#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o58 s LEU 2 N 0.00 4.21 0.95 0.99 1.02 -1.26 -5.10 118.68 119.50 2o58 s LEU 2 Ca 0.00 0.79 -0.12 0.00 0.02 0.00 0.00 54.13 54.83 2o58 s LEU 2 Cb 0.00 -3.52 0.16 0.00 0.02 0.00 0.00 46.19 42.85 2o58 s LEU 2 CO 0.00 -0.02 1.09 -0.94 0.02 0.00 0.00 176.35 176.51 2o58 s SER 3 N -2.36 3.00 0.16 2.29 1.04 -1.26 -4.82 113.70 111.76 2o58 s SER 3 Ca 0.44 1.33 -0.15 0.00 0.48 0.00 0.00 55.95 58.05 2o58 s SER 3 Cb -0.12 -2.01 0.06 0.00 0.10 0.00 0.00 66.02 64.06 2o58 s SER 3 CO 0.22 -2.91 1.79 0.44 0.98 0.00 0.00 173.24 173.76 2o58 h ASP 4 N -1.74 0.34 -0.48 7.02 3.32 -1.99 -0.21 116.42 122.68 2o58 h ASP 4 Ca -0.52 0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.62 2o58 h ASP 4 Cb 1.31 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2o58 h ASP 4 CO 0.56 0.25 0.11 1.23 -1.72 0.00 0.00 179.24 179.67 2o58 h GLY 5 N 0.45 0.60 0.97 2.75 0.00 -1.99 -1.05 103.07 104.80 2o58 h GLY 5 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2o58 h GLY 5 CO -0.10 -0.05 0.18 0.83 0.00 0.00 0.00 176.54 177.39 2o58 h GLU 6 N 0.25 0.41 -0.91 4.80 5.08 -1.83 -1.15 114.58 121.24 2o58 h GLU 6 Ca 0.24 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2o58 h GLU 6 Cb 0.30 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2o58 h GLU 6 CO -0.30 0.32 0.57 -1.49 -1.00 0.00 0.00 179.01 177.11 2o58 h TRP 7 N 0.38 1.04 -0.75 4.33 -0.00 -0.74 -0.32 115.95 119.88 2o58 h TRP 7 Ca 0.11 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.98 2o58 h TRP 7 Cb 0.02 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 28.81 2o58 h TRP 7 CO -0.04 0.52 0.27 0.37 -0.00 0.00 0.00 178.44 179.56 2o58 h GLN 8 N 1.01 1.14 -0.02 0.49 4.15 -0.69 -0.93 115.11 120.26 2o58 h GLN 8 Ca 0.40 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 2o58 h GLN 8 Cb 0.21 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 2o58 h GLN 8 CO -0.19 0.94 0.01 1.96 -1.93 0.00 0.00 178.83 179.63 2o58 h GLN 9 N 1.10 0.03 -0.40 1.69 1.08 -0.56 -0.55 115.11 117.51 2o58 h GLN 9 Ca 0.25 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.52 2o58 h GLN 9 Cb 0.25 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.60 2o58 h GLN 9 CO -0.02 0.07 -0.08 0.28 -0.95 0.00 0.00 178.83 178.13 2o58 h VAL 10 N -0.02 0.62 0.00 -0.54 2.07 -0.56 0.34 116.25 118.16 2o58 h VAL 10 Ca 0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2o58 h VAL 10 Cb 0.05 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2o58 h VAL 10 CO -0.00 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.35 2o58 h LEU 11 N 0.01 0.00 -0.07 2.57 3.38 -1.11 -0.57 115.31 119.52 2o58 h LEU 11 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2o58 h LEU 11 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2o58 h LEU 11 CO -0.40 0.17 -0.01 -1.13 0.09 0.00 0.00 178.44 177.16 2o58 h ASN 12 N 0.00 0.13 -0.74 -0.43 -0.73 -0.36 -2.87 115.58 110.57 2o58 h ASN 12 Ca -0.00 -0.35 0.08 0.00 1.87 0.00 0.00 56.30 57.89 2o58 h ASN 12 Cb 0.97 -0.03 -0.07 0.00 0.27 0.00 0.00 38.32 39.46 2o58 h ASN 12 CO 0.02 0.45 0.41 0.58 -0.37 0.00 0.00 177.43 178.52 2o58 h VAL 13 N -0.20 0.92 -0.09 2.57 2.07 -0.71 -2.31 116.25 118.51 2o58 h VAL 13 Ca 0.02 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2o58 h VAL 13 Cb 0.39 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2o58 h VAL 13 CO 0.01 0.13 0.07 -0.25 0.02 0.00 0.00 177.57 177.55 2o58 h TRP 14 N 0.72 0.00 -0.85 1.57 2.91 -1.02 -0.07 115.95 119.22 2o58 h TRP 14 Ca 0.35 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.56 2o58 h TRP 14 Cb 0.29 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 28.82 2o58 h TRP 14 CO -0.08 0.00 0.35 0.78 -1.03 0.00 0.00 178.44 178.46 2o58 h GLY 15 N 0.00 1.37 0.83 2.65 0.00 -1.19 -0.48 103.07 106.25 2o58 h GLY 15 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.24 2o58 h GLY 15 CO -0.00 -0.20 0.15 0.50 0.00 0.00 0.00 176.54 176.99 2o58 h LYS 16 N 0.41 0.31 -0.43 4.80 1.57 -1.13 -2.64 116.57 119.47 2o58 h LYS 16 Ca 0.50 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.25 2o58 h LYS 16 Cb 0.89 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2o58 h LYS 16 CO -0.49 0.21 0.20 0.28 -0.57 0.00 0.00 179.45 179.08 2o58 h VAL 17 N 0.32 1.18 0.00 0.50 2.07 -1.19 -2.94 116.25 116.19 2o58 h VAL 17 Ca 0.14 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2o58 h VAL 17 Cb 0.06 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2o58 h VAL 17 CO -0.10 0.20 -0.06 -0.33 0.02 0.00 0.00 177.57 177.30 2o58 h GLU 18 N 0.55 0.00 0.00 1.57 5.08 -1.06 -0.83 114.58 119.88 2o58 h GLU 18 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2o58 h GLU 18 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2o58 h GLU 18 CO -0.02 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2o58 h ALA 19 N 1.94 1.00 -0.41 3.43 0.00 -1.28 -3.37 119.26 120.57 2o58 h ALA 19 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2o58 h ALA 19 Cb 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.81 2o58 h ALA 19 CO 0.01 0.00 -0.61 -3.47 0.00 0.00 0.00 179.25 175.18 2o58 n ASP 20 N -3.04 -2.34 -0.09 0.00 2.03 -0.43 -5.03 116.55 107.64 2o58 n ASP 20 Ca 0.01 -3.18 -0.10 0.00 0.52 0.00 0.00 54.79 52.04 2o58 n ASP 20 Cb 0.33 1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 42.07 