#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 2.83 0.85 0.99 1.02 -1.26 -5.08 118.68 118.03 1mni s LEU 2 Ca 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.56 1mni s LEU 2 Cb 0.00 -1.65 0.10 0.00 0.02 0.00 0.00 46.19 44.66 1mni s LEU 2 CO 0.00 0.19 1.13 -0.94 0.02 0.00 0.00 176.35 176.74 1mni s SER 3 N -2.08 4.02 0.29 2.29 1.04 -1.26 -4.85 113.70 113.15 1mni s SER 3 Ca 0.19 1.07 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 1mni s SER 3 Cb -0.11 -1.71 0.42 0.00 0.10 0.00 0.00 66.02 64.73 1mni s SER 3 CO 0.11 -2.24 1.91 0.44 0.98 0.00 0.00 173.24 174.43 1mni h ASP 4 N -1.28 0.88 -0.49 7.02 3.32 -2.00 -1.27 116.42 122.60 1mni h ASP 4 Ca -0.49 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 1mni h ASP 4 Cb 1.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1mni h ASP 4 CO 0.61 0.72 0.13 1.23 -1.72 0.00 0.00 179.24 180.22 1mni h GLY 5 N 1.04 0.90 0.95 2.75 0.00 -1.99 -1.97 103.07 104.76 1mni h GLY 5 Ca 0.25 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1mni h GLY 5 CO -0.04 0.49 -0.41 0.83 0.00 0.00 0.00 176.54 177.41 1mni h GLU 6 N 0.81 0.63 -0.75 4.80 5.08 -1.65 -2.44 114.58 121.06 1mni h GLU 6 Ca 0.18 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1mni h GLU 6 Cb 0.30 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1mni h GLU 6 CO -0.00 1.03 0.48 -1.49 -1.00 0.00 0.00 179.01 178.03 1mni h TRP 7 N 0.31 0.96 -0.10 4.33 -0.00 -1.14 -2.13 115.95 118.19 1mni h TRP 7 Ca 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1mni h TRP 7 Cb 1.01 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.85 1mni h TRP 7 CO 0.09 0.62 0.04 0.37 -0.00 0.00 0.00 178.44 179.56 1mni h GLN 8 N 1.03 0.15 -0.72 0.49 5.75 -1.17 0.11 115.11 120.75 1mni h GLN 8 Ca 0.27 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1mni h GLN 8 Cb -0.08 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1mni h GLN 8 CO -0.06 0.28 0.45 -0.07 -2.65 0.00 0.00 178.83 176.78 1mni h LEU 9 N -0.01 0.85 0.16 -2.39 3.38 -1.04 -0.23 115.31 116.03 1mni h LEU 9 Ca 0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mni h LEU 9 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1mni h LEU 9 CO -0.00 0.64 -0.26 0.58 0.09 0.00 0.00 178.44 179.49 1mni h VAL 10 N 0.98 0.44 -0.14 1.22 2.07 -1.22 -1.79 116.25 117.81 1mni h VAL 10 Ca 0.26 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.69 1mni h VAL 10 Cb -0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1mni h VAL 10 CO -0.05 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.16 1mni h LEU 11 N -0.49 0.27 -0.25 2.57 3.38 -0.69 -0.44 115.31 119.66 1mni h LEU 11 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1mni h LEU 11 Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1mni h LEU 11 CO -0.12 0.57 0.06 0.78 0.09 0.00 0.00 178.44 179.83 1mni h ASN 12 N 0.23 0.38 0.11 -0.43 2.35 -0.63 -2.16 115.58 115.43 1mni h ASN 12 Ca 0.03 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1mni h ASN 12 Cb 0.67 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1mni h ASN 12 CO 0.05 0.50 -0.34 -0.37 -1.65 0.00 0.00 177.43 175.62 1mni h VAL 13 N 0.23 1.28 -0.13 2.81 -1.51 -1.03 -2.50 116.25 115.40 1mni h VAL 13 Ca 0.08 -1.39 -0.03 0.00 -1.23 0.00 0.00 66.70 64.13 1mni h VAL 13 Cb 0.27 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1mni h VAL 13 CO 0.00 0.42 -0.05 -0.25 -1.23 0.00 0.00 177.57 176.46 1mni h TRP 14 N 0.29 0.20 -0.60 5.19 2.91 -0.92 -0.90 115.95 122.10 1mni h TRP 14 Ca 0.03 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.09 1mni h TRP 14 Cb 0.74 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.30 1mni h TRP 14 CO 0.02 0.26 0.40 0.78 -1.03 0.00 0.00 178.44 178.86 1mni h GLY 15 N 0.53 0.77 0.99 2.65 0.00 -0.91 -0.89 103.07 106.20 1mni h GLY 15 Ca 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1mni h GLY 15 CO 0.01 0.21 0.25 0.50 0.00 0.00 0.00 176.54 177.50 1mni h LYS 16 N 0.64 0.88 -0.45 4.80 6.56 -1.28 -2.82 116.57 124.90 1mni h LYS 16 Ca 0.25 -0.15 -0.10 0.00 -1.06 0.00 0.00 60.65 59.59 1mni h LYS 16 Cb 0.20 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1mni h LYS 16 CO -0.07 0.74 -0.12 0.28 -2.06 0.00 0.00 179.45 178.22 1mni h VAL 17 N 0.82 1.26 0.00 0.50 2.07 -1.13 -3.14 116.25 116.63 1mni h VAL 17 Ca 0.20 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1mni h VAL 17 Cb 0.18 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1mni h VAL 17 CO -0.02 0.41 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 1mni h GLU 18 N 0.74 0.00 0.00 1.57 5.08 -0.99 -1.66 114.58 119.32 1mni h GLU 18 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1mni h GLU 18 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1mni h GLU 18 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1mni n ALA 19 N -1.99 2.22 -2.77 3.43 0.00 -1.16 -4.26 120.51 115.98 1mni n ALA 19 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1mni n ALA 19 Cb 0.23 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.62 -2.93 -0.07 0.00 2.03 -0.76 -5.04 116.55 108.15 1mni n ASP 20 Ca 0.06 -3.21 -0.12 0.00 0.52 0.00 0.00 54.79 52.04 1mni n ASP 20 Cb 0.33 1.75 -0.05 0.00 -0.72 0.00 0.00 41.12 42.42 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 3.38 1.30 -0.60 