#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 4.01 -1.26 -4.91 117.16 116.12 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jua n TYR 2 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jua n GLY 3 N -0.81 1.29 0.27 2.72 0.00 -1.26 -4.99 105.19 102.41 2jua n GLY 3 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.35 0.80 -0.89 1.61 1.57 -2.01 -2.56 116.57 115.43 2jua h LYS 4 Ca 0.00 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.85 2jua h LYS 4 Cb 0.00 -0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.00 2jua h LYS 4 CO 0.00 0.53 -0.40 1.28 -0.57 0.00 0.00 179.45 180.29 2jua n LEU 5 N -4.69 -0.69 -0.35 2.94 7.99 -1.26 0.37 117.00 121.31 2jua n LEU 5 Ca 0.07 1.57 0.30 0.00 -0.01 0.00 0.00 56.01 57.94 2jua n LEU 5 Cb 0.10 -0.31 0.56 0.00 -0.11 0.00 0.00 43.42 43.66 2jua n LEU 5 CO 0.33 -1.37 1.12 0.78 -1.51 0.00 0.00 177.39 176.74 2jua h ASN 6 N 0.00 0.37 -0.28 -1.43 -0.26 -1.83 4.65 115.58 116.80 2jua h ASN 6 Ca 0.26 0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 56.16 2jua h ASN 6 Cb 0.48 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.92 2jua h ASN 6 CO -0.87 -0.28 0.05 -0.78 -1.06 0.00 0.00 177.43 174.49 2jua h ASP 7 N 0.13 0.52 0.17 5.81 1.82 0.66 1.29 116.42 126.81 2jua h ASP 7 Ca 0.80 -0.09 -0.22 0.00 -0.39 0.00 0.00 57.03 57.14 2jua h ASP 7 Cb 2.13 -0.13 0.02 0.00 0.68 0.00 0.00 39.33 42.03 2jua h ASP 7 CO -0.64 0.56 -0.97 -0.07 -1.61 0.00 0.00 179.24 176.51 2jua h LEU 8 N 0.54 0.55 0.61 2.28 -0.00 0.90 -2.83 115.31 117.37 2jua h LEU 8 Ca 0.12 -0.95 -0.03 0.00 -0.00 0.00 0.00 57.88 57.02 2jua h LEU 8 Cb 0.28 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2jua h LEU 8 CO 0.00 1.47 -0.30 0.25 -0.00 0.00 0.00 178.44 179.87 2jua h LEU 9 N -0.26 -0.70 -2.00 1.67 6.46 0.21 0.71 115.31 121.40 2jua h LEU 9 Ca -0.17 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 57.78 2jua h LEU 9 Cb 1.76 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.85 2jua h LEU 9 CO 0.18 -0.36 0.40 -0.08 -0.62 0.00 0.00 178.44 177.96 2jua h GLU 10 N -1.11 0.00 0.12 1.25 4.81 0.15 0.22 114.58 120.01 2jua h GLU 10 Ca -0.08 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.92 2jua h GLU 10 Cb 0.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.02 2jua h GLU 10 CO 0.14 0.00 -1.07 -0.44 -0.73 0.00 0.00 179.01 176.91 2jua h ASP 11 N 0.00 0.39 -0.27 1.04 5.19 -1.38 -2.77 116.42 118.62 2jua h ASP 11 Ca 0.27 -0.89 -0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2jua h ASP 11 Cb 1.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2jua h ASP 11 CO -0.00 1.48 0.15 0.25 -3.12 0.00 0.00 179.24 178.00 2jua h LEU 12 N -0.39 0.34 -0.69 1.55 5.85 0.14 -0.72 115.31 121.38 2jua h LEU 12 Ca -0.22 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jua h LEU 12 Cb 1.66 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2jua h LEU 12 CO 0.09 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 2jua n GLN 13 N -4.84 0.20 -0.04 1.25 10.64 0.67 -3.21 117.38 122.04 2jua n GLN 13 Ca -0.02 0.42 -0.06 0.00 -1.83 0.00 0.00 57.00 55.51 2jua n GLN 13 Cb 0.07 -1.88 -0.05 0.00 -0.86 0.00 0.00 30.24 27.52 2jua n GLN 13 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2jua h GLU 14 N 0.00 -0.03 -1.57 2.61 4.22 -0.86 -3.06 114.58 115.89 2jua h GLU 14 Ca 0.00 0.00 0.46 