2o58 n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o58 h ILE 21 N 2.89 1.17 -0.88 5.18 6.09 -1.42 -1.46 117.51 129.07 2o58 h ILE 21 Ca -0.10 -0.49 -0.02 0.00 -1.37 0.00 0.00 64.86 62.88 2o58 h ILE 21 Cb 1.00 0.95 -0.04 0.00 0.47 0.00 0.00 36.82 39.20 2o58 h ILE 21 CO 0.34 0.17 0.46 0.00 -3.07 0.00 0.00 178.15 176.06 2o58 h ALA 22 N 0.98 1.12 -0.05 0.18 0.00 -1.88 0.78 119.26 120.40 2o58 h ALA 22 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2o58 h ALA 22 Cb 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2o58 h ALA 22 CO -0.01 0.65 -0.00 0.78 0.00 0.00 0.00 179.25 180.67 2o58 h GLY 23 N 1.23 0.09 0.82 0.00 0.00 -1.87 0.25 103.07 103.60 2o58 h GLY 23 Ca 0.31 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.60 2o58 h GLY 23 CO -0.05 0.06 0.28 0.45 0.00 0.00 0.00 176.54 177.29 2o58 h HIS 24 N -0.23 0.53 0.24 5.60 -0.00 -1.24 -1.87 115.15 118.18 2o58 h HIS 24 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2o58 h HIS 24 Cb 0.35 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2o58 h HIS 24 CO 0.04 0.29 -0.11 0.78 -0.00 0.00 0.00 177.93 178.92 2o58 h GLY 25 N 0.56 -0.33 0.08 2.45 0.00 -0.68 -0.10 103.07 105.05 2o58 h GLY 25 Ca 0.21 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.72 2o58 h GLY 25 CO -0.12 -0.12 -0.30 -1.61 0.00 0.00 0.00 176.54 174.39 2o58 h GLN 26 N -0.32 -0.31 -0.94 4.80 4.15 -0.93 -0.99 115.11 120.56 2o58 h GLN 26 Ca -0.03 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2o58 h GLN 26 Cb 0.25 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2o58 h GLN 26 CO 0.05 -0.21 0.56 0.93 -1.93 0.00 0.00 178.83 178.24 2o58 h GLU 27 N -0.32 1.28 0.05 1.69 5.08 -1.17 0.11 114.58 121.30 2o58 h GLU 27 Ca 0.12 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2o58 h GLU 27 Cb 0.52 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2o58 h GLU 27 CO -0.40 0.90 -0.05 0.28 -1.00 0.00 0.00 179.01 178.74 2o58 h VAL 28 N 1.30 0.89 -0.55 3.13 2.07 -0.65 0.06 116.25 122.50 2o58 h VAL 28 Ca 0.34 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.80 2o58 h VAL 28 Cb -0.05 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2o58 h VAL 28 CO -0.06 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.60 2o58 h LEU 29 N -0.11 0.83 -0.74 2.57 3.38 -0.76 -0.98 115.31 119.50 2o58 h LEU 29 Ca 0.00 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2o58 h LEU 29 Cb 0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2o58 h LEU 29 CO -0.01 0.84 0.44 0.40 0.09 0.00 0.00 178.44 180.21 2o58 h ILE 30 N 0.78 1.03 -0.51 1.22 2.04 -0.66 -0.01 117.51 121.41 2o58 h ILE 30 Ca 0.17 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2o58 h ILE 30 Cb 0.33 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2o58 h ILE 30 CO 0.00 0.15 0.29 -0.09 0.00 0.00 0.00 178.15 178.50 2o58 h ARG 31 N 0.83 0.70 -0.05 2.37 9.65 -0.68 0.13 114.38 127.32 2o58 h ARG 31 Ca 0.32 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2o58 h ARG 31 Cb 0.13 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 2o58 h ARG 31 CO -0.16 0.53 0.03 1.25 2.80 0.00 0.00 179.97 184.42 2o58 h LEU 32 N 0.67 0.06 -0.41 3.80 5.85 -0.57 -1.66 115.31 123.05 2o58 h LEU 32 Ca 0.18 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 2o58 h LEU 32 Cb 0.02 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2o58 h LEU 32 CO -0.03 0.12 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.65 2o58 h PHE 33 N -0.00 1.06 -0.12 1.25 0.04 -0.83 0.39 116.94 118.73 2o58 h PHE 33 Ca 0.02 -0.29 -0.12 0.00 2.80 0.00 0.00 57.97 60.38 2o58 h PHE 33 Cb 0.07 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2o58 h PHE 33 CO -0.05 1.09 -0.40 1.79 -0.60 0.00 0.00 178.31 180.14 2o58 h THR 34 N 0.73 1.37 0.00 -1.55 1.35 -0.97 -2.91 112.91 110.94 2o58 h THR 34 Ca 0.08 -1.72 -0.11 0.00 -0.55 0.00 0.00 66.41 64.11 2o58 h THR 34 Cb 0.85 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 2o58 h THR 34 CO 0.07 0.51 -0.54 1.23 -0.25 0.00 0.00 175.52 176.54 2o58 h GLY 35 N 0.08 0.00 -6.30 5.82 0.00 -1.34 -3.39 103.07 97.95 2o58 h GLY 35 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.73 2o58 h GLY 35 CO 0.09 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.11 2o58 n HIS 36 N -3.58 0.26 0.27 5.60 8.25 0.13 -5.00 115.22 121.15 2o58 n HIS 36 Ca -0.00 -3.61 0.17 0.00 -0.26 0.00 0.00 57.72 54.01 2o58 n HIS 36 Cb 0.62 -0.15 0.92 0.00 1.12 0.00 0.00 29.99 32.49 2o58 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o58 h PRO 37 N 4.85 0.00 -0.26 -0.41 0.11 -1.71 0.49 132.00 135.07 2o58 h PRO 37 Ca 0.18 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.36 2o58 h PRO 37 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2o58 h PRO 37 CO 0.49 0.00 0.25 1.05 -0.21 0.00 0.00 178.00 179.58 2o58 h GLU 38 N 0.00 0.00 -0.28 1.05 9.09 -1.93 -2.01 114.58 120.50 2o58 h GLU 38 Ca 0.03 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.29 2o58 h GLU 38 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2o58 h GLU 38 CO -0.00 0.00 -0.43 1.79 0.05 0.00 0.00 179.01 180.42 2o58 h THR 39 N 0.00 1.29 -0.97 -1.06 1.35 -1.22 -2.60 112.91 109.70 2o58 h THR 39 Ca 0.12 -1.61 0.16 0.00 -0.55 0.00 0.00 66.41 64.52 2o58 h THR 39 Cb 0.62 1.54 -0.09 0.00 -1.73 0.00 0.00 68.15 68.49 2o58 h THR 39 CO -0.00 0.52 0.61 0.25 -0.25 0.00 