#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jua n TYR 2 N 0.00 0.00 0.00 1.12 4.02 -1.26 -4.97 117.16 116.07 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2jua n TYR 2 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jua n GLY 3 N 0.72 2.27 0.29 2.72 0.00 -1.26 -4.94 105.19 104.98 2jua n GLY 3 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2jua n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 4 N 0.47 0.00 -0.03 1.61 1.57 -2.01 -2.82 116.57 115.36 2jua h LYS 4 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2jua h LYS 4 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2jua h LYS 4 CO 0.00 0.03 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.32 2jua h LEU 5 N 0.00 -1.59 -1.51 2.94 -0.00 -1.97 0.82 115.31 114.00 2jua h LEU 5 Ca -0.00 0.18 0.49 0.00 -0.00 0.00 0.00 57.88 58.56 2jua h LEU 5 Cb 0.07 0.61 -0.12 0.00 -0.00 0.00 0.00 40.66 41.23 2jua h LEU 5 CO 0.00 -0.50 1.01 -0.46 -0.00 0.00 0.00 178.44 178.50 2jua n ASN 6 N -5.46 0.14 -0.10 -0.43 0.23 -1.06 0.44 115.26 109.02 2jua n ASN 6 Ca -0.07 1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 55.08 2jua n ASN 6 Cb 0.39 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.45 2jua n ASN 6 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2jua h ASP 7 N 0.00 0.82 -0.08 0.53 3.58 0.48 0.26 116.42 122.00 2jua h ASP 7 Ca 0.87 -0.46 -0.05 0.00 0.42 0.00 0.00 57.03 57.81 2jua h ASP 7 Cb 3.02 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 43.84 2jua h ASP 7 CO -0.32 1.11 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.94 2jua h LEU 8 N 0.54 0.27 0.30 2.28 -0.00 1.03 -0.45 115.31 119.27 2jua h LEU 8 Ca 0.06 -0.54 -0.01 0.00 -0.00 0.00 0.00 57.88 57.38 2jua h LEU 8 Cb 0.87 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 2jua h LEU 8 CO 0.07 0.76 -0.22 0.25 -0.00 0.00 0.00 178.44 179.30 2jua h LEU 9 N -0.22 -0.59 0.25 1.67 6.46 0.15 0.30 115.31 123.34 2jua h LEU 9 Ca 0.01 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2jua h LEU 9 Cb 0.70 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.79 2jua h LEU 9 CO 0.03 -0.32 -0.32 -0.08 -0.62 0.00 0.00 178.44 177.14 2jua h GLU 10 N -0.50 -0.60 -0.79 1.25 4.81 -0.59 0.11 114.58 118.27 2jua h GLU 10 Ca -0.04 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 2jua h GLU 10 Cb 0.41 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2jua h GLU 10 CO 0.01 -0.40 0.56 0.22 -0.73 0.00 0.00 179.01 178.67 2jua h ASP 11 N -0.62 0.06 0.07 1.04 1.82 -1.06 0.12 116.42 117.85 2jua h ASP 11 Ca -0.00 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jua h ASP 11 Cb 0.59 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2jua h ASP 11 CO -0.10 0.03 -0.03 0.25 -1.61 0.00 0.00 179.24 177.77 2jua h LEU 12 N 0.06 -0.08 -2.95 2.28 5.85 0.12 -2.94 115.31 117.65 2jua h LEU 12 Ca 0.38 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jua h LEU 12 Cb 1.41 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2jua h LEU 12 CO -0.03 0.61 0.01 0.06 -0.34 0.00 0.00 178.44 178.75 2jua h GLN 13 N -0.92 0.00 0.35 1.25 3.07 -0.04 -2.54 115.11 116.29 2jua h GLN 13 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2jua h GLN 13 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 2jua h GLN 13 CO 0.02 0.00 -0.17 0.93 0.09 0.00 0.00 178.83 179.70 2jua h GLU 14 N 0.00 -0.45 -1.26 0.06 4.39 -0.77 -1.67 114.58 114.88 2jua h GLU 14 Ca 0.00 0.03 0.37 0.00 0.34 0.00 0.00 59.36 60.10 