0.00 0.08 0.00 0.00 59.36 59.90 2jua h GLU 14 Cb 0.38 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2jua h GLU 14 CO 0.00 0.33 1.12 -0.39 -2.18 0.00 0.00 179.01 177.90 2jua h VAL 15 N -1.00 0.21 -0.15 0.32 -1.51 -1.26 3.84 116.25 116.71 2jua h VAL 15 Ca -0.00 -0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 2jua h VAL 15 Cb 0.37 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 2jua h VAL 15 CO 0.00 0.00 -0.38 0.25 -1.23 0.00 0.00 177.57 176.22 2jua h LEU 16 N 0.01 0.33 -0.52 4.19 5.85 -1.53 -2.82 115.31 120.82 2jua h LEU 16 Ca 0.76 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 59.28 2jua h LEU 16 Cb 2.99 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 43.90 2jua h LEU 16 CO -0.03 0.69 0.07 0.50 -0.34 0.00 0.00 178.44 179.32 2jua h LYS 17 N 0.27 0.87 0.63 1.25 3.64 0.74 -2.91 116.57 121.07 2jua h LYS 17 Ca 0.03 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2jua h LYS 17 Cb 0.80 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2jua h LYS 17 CO 0.06 0.87 -0.30 0.45 -2.27 0.00 0.00 179.45 178.26 2jua h HIS 18 N 0.75 -0.79 -0.81 1.91 3.86 -1.32 -3.05 115.15 115.71 2jua h HIS 18 Ca 0.16 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.51 2jua h HIS 18 Cb 0.43 0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.00 2jua h HIS 18 CO 0.03 -0.45 -0.21 0.28 0.86 0.00 0.00 177.93 178.44 2jua h VAL 19 N -0.97 0.19 -1.00 2.45 2.07 -1.51 0.40 116.25 117.87 2jua h VAL 19 Ca -0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.59 2jua h VAL 19 Cb 0.69 0.19 -0.17 0.00 -1.52 0.00 0.00 31.29 30.48 2jua h VAL 19 CO 0.14 0.00 -0.37 0.59 0.02 0.00 0.00 177.57 177.95 2jua n ASN 20 N -5.53 -0.60 -0.93 0.57 5.03 -1.10 0.40 115.26 113.10 2jua n ASN 20 Ca 0.11 1.74 0.08 0.00 0.87 0.00 0.00 54.58 57.39 2jua n ASN 20 Cb 0.41 -0.42 0.23 0.00 -1.02 0.00 0.00 39.78 38.98 2jua n ASN 20 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2jua n GLN 21 N -5.50 2.17 -0.38 3.52 -0.06 0.42 -3.97 117.38 113.58 2jua n GLN 21 Ca 0.11 -1.81 0.00 0.00 -2.00 0.00 0.00 57.00 53.30 2jua n GLN 21 Cb 0.42 -1.40 0.01 0.00 -4.06 0.00 0.00 30.24 25.21 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2jua n HIS 22 N 0.98 0.00 -3.24 3.69 8.25 0.68 -5.08 115.22 120.50 2jua n HIS 22 Ca 0.17 -0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 2jua n HIS 22 Cb 0.43 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.14 3.40 0.00 4.41 -0.11 1.32 -4.32 118.94 123.49 2jua s TRP 23 Ca 0.01 1.07 0.00 0.00 1.22 0.00 0.00 56.10 58.41 2jua s TRP 23 Cb 0.01 -2.42 0.00 0.00 -1.50 0.00 0.00 33.47 29.56 2jua s TRP 23 CO 0.00 0.16 0.00 1.04 -4.62 0.00 0.00 176.95 173.53 2jua n GLN 24 N -0.31 0.00 0.00 5.86 6.02 -1.26 -4.96 117.38 122.72 2jua n GLN 24 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2jua n GLN 24 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jua n GLY 25 N 0.00 1.46 2.62 1.08 0.00 -1.26 -4.35 105.19 104.73 2jua n GLY 25 Ca 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 2jua n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jua s GLY 26 N 0.00 0.30 0.00 -0.02 0.00 -1.26 -4.97 107.32 101.37 2jua s GLY 26 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2jua s GLY 26 CO 0.00 2.05 0.14 -0.18 0.00 0.00 0.00 173.10 175.10 2jua n GLN 27 N 5.28 0.17 0.00 2.90 