0.00 175.52 176.65 2o58 h LEU 40 N 0.57 0.77 -2.29 3.87 5.85 -1.50 -1.60 115.31 120.98 2o58 h LEU 40 Ca 0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2o58 h LEU 40 Cb 0.98 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2o58 h LEU 40 CO 0.09 0.36 0.00 -0.33 -0.34 0.00 0.00 178.44 178.22 2o58 h GLU 41 N 0.80 0.00 0.00 1.25 4.39 -1.51 -0.66 114.58 118.85 2o58 h GLU 41 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 2o58 h GLU 41 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2o58 h GLU 41 CO -0.28 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.20 2o58 n LYS 42 N -2.86 0.23 -3.66 2.33 4.76 -0.60 -4.54 118.16 113.81 2o58 n LYS 42 Ca -0.02 0.30 -0.39 0.00 -2.87 0.00 0.00 58.31 55.34 2o58 n LYS 42 Cb 0.11 -1.83 -0.10 0.00 -1.84 0.00 0.00 35.03 31.37 2o58 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2o58 s PHE 43 N -3.19 3.45 0.47 2.13 0.40 -0.25 -4.95 117.98 116.04 2o58 s PHE 43 Ca 0.08 -1.98 0.16 0.00 -0.60 0.00 0.00 56.93 54.59 2o58 s PHE 43 Cb 0.11 -3.19 1.13 0.00 0.51 0.00 0.00 43.02 41.58 2o58 s PHE 43 CO 0.50 -0.94 2.04 -0.44 0.70 0.00 0.00 175.22 177.08 2o58 h ASP 44 N 8.28 0.22 0.91 1.36 3.32 -1.82 -1.03 116.42 127.66 2o58 h ASP 44 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2o58 h ASP 44 Cb 1.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2o58 h ASP 44 CO 0.76 0.14 0.00 2.29 -1.72 0.00 0.00 179.24 180.71 2o58 n LYS 45 N -4.47 0.05 0.00 3.56 2.85 -1.26 -3.67 118.16 115.23 2o58 n LYS 45 Ca 0.06 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 2o58 n LYS 45 Cb 0.30 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 2o58 n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o58 n PHE 46 N -1.67 0.00 0.28 5.58 3.72 -0.72 -4.72 117.46 119.93 2o58 n PHE 46 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2o58 n PHE 46 Cb 0.30 0.00 0.82 0.00 -0.94 0.00 0.00 39.48 39.66 2o58 n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2o58 h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -1.29 -1.96 116.57 113.80 2o58 h LYS 47 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2o58 h LYS 47 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2o58 h LYS 47 CO 0.00 0.05 -0.02 1.12 -0.57 0.00 0.00 179.45 180.03 2o58 h HIS 48 N 0.00 0.00 -1.95 -1.35 2.07 -1.84 -3.41 115.15 108.67 2o58 h HIS 48 Ca -0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 2o58 h HIS 48 Cb 0.12 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.04 2o58 h HIS 48 CO 0.00 0.02 1.21 -0.51 -3.07 0.00 0.00 177.93 175.58 2o58 s LEU 49 N -6.25 3.25 0.15 6.12 1.43 -0.74 -4.81 118.68 117.82 2o58 s LEU 49 Ca -0.00 -0.12 0.23 0.00 -1.03 0.00 0.00 54.13 53.21 2o58 s LEU 49 Cb 0.10 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2o58 s LEU 49 CO 0.53 -2.18 1.00 0.29 0.23 0.00 0.00 176.35 176.22 2o58 n LYS 50 N 9.21 0.54 -4.24 1.70 4.76 -1.26 -4.93 118.16 123.93 2o58 n LYS 50 Ca 0.17 0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.52 2o58 n LYS 50 Cb 0.51 -1.75 -0.11 0.00 -1.84 0.00 0.00 35.03 31.84 2o58 n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2o58 s THR 51 N -3.34 1.24 0.52 -0.18 -4.23 -1.26 -5.03 115.64 103.36 2o58 s THR 51 Ca -0.00 -1.89 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2o58 s THR 51 Cb 0.11 -1.67 0.27 0.00 1.34 0.00 0.00 72.50 72.55 2o58 s THR 51 CO 0.80 -0.59 2.15 -0.08 -0.54 0.00 0.00 174.62 176.36 2o58 h GLU 52 N 3.15 0.00 -0.14 3.99 4.81 -1.99 -1.33 114.58 123.07 2o58 h GLU 52 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2o58 h GLU 52 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2o58 h GLU 52 CO 0.57 0.00 0.08 0.00 -0.73 0.00 0.00 179.01 178.93 2o58 h ALA 53 N 1.99 0.17 -0.84 2.92 0.00 -1.99 0.13 119.26 121.64 2o58 h ALA 53 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2o58 h ALA 53 Cb 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2o58 h ALA 53 CO -0.00 -0.35 0.50 0.93 0.00 0.00 0.00 179.25 180.33 2o58 h GLU 54 N 0.17 1.15 0.14 0.00 5.08 -1.80 -1.20 114.58 118.13 2o58 h GLU 54 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2o58 h GLU 54 Cb -0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2o58 h GLU 54 CO -0.02 0.82 -0.11 0.52 -1.00 0.00 0.00 179.01 179.22 2o58 h MET 55 N 1.16 -0.26 -0.36 2.33 2.86 -0.71 -1.86 114.93 118.09 2o58 h MET 55 Ca 0.30 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2o58 h MET 55 Cb -0.03 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2o58 h MET 55 CO -0.05 -0.17 0.23 -0.22 1.06 0.00 0.00 176.91 177.75 2o58 h LYS 56 N -0.27 0.48 -0.00 1.72 1.63 -0.45 -1.98 116.57 117.69 2o58 h LYS 56 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2o58 h LYS 56 Cb 0.24 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2o58 h LYS 56 CO -0.01 0.32 -0.17 0.00 -3.45 0.00 0.00 179.45 176.14 2o58 n ALA 57 N -2.48 2.89 -2.62 5.00 0.00 -0.48 -4.85 120.51 117.97 2o58 n ALA 57 Ca 0.02 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 2o58 n ALA 57 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 2o58 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o58 s SER 58 N -2.52 6.77 0.28 0.00 0.15 -0.72 -4.89 113.70 112.77 2o58 s SER 58 Ca 0.26 0.74 0.13 0.00 0.70 0.00 0.00 55.95 57.78 2o58 s SER 58 Cb 0.20 -2.51 0.36 0.00 -1.71 0.00 0.00 66.02 