2jua h GLU 14 Cb 0.02 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.68 2jua h GLU 14 CO -0.00 -0.30 0.86 -0.39 -1.16 0.00 0.00 179.01 178.02 2jua h VAL 15 N -0.90 0.33 -0.07 3.13 -1.51 -1.30 2.81 116.25 118.74 2jua h VAL 15 Ca -0.05 -0.05 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 2jua h VAL 15 Cb 0.36 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2jua h VAL 15 CO 0.08 0.03 -0.44 0.25 -1.23 0.00 0.00 177.57 176.25 2jua h LEU 16 N 0.15 0.18 0.08 4.19 5.85 -1.33 -2.30 115.31 122.12 2jua h LEU 16 Ca 0.68 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.32 2jua h LEU 16 Cb 2.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.25 2jua h LEU 16 CO -0.20 0.60 -0.04 0.50 -0.34 0.00 0.00 178.44 178.96 2jua h LYS 17 N 0.14 -0.11 0.00 1.25 1.63 0.58 -2.10 116.57 117.97 2jua h LYS 17 Ca 0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jua h LYS 17 Cb 0.84 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 2jua h LYS 17 CO 0.07 0.31 0.00 0.72 -3.45 0.00 0.00 179.45 177.09 2jua n HIS 18 N -4.81 0.00 -0.04 1.91 8.25 0.13 -0.54 115.22 120.13 2jua n HIS 18 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2jua n HIS 18 Cb 0.23 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 2jua n HIS 18 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jua n VAL 19 N -1.02 0.47 0.05 1.59 0.31 -0.87 -3.94 118.33 114.92 2jua n VAL 19 Ca 0.01 -0.44 -0.11 0.00 -0.01 0.00 0.00 64.34 63.78 2jua n VAL 19 Cb 0.00 -0.25 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 2jua n VAL 19 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2jua h ASN 20 N 0.00 -0.73 1.30 4.52 -0.73 -0.10 0.03 115.58 119.86 2jua h ASN 20 Ca -0.19 0.10 -0.13 0.00 1.87 0.00 0.00 56.30 57.96 2jua h ASN 20 Cb 1.25 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 40.13 2jua h ASN 20 CO 0.01 -0.31 -0.72 1.56 -0.37 0.00 0.00 177.43 177.60 2jua h GLN 21 N -0.37 0.00 -0.70 6.67 1.08 -1.81 -3.20 115.11 116.78 2jua h GLN 21 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2jua h GLN 21 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2jua h GLN 21 CO -0.23 0.55 0.00 0.72 -0.95 0.00 0.00 178.83 178.92 2jua n HIS 22 N -3.19 0.73 -2.81 2.96 8.25 -0.97 -4.89 115.22 115.29 2jua n HIS 22 Ca -0.00 -0.27 -0.32 0.00 -0.26 0.00 0.00 57.72 56.87 2jua n HIS 22 Cb 0.79 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 2jua n HIS 22 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2jua s TRP 23 N -1.68 3.36 0.00 4.41 -0.11 -0.04 -4.34 118.94 120.54 2jua s TRP 23 Ca 0.21 1.45 0.00 0.00 1.22 0.00 0.00 56.10 58.98 2jua s TRP 23 Cb 0.15 -2.74 0.00 0.00 -1.50 0.00 0.00 33.47 29.38 2jua s TRP 23 CO 0.08 -0.12 0.00 0.94 -4.62 0.00 0.00 176.95 173.23 2jua n GLN 24 N -0.82 0.00 -4.12 5.86 0.00 -1.26 -4.90 117.38 112.15 2jua n GLN 24 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.74 2jua n GLN 24 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.72 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jua n GLY 25 N 0.00 -0.29 0.00 1.69 0.00 -1.26 -4.31 105.19 101.02 2jua n GLY 25 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jua n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 26 N -2.31 0.96 0.03 -0.02 0.00 -1.26 -4.84 105.19 97.76 2jua n GLY 26 Ca -0.24 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.21 2jua n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jua n GLN 27 N 0.15 0.41 0.12 1.61 7.27 -1.26 -3.20 117.38 122.47 2jua n GLN 27 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 57.00 57.01 2jua n GLN 27 Cb 0.00 -1.50 0.03 0.00 2.41 0.00 0.00 30.24 31.19 2jua n GLN 27 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2jua h LYS 28 N 0.15 0.00 -0.16 3.69 2.10 -1.93 -3.12 116.57 117.31 2jua h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jua h LYS 28 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2jua h LYS 28 CO 0.00 0.64 0.10 -0.91 -2.00 0.00 0.00 179.45 177.28 2jua h ASN 29 N 0.00 0.18 -1.00 7.07 2.35 -1.92 -1.19 115.58 121.07 2jua h ASN 29 Ca -0.01 -0.01 0.27 0.00 -0.55 0.00 0.00 56.30 56.01 2jua h ASN 29 Cb 1.42 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.68 2jua h ASN 29 CO 0.08 0.13 0.69 -0.03 -1.65 0.00 0.00 177.43 176.65 2jua h MET 30 N 0.21 0.19 0.00 0.81 4.05 -1.74 0.86 114.93 119.31 2jua h MET 30 Ca 0.06 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2jua h MET 30 Cb -0.02 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 2jua h MET 30 CO -0.01 0.13 -0.39 -0.91 0.23 0.00 0.00 176.91 175.96 2jua h ASN 31 N 0.20 0.00 -0.78 1.39 2.35 -1.42 -0.63 115.58 116.69 2jua h ASN 31 Ca 0.51 -0.71 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2jua h ASN 31 Cb 1.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.98 2jua h ASN 31 CO -0.13 1.08 0.51 0.11 -1.65 0.00 0.00 177.43 177.36 2jua h LYS 32 N -1.00 0.96 0.10 0.81 1.79 -1.20 -2.15 116.57 115.88 2jua h LYS 32 Ca -0.10 -0.06 -0.27 0.00 -2.18 0.00 0.00 60.65 58.04 2jua h LYS 32 Cb 0.97 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2jua h LYS 32 CO -0.06 0.64 -1.30 -0.39 -1.08 0.00 0.00 179.45 177.26 2jua h VAL 33 N 0.99 1.42 -0.86 0.50 -1.51 0.59 -3.21 116.25 114.17 2jua h VAL 33 Ca 0.30 -3.04 0.10 0.00 -1.23 0.00 0.00 66.70 62.83 2jua h VAL 33 Cb -0.02 2.86 -0.08 0.00 -2.13 0.00 0.00 31.29 31.92 2jua h VAL 33 CO -0.08 0.87 0.50 -0.78 -1.23 0.00 0.00 177.57 176.85 2jua h ASP 34 N 0.06 0.71 -0.11 4.19 3.58 -0.48 0.06 116.42 124.42 2jua h ASP 34 Ca -0.15 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.24 2jua h ASP 34 Cb 1.95 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 2jua h ASP 34 CO 0.18 0.39 -0.30 0.45 -2.88 0.00 0.00 179.24 177.07 2jua h HIS 35 N 0.81 0.68 -0.18 0.28 3.86 -1.52 -0.64 115.15 118.46 2jua h HIS 35 Ca 0.42 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2jua h HIS 35 Cb 0.41 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2jua h HIS 35 CO -0.05 0.83 0.10 0.45 0.86 0.00 0.00 177.93 180.11 2jua h HIS 36 N 0.51 0.18 0.30 2.45 3.86 -1.02 -2.95 115.15 118.48 2jua h HIS 36 Ca 0.06 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2jua h HIS 36 Cb 0.78 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2jua h HIS 36 CO 0.03 0.11 -0.14 -0.07 0.86 0.00 0.00 177.93 178.72 2jua h LEU 37 N 0.21 -0.34 -1.13 2.43 3.38 -1.24 -3.10 115.31 115.52 2jua h LEU 37 Ca 0.07 -0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.26 2jua h LEU 37 Cb 0.00 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2jua h LEU 37 CO -0.04 0.14 0.96 0.00 0.09 0.00 0.00 178.44 179.59 2jua n GLN 38 N -5.04 0.00 0.09 1.13 6.02 -0.26 0.35 117.38 119.69 2jua n GLN 38 Ca -0.07 0.75 -0.23 0.00 -0.01 0.00 0.00 57.00 57.44 2jua n GLN 38 Cb 0.22 -1.79 -0.15 0.00 1.02 0.00 0.00 30.24 29.53 2jua n GLN 38 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2jua h ASN 39 N 0.00 0.68 0.25 1.08 -1.24 -1.45 -3.30 