5.18 2.07 -1.51 -2.76 116.25 123.31 1mni h VAL 21 Ca -0.10 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1mni h VAL 21 Cb 1.04 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1mni h VAL 21 CO 0.27 0.35 0.23 0.00 0.02 0.00 0.00 177.57 178.44 1mni h ALA 22 N 0.71 1.28 -0.26 1.67 0.00 -1.88 0.39 119.26 121.16 1mni h ALA 22 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1mni h ALA 22 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1mni h ALA 22 CO 0.03 0.53 -0.04 0.78 0.00 0.00 0.00 179.25 180.55 1mni h GLY 23 N 0.98 0.53 0.97 0.00 0.00 -1.91 -0.56 103.07 103.08 1mni h GLY 23 Ca 0.20 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1mni h GLY 23 CO -0.02 0.38 -0.08 0.45 0.00 0.00 0.00 176.54 177.28 1mni h HIS 24 N 0.25 0.85 -0.82 5.60 3.86 -1.23 -2.18 115.15 121.47 1mni h HIS 24 Ca 0.07 -0.18 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1mni h HIS 24 Cb 0.49 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 1mni h HIS 24 CO 0.04 0.88 0.50 0.78 0.86 0.00 0.00 177.93 181.00 1mni h GLY 25 N 0.57 1.24 0.71 2.45 0.00 -0.05 -0.36 103.07 107.63 1mni h GLY 25 Ca 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1mni h GLY 25 CO 0.04 0.24 0.00 -1.61 0.00 0.00 0.00 176.54 175.20 1mni h GLN 26 N 0.91 0.01 -0.92 4.80 4.15 -1.08 -1.50 115.11 121.49 1mni h GLN 26 Ca 0.36 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.84 1mni h GLN 26 Cb 0.18 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1mni h GLN 26 CO -0.18 0.30 0.58 0.93 -1.93 0.00 0.00 178.83 178.53 1mni h GLU 27 N -0.28 1.04 -0.29 1.69 4.39 -1.16 -0.59 114.58 119.37 1mni h GLU 27 Ca 0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1mni h GLU 27 Cb 0.29 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1mni h GLU 27 CO 0.00 0.69 0.11 0.28 -1.16 0.00 0.00 179.01 178.93 1mni h VAL 28 N 1.07 1.18 -0.27 3.13 2.07 -0.89 -1.68 116.25 120.86 1mni h VAL 28 Ca 0.39 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 1mni h VAL 28 Cb 0.15 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1mni h VAL 28 CO -0.17 0.19 -0.42 -0.07 0.02 0.00 0.00 177.57 177.12 1mni h LEU 29 N 0.32 0.70 -0.59 2.57 3.38 -0.77 -0.94 115.31 119.98 1mni h LEU 29 Ca 0.10 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1mni h LEU 29 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1mni h LEU 29 CO -0.01 1.03 0.30 0.40 0.09 0.00 0.00 178.44 180.25 1mni h ILE 30 N 0.53 1.21 -0.15 1.22 2.04 -0.97 -0.17 117.51 121.22 1mni h ILE 30 Ca 0.04 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1mni h ILE 30 Cb 0.95 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1mni h ILE 30 CO 0.09 0.23 0.09 0.03 0.00 0.00 0.00 178.15 178.59 1mni h ARG 31 N 0.81 0.21 -0.68 2.37 2.47 -1.10 0.30 114.38 118.76 1mni h ARG 31 Ca 0.21 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1mni h ARG 31 Cb 0.10 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1mni h ARG 31 CO -0.03 0.20 0.43 1.25 0.56 0.00 0.00 179.97 182.38 1mni h LEU 32 N 0.16 0.73 -0.56 3.04 5.85 -0.83 0.18 115.31 123.89 1mni h LEU 32 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1mni h LEU 32 Cb 0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1mni h LEU 32 CO -0.01 0.52 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.69 1mni h PHE 33 N 0.87 0.00 -0.01 1.25 0.04 -0.68 -0.12 116.94 118.30 1mni h PHE 33 Ca 0.26 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.79 1mni h PHE 33 Cb -0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.12 1mni h PHE 33 CO -0.04 0.66 -0.97 0.87 -0.60 0.00 0.00 178.31 178.23 1mni h LYS 34 N 0.00 0.54 0.10 1.51 1.79 -0.07 -3.11 116.57 117.34 1mni h LYS 34 Ca -0.01 -0.57 -0.26 0.00 -2.18 0.00 0.00 60.65 57.63 1mni h LYS 34 Cb 1.24 0.16 0.01 0.00 -1.58 0.00 0.00 32.23 32.06 1mni h LYS 34 CO 0.09 1.20 -1.17 0.78 -1.08 0.00 0.00 179.45 179.27 1mni h GLY 35 N 0.88 0.36 -6.40 3.86 0.00 -0.53 -3.42 103.07 97.82 1mni h GLY 35 Ca -0.10 -0.82 -0.59 0.00 0.00 0.00 0.00 47.33 45.82 1mni h GLY 35 CO 0.18 0.72 -0.95 1.42 0.00 0.00 0.00 176.54 177.91 1mni n HIS 36 N -3.60 -0.52 0.32 5.60 8.25 -0.07 -5.00 115.22 120.21 1mni n HIS 36 Ca -0.08 -3.41 0.21 0.00 -0.26 0.00 0.00 57.72 54.18 1mni n HIS 36 Cb 0.97 0.15 1.11 0.00 1.12 0.00 0.00 29.99 33.35 1mni n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mni h PRO 37 N 5.51 0.00 0.00 -0.41 0.13 -1.72 0.56 132.00 136.07 1mni h PRO 37 Ca 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1mni h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1mni h PRO 37 CO 0.41 0.01 -0.09 1.05 -0.23 0.00 0.00 178.00 179.14 1mni h GLU 38 N 0.00 0.00 0.00 0.86 9.09 -1.92 -0.96 114.58 121.65 1mni h GLU 38 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mni h GLU 38 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1mni h GLU 38 CO 0.00 0.09 0.00 1.79 0.05 0.00 0.00 179.01 180.94 1mni h THR 39 N 0.00 0.00 0.00 -1.06 1.35 -0.19 -3.01 112.91 110.00 1mni h THR 39 Ca -0.00 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1mni h THR 39 Cb 0.48 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1mni h THR 39 CO 0.01 0.00 -0.15 0.25 -0.25 0.00 0.00 175.52 175.38 1mni h LEU 40 N 0.00 0.00 -2.09 3.87 5.85 -1.29 -2.79 115.31 118.87 