7.27 -1.26 -2.01 117.38 129.73 2jua n GLN 27 Ca -0.06 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.90 2jua n GLN 27 Cb 0.46 -1.04 -0.14 0.00 2.41 0.00 0.00 30.24 31.93 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 0.37 0.07 0.14 3.69 2.10 -1.93 -3.37 116.57 117.65 2jua h LYS 28 Ca 0.00 -0.13 -0.31 0.00 -2.00 0.00 0.00 60.65 58.21 2jua h LYS 28 Cb 0.04 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2jua h LYS 28 CO 0.00 0.73 -1.53 -0.91 -2.00 0.00 0.00 179.45 175.74 2jua h ASN 29 N 0.02 0.46 -1.48 7.07 2.35 -1.81 -3.22 115.58 118.97 2jua h ASN 29 Ca -0.28 -0.61 0.46 0.00 -0.55 0.00 0.00 56.30 55.32 2jua h ASN 29 Cb 1.99 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 40.13 2jua h ASN 29 CO 0.10 1.51 1.03 0.80 -1.65 0.00 0.00 177.43 179.21 2jua n MET 30 N -3.50 -0.01 -0.11 0.81 0.00 -1.25 0.71 117.12 113.77 2jua n MET 30 Ca -0.17 0.98 -0.24 0.00 -0.00 0.00 0.00 57.70 58.27 2jua n MET 30 Cb 1.05 -2.11 -0.11 0.00 0.00 0.00 0.00 33.22 32.04 2jua n MET 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2jua n ASN 31 N -3.93 1.90 -0.31 6.12 5.03 -1.24 -2.74 115.26 120.09 2jua n ASN 31 Ca 0.36 0.38 0.15 0.00 0.87 0.00 0.00 54.58 56.34 2jua n ASN 31 Cb 1.57 -0.91 0.40 0.00 -1.02 0.00 0.00 39.78 39.82 2jua n ASN 31 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2jua h LYS 32 N -0.91 0.61 -0.03 3.52 1.79 -0.04 -0.43 116.57 121.07 2jua h LYS 32 Ca -0.45 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 57.94 2jua h LYS 32 Cb 1.45 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2jua h LYS 32 CO -0.25 0.40 -0.14 -0.39 -1.08 0.00 0.00 179.45 177.99 2jua h VAL 33 N 0.62 1.49 -1.51 0.50 -1.51 0.13 -2.94 116.25 113.03 2jua h VAL 33 Ca 0.52 -1.66 0.44 0.00 -1.23 0.00 0.00 66.70 64.77 2jua h VAL 33 Cb 0.99 2.51 -0.06 0.00 -2.13 0.00 0.00 31.29 32.60 2jua h VAL 33 CO -0.28 0.45 1.28 -0.78 -1.23 0.00 0.00 177.57 177.02 2jua h ASP 34 N -0.46 0.00 0.60 4.19 3.58 -0.89 3.47 116.42 126.90 2jua h ASP 34 Ca -0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.16 2jua h ASP 34 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 2jua h ASP 34 CO 0.03 0.00 -1.35 -0.74 -2.88 0.00 0.00 179.24 174.30 2jua h HIS 35 N 0.00 0.41 -0.72 0.28 2.76 -1.29 -1.98 115.15 114.60 2jua h HIS 35 Ca 0.72 -0.30 0.01 0.00 -2.20 0.00 0.00 60.37 58.60 2jua h HIS 35 Cb 3.28 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 32.19 2jua h HIS 35 CO 0.00 1.28 0.48 0.45 -1.30 0.00 0.00 177.93 178.84 2jua h HIS 36 N 0.06 0.91 0.08 5.26 3.86 0.65 -2.19 115.15 123.78 2jua h HIS 36 Ca -0.17 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2jua h HIS 36 Cb 1.97 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 30.13 2jua h HIS 36 CO 0.05 0.57 -0.04 -0.07 0.86 0.00 0.00 177.93 179.31 2jua h LEU 37 N 0.98 -0.09 -0.89 2.43 4.07 -1.42 -2.80 115.31 117.59 2jua h LEU 37 Ca 0.27 -0.50 0.19 0.00 0.08 0.00 0.00 57.88 57.91 2jua h LEU 37 Cb -0.11 0.02 -0.17 0.00 1.08 0.00 0.00 40.66 41.49 2jua h LEU 37 CO -0.06 0.59 -0.20 0.00 -1.08 0.00 0.00 178.44 177.69 2jua n GLN 38 N -4.80 -0.08 0.20 1.13 6.02 -0.75 0.40 117.38 119.50 2jua n GLN 38 Ca -0.07 1.39 0.04 0.00 -0.01 0.00 0.00 57.00 58.34 2jua n GLN 38 Cb 0.29 -2.08 0.40 0.00 1.02 0.00 0.00 30.24 29.87 2jua n GLN 38 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2jua