115.58 111.59 2jua h ASN 39 Ca 0.54 -0.92 -0.01 0.00 0.71 0.00 0.00 56.30 56.61 2jua h ASN 39 Cb 2.45 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 41.28 2jua h ASN 39 CO -0.01 1.70 -0.12 0.58 -1.29 0.00 0.00 177.43 178.30 2jua h VAL 40 N 0.03 0.00 -0.72 2.57 2.07 0.62 -2.79 116.25 118.04 2jua h VAL 40 Ca -0.29 -0.19 0.21 0.00 0.82 0.00 0.00 66.70 67.25 2jua h VAL 40 Cb 2.05 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2jua h VAL 40 CO 0.20 0.00 0.98 -0.38 0.02 0.00 0.00 177.57 178.39 2jua n ILE 41 N -3.45 0.00 0.07 4.57 5.41 -0.63 0.40 119.36 125.74 2jua n ILE 41 Ca -0.04 1.00 -0.19 0.00 1.00 0.00 0.00 62.75 64.52 2jua n ILE 41 Cb 0.13 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.14 2jua n ILE 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2jua h GLU 42 N 0.00 0.56 -0.09 0.38 4.81 -1.58 -3.02 114.58 115.64 2jua h GLU 42 Ca 0.34 -0.67 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2jua h GLU 42 Cb 2.30 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 31.88 2jua h GLU 42 CO -0.00 1.27 0.05 0.22 -0.73 0.00 0.00 179.01 179.82 2jua h ASP 43 N 0.29 0.11 -0.58 1.04 1.82 0.80 -2.44 116.42 117.45 2jua h ASP 43 Ca -0.13 -0.08 0.12 0.00 -0.39 0.00 0.00 57.03 56.54 2jua h ASP 43 Cb 1.75 -0.03 -0.10 0.00 0.68 0.00 0.00 39.33 41.63 2jua h ASP 43 CO 0.20 0.16 -0.07 0.40 -1.61 0.00 0.00 179.24 178.32 2jua h ILE 44 N 0.06 0.47 -0.84 2.25 2.04 -1.53 0.75 117.51 120.70 2jua h ILE 44 Ca 0.03 -0.02 0.18 0.00 1.00 0.00 0.00 64.86 66.06 2jua h ILE 44 Cb 0.07 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2jua h ILE 44 CO -0.01 0.01 0.56 -0.74 0.00 0.00 0.00 178.15 177.98 2jua h HIS 45 N 0.06 0.49 -0.00 1.37 2.76 -1.31 0.94 115.15 119.45 2jua h HIS 45 Ca 0.29 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2jua h HIS 45 Cb 0.46 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2jua h HIS 45 CO -0.42 0.15 -0.03 -0.25 -1.30 0.00 0.00 177.93 176.08 2jua n ASP 46 N -4.48 0.11 0.18 3.26 9.92 0.25 -3.12 116.55 122.67 2jua n ASP 46 Ca 0.17 -0.25 0.09 0.00 -0.53 0.00 0.00 54.79 54.27 2jua n ASP 46 Cb 0.64 -0.23 0.11 0.00 -0.64 0.00 0.00 41.12 41.00 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2jua h PHE 47 N 0.12 0.00 0.03 1.24 3.04 0.19 -0.01 116.94 121.55 2jua h PHE 47 Ca 0.00 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 2jua h PHE 47 Cb 0.30 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2jua h PHE 47 CO 0.00 0.16 -0.98 0.52 -2.02 0.00 0.00 178.31 175.99 2jua h MET 48 N 0.00 0.12 0.05 1.11 0.00 -1.52 -3.35 114.93 111.34 2jua h MET 48 Ca -0.01 -0.16 -0.37 0.00 0.00 0.00 0.00 59.70 59.16 2jua h MET 48 Cb 1.13 0.05 -0.04 0.00 0.00 0.00 0.00 31.60 32.74 2jua h MET 48 CO 0.02 1.00 -2.14 0.00 0.00 0.00 0.00 176.91 175.79 2jua n GLN 49 N -3.52 0.67 0.00 1.72 -0.00 -1.22 -4.00 117.38 111.04 2jua n GLN 49 Ca -0.03 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.24 2jua n GLN 49 Cb 0.89 -1.62 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 2jua n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jua n GLY 50 N 1.92 -0.13 3.24 2.61 0.00 -0.02 -4.58 105.19 108.22 2jua n GLY 50 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2jua n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 51 N -1.07 0.00 0.00 -0.02 0.00 -1.26 -4.04 105.19 98.80 2jua n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jua n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 52 N -0.74 0.05 2.42 -0.02 0.00 -1.26 -5.04 105.19 100.60 2jua n GLY 52 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2jua n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jua n SER 53 N 0.00 4.87 0.02 1.61 7.64 -1.26 -4.82 113.62 121.69 2jua n SER 53 Ca 0.00 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.15 2jua n SER 53 Cb 0.00 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 62.75 2jua n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jua n GLY 54 N -0.52 -0.16 0.11 0.23 0.00 -1.26 0.22 105.19 103.81 2jua n GLY 54 Ca 0.41 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 2jua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 55 N -1.14 -0.79 0.24 -0.02 0.00 -1.26 -2.83 105.19 99.40 2jua n GLY 55 Ca -0.00 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2jua n GLY 55 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jua h LYS 56 N 0.03 0.00 0.00 1.61 1.63 0.23 -3.17 116.57 116.90 2jua h LYS 56 Ca -0.35 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 2jua h LYS 56 Cb 2.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.65 2jua h LYS 56 CO 0.08 0.11 -0.24 1.25 -3.45 0.00 0.00 179.45 177.20 2jua h LEU 57 N 0.00 0.00 0.00 5.20 6.46 -1.56 -3.23 115.31 122.17 2jua h LEU 57 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2jua h LEU 57 Cb 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2jua h LEU 57 CO 0.01 0.77 0.16 0.00 -0.62 0.00 0.00 178.44 178.77 2jua n GLN 58 N -4.67 0.00 -0.09 1.25 3.00 -1.13 -0.23 117.38 115.52 2jua n GLN 58 Ca -0.07 0.16 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 2jua n GLN 58 Cb 0.23 -1.66 -0.11 0.00 0.00 0.00 0.00 30.24 28.70 2jua n GLN 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2jua h GLU 59 N 0.00 0.00 0.00 -1.09 4.39 -1.57 -3.35 114.58 112.96 2jua h GLU 59 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jua h GLU 59 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2jua h GLU 59 CO 0.00 0.90 -0.21 0.00 -1.16 0.00 0.00 179.01 178.53 2jua h MET 60 N -1.00 0.00 -0.94 2.33 -0.00 -0.67 -3.19 114.93 111.45 2jua h MET 60 Ca -0.17 0.00 0.28 0.00 -0.00 0.00 0.00 59.70 59.81 2jua h MET 60 Cb 1.08 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.53 2jua h MET 60 CO -0.10 0.21 0.38 0.00 -0.00 0.00 0.00 176.91 177.40 2jua h MET 61 N 0.00 0.23 -0.81 -0.10 -0.00 -1.21 2.01 114.93 115.05 2jua h MET 61 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2jua h MET 61 Cb 0.96 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 32.47 2jua h MET 61 CO 0.03 0.15 0.51 0.87 -0.00 0.00 0.00 176.91 178.47 2jua h LYS 62 N 0.24 1.08 -0.22 -0.10 1.57 -1.74 0.19 116.57 117.59 2jua h LYS 62 Ca 0.64 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 59.16 2jua h LYS 62 Cb 1.41 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2jua h LYS 62 CO -0.66 0.74 -0.58 1.49 -0.57 0.00 0.00 179.45 179.87 2jua h GLU 63 N 1.10 0.70 0.34 3.15 4.81 0.24 -1.62 114.58 123.30 2jua h GLU 63 Ca 0.29 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2jua h GLU 63 Cb -0.08 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jua h GLU 63 CO -0.06 1.09 -0.19 0.35 -0.73 0.00 0.00 179.01 179.46 2jua h PHE 64 N 0.53 -0.50 0.00 0.92 3.04 0.24 -0.79 116.94 120.37 2jua h PHE 64 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2jua h PHE 64 Cb 1.17 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.85 2jua h PHE 64 CO 0.06 -0.30 0.00 0.94 -2.02 0.00 