1mni h LEU 40 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mni h LEU 40 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1mni h LEU 40 CO 0.00 0.15 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.85 1mni h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.64 -1.65 114.58 116.94 1mni h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mni h GLU 41 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1mni h GLU 41 CO 0.02 0.08 0.00 1.63 -1.16 0.00 0.00 179.01 179.57 1mni n LYS 42 N -3.51 0.04 -3.51 2.33 4.76 -1.05 -4.40 118.16 112.81 1mni n LYS 42 Ca -0.02 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 1mni n LYS 42 Cb 0.20 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.95 3.38 0.25 2.13 0.40 -0.62 -4.90 117.98 115.67 1mni s PHE 43 Ca 0.13 -1.69 -0.06 0.00 -0.60 0.00 0.00 56.93 54.71 1mni s PHE 43 Cb 0.16 -3.45 0.26 0.00 0.51 0.00 0.00 43.02 40.49 1mni s PHE 43 CO 0.43 -0.97 1.90 -0.44 0.70 0.00 0.00 175.22 176.84 1mni h ASP 44 N 8.53 1.12 -0.27 1.36 3.32 -1.83 -1.83 116.42 126.83 1mni h ASP 44 Ca -0.23 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 56.84 1mni h ASP 44 Cb 1.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1mni h ASP 44 CO 0.88 0.85 0.33 0.11 -1.72 0.00 0.00 179.24 179.69 1mni h LYS 45 N 1.30 0.00 -0.00 3.56 1.57 -1.94 -2.86 116.57 118.19 1mni h LYS 45 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1mni h LYS 45 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1mni h LYS 45 CO -0.07 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.00 1mni n PHE 46 N -3.64 0.01 -0.15 -1.35 3.72 -0.73 -4.77 117.46 110.55 1mni n PHE 46 Ca 0.04 -0.47 0.05 0.00 -0.05 0.00 0.00 57.45 57.02 1mni n PHE 46 Cb 0.47 -0.05 0.36 0.00 -0.94 0.00 0.00 39.48 39.32 1mni n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mni h LYS 47 N 0.03 0.72 0.00 -1.08 1.57 -1.20 -2.59 116.57 114.01 1mni h LYS 47 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1mni h LYS 47 Cb 0.48 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1mni h LYS 47 CO 0.00 0.48 0.00 0.72 -0.57 0.00 0.00 179.45 180.08 1mni n HIS 48 N -4.47 0.00 -2.52 -1.35 8.25 -1.26 -4.84 115.22 109.03 1mni n HIS 48 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 1mni n HIS 48 Cb 0.18 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1mni n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mni s LEU 49 N -2.23 4.22 -0.00 2.41 1.43 -0.98 -4.91 118.68 118.61 1mni s LEU 49 Ca 0.39 1.66 0.14 0.00 -1.03 0.00 0.00 54.13 55.29 1mni s LEU 49 Cb 0.21 -3.55 -0.16 0.00 0.03 0.00 0.00 46.19 42.71 1mni s LEU 49 CO 0.39 -0.62 0.54 0.29 0.23 0.00 0.00 176.35 177.18 1mni n LYS 50 N 5.73 2.09 -4.11 1.70 4.76 -1.26 -5.02 118.16 122.05 1mni n LYS 50 Ca 0.12 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 1mni n LYS 50 Cb 0.46 -1.18 -0.08 0.00 -1.84 0.00 0.00 35.03 32.38 1mni n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mni s SER 51 N -2.53 0.08 0.36 4.39 1.04 -1.26 -5.01 113.70 110.77 1mni s SER 51 Ca 0.03 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.33 1mni s SER 51 Cb 0.10 0.44 0.70 0.00 0.10 0.00 0.00 66.02 67.36 1mni s SER 51 CO 0.57 -0.92 1.97 -0.08 0.98 0.00 0.00 173.24 175.75 1mni h GLU 52 N 2.52 0.60 -0.04 4.02 4.81 -1.99 -2.04 114.58 122.46 1mni h GLU 52 Ca -0.33 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 1mni h GLU 52 Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1mni h GLU 52 CO 0.48 0.49 -0.39 -0.44 -0.73 0.00 0.00 179.01 178.41 1mni h ASP 53 N 0.60 0.08 0.20 1.04 3.32 -1.98 -0.40 116.42 119.28 1mni h ASP 53 Ca 0.15 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1mni h ASP 53 Cb 0.10 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1mni h ASP 53 CO -0.02 0.47 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.04 1mni h GLU 54 N 0.07 0.40 -0.36 3.56 5.08 -1.77 -2.53 114.58 119.03 1mni h GLU 54 Ca 0.00 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1mni h GLU 54 Cb 0.73 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1mni h GLU 54 CO 0.05 0.88 -0.09 0.52 -1.00 0.00 0.00 179.01 179.37 1mni h MET 55 N 0.30 0.69 0.00 2.33 2.86 -1.07 -1.10 114.93 118.94 1mni h MET 55 Ca -0.01 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1mni h MET 55 Cb 1.13 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1mni h MET 55 CO 0.10 0.85 -0.13 0.87 1.06 0.00 0.00 176.91 179.67 1mni h LYS 56 N 0.48 0.00 0.00 1.72 1.57 -1.09 -2.57 116.57 116.69 1mni h LYS 56 Ca 0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1mni h LYS 56 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1mni h LYS 56 CO 0.04 0.13 -0.89 0.00 -0.57 0.00 0.00 179.45 178.16 1mni h ALA 57 N 1.87 0.67 -2.48 3.86 0.00 -0.99 -3.47 119.26 118.72 1mni h ALA 57 Ca -0.00 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 1mni h ALA 57 Cb 0.28 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1mni h ALA 57 CO 0.02 0.53 1.03 0.45 0.00 0.00 0.00 179.25 181.28 1mni s SER 58 N -5.95 6.55 0.12 0.00 0.15 -0.46 -4.89 113.70 109.22 1mni s SER 58 Ca 0.01 2.58 0.15 0.00 0.70 0.00 0.00 55.95 59.39 1mni s SER 58 Cb 0.08 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 1mni s SER 58 CO 0.77 -0.92 1.04 1.05 1.20 0.00 