h ASN 39 N 0.00 0.00 0.00 1.08 4.21 -1.45 -2.28 115.58 117.14 2jua h ASN 39 Ca 0.44 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.93 2jua h ASN 39 Cb 0.70 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2jua h ASN 39 CO -0.91 0.33 -0.39 0.58 -1.29 0.00 0.00 177.43 175.75 2jua h VAL 40 N 0.00 0.15 -1.06 2.81 2.07 0.80 -3.21 116.25 117.82 2jua h VAL 40 Ca -0.00 -1.16 0.37 0.00 0.82 0.00 0.00 66.70 66.73 2jua h VAL 40 Cb 0.60 0.33 -0.15 0.00 -1.52 0.00 0.00 31.29 30.55 2jua h VAL 40 CO 0.04 0.05 0.61 0.40 0.02 0.00 0.00 177.57 178.70 2jua h ILE 41 N -1.00 0.18 -0.12 4.57 2.04 0.26 3.34 117.51 126.78 2jua h ILE 41 Ca -0.03 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2jua h ILE 41 Cb 0.43 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2jua h ILE 41 CO -0.02 0.03 -0.12 -0.08 0.00 0.00 0.00 178.15 177.97 2jua h GLU 42 N 0.19 0.19 0.34 2.37 4.22 -1.53 -2.36 114.58 117.99 2jua h GLU 42 Ca 0.78 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 60.17 2jua h GLU 42 Cb 2.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2jua h GLU 42 CO -0.62 0.32 -0.16 0.22 -2.18 0.00 0.00 179.01 176.59 2jua h ASP 43 N 0.18 -0.38 -0.17 1.04 1.82 0.62 -1.63 116.42 117.90 2jua h ASP 43 Ca 0.04 -0.11 0.05 0.00 -0.39 0.00 0.00 57.03 56.62 2jua h ASP 43 Cb 0.33 0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.37 2jua h ASP 43 CO 0.02 -0.11 -0.30 0.40 -1.61 0.00 0.00 179.24 177.63 2jua h ILE 44 N -0.66 0.31 -0.69 2.25 2.04 -1.18 0.76 117.51 120.34 2jua h ILE 44 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.01 2jua h ILE 44 Cb 0.47 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jua h ILE 44 CO 0.08 0.00 0.57 -0.74 0.00 0.00 0.00 178.15 178.05 2jua h HIS 45 N -0.36 0.00 -0.00 1.37 2.76 -1.36 1.88 115.15 119.45 2jua h HIS 45 Ca 0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2jua h HIS 45 Cb 0.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jua h HIS 45 CO -0.41 0.00 -0.25 -3.47 -1.30 0.00 0.00 177.93 172.50 2jua n ASP 46 N -4.04 0.26 0.01 3.26 2.03 0.24 -3.27 116.55 115.05 2jua n ASP 46 Ca 0.14 0.10 0.13 0.00 0.52 0.00 0.00 54.79 55.68 2jua n ASP 46 Cb 0.82 -0.12 0.41 0.00 -0.72 0.00 0.00 41.12 41.52 2jua n ASP 46 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jua n PHE 47 N -1.49 0.12 0.03 -0.67 7.35 0.64 -0.53 117.46 122.91 2jua n PHE 47 Ca 0.06 0.04 0.03 0.00 -0.76 0.00 0.00 57.45 56.82 2jua n PHE 47 Cb 0.34 -0.45 -0.09 0.00 0.35 0.00 0.00 39.48 39.63 2jua n PHE 47 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 2jua n MET 48 N -1.61 0.63 -0.08 -4.13 0.00 -1.12 -4.41 117.12 106.40 2jua n MET 48 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 57.70 57.76 2jua n MET 48 Cb 0.35 -1.73 -0.09 0.00 0.00 0.00 0.00 33.22 31.75 2jua n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jua n GLN 49 N -2.71 0.97 0.00 0.03 -0.00 -1.22 -4.33 117.38 110.12 2jua n GLN 49 Ca -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 2jua n GLN 49 Cb 0.76 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 29.65 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 2.45 -0.09 4.49 2.61 0.00 0.31 -4.64 105.19 110.32 2jua n GLY 50 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.93 1.30 0.00 -0.02 0.00 -1.26 -3.90 105.19 100.38 