62.36 2o58 s SER 58 CO 0.50 -0.92 1.60 -0.33 1.20 0.00 0.00 173.24 175.28 2o58 h GLU 59 N 8.44 0.00 -0.04 5.44 4.39 -1.88 -2.87 114.58 128.06 2o58 h GLU 59 Ca -0.22 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.31 2o58 h GLU 59 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2o58 h GLU 59 CO 1.02 0.58 -0.71 0.22 -1.16 0.00 0.00 179.01 178.96 2o58 h ASP 60 N 0.00 0.25 -0.57 1.42 3.58 -1.96 -0.27 116.42 118.87 2o58 h ASP 60 Ca -0.01 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 2o58 h ASP 60 Cb 1.14 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2o58 h ASP 60 CO 0.08 0.88 0.11 0.25 -2.88 0.00 0.00 179.24 177.68 2o58 h LEU 61 N 0.14 0.89 -0.46 2.28 6.46 -1.86 0.12 115.31 122.90 2o58 h LEU 61 Ca -0.02 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 2o58 h LEU 61 Cb 1.27 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 2o58 h LEU 61 CO 0.11 0.91 0.18 0.50 -0.62 0.00 0.00 178.44 179.53 2o58 h LYS 62 N 0.84 0.68 -0.01 1.25 3.64 -1.29 -0.20 116.57 121.48 2o58 h LYS 62 Ca 0.18 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2o58 h LYS 62 Cb 0.39 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2o58 h LYS 62 CO 0.01 0.62 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.38 2o58 h LYS 63 N 0.60 -0.31 -0.86 1.90 3.64 -0.78 -1.02 116.57 119.73 2o58 h LYS 63 Ca 0.15 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 2o58 h LYS 63 Cb 0.19 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 2o58 h LYS 63 CO -0.01 -0.21 0.47 1.25 -2.27 0.00 0.00 179.45 178.68 2o58 h HIS 64 N -0.32 0.83 -0.53 1.91 2.76 -0.79 -1.52 115.15 117.48 2o58 h HIS 64 Ca 0.06 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2o58 h HIS 64 Cb 0.41 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 2o58 h HIS 64 CO -0.26 0.25 0.28 0.78 -1.30 0.00 0.00 177.93 177.68 2o58 h GLY 65 N 0.70 0.75 0.76 5.26 0.00 -0.24 0.98 103.07 111.28 2o58 h GLY 65 Ca 0.45 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.63 2o58 h GLY 65 CO -0.32 0.12 0.26 -0.84 0.00 0.00 0.00 176.54 175.76 2o58 h THR 66 N 0.54 0.98 0.01 4.70 2.02 -0.39 -1.18 112.91 119.59 2o58 h THR 66 Ca 0.23 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2o58 h THR 66 Cb 0.14 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2o58 h THR 66 CO -0.16 0.09 -0.02 0.58 0.37 0.00 0.00 175.52 176.39 2o58 h VAL 67 N 0.52 0.96 0.16 3.16 2.07 -0.34 -1.27 116.25 121.50 2o58 h VAL 67 Ca 0.22 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 2o58 h VAL 67 Cb 0.11 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2o58 h VAL 67 CO -0.14 0.00 -0.41 0.58 0.02 0.00 0.00 177.57 177.62 2o58 h VAL 68 N -0.04 0.17 0.00 2.57 2.07 -0.67 -1.54 116.25 118.82 2o58 h VAL 68 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2o58 h VAL 68 Cb 0.04 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2o58 h VAL 68 CO -0.01 0.00 -0.52 -0.07 0.02 0.00 0.00 177.57 176.99 2o58 h LEU 69 N -0.67 0.00 -0.76 2.57 3.38 -1.18 -1.52 115.31 117.12 2o58 h LEU 69 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2o58 h LEU 69 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2o58 h LEU 69 CO -0.22 0.52 0.15 0.74 0.09 0.00 0.00 178.44 179.73 2o58 h THR 70 N 0.00 1.26 -0.26 0.22 2.02 -1.06 0.11 112.91 115.20 2o58 h THR 70 Ca -0.01 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 2o58 h THR 70 Cb 1.04 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2o58 h THR 70 CO 0.07 0.37 -0.01 0.00 0.37 0.00 0.00 175.52 176.32 2o58 h ALA 71 N 1.13 0.35 -0.64 6.16 0.00 -0.70 -1.52 119.26 124.04 2o58 h ALA 71 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2o58 h ALA 71 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2o58 h ALA 71 CO 0.00 0.10 0.35 1.25 0.00 0.00 0.00 179.25 180.95 2o58 h LEU 72 N 0.24 0.79 -0.95 0.00 5.85 -1.11 -1.99 115.31 118.15 2o58 h LEU 72 Ca 0.07 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2o58 h LEU 72 Cb 0.43 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2o58 h LEU 72 CO 0.01 0.66 0.58 1.23 -0.34 0.00 0.00 178.44 180.59 2o58 h GLY 73 N 0.87 1.36 0.86 3.75 0.00 -0.65 0.11 103.07 109.37 2o58 h GLY 73 Ca 0.22 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.03 2o58 h GLY 73 CO -0.04 0.54 0.29 -1.33 0.00 0.00 0.00 176.54 176.00 2o58 h GLY 74 N 1.30 0.69 0.78 4.60 0.00 -0.85 -1.12 103.07 108.47 2o58 h GLY 74 Ca 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2o58 h GLY 74 CO -0.07 0.18 -0.02 -2.22 0.00 0.00 0.00 176.54 174.40 2o58 h ILE 75 N 0.57 1.10 -0.87 2.60 2.04 -0.84 -3.03 117.51 119.08 2o58 h ILE 75 Ca 0.20 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.63 2o58 h ILE 75 Cb 0.03 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2o58 h ILE 75 CO -0.10 0.13 0.54 -0.07 0.00 0.00 0.00 178.15 178.64 2o58 h LEU 76 N -0.29 0.83 -0.46 1.44 3.38 -0.54 -1.35 115.31 118.32 2o58 h LEU 76 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2o58 h LEU 76 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2o58 h LEU 76 CO 0.01 0.52 0.00 0.29 0.09 0.00 0.00 178.44 179.35 2o58 n LYS 77 N -4.63 0.10 0.01 1.13 5.02 -0.45 -1.04 118.16 118.31 2o58 n LYS 77 Ca 0.13 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.95 2o58 n LYS 77 Cb 0.21 -1.71 0.60 0.00 -0.02 0.00 0.00 35.03 34.10 2o58 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o58 n LYS 78 N -1.91 0.03 -3.72 1.97 4.76 -0.51 -4.96 118.16 113.82 2o58 n LYS 78 Ca 0.02 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.27 2o58 n LYS 78 Cb 0.17 -1.