0.00 173.24 176.38 1mni h GLU 59 N 8.33 0.00 -0.76 5.44 4.11 -1.90 -3.17 114.58 126.63 1mni h GLU 59 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 1mni h GLU 59 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1mni h GLU 59 CO 0.93 0.43 0.36 -0.44 0.07 0.00 0.00 179.01 180.37 1mni h ASP 60 N 0.00 0.99 -0.58 3.06 3.32 -1.96 -1.47 116.42 119.78 1mni h ASP 60 Ca -0.11 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1mni h ASP 60 Cb 1.57 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1mni h ASP 60 CO 0.06 0.84 0.00 0.25 -1.72 0.00 0.00 179.24 178.67 1mni h LEU 61 N 1.08 1.01 -0.88 1.55 6.46 -1.89 -0.18 115.31 122.47 1mni h LEU 61 Ca 0.26 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.63 1mni h LEU 61 Cb 0.11 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1mni h LEU 61 CO -0.03 1.06 -0.31 0.50 -0.62 0.00 0.00 178.44 179.04 1mni h LYS 62 N 0.95 0.46 0.01 1.25 3.64 -1.30 0.12 116.57 121.69 1mni h LYS 62 Ca 0.17 -0.19 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 1mni h LYS 62 Cb 0.55 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1mni h LYS 62 CO 0.03 0.72 -0.87 0.87 -2.27 0.00 0.00 179.45 177.93 1mni h LYS 63 N 0.39 0.58 -0.50 1.90 1.57 -1.02 -1.91 116.57 117.58 1mni h LYS 63 Ca 0.05 -0.63 -0.08 0.00 -1.87 0.00 0.00 60.65 58.12 1mni h LYS 63 Cb 0.75 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1mni h LYS 63 CO 0.06 1.24 0.01 0.28 -0.57 0.00 0.00 179.45 180.47 1mni h VAL 64 N 0.18 1.26 -0.87 0.50 2.07 -0.89 -1.30 116.25 117.20 1mni h VAL 64 Ca -0.11 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1mni h VAL 64 Cb 1.55 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1mni h VAL 64 CO 0.17 0.38 0.51 1.23 0.02 0.00 0.00 177.57 179.88 1mni h GLY 65 N 0.75 1.27 0.99 2.17 0.00 -0.75 -2.26 103.07 105.24 1mni h GLY 65 Ca 0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1mni h GLY 65 CO 0.02 0.52 0.20 -0.57 0.00 0.00 0.00 176.54 176.71 1mni h ASN 66 N 1.20 0.38 -0.44 0.19 -0.73 -1.03 -2.27 115.58 112.87 1mni h ASN 66 Ca 0.31 -0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.45 1mni h ASN 66 Cb -0.03 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1mni h ASN 66 CO -0.06 0.30 0.29 0.74 -0.37 0.00 0.00 177.43 178.33 1mni h THR 67 N 0.42 1.10 -0.04 -3.57 2.02 -1.00 0.06 112.91 111.89 1mni h THR 67 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1mni h THR 67 Cb -0.01 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1mni h THR 67 CO -0.02 0.11 0.02 0.45 0.37 0.00 0.00 175.52 176.44 1mni h HIS 68 N 0.58 0.05 -0.03 3.16 3.86 -1.31 -2.13 115.15 119.33 1mni h HIS 68 Ca 0.16 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 1mni h HIS 68 Cb -0.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1mni h HIS 68 CO -0.05 0.12 -0.80 -0.07 0.86 0.00 0.00 177.93 177.99 1mni h LEU 69 N -0.03 0.39 -0.31 2.43 3.38 -1.31 -2.12 115.31 117.73 1mni h LEU 69 Ca 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1mni h LEU 69 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1mni h LEU 69 CO -0.00 1.04 0.11 0.74 0.09 0.00 0.00 178.44 180.42 1mni h THR 70 N 0.20 1.19 -0.32 0.22 2.02 -0.98 -1.22 112.91 114.01 1mni h THR 70 Ca -0.04 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 1mni h THR 70 Cb 1.40 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1mni h THR 70 CO 0.13 0.21 0.02 0.00 0.37 0.00 0.00 175.52 176.24 1mni h ALA 71 N 0.95 0.43 -0.65 6.16 0.00 -1.39 -2.92 119.26 121.85 1mni h ALA 71 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mni h ALA 71 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mni h ALA 71 CO -0.01 0.17 0.42 1.25 0.00 0.00 0.00 179.25 181.07 1mni h LEU 72 N 0.36 0.76 -1.16 0.00 5.85 -1.25 -2.98 115.31 116.89 1mni h LEU 72 Ca 0.09 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1mni h LEU 72 Cb 0.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1mni h LEU 72 CO 0.01 0.57 0.31 1.23 -0.34 0.00 0.00 178.44 180.22 1mni h GLY 73 N 0.88 0.97 0.96 3.75 0.00 -1.19 -1.34 103.07 107.09 1mni h GLY 73 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1mni h GLY 73 CO -0.05 0.43 0.20 -1.33 0.00 0.00 0.00 176.54 175.79 1mni h GLY 74 N 0.98 0.61 0.88 4.60 0.00 -1.37 -2.13 103.07 106.65 1mni h GLY 74 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1mni h GLY 74 CO -0.03 0.29 -0.01 -2.22 0.00 0.00 0.00 176.54 174.56 1mni h ILE 75 N 0.51 1.26 -0.46 2.60 2.04 -1.35 -3.21 117.51 118.90 1mni h ILE 75 Ca 0.14 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1mni h ILE 75 Cb 0.11 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1mni h ILE 75 CO -0.02 0.31 0.12 -0.07 0.00 0.00 0.00 178.15 178.49 1mni h LEU 76 N 0.33 0.63 -0.73 1.44 3.38 -1.14 -2.58 115.31 116.65 1mni h LEU 76 Ca 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mni h LEU 76 Cb 0.