#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 0.18 -1.26 -4.85 117.16 112.34 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jua n TYR 2 Cb 0.00 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 38.65 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jua n GLY 3 N -1.00 0.90 0.37 -7.48 0.00 -1.26 -4.97 105.19 91.75 2jua n GLY 3 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.54 1.17 -0.89 1.61 1.57 -2.01 -2.65 116.57 116.91 2jua h LYS 4 Ca 0.00 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2jua h LYS 4 Cb 0.00 -0.26 -0.12 0.00 0.08 0.00 0.00 32.23 31.92 2jua h LYS 4 CO 0.00 0.77 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.07 2jua h LEU 5 N 1.20 -1.86 -1.56 2.94 -0.00 -1.95 3.50 115.31 117.58 2jua h LEU 5 Ca 0.33 0.31 0.50 0.00 -0.00 0.00 0.00 57.88 59.02 2jua h LEU 5 Cb -0.12 0.85 -0.11 0.00 -0.00 0.00 0.00 40.66 41.28 2jua h LEU 5 CO -0.08 -0.28 1.06 -0.46 -0.00 0.00 0.00 178.44 178.69 2jua n ASN 6 N -5.34 0.12 -0.07 -0.43 6.94 -1.00 0.42 115.26 115.91 2jua n ASN 6 Ca 0.04 1.19 -0.14 0.00 -0.02 0.00 0.00 54.58 55.65 2jua n ASN 6 Cb 0.32 -0.59 -0.06 0.00 -2.36 0.00 0.00 39.78 37.09 2jua n ASN 6 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2jua h ASP 7 N 0.00 0.69 0.05 0.53 3.58 0.64 0.34 116.42 122.24 2jua h ASP 7 Ca 0.87 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 2jua h ASP 7 Cb 3.10 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 43.95 2jua h ASP 7 CO -0.28 1.07 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.05 2jua h LEU 8 N 0.32 -0.06 0.18 2.28 -0.00 0.95 -1.04 115.31 117.95 2jua h LEU 8 Ca 0.02 -0.61 -0.00 0.00 -0.00 0.00 0.00 57.88 57.30 2jua h LEU 8 Cb 0.91 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.57 2jua h LEU 8 CO 0.08 0.64 -0.26 0.25 -0.00 0.00 0.00 178.44 179.15 2jua h LEU 9 N -0.83 -0.73 -0.43 1.67 6.46 0.43 1.75 115.31 123.63 2jua h LEU 9 Ca -0.01 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 2jua h LEU 9 Cb 0.66 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 2jua h LEU 9 CO 0.01 -0.31 0.07 -0.08 -0.62 0.00 0.00 178.44 177.51 2jua h GLU 10 N -0.46 0.19 -0.06 1.25 4.81 -0.46 0.52 114.58 120.37 2jua h GLU 10 Ca -0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2jua h GLU 10 Cb 0.42 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jua h GLU 10 CO -0.07 0.13 -0.18 0.22 -0.73 0.00 0.00 179.01 178.37 2jua h ASP 11 N 0.20 0.09 0.07 1.04 1.82 -0.86 -0.65 116.42 118.12 2jua h ASP 11 Ca 0.21 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2jua h ASP 11 Cb 0.28 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2jua h ASP 11 CO -0.29 0.29 -0.03 0.25 -1.61 0.00 0.00 179.24 177.84 2jua h LEU 12 N 0.09 -0.08 -2.01 2.28 5.85 0.47 -2.98 115.31 118.93 2jua h LEU 12 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2jua h LEU 12 Cb 0.38 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jua h LEU 12 CO 0.03 0.36 0.27 0.06 -0.34 0.00 0.00 178.44 178.82 2jua h GLN 13 N -0.94 0.00 0.30 1.25 3.07 -0.08 -1.79 115.11 116.93 2jua h GLN 13 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2jua h GLN 13 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 2jua h GLN 13 CO 0.02 0.00 -0.15 0.93 0.09 0.00 0.00 178.83 179.72 2jua h GLU 14 N 0.00 -0.39 -1.33 0.06 5.08 -1.12 -1.20 114.58 115.67 2jua h GLU 14 Ca 0.00 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 58.78 2jua h GLU 14 Cb 0.53 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2jua h GLU 14 CO 0.00 -0.26 0.90 -0.39 -1.00 0.00 0.00 179.01 178.26 2jua h VAL 15 N -0.77 0.26 -0.13 3.13 -1.51 -1.18 4.86 116.25 120.91 2jua h VAL 15 Ca -0.04 -0.04 -0.09 0.00 -1.23 0.00 0.00 66.70 65.30 2jua h VAL 15 Cb 0.31 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.59 2jua h VAL 15 CO 0.07 0.02 -0.31 0.25 -1.23 0.00 0.00 177.57 176.37 2jua h LEU 16 N 0.12 0.26 0.11 4.19 5.85 -1.24 -1.11 115.31 123.49 2jua h LEU 16 Ca 0.73 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 59.15 2jua h LEU 16 Cb 2.45 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 43.43 2jua h LEU 16 CO -0.23 0.57 -0.89 0.50 -0.34 0.00 0.00 178.44 178.05 2jua h LYS 17 N 0.23 0.40 0.00 1.25 3.64 1.07 -1.92 116.57 121.24 2jua h LYS 17 Ca 0.03 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2jua h LYS 17 Cb 0.67 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2jua h LYS 17 CO 0.05 1.25 0.00 0.72 -2.27 0.00 0.00 179.45 179.20 2jua n HIS 18 N -4.06 0.00 0.00 1.91 8.25 0.11 -2.01 115.22 119.43 2jua n HIS 18 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2jua n HIS 18 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.96 0.00 0.14 1.59 0.31 -0.44 -4.20 118.33 114.76 2jua n VAL 19 Ca 0.14 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 2jua n VAL 19 Cb 0.06 1.