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 2o58 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o58 n LYS 79 N -1.58 -4.86 0.00 1.97 5.02 -0.20 -1.69 118.16 116.81 2o58 n LYS 79 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2o58 n LYS 79 Cb 0.35 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 2o58 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o58 n GLY 80 N -1.60 2.77 2.49 0.72 0.00 -1.26 -4.93 105.19 103.39 2o58 n GLY 80 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2o58 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o58 n HIS 81 N -2.00 2.61 -0.72 1.61 8.25 -0.68 -4.63 115.22 119.66 2o58 n HIS 81 Ca 0.00 -2.83 0.07 0.00 -0.26 0.00 0.00 57.72 54.70 2o58 n HIS 81 Cb 0.00 -1.86 0.14 0.00 1.12 0.00 0.00 29.99 29.39 2o58 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o58 n HIS 82 N 1.87 0.26 -0.21 4.41 1.44 -1.26 -4.79 115.22 116.94 2o58 n HIS 82 Ca 0.62 -0.81 -0.01 0.00 -2.01 0.00 0.00 57.72 55.51 2o58 n HIS 82 Cb 0.25 -0.15 0.06 0.00 0.12 0.00 0.00 29.99 30.27 2o58 n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o58 h GLU 83 N 0.62 -0.01 -0.76 -1.40 4.57 -1.99 0.37 114.58 115.99 2o58 h GLU 83 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2o58 h GLU 83 Cb 0.96 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.51 2o58 h GLU 83 CO 0.05 -0.01 0.37 0.00 -1.18 0.00 0.00 179.01 178.24 2o58 h ALA 84 N 1.59 1.22 0.01 2.92 0.00 -2.00 0.01 119.26 123.02 2o58 h ALA 84 Ca 0.30 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 2o58 h ALA 84 Cb 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2o58 h ALA 84 CO -0.65 0.60 -1.02 0.93 0.00 0.00 0.00 179.25 179.11 2o58 h GLU 85 N 1.07 0.66 0.16 0.00 3.07 -1.73 -3.38 114.58 114.43 2o58 h GLU 85 Ca 0.26 -0.74 -0.22 0.00 -0.50 0.00 0.00 59.36 58.17 2o58 h GLU 85 Cb 0.10 0.21 0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2o58 h GLU 85 CO -0.03 1.31 -0.94 1.25 -1.40 0.00 0.00 179.01 179.20 2o58 h LEU 86 N 0.32 0.55 -0.57 1.33 6.46 -0.04 -3.36 115.31 120.00 2o58 h LEU 86 Ca -0.13 -0.94 0.11 0.00 -0.12 0.00 0.00 57.88 56.79 2o58 h LEU 86 Cb 1.68 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 41.32 2o58 h LEU 86 CO 0.20 1.45 -0.29 0.50 -0.62 0.00 0.00 178.44 179.68 2o58 h LYS 87 N -0.26 -0.14 -0.18 1.25 3.64 -1.18 0.25 116.57 119.96 2o58 h LYS 87 Ca -0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2o58 h LYS 87 Cb 1.74 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2o58 h LYS 87 CO 0.18 -0.09 -0.21 -1.00 -2.27 0.00 0.00 179.45 176.06 2o58 h PRO 88 N -0.14 0.30 0.02 1.90 0.13 -1.75 -0.62 132.00 131.84 2o58 h PRO 88 Ca 0.24 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2o58 h PRO 88 Cb 0.53 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2o58 h PRO 88 CO -0.65 0.50 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.54 2o58 h LEU 89 N 0.28 -0.03 -0.48 1.56 3.38 -1.47 0.12 115.31 118.67 2o58 h LEU 89 Ca 0.05 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2o58 h LEU 89 Cb 0.53 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2o58 h LEU 89 CO 0.04 0.15 -0.00 0.00 0.09 0.00 0.00 178.44 178.71 2o58 h ALA 90 N 0.77 0.45 -0.34 1.53 0.00 -0.59 -1.06 119.26 120.02 2o58 h ALA 90 Ca -0.00 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2o58 h ALA 90 Cb 0.19 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2o58 h ALA 90 CO 0.01 -0.39 -0.45 1.96 0.00 0.00 0.00 179.25 180.38 2o58 h GLN 91 N 0.11 0.89 -0.17 0.00 4.20 -0.93 -1.04 115.11 118.18 2o58 h GLN 91 Ca 0.24 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.33 2o58 h GLN 91 Cb 0.36 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2o58 h GLN 91 CO -0.40 1.15 -0.41 0.66 -0.67 0.00 0.00 178.83 179.15 2o58 h SER 92 N 0.71 0.40 0.33 1.46 4.64 -0.66 0.10 113.55 120.53 2o58 h SER 92 Ca 0.04 -0.17 -0.19 0.00 -0.47 0.00 0.00 61.79 61.00 2o58 h SER 92 Cb 1.04 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2o58 h SER 92 CO 0.10 0.77 -0.78 0.45 -0.87 0.00 0.00 176.83 176.51 2o58 h HIS 93 N 0.32 0.50 0.04 4.77 3.86 -0.96 0.39 115.15 124.07 2o58 h HIS 93 Ca 0.03 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2o58 h HIS 93 Cb 0.86 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2o58 h HIS 93 CO 0.02 1.00 -0.02 0.00 0.86 0.00 0.00 177.93 179.80 2o58 h ALA 94 N 0.93 -0.06 0.17 2.45 0.00 -1.08 0.14 119.26 121.81 2o58 h ALA 94 Ca -0.04 -0.31 -0.36 0.00 0.00 0.00 0.00 54.91 54.20 2o58 h ALA 94 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2o58 h ALA 94 CO 0.13 -0.18 -1.81 1.15 0.00 0.00 0.00 179.25 178.54 2o58 h THR 95 N -0.76 0.86 0.00 0.00 2.02 -0.82 -3.25 112.91 110.96 2o58 h THR 95 Ca -0.01 -2.47 -0.09 0.00 0.77 0.00 0.00 66.41 64.61 2o58 h THR 95 Cb 0.65 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2o58 h THR 95 CO 0.01 0.87 -0.98 1.17 0.37 0.00 0.00 175.52 176.96 2o58 n LYS 96 N -3.57 0.51 0.12 6.66 4.81 -0.06 -4.61 118.16 122.01 2o58 n LYS 96 Ca -0.27 0.43 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2o58 n LYS 96 Cb 1.07 -1.62 0.19 0.00 0.02 