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1mni h LEU 76 CO 0.02 0.62 0.00 0.29 0.09 0.00 0.00 178.44 179.46 1mni n LYS 77 N -4.31 0.21 0.26 1.13 5.02 -0.81 -1.33 118.16 118.33 1mni n LYS 77 Ca 0.03 0.43 0.16 0.00 -2.02 0.00 0.00 58.31 56.91 1mni n LYS 77 Cb 0.20 -1.89 0.54 0.00 -0.02 0.00 0.00 35.03 33.86 1mni n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mni h LYS 78 N 0.00 0.00 -6.26 1.97 1.79 -1.50 -3.48 116.57 109.09 1mni h LYS 78 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 1mni h LYS 78 Cb 0.38 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1mni h LYS 78 CO 0.00 0.00 -0.90 1.63 -1.08 0.00 0.00 179.45 179.10 1mni n LYS 79 N -3.08 -2.48 0.00 3.15 5.02 -0.44 -1.96 118.16 118.37 1mni n LYS 79 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1mni n LYS 79 Cb 0.37 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 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 -1.74 3.07 2.62 0.72 0.00 -1.26 -4.95 105.19 103.66 1mni n GLY 80 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.57 2.70 -1.19 1.61 8.25 -0.83 -4.66 115.22 120.52 1mni n HIS 81 Ca 0.00 -2.63 0.05 0.00 -0.26 0.00 0.00 57.72 54.89 1mni n HIS 81 Cb 0.00 -1.37 0.21 0.00 1.12 0.00 0.00 29.99 29.95 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 0.51 0.65 -0.13 4.41 1.44 -1.26 -4.72 115.22 116.11 1mni n HIS 82 Ca 0.50 -1.16 -0.04 0.00 -2.01 0.00 0.00 57.72 55.00 1mni n HIS 82 Cb 0.26 -0.31 0.04 0.00 0.12 0.00 0.00 29.99 30.10 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 1.04 0.25 -0.22 -1.40 4.57 -1.98 0.60 114.58 117.44 1mni h GLU 83 Ca 0.06 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1mni h GLU 83 Cb 1.35 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1mni h GLU 83 CO 0.19 0.16 -0.28 0.00 -1.18 0.00 0.00 179.01 177.90 1mni h ALA 84 N 1.31 1.11 0.00 2.92 0.00 -2.00 -1.97 119.26 120.64 1mni h ALA 84 Ca 0.21 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1mni h ALA 84 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mni h ALA 84 CO -0.25 0.56 -0.83 0.93 0.00 0.00 0.00 179.25 179.66 1mni h GLU 85 N 0.38 0.00 -0.57 0.00 3.07 -1.63 -3.33 114.58 112.50 1mni h GLU 85 Ca 0.05 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 1mni h GLU 85 Cb 0.69 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 1mni h GLU 85 CO 0.05 0.81 -0.02 1.25 -1.40 0.00 0.00 179.01 179.70 1mni h LEU 86 N 0.00 0.98 0.06 1.33 5.85 0.69 -3.37 115.31 120.85 1mni h LEU 86 Ca -0.01 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1mni h LEU 86 Cb 1.63 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 1mni h LEU 86 CO 0.11 1.04 -0.35 0.74 -0.34 0.00 0.00 178.44 179.64 1mni h THR 87 N 0.91 0.26 0.00 1.05 2.02 -1.49 -1.67 112.91 114.00 1mni h THR 87 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1mni h THR 87 Cb 0.55 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1mni h THR 87 CO 0.03 0.00 -0.02 -0.65 0.37 0.00 0.00 175.52 175.25 1mni h PRO 88 N -0.54 0.00 0.02 6.66 0.11 -1.79 0.17 132.00 136.64 1mni h PRO 88 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1mni h PRO 88 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1mni h PRO 88 CO -0.24 0.02 -0.01 1.25 -0.21 0.00 0.00 178.00 178.80 1mni h LEU 89 N 0.00 -0.03 -0.25 2.35 5.85 -1.64 -0.58 115.31 121.03 1mni h LEU 89 Ca -0.00 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1mni h LEU 89 Cb 0.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1mni h LEU 89 CO 0.00 0.42 0.08 0.00 -0.34 0.00 0.00 178.44 178.60 1mni h ALA 90 N 0.48 0.32 0.51 1.25 0.00 -0.95 -0.51 119.26 120.36 1mni h ALA 90 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1mni h ALA 90 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1mni h ALA 90 CO 0.01 -0.06 -0.28 1.96 0.00 0.00 0.00 179.25 180.88 1mni h GLN 91 N 0.23 -0.70 -0.73 0.00 4.20 -0.54 -1.68 115.11 115.89 1mni h GLN 91 Ca 0.08 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1mni h GLN 91 Cb 0.23 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1mni h GLN 91 CO -0.00 -0.47 0.23 0.66 -0.67 0.00 0.00 178.83 178.57 1mni h SER 92 N -0.73 1.07 1.07 1.46 4.64 -1.07 -2.27 113.55 117.72 1mni h SER 92 Ca -0.06 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1mni h SER 92 Cb 0.58 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1mni h SER 92 CO 0.09 0.99 -0.50 0.45 -0.87 0.00 0.00 176.83 176.99 1mni h HIS 93 N 1.09 0.00 0.12 4.77 3.86 -1.05 -0.23 115.15 123.71 1mni h HIS 93 Ca 0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1mni h HIS 93 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1mni h HIS 93 CO 0.03 0.50 -0.06 0.00 0.86 0.00 0.00 177.93 179.26 1mni h ALA 94 N 1.50 -0.16 0.00 2.45 0.00 -1.28 1.06 119.26 122.83 1mni h ALA 94 Ca -0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1mni h ALA 94 Cb 1.17 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1mni h ALA 94 CO 0.06 -0.16 -1.44 1.79 0.00 0.00 0.00 179.25 179.51 1mni h THR 95 N -1.02 0.96 0.00 0.00 1.35 -1.51 -3.32 112.91 109.37 1mni h THR 95 Ca -0.02 -2.69 -0.21 0.00 -0.55 0.00 0.00 66.41 62.95 1mni h THR 95 Cb 0.25 2.43 -0.03 0.00 -1.73 0.00 0.00 68.15 69.07 1mni h THR 95 CO 0.03 0.55 -1.62 1.17 -0.25 0.00 0.00 175.52 175.40 1mni n LYS 96 N -3.09 0.31 0.18 4.72 4.81 -0.51 -4.71 118.16 119.87 1mni n LYS 96 Ca -0.11 0.13 0.07 0.00 -0.87 0.00 0.00 58.31 57.54 1mni n LYS 96 Cb 0.97 -1.02 0.10 0.00 0.02 0.00 0.00 35.03 35.09 1mni n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mni h HIS 97 N -0.53 0.00 -5.47 5.64 3.86 -1.25 -3.48 115.15 113.92 1mni h HIS 97 Ca -0.32 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.60 