0.00 178.31 176.99 2jua n GLN 65 N -5.32 0.05 0.14 1.11 -0.06 0.59 -1.75 117.38 112.15 2jua n GLN 65 Ca -0.10 0.38 0.02 0.00 -2.00 0.00 0.00 57.00 55.30 2jua n GLN 65 Cb 0.23 -1.62 0.06 0.00 -4.06 0.00 0.00 30.24 24.85 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2jua h GLN 66 N 0.00 0.00 0.07 3.69 1.08 -0.12 -3.05 115.11 116.78 2jua h GLN 66 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 2jua h GLN 66 Cb 0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2jua h GLN 66 CO 0.00 0.54 -1.45 0.28 -0.95 0.00 0.00 178.83 177.25 2jua h VAL 67 N 0.00 0.91 -0.69 -0.54 2.07 -1.07 -3.13 116.25 113.80 2jua h VAL 67 Ca -0.01 -2.30 0.15 0.00 0.82 0.00 0.00 66.70 65.37 2jua h VAL 67 Cb 1.35 2.50 -0.12 0.00 -1.52 0.00 0.00 31.29 33.49 2jua h VAL 67 CO 0.07 0.60 -0.05 0.25 0.02 0.00 0.00 177.57 178.46 2jua h LEU 68 N -0.51 -0.40 -0.84 2.57 7.12 -1.53 0.49 115.31 122.22 2jua h LEU 68 Ca -0.34 0.18 -0.09 0.00 0.13 0.00 0.00 57.88 57.76 2jua h LEU 68 Cb 1.62 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 42.08 2jua h LEU 68 CO -0.04 -0.17 -0.44 -0.78 -0.13 0.00 0.00 178.44 176.87 2jua h ASP 69 N 0.08 0.00 0.07 1.25 1.82 -1.69 -1.56 116.42 116.38 2jua h ASP 69 Ca 0.36 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2jua h ASP 69 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 2jua h ASP 69 CO -0.63 0.44 -0.03 -0.33 -1.61 0.00 0.00 179.24 177.08 2jua h GLU 70 N 0.00 -0.09 -0.23 0.28 4.39 -0.09 -3.12 114.58 115.72 2jua h GLU 70 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jua h GLU 70 Cb 0.98 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2jua h GLU 70 CO 0.06 0.38 -0.01 0.82 -1.16 0.00 0.00 179.01 179.10 2jua h ILE 71 N -0.59 1.26 -1.23 3.13 2.04 -0.82 -2.69 117.51 118.61 2jua h ILE 71 Ca -0.01 -0.93 0.44 0.00 1.00 0.00 0.00 64.86 65.36 2jua h ILE 71 Cb 0.51 1.41 -0.15 0.00 -0.74 0.00 0.00 36.82 37.85 2jua h ILE 71 CO 0.02 0.29 0.75 0.50 0.00 0.00 0.00 178.15 179.71 2jua h LYS 72 N 0.18 0.06 -0.39 2.37 3.64 -1.33 1.56 116.57 122.66 2jua h LYS 72 Ca 0.06 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 2jua h LYS 72 Cb 0.43 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2jua h LYS 72 CO 0.01 0.04 -0.38 1.96 -2.27 0.00 0.00 179.45 178.81 2jua h GLN 73 N 0.06 0.93 -0.09 1.90 4.20 -1.41 -2.72 115.11 117.98 2jua h GLN 73 Ca 0.84 -0.49 0.03 0.00 0.06 0.00 0.00 58.65 59.09 2jua h GLN 73 Cb 2.49 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 30.28 2jua h GLN 73 CO -0.55 1.14 0.19 1.96 -0.67 0.00 0.00 178.83 180.90 2jua h GLN 74 N 0.76 0.00 -0.27 1.46 1.08 0.23 -1.92 115.11 116.45 2jua h GLN 74 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2jua h GLN 74 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2jua h GLN 74 CO 0.09 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.25 2jua n LEU 75 N -3.36 0.27 0.04 1.46 7.99 -1.02 -3.92 117.00 118.46 2jua n LEU 75 Ca -0.00 -0.14 -0.02 0.00 -0.01 0.00 0.00 56.01 55.84 2jua n LEU 75 Cb 0.28 -0.14 -0.01 0.00 -0.11 0.00 0.00 43.42 43.45 2jua n LEU 75 CO 0.22 0.07 0.48 -0.61 -1.51 0.00 0.00 177.39 176.04 2jua h GLN 76 N 0.69 -0.10 -1.40 3.23 4.15 -1.58 -3.47 115.11 116.63 2jua h GLN 76 Ca 0.00 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.56 2jua h GLN 76 Cb 0.14 0.02 -0.23 0.00 0.21 0.00 0.00 27.48 27.62 2jua h GLN 76 CO 0.00 -0.07 0.12 0.20 -1.93 0.00 0.00 178.83 177.15 2jua s GLY 77 N -1.11 -0.36 0.00 2.39 0.00 -1.25 -4.94 107.32 102.04 2jua s GLY 77 Ca -0.01 2.81 0.00 0.00 0.00 0.00 0.00 44.72 47.52 2jua s GLY 77 CO 0.04 3.10 0.00 0.61 0.00 0.00 0.00 173.10 176.85 2jua n GLY 78 N 4.99 1.69 0.88 0.20 0.00 -1.26 -4.61 105.19 107.09 2jua n GLY 78 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.92 2jua n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jua n ASP 79 N 0.00 2.27 0.00 1.61 9.92 -1.26 -4.71 116.55 124.38 2jua n ASP 79 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 2jua n ASP 79 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 2jua n ASP 79 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2jua n ASN 80 N -1.11 0.00 0.11 -2.24 2.04 -1.26 0.98 115.26 113.78 2jua n ASN 80 Ca 0.27 0.14 -0.23 0.00 -0.44 0.00 0.00 54.58 54.31 2jua n ASN 80 Cb 0.88 -0.14 -0.15 0.00 -2.53 0.00 0.00 39.78 37.84 2jua n ASN 80 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2jua h SER 81 N 0.00 0.70 -1.00 0.53 0.02 -1.85 -3.23 113.55 108.73 2jua h SER 81 Ca 0.00 -0.93 0.04 0.00 -0.84 0.00 0.00 61.79 60.06 2jua h SER 81 Cb 0.21 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2jua h SER 81 CO 0.00 1.64 0.65 -0.07 -1.14 0.00 0.00 176.83 177.91 2jua h LEU 82 N -0.02 1.09 -1.41 5.07 4.07 0.43 0.21 115.31 124.75 2jua h LEU 82 Ca -0.24 -0.01 0.25 0.00 0.08 0.00 0.00 57.88 57.95 2jua h LEU 82 Cb 2.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 43.46 2jua h LEU 82 CO 0.22 0.74 0.96 -0.74 -1.08 0.00 0.00 178.44 178.55 2jua h HIS 83 N 1.26 0.00 0.02 1.13 2.76 -1.56 4.16 115.15 122.93 2jua h HIS 83 Ca 0.40 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.21 2jua h HIS 83 Cb -0.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2jua h HIS 83 CO -0.00 0.00 -2.16 0.09 -1.30 0.00 0.00 177.93 174.56 2jua n ASN 84 N -3.43 1.03 -0.09 3.26 4.13 0.69 -3.90 115.26 116.95 2jua n ASN 84 Ca 0.18 0.12 -0.23 0.00 1.68 0.00 0.00 54.58 56.33 2jua n ASN 84 Cb 1.23 0.09 -0.12 0.00 -1.54 0.00 0.00 39.78 39.44 2jua n ASN 84 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2jua n VAL 85 N -3.07 1.59 -0.07 2.41 0.31 0.38 -4.05 118.33 115.83 2jua n VAL 85 Ca -0.31 -0.31 0.24 0.00 -0.01 0.00 0.00 64.34 63.95 2jua n VAL 85 Cb 1.07 -1.87 0.71 0.00 -0.91 0.00 0.00 33.84 32.84 2jua n VAL 85 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2jua h HIS 86 N -0.66 0.00 0.00 3.52 -0.00 0.72 1.14 115.15 119.87 2jua h HIS 86 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2jua h HIS 86 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 2jua h HIS 86 CO 0.04 0.00 0.00 1.49 -0.00 0.00 0.00 177.93 179.46 2jua h GLU 87 N 0.00 0.00 0.08 5.26 4.81 -1.66 -3.16 114.58 119.91 2jua h GLU 87 Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2jua h GLU 87 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jua h GLU 87 CO -0.00 0.00 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.33 2jua h ASN 88 N 0.00 -0.09 -0.67 1.04 4.21 0.12 -3.26 115.58 116.93 2jua h ASN 88 Ca 0.00 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.62 2jua h ASN 88 Cb 0.18 0.02 -0.11 0.00 -1.12 0.00 0.00 38.32 37.29 2jua h ASN 88 CO 0.00 -0.00 -0.26 -0.38 -1.29 0.00 0.00 177.43 175.49 2jua n ILE 89 N -2.64 -0.35 -0.32 2.81 5.41 -1.19 0.23 119.36 123.31 2jua n ILE 89 Ca -0.01 1.56 0.10 0.00 1.00 0.00 0.00 62.75 65.40 2jua n ILE 89 Cb 0.04 -2.06 0.23 0.00 -0.71 0.00 0.00 39.64 37.14 2jua n ILE 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jua h LYS 90 N 