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 -0.09 -1.31 2.73 -0.02 0.00 -1.26 -5.05 105.19 100.19 2jua n GLY 52 Ca 0.00 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 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 7.28 0.07 1.61 7.64 -1.25 -4.72 113.62 124.24 2jua n SER 53 Ca 0.00 -3.59 0.01 0.00 1.01 0.00 0.00 58.87 56.30 2jua n SER 53 Cb 0.00 -1.15 0.05 0.00 -1.01 0.00 0.00 64.21 62.10 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 0.09 -0.21 0.11 0.23 0.00 -1.26 0.22 105.19 104.38 2jua n GLY 54 Ca 0.52 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.16 -0.75 0.16 -0.02 0.00 -1.26 -3.06 105.19 99.09 2jua n GLY 55 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.04 0.00 0.18 1.61 1.63 0.22 -3.24 116.57 117.02 2jua h LYS 56 Ca -0.36 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.43 2jua h LYS 56 Cb 2.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.66 2jua h LYS 56 CO 0.09 0.38 -0.09 1.25 -3.45 0.00 0.00 179.45 177.63 2jua h LEU 57 N 0.00 -0.21 -0.56 5.20 6.46 -1.43 -3.05 115.31 121.73 2jua h LEU 57 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2jua h LEU 57 Cb 1.26 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 2jua h LEU 57 CO 0.05 0.27 0.54 1.56 -0.62 0.00 0.00 178.44 180.23 2jua h GLN 58 N -1.06 0.00 0.46 1.25 1.08 -1.66 0.21 115.11 115.39 2jua h GLN 58 Ca -0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2jua h GLN 58 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2jua h GLN 58 CO 0.04 0.00 -0.22 1.49 -0.95 0.00 0.00 178.83 179.19 2jua h GLU 59 N 0.00 -0.60 -0.01 1.46 4.22 -1.55 -3.15 114.58 114.95 2jua h GLU 59 Ca 0.00 0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 2jua h GLU 59 Cb 1.08 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jua h GLU 59 CO 0.00 -0.31 -0.42 0.00 -2.18 0.00 0.00 179.01 176.10 2jua h MET 60 N -1.05 0.01 -0.97 1.92 -0.00 -0.70 -3.02 114.93 111.13 2jua h MET 60 Ca -0.06 -0.01 0.27 0.00 -0.00 0.00 0.00 59.70 59.90 2jua h MET 60 Cb 0.57 -0.00 -0.18 0.00 -0.00 0.00 0.00 31.60 31.99 2jua h MET 60 CO 0.10 0.43 0.03 -0.12 -0.00 0.00 0.00 176.91 177.35 2jua n MET 61 N -4.04 -0.08 -0.14 -0.10 0.00 -0.56 0.26 117.12 112.46 2jua n MET 61 Ca -0.02 1.44 -0.09 0.00 -0.00 0.00 0.00 57.70 59.04 2jua n MET 61 Cb 0.45 -2.30 0.06 0.00 0.00 0.00 0.00 33.22 31.42 2jua n MET 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 2jua h LYS 62 N 0.00 0.91 0.00 2.12 2.10 -1.59 -1.67 116.57 118.44 2jua h LYS 62 Ca 0.59 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 2jua h LYS 62 Cb 1.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2jua h LYS 62 CO -0.91 0.99 0.00 1.49 -2.00 0.00 0.00 179.45 179.03 2jua h GLU 63 N 0.80 0.00 0.01 0.07 4.57 0.35 -3.06 114.58 117.32 2jua h GLU 63 Ca 0.12 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2jua h GLU 63 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2jua h GLU 63 CO 0.05 0.00 -0.00 0.35 -1.18 0.00 0.00 179.01 178.23 2jua h PHE 64 N 0.00 -0.01 0.00 0.92 3.04 0.18 -3.02 116.94 118.05 2jua h PHE 64 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jua h PHE 64 Cb 0.