0.00 0.00 35.03 34.68 2o58 n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2o58 h HIS 97 N -1.00 0.00 -5.88 5.64 3.86 -1.12 -3.48 115.15 113.17 2o58 h HIS 97 Ca -0.14 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.72 2o58 h HIS 97 Cb 0.89 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.49 2o58 h HIS 97 CO -0.20 0.00 -0.90 1.63 0.86 0.00 0.00 177.93 179.33 2o58 n LYS 98 N -2.53 -2.03 -3.47 2.45 4.76 0.04 -4.97 118.16 112.40 2o58 n LYS 98 Ca 0.03 0.65 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 2o58 n LYS 98 Cb 0.49 -4.96 -0.09 0.00 -1.84 0.00 0.00 35.03 28.63 2o58 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2o58 s ILE 99 N -3.45 4.89 0.67 -0.18 -1.09 0.28 -5.01 121.20 117.31 2o58 s ILE 99 Ca 0.42 -1.12 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 2o58 s ILE 99 Cb -0.11 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2o58 s ILE 99 CO 0.80 -0.52 1.28 -2.16 -1.23 0.00 0.00 174.94 173.12 2o58 s PRO 100 N 1.57 2.43 0.48 2.79 0.04 -1.26 -4.70 135.00 136.35 2o58 s PRO 100 Ca 0.04 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.26 2o58 s PRO 100 Cb -0.23 -1.84 1.17 0.00 0.04 0.00 0.00 34.50 33.64 2o58 s PRO 100 CO 0.05 -1.68 2.05 0.97 0.04 0.00 0.00 177.00 178.43 2o58 h ILE 101 N 0.35 0.92 -1.06 0.56 6.09 -1.93 0.11 117.51 122.55 2o58 h ILE 101 Ca -0.50 -0.07 0.28 0.00 -1.37 0.00 0.00 64.86 63.20 2o58 h ILE 101 Cb 1.33 0.69 -0.11 0.00 0.47 0.00 0.00 36.82 39.21 2o58 h ILE 101 CO 0.52 0.04 0.67 0.50 -3.07 0.00 0.00 178.15 176.81 2o58 h LYS 102 N 0.21 0.39 0.00 2.19 1.63 -2.00 0.04 116.57 119.03 2o58 h LYS 102 Ca 0.17 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.80 2o58 h LYS 102 Cb 0.40 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2o58 h LYS 102 CO -0.03 0.25 -0.69 1.88 -3.45 0.00 0.00 179.45 177.41 2o58 h TYR 103 N 0.40 0.00 -0.17 1.91 -1.99 -1.11 -0.70 116.97 115.30 2o58 h TYR 103 Ca 0.63 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.25 2o58 h TYR 103 Cb 1.56 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.28 2o58 h TYR 103 CO -0.00 0.69 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.38 2o58 h LEU 104 N 0.00 0.39 0.04 3.88 3.38 -1.06 -0.57 115.31 121.37 2o58 h LEU 104 Ca -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2o58 h LEU 104 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2o58 h LEU 104 CO 0.09 0.75 -0.02 -0.08 0.09 0.00 0.00 178.44 179.27 2o58 h GLU 105 N 0.31 -0.06 -0.53 1.13 4.81 -0.72 -1.76 114.58 117.77 2o58 h GLU 105 Ca 0.03 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2o58 h GLU 105 Cb 0.84 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.14 2o58 h GLU 105 CO 0.07 0.07 -0.02 0.74 -0.73 0.00 0.00 179.01 179.14 2o58 h PHE 106 N -0.17 -0.08 0.00 0.92 0.04 -0.89 -1.30 116.94 115.46 2o58 h PHE 106 Ca -0.01 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 2o58 h PHE 106 Cb 0.15 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2o58 h PHE 106 CO -0.04 -0.15 -0.54 0.97 -0.60 0.00 0.00 178.31 177.96 2o58 h ILE 107 N 0.09 1.34 -0.31 -0.55 2.10 -1.00 -0.14 117.51 119.03 2o58 h ILE 107 Ca 0.27 -1.88 -0.00 0.00 1.08 0.00 0.00 64.86 64.33 2o58 h ILE 107 Cb 0.41 2.03 -0.02 0.00 -1.09 0.00 0.00 36.82 38.16 2o58 h ILE 107 CO -0.46 0.53 0.19 0.28 -1.08 0.00 0.00 178.15 177.61 2o58 h SER 108 N 0.00 0.37 -0.53 2.19 0.02 -0.69 -1.20 113.55 113.72 2o58 h SER 108 Ca -0.01 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2o58 h SER 108 Cb 0.98 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2o58 h SER 108 CO 0.07 0.30 0.23 0.44 -1.14 0.00 0.00 176.83 176.73 2o58 h ASP 109 N 0.41 0.71 -0.92 3.07 3.32 -0.99 -2.49 116.42 119.53 2o58 h ASP 109 Ca 0.11 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2o58 h ASP 109 Cb -0.01 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 2o58 h ASP 109 CO -0.02 0.66 0.58 0.00 -1.72 0.00 0.00 179.24 178.74 2o58 h ALA 110 N 1.07 1.27 -0.42 3.45 0.00 -0.69 -0.82 119.26 123.13 2o58 h ALA 110 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2o58 h ALA 110 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2o58 h ALA 110 CO -0.02 0.34 0.22 0.82 0.00 0.00 0.00 179.25 180.61 2o58 h ILE 111 N 1.05 1.16 -0.65 0.00 2.04 -0.84 0.94 117.51 121.22 2o58 h ILE 111 Ca 0.40 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2o58 h ILE 111 Cb 0.17 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2o58 h ILE 111 CO -0.17 0.17 0.30 0.40 0.00 0.00 0.00 178.15 178.85 2o58 h ILE 112 N 0.54 1.23 0.17 -0.67 1.08 -1.02 -1.14 117.51 117.70 2o58 h ILE 112 Ca 0.15 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2o58 h ILE 112 Cb 0.08 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2o58 h ILE 112 CO -0.02 0.27 -0.08 -0.74 -0.69 0.00 0.00 178.15 176.88 2o58 h HIS 113 N 0.90 -0.21 -0.77 1.37 2.76 -0.85 -2.59 115.15 115.76 2o58 h HIS 113 Ca 0.22 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2o58 h HIS 113 Cb 0.14 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 2o58 h HIS 113 CO 0.01 -0.06 0.46 0.28 -1.30 0.00 0.00 177.93 177.31 2o58 h VAL 114 N -0.32 0.99 -0.24 5.26 2.07 -0.62 0.63 116.25 124.02 2o58 h VAL 114 Ca -0.02 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2o58 h VAL 114 Cb 0.