.00 179.01 180.02 1mni h PHE 106 N 0.57 0.61 0.00 4.33 0.04 -0.75 -0.91 116.94 120.83 1mni h PHE 106 Ca 0.07 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 1mni h PHE 106 Cb 0.81 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 1mni h PHE 106 CO 0.04 0.38 -0.73 0.97 -0.60 0.00 0.00 178.31 178.37 1mni h ILE 107 N 0.65 1.52 -0.30 -0.55 2.10 -1.28 -2.40 117.51 117.25 1mni h ILE 107 Ca 0.18 -2.50 -0.01 0.00 1.08 0.00 0.00 64.86 63.60 1mni h ILE 107 Cb -0.07 2.35 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 1mni h ILE 107 CO -0.04 0.71 0.13 0.28 -1.08 0.00 0.00 178.15 178.16 1mni h SER 108 N 0.00 0.41 -0.69 2.19 0.02 -1.15 -0.67 113.55 113.66 1mni h SER 108 Ca -0.01 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1mni h SER 108 Cb 1.29 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1mni h SER 108 CO 0.09 0.44 0.31 -0.08 -1.14 0.00 0.00 176.83 176.46 1mni h GLU 109 N 0.35 1.03 -0.77 3.45 4.81 -0.93 -2.37 114.58 120.16 1mni h GLU 109 Ca 0.10 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1mni h GLU 109 Cb 0.15 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1mni h GLU 109 CO -0.01 0.82 0.36 0.00 -0.73 0.00 0.00 179.01 179.45 1mni h ALA 110 N 1.32 1.20 -0.25 2.92 0.00 -1.21 -1.30 119.26 121.94 1mni h ALA 110 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1mni h ALA 110 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1mni h ALA 110 CO -0.03 0.61 0.11 0.82 0.00 0.00 0.00 179.25 180.76 1mni h ILE 111 N 1.09 1.16 -0.70 0.00 2.04 -0.63 -0.82 117.51 119.65 1mni h ILE 111 Ca 0.26 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1mni h ILE 111 Cb 0.12 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1mni h ILE 111 CO -0.03 0.16 0.41 0.40 0.00 0.00 0.00 178.15 179.08 1mni h ILE 112 N 0.26 1.21 -0.81 -0.67 2.04 -1.30 0.10 117.51 118.34 1mni h ILE 112 Ca 0.08 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1mni h ILE 112 Cb 0.15 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1mni h ILE 112 CO -0.01 0.22 0.43 1.56 0.00 0.00 0.00 178.15 180.35 1mni h GLN 113 N 0.96 1.13 -0.36 2.37 4.20 -1.00 0.64 115.11 123.05 1mni h GLN 113 Ca 0.25 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 1mni h GLN 113 Cb -0.01 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1mni h GLN 113 CO -0.04 0.84 -0.38 0.28 -0.67 0.00 0.00 178.83 178.86 1mni h VAL 114 N 1.12 1.28 -0.20 -0.54 2.07 -0.67 -1.33 116.25 117.99 1mni h VAL 114 Ca 0.28 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1mni h VAL 114 Cb 0.04 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1mni h VAL 114 CO -0.04 0.51 0.05 -0.07 0.02 0.00 0.00 177.57 178.03 1mni h LEU 115 N 0.70 0.30 -0.51 2.57 3.38 -0.49 0.95 115.31 122.21 1mni h LEU 115 Ca 0.06 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1mni h LEU 115 Cb 0.95 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1mni h LEU 115 CO 0.09 0.46 0.29 -0.61 0.09 0.00 0.00 178.44 178.76 1mni h GLN 116 N 0.13 0.56 -0.11 1.13 5.75 -0.86 0.19 115.11 121.90 1mni h GLN 116 Ca 0.06 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1mni h GLN 116 Cb 0.27 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1mni h GLN 116 CO 0.00 0.37 -0.01 0.77 -2.65 0.00 0.00 178.83 177.31 1mni h SER 117 N 0.57 0.20 0.76 -0.69 0.02 -1.12 -3.16 113.55 110.14 1mni h SER 117 Ca 