1mni h HIS 97 Cb 1.20 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.84 1mni h HIS 97 CO -0.08 0.25 -0.77 1.63 0.86 0.00 0.00 177.93 179.83 1mni n LYS 98 N -3.16 -5.05 -3.39 2.45 4.76 -0.56 -4.96 118.16 108.25 1mni n LYS 98 Ca 0.03 0.82 -0.40 0.00 -2.87 0.00 0.00 58.31 55.89 1mni n LYS 98 Cb 0.63 -5.72 -0.09 0.00 -1.84 0.00 0.00 35.03 28.01 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 -3.36 5.16 0.55 -0.18 -1.09 0.35 -5.00 121.20 117.64 1mni s ILE 99 Ca 0.14 0.29 -0.21 0.00 -2.23 0.00 0.00 60.65 58.64 1mni s ILE 99 Cb -0.02 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1mni s ILE 99 CO 0.71 0.00 1.25 -2.16 -1.23 0.00 0.00 174.94 173.51 1mni s PRO 100 N 2.07 3.19 0.50 2.79 0.04 -1.25 -4.59 135.00 137.75 1mni s PRO 100 Ca 0.14 1.96 0.15 0.00 0.04 0.00 0.00 61.00 63.28 1mni s PRO 100 Cb -0.16 -2.14 1.21 0.00 0.04 0.00 0.00 34.50 33.45 1mni s PRO 100 CO 0.11 -1.07 2.14 0.28 0.04 0.00 0.00 177.00 178.50 1mni h VAL 101 N 1.28 1.02 0.00 -0.36 2.07 5.64 -2.61 116.25 123.29 1mni h VAL 101 Ca -0.50 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1mni h VAL 101 Cb 1.29 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1mni h VAL 101 CO 0.57 0.02 -0.06 0.07 0.02 0.00 0.00 177.57 178.19 1mni h LYS 102 N 0.07 0.00 0.00 1.57 2.10 -1.93 -0.56 116.57 117.82 1mni h LYS 102 Ca 0.02 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1mni h LYS 102 Cb -0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1mni h LYS 102 CO -0.00 0.06 -0.23 1.88 -2.00 0.00 0.00 179.45 179.16 1mni h TYR 103 N 0.00 0.00 0.00 0.07 -1.99 -1.81 -1.86 116.97 111.38 1mni h TYR 103 Ca -0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1mni h TYR 103 Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1mni h TYR 103 CO 0.00 0.23 -0.43 -0.07 -0.00 0.00 0.00 178.16 177.89 1mni h LEU 104 N 0.00 0.00 -0.42 3.88 3.38 -1.22 -0.84 115.31 120.08 1mni h LEU 104 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1mni h LEU 104 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1mni h LEU 104 CO 0.03 0.43 -0.56 -0.08 0.09 0.00 0.00 178.44 178.35 1mni h GLU 105 N 0.00 0.68 -0.54 1.13 4.81 -1.38 -2.12 114.58 117.16 1mni h GLU 105 Ca -0.00 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 1mni h GLU 105 Cb 0.77 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1mni h GLU 105 CO 0.06 1.05 -0.11 0.74 -0.73 0.00 0.00 179.01 180.01 1mni h PHE 106 N 0.52 1.15 -0.00 0.92 0.04 -0.47 -2.86 116.94 116.23 1mni h PHE 106 Ca 0.01 -0.24 -0.13 0.00 2.80 0.00 0.00 57.97 60.41 1mni h PHE 106 Cb 1.13 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1mni h PHE 106 CO 0.06 1.07 -0.61 0.97 -0.60 0.00 0.00 178.31 179.19 1mni h ILE 107 N 0.90 1.44 -0.54 -0.55 2.10 -1.17 -2.54 117.51 117.14 1mni h ILE 107 Ca 0.14 -2.08 -0.00 0.00 1.08 0.00 0.00 64.86 64.00 1mni h ILE 107 Cb 0.69 2.12 -0.03 0.00 -1.09 0.00 0.00 36.82 38.51 1mni h ILE 107 CO 0.05 0.59 0.33 0.28 -1.08 0.00 0.00 178.15 178.33 1mni h SER 108 N 0.01 0.64 -0.47 2.19 0.02 -1.28 -1.69 113.55 112.97 1mni h SER 108 Ca -0.01 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1mni h SER 108 Cb 1.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1mni h SER 108 CO 0.08 0.50 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.99 1mni h GLU 109 N 0.73 0.98 -0.48 3.45 4.81 -1.41 -2.13 114.58 120.52 1mni h GLU 109 Ca 0.20 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 1mni h GLU 109 Cb -0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1mni h GLU 109 CO -0.04 1.09 0.04 0.00 -0.73 0.00 0.00 179.01 179.37 1mni h ALA 110 N 0.86 1.17 0.10 2.92 0.00 -1.25 0.14 119.26 123.20 1mni h ALA 110 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mni h ALA 110 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1mni h ALA 110 CO 0.06 0.55 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 1mni h ILE 111 N 0.73 0.93 -0.84 0.00 2.04 -1.10 -0.52 117.51 118.75 1mni h ILE 111 Ca 0.15 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1mni h ILE 111 Cb 0.38 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1mni h ILE 111 CO 0.01 0.03 0.42 0.40 0.00 0.00 0.00 178.15 179.01 1mni h ILE 112 N -0.18 1.25 -0.66 -0.67 2.04 -1.16 -0.11 117.51 118.02 1mni h ILE 112 Ca -0.01 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1mni h ILE 112 Cb 0.14 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1mni h ILE 112 CO 0.02 0.30 0.16 1.56 0.00 0.00 0.00 178.15 180.19 1mni h GLN 113 N 1.19 1.05 -0.20 2.37 4.20 -0.27 -0.86 115.11 122.59 1mni h GLN 113 Ca 0.29 -0.24 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1mni h GLN 113 Cb 0.09 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1mni h GLN 113 CO -0.04 0.93 -0.66 0.28 -0.67 0.00 0.00 178.83 178.67 1mni h VAL 114 N 1.00 1.29 -0.58 -0.54 2.07 -0.81 -0.93 116.25 117.75 1mni h VAL 114 Ca 0.21 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 1mni h VAL 114 Cb 0.36 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1mni h VAL 114 CO 0.00 0.60 0.29 -0.07 0.02 0.00 0.00 177.57 178.41 1mni h LEU 115 N 0.55 0.75 -0.48 2.57 3.38 -0.84 0.93 115.31 122.16 1mni h LEU 115 Ca -0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1mni h LEU 115 Cb 1.