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2o58 h VAL 114 CO 0.04 0.15 0.09 -0.07 0.02 0.00 0.00 177.57 177.80 2o58 h LEU 115 N 0.82 0.12 -0.85 2.57 3.38 -1.13 0.14 115.31 120.36 2o58 h LEU 115 Ca 0.35 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.36 2o58 h LEU 115 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2o58 h LEU 115 CO -0.19 0.10 0.55 0.45 0.09 0.00 0.00 178.44 179.44 2o58 h HIS 116 N 0.21 1.03 -0.38 1.13 3.86 -1.13 -1.01 115.15 118.86 2o58 h HIS 116 Ca 0.10 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 2o58 h HIS 116 Cb 0.06 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 2o58 h HIS 116 CO -0.12 0.61 -0.16 1.03 0.86 0.00 0.00 177.93 180.16 2o58 h SER 117 N 1.09 0.80 1.71 2.45 0.87 -0.10 -1.83 113.55 118.54 2o58 h SER 117 Ca 0.33 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2o58 h SER 117 Cb -0.04 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2o58 h SER 117 CO -0.10 1.02 -0.25 0.11 -0.53 0.00 0.00 176.83 177.08 2o58 h LYS 118 N 0.58 0.00 -1.39 2.24 1.57 -0.70 -3.38 116.57 115.49 2o58 h LYS 118 Ca 0.09 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.45 2o58 h LYS 118 Cb 0.71 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.62 2o58 h LYS 118 CO 0.05 0.00 -1.17 0.72 -0.57 0.00 0.00 179.45 178.48 2o58 n HIS 119 N -2.93 0.97 -1.92 -1.35 8.25 -0.39 -5.08 115.22 112.77 2o58 n HIS 119 Ca 0.03 -3.18 -0.42 0.00 -0.26 0.00 0.00 57.72 53.89 2o58 n HIS 119 Cb 0.53 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 2o58 n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o58 s PRO 120 N -2.91 4.21 0.00 -0.41 0.04 -0.70 -0.65 135.00 134.58 2o58 s PRO 120 Ca 0.33 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2o58 s PRO 120 Cb 0.42 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2o58 s PRO 120 CO -0.01 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2o58 n GLY 121 N 3.56 1.70 0.17 0.56 0.00 -1.26 -4.83 105.19 105.10 2o58 n GLY 121 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2o58 n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o58 n ASP 122 N 0.00 2.48 -3.64 1.61 2.03 0.17 -4.81 116.55 114.39 2o58 n ASP 122 Ca 0.00 -2.82 -0.29 0.00 0.52 0.00 0.00 54.79 52.21 2o58 n ASP 122 Cb 0.00 -0.35 -0.12 0.00 -0.72 0.00 0.00 41.12 39.93 2o58 n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o58 s PHE 123 N -2.42 1.90 0.92 -0.67 5.36 -1.20 -5.03 117.98 116.84 2o58 s PHE 123 Ca 0.26 -2.46 -0.12 0.00 -0.96 0.00 0.00 56.93 53.65 2o58 s PHE 123 Cb 0.22 -1.70 0.14 0.00 -0.34 0.00 0.00 43.02 41.35 2o58 s PHE 123 CO 0.04 -0.76 1.10 0.20 -1.46 0.00 0.00 175.22 174.34 2o58 s GLY 124 N 0.08 1.59 0.25 13.12 0.00 -1.26 -4.69 107.32 116.41 2o58 s GLY 124 Ca 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 2o58 s GLY 124 CO -0.07 0.25 1.77 0.00 0.00 0.00 0.00 173.10 175.05 2o58 h ALA 125 N -1.57 1.18 -0.20 3.20 0.00 -1.99 -0.09 119.26 119.79 2o58 h ALA 125 Ca -0.51 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2o58 h ALA 125 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2o58 h ALA 125 CO 0.58 -0.06 0.01 0.38 0.00 0.00 0.00 179.25 180.16 2o58 h ASP 126 N 0.63 0.34 -0.44 0.00 3.04 -1.99 -1.53 116.42 116.46 2o58 h ASP 126 Ca 0.42 -0.30 0.04 0.00 -3.24 0.00 0.00 57.03 53.96 2o58 h ASP 126 Cb 0.54 -0.09 -0.04 0.00 -1.04 0.00 0.00 39.33 38.69 2o58 h ASP 126 CO -0.33 0.55 0.20 0.00 -2.04 0.00 0.00 179.24 177.62 2o58 h ALA 127 N 0.80 0.55 -0.31 4.15 0.00 -1.78 -0.27 119.26 122.38 2o58 h ALA 127 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2o58 h ALA 127 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2o58 h ALA 127 CO 0.01 -0.17 0.20 0.37 0.00 0.00 0.00 179.25 179.65 2o58 h GLN 128 N 0.40 0.42 -0.66 0.00 4.15 -0.93 0.63 115.11 119.11 2o58 h GLN 128 Ca 0.20 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.69 2o58 h GLN 128 Cb 0.14 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.66 2o58 h GLN 128 CO -0.16 0.30 0.28 0.78 -1.93 0.00 0.00 178.83 178.09 2o58 h GLY 129 N 0.41 0.96 0.52 2.39 0.00 -0.81 -0.11 103.07 106.44 2o58 h GLY 129 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2o58 h GLY 129 CO -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 2o58 h ALA 130 N 1.44 -0.13 -0.98 3.60 0.00 -0.63 -1.70 119.26 120.87 2o58 h ALA 130 Ca 0.34 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2o58 h ALA 130 Cb 0.41 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2o58 h ALA 130 CO -0.31 -0.33 0.62 1.98 0.00 0.00 0.00 179.25 181.21 2o58 h MET 131 N -0.61 1.02 -0.24 0.00 -1.53 -0.82 -1.04 114.93 111.71 2o58 h MET 131 Ca -0.01 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.17 2o58 h MET 131 Cb 0.49 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 2o58 h MET 131 CO 0.02 0.67 0.08 1.15 0.14 0.00 0.00 176.91 178.98 2o58 h THR 132 N 1.05 1.19 -0.86 -0.77 2.02 -0.95 -0.57 112.91 114.03 2o58 h THR 132 Ca 0.45 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 67.11 2o58 h THR 132 Cb 0.32 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 2o58 h THR 132 CO -0.22 0.19 0.52 0.11 0.37 0.00 0.00 175.52 176.49 2o58 h LYS 133 N 0.23 0.88 -0.44 6.66 1.57 -0.80 -0.20 116.57 124.47 2o58 h LYS 133 Ca 0.08 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2o58 h LYS 133 Cb 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2o58 