0.21 -0.32 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 1mni h SER 117 Cb 0.06 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1mni h SER 117 CO -0.12 0.48 -1.31 0.11 -1.14 0.00 0.00 176.83 174.85 1mni h LYS 118 N -0.08 0.02 -1.84 3.45 1.57 -0.77 -3.41 116.57 115.51 1mni h LYS 118 Ca 0.03 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 1mni h LYS 118 Cb 0.38 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.29 1mni h LYS 118 CO 0.01 0.82 -0.88 0.72 -0.57 0.00 0.00 179.45 179.55 1mni n HIS 119 N -3.25 2.52 -0.32 -1.35 8.25 0.68 -4.93 115.22 116.82 1mni n HIS 119 Ca -0.08 -3.56 0.03 0.00 -0.26 0.00 0.00 57.72 53.85 1mni n HIS 119 Cb 0.99 -0.36 0.17 0.00 1.12 0.00 0.00 29.99 31.91 1mni n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mni h PRO 120 N 2.89 0.90 -0.23 -0.41 0.13 -1.71 0.19 132.00 133.76 1mni h PRO 120 Ca 0.13 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.13 1mni h PRO 120 Cb 0.82 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1mni h PRO 120 CO 0.70 0.60 -0.17 0.78 -0.23 0.00 0.00 178.00 179.68 1mni h GLY 121 N 0.93 0.43 -0.36 1.56 0.00 -1.91 -2.23 103.07 101.48 1mni h GLY 121 Ca 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1mni h GLY 121 CO -0.22 0.28 -0.32 1.22 0.00 0.00 0.00 176.54 177.50 1mni n ASP 122 N -4.19 1.51 -3.65 0.19 8.00 -0.40 -4.49 116.55 113.51 1mni n ASP 122 Ca -0.00 -1.21 -0.33 0.00 0.71 0.00 0.00 54.79 53.96 1mni n ASP 122 Cb 0.33 0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1mni n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mni n PHE 123 N -0.29 3.12 -1.12 1.24 7.35 0.53 -4.88 117.46 123.41 1mni n PHE 123 Ca 0.11 -3.55 -0.13 0.00 -0.76 0.00 0.00 57.45 53.12 1mni n PHE 123 Cb 0.40 -0.83 0.10 0.00 0.35 0.00 0.00 39.48 39.50 1mni n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mni n GLY 124 N 1.04 -1.87 0.37 7.13 0.00 -1.26 -4.67 105.19 105.93 1mni n GLY 124 Ca 0.28 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1mni n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mni h ALA 125 N -2.10 1.35 -0.14 4.61 0.00 -1.96 -1.71 119.26 119.32 1mni h ALA 125 Ca -0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1mni h ALA 125 Cb 0.55 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mni h ALA 125 CO 0.13 0.55 -0.12 -0.44 0.00 0.00 0.00 179.25 179.36 1mni h ASP 126 N 1.25 0.35 -0.81 0.00 3.32 -1.99 -2.29 116.42 116.26 1mni h ASP 126 Ca 0.39 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1mni h ASP 126 Cb 0.00 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1mni h ASP 126 CO -0.12 0.75 0.50 0.00 -1.72 0.00 0.00 179.24 178.64 1mni h ALA 127 N 0.61 1.09 -0.07 3.45 0.00 -1.88 0.48 119.26 122.94 1mni h ALA 127 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mni h ALA 127 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mni h ALA 127 CO 0.03 0.25 0.04 1.96 0.00 0.00 0.00 179.25 181.53 1mni h GLN 128 N 0.92 0.10 -0.49 0.00 4.20 -1.31 0.41 115.11 118.94 1mni h GLN 128 Ca 0.34 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 1mni h GLN 128 Cb 0.13 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1mni h GLN 128 CO -0.16 0.13 -0.04 0.78 -0.67 0.00 0.00 178.83 178.88 1mni h GLY 129 N 0.03 0.91 0.80 3.46 0.00 -1.15 0.26 103.07 107.39 1mni h GLY 129 Ca 0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1mni