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1mni h LEU 115 CO 0.14 0.65 0.05 -0.61 0.09 0.00 0.00 178.44 178.76 1mni h GLN 116 N 0.79 0.82 -0.40 1.13 5.75 -1.12 0.13 115.11 122.20 1mni h GLN 116 Ca 0.20 -0.23 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1mni h GLN 116 Cb 0.10 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1mni h GLN 116 CO -0.03 0.84 -0.19 0.77 -2.65 0.00 0.00 178.83 177.57 1mni h SER 117 N 0.68 0.87 0.47 -0.69 0.02 -0.95 -3.22 113.55 110.74 1mni h SER 117 Ca 0.14 -0.40 -0.30 0.00 -0.84 0.00 0.00 61.79 60.39 1mni h SER 117 Cb 0.43 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1mni h SER 117 CO 0.01 1.08 -1.51 0.11 -1.14 0.00 0.00 176.83 175.38 1mni h LYS 118 N 0.66 0.24 -1.74 3.45 1.57 -0.83 -3.41 116.57 116.51 1mni h LYS 118 Ca 0.09 -0.40 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 1mni h LYS 118 Cb 0.75 0.15 -0.41 0.00 0.08 0.00 0.00 32.23 32.79 1mni h LYS 118 CO 0.06 1.10 -0.85 0.72 -0.57 0.00 0.00 179.45 179.90 1mni n HIS 119 N -3.44 2.75 -0.33 -1.35 8.25 0.03 -4.96 115.22 116.17 1mni n HIS 119 Ca -0.16 -3.43 0.05 0.00 -0.26 0.00 0.00 57.72 53.92 1mni n HIS 119 Cb 1.04 -0.31 0.24 0.00 1.12 0.00 0.00 29.99 32.08 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 2.84 0.99 -0.25 -0.41 0.13 -1.72 -0.96 132.00 132.61 1mni h PRO 120 Ca 0.15 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1mni h PRO 120 Cb 0.84 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1mni h PRO 120 CO 0.73 0.65 -0.32 0.78 -0.23 0.00 0.00 178.00 179.61 1mni h GLY 121 N 1.02 0.57 0.02 1.56 0.00 -1.92 -2.81 103.07 101.50 1mni h GLY 121 Ca 0.44 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1mni h GLY 121 CO -0.19 0.46 -0.23 1.22 0.00 0.00 0.00 176.54 177.80 1mni n ASP 122 N -4.08 1.19 -3.47 0.19 9.92 -0.81 -4.41 116.55 115.08 1mni n ASP 122 Ca -0.01 -1.04 -0.32 0.00 -0.53 0.00 0.00 54.79 52.89 1mni n ASP 122 Cb 0.46 0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 41.03 1mni n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1mni n PHE 123 N -0.45 3.35 -1.19 1.24 7.35 -0.43 -4.89 117.46 122.43 1mni n PHE 123 Ca 0.13 -3.64 -0.18 0.00 -0.76 0.00 0.00 57.45 52.99 1mni n PHE 123 Cb 0.36 -0.75 0.14 0.00 0.35 0.00 0.00 39.48 39.58 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 0.65 -2.03 0.31 7.13 0.00 -1.26 -4.61 105.19 105.38 1mni n GLY 124 Ca 0.31 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.18 1.28 -0.17 4.61 0.00 -1.97 -0.54 119.26 120.30 1mni h ALA 125 Ca -0.26 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1mni h ALA 125 Cb 0.76 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1mni h ALA 125 CO 0.18 -0.12 -0.61 -0.44 0.00 0.00 0.00 179.25 178.26 1mni h ASP 126 N 0.59 0.83 -0.45 0.00 3.32 -1.99 -2.80 116.42 115.92 1mni h ASP 126 Ca 0.47 -0.60 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1mni h ASP 126 Cb 0.69 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1mni h ASP 126 CO -0.38 1.29 0.07 0.00 -1.72 0.00 0.00 179.24 178.50 1mni h ALA 127 N 0.56 1.15 0.23 3.45 0.00 -1.85 0.10 119.26 122.90 1mni h ALA 127 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1mni h ALA 127 Cb 1.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1mni h ALA 127 CO 0.13 0.56 -0.12 1.96 0.00 0.00 0.00 179.25 181.78 1mni h GLN 128 N 0.78 -0.31 -0.40 0.00 4.20 -1.05 0.11 115.11 118.44 1mni h GLN 128 Ca 0.16 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1mni h GLN 128 Cb 0.37 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1mni h GLN 128 CO 0.01 -0.21 0.17 0.78 -0.67 0.00 0.00 178.83 178.91 1mni h GLY 129 N -0.32 0.64 0.96 3.46 0.00 -1.38 -0.83 103.07 105.60 1mni h GLY 129 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1mni h GLY 129 CO 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 176.54 176.83 1mni h ALA 130 N 1.02 -0.19 -0.88 3.60 0.00 -0.52 -2.38 119.26 119.91 1mni h ALA 130 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1mni h ALA 130 Cb 0.17 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1mni h ALA 130 CO -0.01 -0.58 0.55 1.98 0.00 0.00 0.00 179.25 181.18 1mni h MET 131 N -0.24 0.97 -0.22 0.00 -1.53 -0.71 -2.66 114.93 110.54 1mni h MET 131 Ca -0.02 -0.06 -0.12 0.00 -3.44 0.00 0.00 59.70 56.06 1mni h MET 131 Cb 0.19 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1mni h MET 131 CO 0.03 0.64 -0.38 0.66 0.14 0.00 0.00 176.91 178.00 1mni h SER 132 N 1.00 0.52 -0.50 1.39 4.64 -0.99 -1.66 113.55 117.95 1mni h SER 132 Ca 0.38 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1mni h SER 132 Cb 0.17 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1mni h SER 132 CO -0.17 0.85 0.17 0.11 -0.87 0.00 0.00 176.83 176.92 1mni h LYS 133 N 0.42 0.82 -0.35 4.77 1.57 -1.29 -0.46 116.57 122.04 1mni h LYS 133 Ca 0.04 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1mni h LYS 133 Cb 0.85 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1mni h LYS 133 CO 0.07 0.72 -0.05 0.00 -0.57 0.00 0.00 179.45 179.62 1mni h ALA 134 N 1.38 0.48 -0.08 3.86 0.00 -1.30 0.85 119.26 124.44 1mni h ALA 134 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1mni h ALA 134 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1mni h ALA 