h LYS 133 CO -0.00 0.58 -0.14 0.00 -0.57 0.00 0.00 179.45 179.32 2o58 h ALA 134 N 1.43 0.61 -0.53 3.86 0.00 -0.74 -0.87 119.26 123.02 2o58 h ALA 134 Ca 0.39 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2o58 h ALA 134 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2o58 h ALA 134 CO -0.21 0.53 -0.14 -0.07 0.00 0.00 0.00 179.25 179.36 2o58 h LEU 135 N 0.70 1.03 -0.59 0.00 3.38 -0.80 -1.96 115.31 117.07 2o58 h LEU 135 Ca 0.11 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2o58 h LEU 135 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2o58 h LEU 135 CO 0.05 1.15 0.28 -0.33 0.09 0.00 0.00 178.44 179.68 2o58 h GLU 136 N 0.90 0.85 -0.21 1.13 5.08 -0.94 -0.63 114.58 120.76 2o58 h GLU 136 Ca 0.13 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2o58 h GLU 136 Cb 0.71 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2o58 h GLU 136 CO 0.05 0.69 0.05 1.25 -1.00 0.00 0.00 179.01 180.06 2o58 h LEU 137 N 0.81 0.04 0.11 1.33 5.85 -1.00 0.56 115.31 123.02 2o58 h LEU 137 Ca 0.20 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2o58 h LEU 137 Cb 0.13 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2o58 h LEU 137 CO -0.02 0.05 -0.46 0.15 -0.34 0.00 0.00 178.44 177.82 2o58 h PHE 138 N 0.14 -1.31 -0.57 1.25 3.57 -1.28 -0.21 116.94 118.54 2o58 h PHE 138 Ca 0.09 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.74 2o58 h PHE 138 Cb 0.07 0.56 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 2o58 h PHE 138 CO -0.13 -0.55 0.04 -0.09 -2.23 0.00 0.00 178.31 175.35 2o58 h ARG 139 N -0.69 0.15 -0.32 1.11 2.43 -0.87 -1.32 114.38 114.86 2o58 h ARG 139 Ca 0.01 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2o58 h ARG 139 Cb 0.71 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2o58 h ARG 139 CO -0.27 0.10 -0.29 -0.97 -1.51 0.00 0.00 179.97 177.03 2o58 h ASN 140 N 0.16 0.70 0.11 -3.80 -1.24 0.52 0.69 115.58 112.73 2o58 h ASN 140 Ca 0.30 -0.27 -0.17 0.00 0.71 0.00 0.00 56.30 56.87 2o58 h ASN 140 Cb 0.46 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2o58 h ASN 140 CO -0.45 0.95 -0.61 0.44 -1.29 0.00 0.00 177.43 176.47 2o58 h ASP 141 N 0.58 0.56 -0.42 1.15 3.32 -0.69 -1.03 116.42 119.88 2o58 h ASP 141 Ca 0.07 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2o58 h ASP 141 Cb 0.79 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2o58 h ASP 141 CO 0.06 1.04 0.13 0.40 -1.72 0.00 0.00 179.24 179.15 2o58 h ILE 142 N 0.36 1.22 -0.81 0.35 2.04 -0.92 -2.83 117.51 116.92 2o58 h ILE 142 Ca -0.01 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.18 2o58 h ILE 142 Cb 1.16 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2o58 h ILE 142 CO 0.11 0.26 0.53 0.00 0.00 0.00 0.00 178.15 179.05 2o58 h ALA 143 N 0.98 1.58 -0.56 1.87 0.00 -0.41 0.51 119.26 123.22 2o58 h ALA 143 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2o58 h ALA 143 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2o58 h ALA 143 CO -0.00 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.91 2o58 h ALA 144 N 1.55 0.72 -0.51 0.00 0.00 -0.97 -0.60 119.26 119.44 2o58 h ALA 144 Ca 0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2o58 h ALA 144 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2o58 h ALA 144 CO -0.12 0.17 -0.07 0.87 0.00 0.00 0.00 179.25 180.10 2o58 h LYS 145 N 0.76 0.93 -0.65 0.00 1.79 -0.83 -1.78 116.57 116.79 2o58 h LYS 145 Ca 0.20 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2o58 h LYS 145 Cb -0.06 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 2o58 h LYS 145 CO -0.04 0.97 0.42 1.88 -1.08 0.00 0.00 179.45 181.59 2o58 h TYR 146 N 0.84 0.83 -0.33 -1.35 -1.99 -0.72 -1.79 116.97 112.45 2o58 h TYR 146 Ca 0.14 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2o58 h TYR 146 Cb 0.60 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 2o58 h TYR 146 CO 0.04 0.53 0.20 -0.22 -0.00 0.00 0.00 178.16 178.70 2o58 h LYS 147 N 0.88 0.45 -0.76 4.88 3.64 -0.75 0.38 116.57 125.29 2o58 h LYS 147 Ca 0.24 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.71 2o58 h LYS 147 Cb -0.08 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.55 2o58 h LYS 147 CO -0.05 0.35 0.31 1.49 -2.27 0.00 0.00 179.45 179.28 2o58 h GLU 148 N 0.43 0.44 -0.00 1.90 4.81 -1.03 -0.01 114.58 121.11 2o58 h GLU 148 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2o58 h GLU 148 Cb 0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2o58 h GLU 148 CO -0.02 0.29 -0.06 1.28 -0.73 0.00 0.00 179.01 179.77 2o58 n LEU 149 N -4.99 0.07 -1.93 1.64 4.77 -0.70 -4.92 117.00 110.93 2o58 n LEU 149 Ca 0.14 0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 2o58 n LEU 149 Cb 0.41 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2o58 n LEU 149 CO 0.19 0.02 -0.20 0.61 -1.33 0.00 0.00 177.39 176.67 2o58 n GLY 150 N 1.48 -0.31 3.74 -0.72 0.00 -0.02 -4.99 105.19 104.36 2o58 n GLY 150 Ca 0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2o58 n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o58 s PHE 151 N -2.84 3.56 -0.54 1.61 5.36 -0.31 -5.01 117.98 119.81 2o58 s PHE 151 Ca 0.02 0.98 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 2o58 s PHE 151 Cb -0.01 -2.56 0.03 0.00 -0.34 0.00 0.00 43.02 40.14 2o58 s PHE 151 CO 0.02 0.23 0.64 1.04 -1.46 0.00 0.00 175.22 175.69