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.01 2jua h PHE 64 CO 0.00 0.75 0.02 0.94 -2.02 0.00 0.00 178.31 177.99 2jua n GLN 65 N -4.73 0.00 0.04 1.11 -0.06 -0.96 -1.23 117.38 111.56 2jua n GLN 65 Ca -0.09 0.40 -0.19 0.00 -2.00 0.00 0.00 57.00 55.12 2jua n GLN 65 Cb 0.37 -1.52 -0.14 0.00 -4.06 0.00 0.00 30.24 24.90 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 0.32 -0.36 3.69 1.08 -1.52 -2.90 115.11 115.42 2jua h GLN 66 Ca 0.00 -0.48 -0.10 0.00 -1.45 0.00 0.00 58.65 56.62 2jua h GLN 66 Cb 0.03 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2jua h GLN 66 CO 0.00 1.20 -0.17 0.28 -0.95 0.00 0.00 178.83 179.19 2jua h VAL 67 N -0.32 1.28 -0.97 -0.54 2.07 -1.23 0.12 116.25 116.66 2jua h VAL 67 Ca -0.12 -1.29 0.15 0.00 0.82 0.00 0.00 66.70 66.27 2jua h VAL 67 Cb 1.54 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.56 2jua h VAL 67 CO 0.14 0.42 0.58 0.25 0.02 0.00 0.00 177.57 178.98 2jua h LEU 68 N 0.54 0.78 0.00 2.57 7.12 -1.53 0.22 115.31 125.01 2jua h LEU 68 Ca 0.08 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2jua h LEU 68 Cb 0.71 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2jua h LEU 68 CO 0.05 0.34 -0.56 -0.67 -0.13 0.00 0.00 178.44 177.47 2jua n ASP 69 N -4.74 0.61 0.00 1.25 2.03 -1.07 -3.38 116.55 111.25 2jua n ASP 69 Ca 0.20 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2jua n ASP 69 Cb 0.46 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2jua n ASP 69 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jua n GLU 70 N -1.92 0.00 -0.33 -0.67 2.13 0.64 -3.64 120.64 116.86 2jua n GLU 70 Ca 0.04 0.45 0.15 0.00 0.66 0.00 0.00 57.16 58.46 2jua n GLU 70 Cb 0.41 -0.95 0.38 0.00 0.27 0.00 0.00 31.44 31.55 2jua n GLU 70 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2jua h ILE 71 N 0.00 0.69 -1.19 6.31 2.04 -1.44 0.47 117.51 124.40 2jua h ILE 71 Ca 0.00 -0.23 0.34 0.00 1.00 0.00 0.00 64.86 65.98 2jua h ILE 71 Cb 0.00 -0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 35.95 2jua h ILE 71 CO 0.00 0.12 0.79 0.50 0.00 0.00 0.00 178.15 179.56 2jua h LYS 72 N 0.67 0.21 -0.25 2.37 3.64 -1.69 1.21 116.57 122.72 2jua h LYS 72 Ca 0.55 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.75 2jua h LYS 72 Cb 0.99 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2jua h LYS 72 CO -0.32 0.14 -0.53 0.37 -2.27 0.00 0.00 179.45 176.84 2jua h GLN 73 N 0.21 0.72 -0.18 1.90 4.15 -0.11 -2.75 115.11 119.05 2jua h GLN 73 Ca 0.67 -0.44 0.05 0.00 0.77 0.00 0.00 58.65 59.70 2jua h GLN 73 Cb 2.06 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.79 2jua h GLN 73 CO -0.27 1.06 0.27 0.37 -1.93 0.00 0.00 178.83 178.33 2jua h GLN 74 N 0.56 0.00 0.00 1.69 5.75 0.15 0.46 115.11 123.72 2jua h GLN 74 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2jua h GLN 74 Cb 1.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.65 2jua h GLN 74 CO 0.11 0.00 0.00 1.28 -2.65 0.00 0.00 178.83 177.57 2jua n LEU 75 N -3.52 0.00 -2.72 -2.39 7.99 -1.04 -3.53 117.00 111.79 2jua n LEU 75 Ca 0.02 0.06 -0.28 0.00 -0.01 0.00 0.00 56.01 55.80 2jua n LEU 75 Cb 0.38 -0.06 -0.08 0.00 -0.11 0.00 0.00 43.42 43.56 2jua n LEU 75 CO 0.24 -0.05 2.17 0.00 -1.51 0.00 0.00 177.39 178.23 2jua n GLN 76 N -1.06 3.02 0.00 3.23 3.00 0.15 -4.77 117.38 120.95 2jua n GLN 76 Ca 0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 2jua n GLN 76 Cb 0.01 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 27.91 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jua n GLY 