0.00 0.05 0.09 0.38 1.63 -1.64 1.70 116.57 118.77 2jua h LYS 90 Ca 0.23 -0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.68 2jua h LYS 90 Cb 0.40 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 2jua h LYS 90 CO -0.66 0.03 -1.95 0.39 -3.45 0.00 0.00 179.45 173.81 2jua n GLU 91 N -5.45 0.71 0.05 1.90 1.02 0.62 -3.24 120.64 116.24 2jua n GLU 91 Ca 0.19 0.30 -0.11 0.00 -0.02 0.00 0.00 57.16 57.52 2jua n GLU 91 Cb 0.63 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 2jua n GLU 91 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jua h ILE 92 N -0.16 0.83 -0.72 -3.67 1.08 0.31 0.49 117.51 115.66 2jua h ILE 92 Ca -0.44 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 2jua h ILE 92 Cb 1.88 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 2jua h ILE 92 CO -0.00 0.00 0.31 0.15 -0.69 0.00 0.00 178.15 177.92 2jua h PHE 93 N -0.12 1.07 -0.02 1.37 3.57 0.24 -1.39 116.94 121.66 2jua h PHE 93 Ca 0.03 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2jua h PHE 93 Cb 0.15 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2jua h PHE 93 CO -0.14 0.81 0.00 1.58 -2.23 0.00 0.00 178.31 178.33 2jua n HIS 94 N -4.39 0.02 0.01 0.41 -0.00 -1.00 -3.32 115.22 106.95 2jua n HIS 94 Ca 0.06 -0.01 -0.07 0.00 0.46 0.00 0.00 57.72 58.16 2jua n HIS 94 Cb 0.16 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.90 2jua n HIS 94 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jua h HIS 95 N 0.78 0.00 0.13 1.57 3.86 0.11 -3.34 115.15 118.27 2jua h HIS 95 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2jua h HIS 95 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jua h HIS 95 CO 0.01 0.93 -0.06 1.25 0.86 0.00 0.00 177.93 180.92 2jua h LEU 96 N 0.00 -0.15 0.00 2.43 6.46 -1.53 -2.72 115.31 119.80 2jua h LEU 96 Ca -0.19 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 2jua h LEU 96 Cb 1.88 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.85 2jua h LEU 96 CO 0.09 0.44 0.17 1.21 -0.62 0.00 0.00 178.44 179.72 2jua n GLU 97 N -4.88 0.00 0.02 1.25 2.13 -1.25 0.10 120.64 118.01 2jua n GLU 97 Ca -0.07 0.17 -0.20 0.00 0.66 0.00 0.00 57.16 57.71 2jua n GLU 97 Cb 0.26 -1.67 -0.14 0.00 0.27 0.00 0.00 31.44 30.16 2jua n GLU 97 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jua h GLU 98 N 0.00 0.27 0.00 5.31 4.57 -1.60 -2.11 114.58 121.01 2jua h GLU 98 Ca 0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2jua h GLU 98 Cb 0.33 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2jua h GLU 98 CO 0.00 1.17 0.00 1.28 -1.18 0.00 0.00 179.01 180.28 2jua n LEU 99 N -3.46 0.00 -0.01 1.64 4.77 0.29 -2.38 117.00 117.84 2jua n LEU 99 Ca -0.29 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2jua n LEU 99 Cb 1.05 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 2jua n LEU 99 CO 0.45 -0.05 -0.57 1.33 -1.33 0.00 0.00 177.39 177.23 2jua n VAL 100 N -1.10 0.10 0.55 4.08 0.24 -1.16 -4.57 118.33 116.48 2jua n VAL 100 Ca 0.10 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jua n VAL 100 Cb 0.08 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2jua n VAL 100 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2jua n HIS 101 N -1.86 0.00 -0.60 6.34 -0.00 -0.80 -4.98 115.22 113.33 2jua n HIS 101 Ca -0.03 -0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2jua n HIS 101 Cb 0.34 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2jua n HIS 101 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34