h GLY 129 CO -0.00 0.60 -0.01 0.00 0.00 0.00 0.00 176.54 177.12 1mni h ALA 130 N 1.17 0.25 -0.75 3.60 0.00 -0.38 -2.13 119.26 121.03 1mni h ALA 130 Ca 0.14 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mni h ALA 130 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1mni h ALA 130 CO 0.03 -0.03 0.50 1.98 0.00 0.00 0.00 179.25 181.73 1mni h MET 131 N 0.08 0.98 -0.56 0.00 -1.53 -0.02 -2.64 114.93 111.24 1mni h MET 131 Ca 0.05 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1mni h MET 131 Cb 0.41 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.21 1mni h MET 131 CO 0.01 0.65 0.36 0.77 0.14 0.00 0.00 176.91 178.84 1mni h SER 132 N 1.01 0.66 -0.99 1.39 0.02 -0.33 -2.35 113.55 112.95 1mni h SER 132 Ca 0.27 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1mni h SER 132 Cb -0.12 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 1mni h SER 132 CO -0.06 0.50 0.65 0.11 -1.14 0.00 0.00 176.83 176.89 1mni h LYS 133 N 0.76 1.24 -0.38 3.45 1.57 -1.08 0.42 116.57 122.55 1mni h LYS 133 Ca 0.20 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1mni h LYS 133 Cb -0.06 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 1mni h LYS 133 CO -0.04 0.82 0.04 0.00 -0.57 0.00 0.00 179.45 179.69 1mni h ALA 134 N 1.41 0.51 -0.01 3.86 0.00 -1.35 0.19 119.26 123.87 1mni h ALA 134 Ca 0.39 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1mni h ALA 134 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1mni h ALA 134 CO -0.11 0.24 -0.74 -0.07 0.00 0.00 0.00 179.25 178.57 1mni h LEU 135 N 0.48 0.11 -0.42 0.00 3.38 -1.24 -0.98 115.31 116.65 1mni h LEU 135 Ca 0.11 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1mni h LEU 135 Cb 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1mni h LEU 135 CO 0.01 0.81 -0.71 -0.08 0.09 0.00 0.00 178.44 178.56 1mni h GLU 136 N 0.06 0.42 -0.35 1.13 4.81 -0.72 -0.53 114.58 119.40 1mni h GLU 136 Ca -0.02 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1mni h GLU 136 Cb 1.30 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1mni h GLU 136 CO 0.10 0.97 0.20 1.25 -0.73 0.00 0.00 179.01 180.80 1mni h LEU 137 N 0.29 0.43 -0.15 1.64 5.85 -0.40 -2.19 115.31 120.78 1mni h LEU 137 Ca -0.03 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1mni h LEU 137 Cb 1.28 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1mni h LEU 137 CO 0.12 0.37 -0.08 0.15 -0.34 0.00 0.00 178.44 178.66 1mni h PHE 138 N 0.44 -0.19 -0.85 1.25 3.57 -1.01 -2.00 116.94 118.15 1mni h PHE 138 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1mni h PHE 138 Cb 0.03 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1mni h PHE 138 CO -0.03 -0.13 0.56 0.00 -2.23 0.00 0.00 178.31 176.48 1mni h ARG 139 N -0.07 1.09 -0.24 1.11 3.08 -0.88 -1.29 114.38 117.17 1mni h ARG 139 Ca 0.08 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1mni h ARG 139 Cb 0.20 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1mni h ARG 139 CO -0.19 0.72 0.14 -0.91 -1.07 0.00 0.00 179.97 178.65 1mni h ASN 140 N 1.12 0.28 0.16 7.04 -0.26 -1.19 -0.61 115.58 122.12 1mni h ASN 140 Ca 0.32 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.91 1mni h ASN 140 Cb -0.07 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1mni h ASN 140 CO -0.09 0.26 -0.34 0.44 -1.06 0.00 0.00 177.43 176.64 1mni h ASP 141 N 0.29 0.27 -0.64 5.81 5.19 -1.13 -2.25 116.42 123.96 1mni h ASP 141 Ca 0.08 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1mni h ASP 141 Cb 0.03 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 1mni h ASP 141 CO -0.02 0.60 0.22 0.24 -3.12 0.00 0.00 179.24 177.17 1mni h MET 142 N 0.23 0.98 -0.27 3.56 2.86 -0.94 -1.46 114.93 119.89 1mni h MET 142 Ca 0.03 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1mni h MET 142 Cb 0.72 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1mni h MET 142 CO 0.05 0.85 -0.14 0.00 1.06 0.00 0.00 176.91 178.73 1mni h ALA 143 N 1.09 1.26 -0.23 6.32 0.00 -0.69 0.20 119.26 127.20 1mni h ALA 143 Ca 0.21 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1mni h ALA 143 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mni h ALA 143 CO -0.01 0.49 -0.62 0.00 0.00 0.00 0.00 179.25 179.11 1mni h ALA 144 N 1.43 0.46 -0.34 0.00 0.00 -1.25 -1.01 119.26 118.55 1mni h ALA 144 Ca 0.08 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1mni h ALA 144 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1mni h ALA 144 CO 0.03 0.69 -0.36 -0.22 0.00 0.00 0.00 179.25 179.38 1mni h LYS 145 N 0.59 0.78 0.26 0.00 3.64 -0.75 -1.77 116.57 119.32 1mni h LYS 145 Ca -0.01 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1mni h LYS 145 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1mni h LYS 145 CO 0.13 1.02 -0.12 1.88 -2.27 0.00 0.00 179.45 180.08 1mni h TYR 146 N 0.65 -0.32 -0.84 1.91 -1.99 -0.41 -2.62 116.97 113.34 1mni h TYR 146 Ca 0.06 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.90 1mni h TYR 146 Cb 0.91 0.11 -0.06 0.00 2.00 0.00 0.00 36.73 39.69 1mni h TYR 146 CO 0.05 -0.11 0.55 -0.22 -0.00 0.00 0.00 178.16 178.43 1mni h LYS 147 N -0.48 0.69 0.00 4.88 3.11 -1.15 -1.11 116.57 122.51 1mni h LYS 147 Ca -0.04 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1mni h LYS 147 Cb 0.36 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1mni h LYS 147 CO 0.06 0.46 0.00 -1.91 -2.81 0.00 0.00 179.45 175.25 1mni n GLU 148 N -4.53 0.20 0.00 1.90 2.13 -0.67 -2.38 120.64 117.30 1mni n GLU 148 Ca 0.15 0.20 0.13 0.00 0.66 0.00 0.00 57.16 58.31 1mni n GLU 148 Cb 0.39 -1.76 0.37 0.00 0.27 0.00 0.00 31.44 30.72 1mni n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1mni n LEU 149 N -2.12 1.88 0.00 4.31 4.77 -0.48 -4.94 117.00 120.42 1mni n LEU 149 Ca 0.05 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1mni n LEU 149 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1mni n LEU 149 CO 0.28 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1mni n GLY 150 N 1.25 0.67 4.02 -0.72 0.00 -1.00 -5.07 105.19 104.34 1mni n GLY 150 Ca 0.16 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1mni n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mni s PHE 151 N -2.00 2.35 0.23 1.61 2.19 -0.82 -4.98 117.98 116.56 1mni s PHE 151 Ca 0.00 -0.50 0.00 0.00 0.33 0.00 0.00 56.93 56.76 1mni s PHE 151 Cb 0.00 -2.33 0.00 0.00 -1.31 0.00 0.00 43.02 39.38 1mni s PHE 151 CO 0.00 -0.67 0.37 1.04 1.83 0.00 0.00 175.22 177.80 1mni n GLN 152 N -1.98 0.01 0.00 10.12 6.02 -1.26 -4.19 117.38 126.10 1mni n GLN 152 Ca 0.11 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1mni n GLN 152 Cb 0.60 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1mni n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46