77 N 2.14 1.61 0.76 1.08 0.00 -1.23 -4.86 105.19 104.69 2jua n GLY 77 Ca 0.57 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.62 2jua n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 78 N 0.00 0.80 1.28 -0.02 0.00 -1.26 -4.41 105.19 101.58 2jua n GLY 78 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.71 1.05 0.00 1.61 9.92 -1.26 -4.19 116.55 124.38 2jua n ASP 79 Ca 0.17 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 2jua n ASP 79 Cb 0.41 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jua n ASN 80 N 1.19 0.00 -0.01 -2.24 3.02 -1.26 0.17 115.26 116.12 2jua n ASN 80 Ca 0.00 0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.43 2jua n ASN 80 Cb 0.14 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2jua h SER 81 N 0.00 0.30 -0.89 6.41 0.87 -1.85 -3.26 113.55 115.12 2jua h SER 81 Ca 0.00 -0.85 0.16 0.00 -1.23 0.00 0.00 61.79 59.87 2jua h SER 81 Cb 0.11 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 2jua h SER 81 CO 0.00 1.47 0.58 -0.07 -0.53 0.00 0.00 176.83 178.28 2jua h LEU 82 N -0.50 0.59 -1.38 2.23 4.07 -0.47 0.73 115.31 120.58 2jua h LEU 82 Ca -0.24 0.04 0.22 0.00 0.08 0.00 0.00 57.88 57.99 2jua h LEU 82 Cb 1.57 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.21 2jua h LEU 82 CO 0.03 0.28 0.92 -0.74 -1.08 0.00 0.00 178.44 177.85 2jua h HIS 83 N 0.62 0.00 0.00 1.13 2.76 -1.59 3.68 115.15 121.75 2jua h HIS 83 Ca 0.46 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.46 2jua h HIS 83 Cb 0.84 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 2jua h HIS 83 CO -0.00 0.00 -1.80 0.27 -1.30 0.00 0.00 177.93 175.10 2jua n ASN 84 N -3.37 0.41 -0.14 3.26 6.94 0.25 -4.07 115.26 118.54 2jua n ASN 84 Ca 0.16 0.18 -0.28 0.00 -0.02 0.00 0.00 54.58 54.62 2jua n ASN 84 Cb 1.17 0.88 -0.10 0.00 -2.36 0.00 0.00 39.78 39.36 2jua n ASN 84 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2jua n VAL 85 N -2.67 1.53 0.33 3.53 0.31 0.69 -3.87 118.33 118.17 2jua n VAL 85 Ca -0.14 -0.41 0.10 0.00 -0.01 0.00 0.00 64.34 63.88 2jua n VAL 85 Cb 0.84 -1.82 0.53 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.86 0.00 0.00 3.52 -0.00 0.56 2.68 115.15 121.06 2jua h HIS 86 Ca -0.68 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.63 2jua h HIS 86 Cb 1.65 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.05 2jua h HIS 86 CO -0.07 0.00 -1.02 1.05 -0.00 0.00 0.00 177.93 177.89 2jua h GLU 87 N 0.00 0.00 0.17 5.26 4.11 -1.71 -3.37 114.58 119.04 2jua h GLU 87 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2jua h GLU 87 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2jua h GLU 87 CO 0.00 0.11 -0.08 -2.95 0.07 0.00 0.00 179.01 176.16 2jua h ASN 88 N 0.00 -0.19 -0.85 3.06 7.08 0.46 -3.23 115.58 121.91 2jua h ASN 88 Ca -0.05 -0.32 0.15 0.00 -3.08 0.00 0.00 56.30 53.00 2jua h ASN 88 Cb 1.20 0.05 -0.15 0.00 -2.08 0.00 0.00 38.32 37.34 2jua h ASN 88 CO 0.02 0.26 -0.33 0.40 -2.08 0.00 0.00 177.43 175.70 2jua h ILE 89 N -0.69 0.08 -0.78 6.14 1.08 -1.66 1.05 117.51 122.73 2jua h ILE 89 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 2jua h ILE 89 Cb 0.49 0.08 -0.12 0.00 -3.07 0.00 0.00 36.82 34.21 2jua h ILE 89 CO 0.04 0.00 -0.51 0.50 -0.69 0.00 0.00 178.15 177.49 2jua h LYS 90 N -0.05 -0.13 -0.02 2.37 3.64 -1.72 1.84 116.57 122.51 2jua h LYS 90 Ca 