134 CO -0.01 0.29 -0.58 -0.07 0.00 0.00 0.00 179.25 178.88 1mni h LEU 135 N 0.45 0.31 -0.12 0.00 3.38 -1.11 -1.79 115.31 116.42 1mni h LEU 135 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1mni h LEU 135 Cb 0.53 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1mni h LEU 135 CO 0.03 0.82 -0.01 -0.08 0.09 0.00 0.00 178.44 179.29 1mni h GLU 136 N 0.21 0.22 -0.33 1.13 4.81 -1.00 0.19 114.58 119.81 1mni h GLU 136 Ca -0.00 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1mni h GLU 136 Cb 1.08 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 1mni h GLU 136 CO 0.09 0.48 -0.08 1.25 -0.73 0.00 0.00 179.01 180.02 1mni h LEU 137 N -0.07 -0.29 -0.54 1.64 5.85 -0.68 -0.63 115.31 120.58 1mni h LEU 137 Ca 0.03 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1mni h LEU 137 Cb 0.39 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1mni h LEU 137 CO 0.01 -0.10 0.30 0.15 -0.34 0.00 0.00 178.44 178.45 1mni h PHE 138 N 0.01 0.55 -0.42 1.25 3.57 -1.14 -0.88 116.94 119.88 1mni h PHE 138 Ca 0.16 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1mni h PHE 138 Cb 0.24 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1mni h PHE 138 CO -0.30 0.29 0.13 0.00 -2.23 0.00 0.00 178.31 176.20 1mni h ARG 139 N 0.58 0.27 -0.48 1.11 3.08 0.18 -1.33 114.38 117.79 1mni h ARG 139 Ca 0.23 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1mni h ARG 139 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1mni h ARG 139 CO -0.14 0.18 0.22 -0.91 -1.07 0.00 0.00 179.97 178.26 1mni h ASN 140 N 0.28 0.64 -0.10 7.04 -0.26 -0.81 -1.03 115.58 121.35 1mni h ASN 140 Ca 0.20 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.73 1mni h ASN 140 Cb 0.20 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1mni h ASN 140 CO -0.22 0.60 -0.14 0.44 -1.06 0.00 0.00 177.43 177.05 1mni h ASP 141 N 0.64 0.44 -0.31 5.81 5.19 -0.93 -1.95 116.42 125.30 1mni h ASP 141 Ca 0.17 -0.12 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 1mni h ASP 141 Cb 0.14 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1mni h ASP 141 CO -0.02 0.61 -0.18 0.24 -3.12 0.00 0.00 179.24 176.77 1mni h MET 142 N 0.42 0.67 -0.64 3.56 2.86 -0.61 -0.96 114.93 120.23 1mni h MET 142 Ca 0.08 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1mni h MET 142 Cb 0.50 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1mni h MET 142 CO 0.03 0.90 0.42 0.00 1.06 0.00 0.00 176.91 179.32 1mni h ALA 143 N 0.75 1.58 -0.47 6.32 0.00 -1.07 0.17 119.26 126.55 1mni h ALA 143 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1mni h ALA 143 Cb 0.72 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1mni h ALA 143 CO 0.05 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 1mni h ALA 144 N 1.61 0.87 -0.15 0.00 0.00 -1.03 0.13 119.26 120.70 1mni h ALA 144 Ca 0.24 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1mni h ALA 144 Cb -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1mni h ALA 144 CO -0.06 0.64 -0.61 0.87 0.00 0.00 0.00 179.25 180.09 1mni h LYS 145 N 0.79 0.52 -0.12 0.00 1.79 -0.10 -2.53 116.57 116.92 1mni h LYS 145 Ca 0.12 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1mni h LYS 145 Cb 0.66 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1mni h LYS 145 CO 0.05 0.97 0.05 1.88 -1.08 0.00 0.00 179.45 181.32 1mni h TYR 146 N 0.39 0.18 -0.03 -1.35 -1.99 -0.08 -2.88 116.97 111.20 1mni h TYR 146 Ca -0.01 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1mni h TYR 146 Cb 1.17 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 1mni h TYR 146 CO 0.05 0.25 -0.25 0.87 -0.00 0.00 0.00 178.16 179.08 1mni h LYS 147 N 0.05 0.06 0.00 4.88 1.57 -1.01 -1.24 116.57 120.87 1mni h LYS 147 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1mni h LYS 147 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1mni h LYS 147 CO -0.00 0.30 0.00 1.05 -0.57 0.00 0.00 179.45 180.23 1mni h GLU 148 N 0.05 0.00 -0.10 3.15 4.11 -1.24 -3.13 114.58 117.42 1mni h GLU 148 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1mni h GLU 148 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1mni h GLU 148 CO 0.03 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.39 1mni n LEU 149 N -2.47 1.69 0.00 3.06 4.77 -1.08 -4.92 117.00 118.05 1mni n LEU 149 Ca 0.05 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1mni n LEU 149 Cb 0.42 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1mni n LEU 149 CO 0.30 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1mni n GLY 150 N 1.17 0.48 0.00 -0.72 0.00 -1.18 -5.02 105.19 99.92 1mni n GLY 150 Ca 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1mni n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mni n PHE 151 N -2.88 0.00 0.00 1.61 3.72 -0.49 -4.99 117.46 114.42 1mni n PHE 151 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1mni n PHE 151 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1mni n PHE 151 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1mni n GLN 152 N 0.00 0.00 0.00 -1.08 -0.06 -1.26 -4.17 117.38 110.82 1mni n GLN 152 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1mni n GLN 152 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1mni n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27