0.34 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 2jua h LYS 90 Cb 0.60 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2jua h LYS 90 CO -0.88 -0.08 -0.17 0.93 -2.27 0.00 0.00 179.45 176.97 2jua h GLU 91 N -0.13 0.16 0.35 1.90 5.08 -1.00 -1.99 114.58 118.94 2jua h GLU 91 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jua h GLU 91 Cb 0.52 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jua h GLU 91 CO -0.82 0.82 -0.38 0.82 -1.00 0.00 0.00 179.01 178.44 2jua h ILE 92 N -0.46 0.00 -0.80 3.13 1.08 0.19 0.60 117.51 121.25 2jua h ILE 92 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2jua h ILE 92 Cb 0.86 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.52 2jua h ILE 92 CO 0.03 0.00 0.40 0.15 -0.69 0.00 0.00 178.15 178.04 2jua h PHE 93 N -0.74 0.70 0.00 1.37 3.57 0.27 0.84 116.94 122.96 2jua h PHE 93 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jua h PHE 93 Cb 0.65 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2jua h PHE 93 CO -0.23 0.19 0.00 1.58 -2.23 0.00 0.00 178.31 177.62 2jua n HIS 94 N -4.88 0.00 0.08 0.41 -0.00 -0.75 -2.62 115.22 107.46 2jua n HIS 94 Ca 0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 2jua n HIS 94 Cb 0.38 -0.33 -0.13 0.00 -0.12 0.00 0.00 29.99 29.80 2jua n HIS 94 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jua h HIS 95 N 0.00 0.26 0.68 1.57 2.76 0.64 -3.29 115.15 117.76 2jua h HIS 95 Ca 0.00 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 57.95 2jua h HIS 95 Cb 0.23 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 29.19 2jua h HIS 95 CO 0.00 1.15 -0.33 1.25 -1.30 0.00 0.00 177.93 178.71 2jua h LEU 96 N 0.04 -0.77 0.00 0.26 6.46 -1.28 -1.67 115.31 118.34 2jua h LEU 96 Ca -0.09 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2jua h LEU 96 Cb 1.89 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 42.02 2jua h LEU 96 CO 0.16 -0.40 0.19 1.21 -0.62 0.00 0.00 178.44 178.98 2jua n GLU 97 N -5.39 0.00 0.06 1.25 2.13 -1.24 0.14 120.64 117.58 2jua n GLU 97 Ca -0.12 0.14 -0.21 0.00 0.66 0.00 0.00 57.16 57.62 2jua n GLU 97 Cb 0.37 -1.69 -0.15 0.00 0.27 0.00 0.00 31.44 30.25 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 0.34 0.00 5.31 4.81 -1.37 0.02 114.58 123.69 2jua h GLU 98 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2jua h GLU 98 Cb 0.37 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jua h GLU 98 CO 0.00 1.25 0.00 1.28 -0.73 0.00 0.00 179.01 180.81 2jua n LEU 99 N -3.53 0.00 -0.00 1.64 4.77 0.37 -3.05 117.00 117.19 2jua n LEU 99 Ca -0.25 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2jua n LEU 99 Cb 1.07 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 42.02 2jua n LEU 99 CO 0.49 -0.03 -0.52 1.33 -1.33 0.00 0.00 177.39 177.34 2jua n VAL 100 N -1.13 0.02 1.62 4.08 0.24 -1.11 -4.56 118.33 117.48 2jua n VAL 100 Ca 0.15 -0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.57 2jua n VAL 100 Cb 0.13 0.02 0.81 0.00 -1.47 0.00 0.00 33.84 33.33 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 -1.69 0.00 0.05 6.34 -0.00 -0.01 -5.06 115.22 114.84 2jua n HIS 101 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.72 2jua n HIS 101 Cb 0.19 -0.18 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2jua n HIS 101 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88