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.84 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 0.01 0.75 0.47 4.52 -0.73 -0.72 -3.22 115.58 116.66 2jua h ASN 20 Ca 0.00 -0.81 -0.10 0.00 1.87 0.00 0.00 56.30 57.26 2jua h ASN 20 Cb 0.00 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 2jua h ASN 20 CO 0.00 1.63 -1.62 0.00 -0.37 0.00 0.00 177.43 177.07 2jua n GLN 21 N -3.67 0.64 -0.92 6.67 6.02 -1.25 -4.08 117.38 120.79 2jua n GLN 21 Ca -0.15 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.72 2jua n GLN 21 Cb 1.09 -1.69 0.16 0.00 1.02 0.00 0.00 30.24 30.82 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jua n HIS 22 N -2.63 2.28 -3.09 1.08 8.25 -1.25 -4.94 115.22 114.93 2jua n HIS 22 Ca -0.09 -1.43 -0.37 0.00 -0.26 0.00 0.00 57.72 55.58 2jua n HIS 22 Cb 0.73 -0.75 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.52 3.70 0.21 4.41 -0.11 -1.21 -4.50 118.94 118.92 2jua s TRP 23 Ca 0.44 1.43 -0.14 0.00 1.22 0.00 0.00 56.10 59.04 2jua s TRP 23 Cb 0.36 -2.64 0.01 0.00 -1.50 0.00 0.00 33.47 29.70 2jua s TRP 23 CO 0.09 0.37 0.46 -0.65 -4.62 0.00 0.00 176.95 172.60 2jua s GLN 24 N -1.81 1.41 -0.05 5.86 -0.21 -1.26 -4.91 119.66 118.70 2jua s GLN 24 Ca 0.41 -1.09 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2jua s GLN 24 Cb -0.18 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.30 2jua s GLN 24 CO 0.22 -0.58 0.04 0.41 -2.12 0.00 0.00 175.29 173.26 2jua n GLY 25 N -0.33 0.68 0.06 3.09 0.00 -1.26 -4.76 105.19 102.67 2jua n GLY 25 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.76 -0.35 0.11 -0.02 0.00 -1.26 -4.91 105.19 98.01 2jua n GLY 26 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jua n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLN 27 N 0.00 0.81 0.16 1.61 10.64 -1.26 -2.97 117.38 126.36 2jua n GLN 27 Ca 0.00 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.29 2jua n GLN 27 Cb 0.00 -1.09 0.24 0.00 -0.86 0.00 0.00 30.24 28.53 2jua n GLN 27 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2jua h LYS 28 N 0.04 0.00 0.00 2.61 2.10 -1.98 -3.04 116.57 116.31 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 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2jua h LYS 28 CO 0.00 0.00 -0.49 0.09 -2.00 0.00 0.00 179.45 177.05 2jua n ASN 29 N -2.72 0.69 -0.30 7.07 4.13 -1.16 -3.75 115.26 119.23 2jua n ASN 29 Ca 0.04 0.19 -0.02 0.00 1.68 0.00 0.00 54.58 56.46 2jua n ASN 29 Cb 0.49 -0.02 0.09 0.00 -1.54 0.00 0.00 39.78 38.81 2jua n ASN 29 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 2jua h MET 30 N 0.00 1.00 0.04 3.52 4.05 -1.74 0.39 114.93 122.19 2jua h MET 30 Ca 0.00 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 2jua h MET 30 Cb 0.72 -0.23 0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2jua h MET 30 CO 0.00 0.66 -0.65 -0.91 0.23 0.00 0.00 176.91 176.24 2jua h ASN 31 N 1.03 0.50 0.00 1.39 -0.26 -1.75 -0.84 115.58 115.65 2jua h ASN 31 Ca 0.32 -0.82 0.01 0.00 -0.56 0.00 0.00 56.30 55.24 2jua h ASN 31 Cb -0.02 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2jua h ASN 31 CO -0.10 1.26 -0.03 0.11 -1.06 0.00 0.00 177.43 177.61 2jua h LYS 32 N -0.21 -0.05 -0.40 0.81 1.57 -1.58 -1.83 116.57 114.87 2jua h LYS 32 Ca -0.09 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2jua h LYS 32 Cb 1.40 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2jua h LYS 32 CO 0.13 -0.03 -0.17 -0.39 -0.57 0.00 0.00 179.45 178.41 2jua h VAL 33 N -0.05 1.26 -0.24 0.50 -1.51 -0.33 -2.91 116.25 112.97 2jua h VAL 33 Ca 0.01 -1.25 0.06 0.00 -1.23 0.00 0.00 66.70 64.29 2jua h VAL 33 Cb 0.07 1.14 -0.06 0.00 -2.13 0.00 0.00 31.29 30.30 2jua h VAL 33 CO -0.03 0.42 -0.15 -0.78 -1.23 0.00 0.00 177.57 175.80 2jua h ASP 34 N 0.68 -0.49 -0.61 4.19 3.58 -0.68 0.12 116.42 123.22 2jua h ASP 34 Ca 0.10 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.73 2jua h ASP 34 Cb 0.66 0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 2jua h ASP 34 CO 0.05 -0.19 0.40 0.45 -2.88 0.00 0.00 179.24 177.07 2jua h HIS 35 N -0.13 0.58 0.65 0.28 3.86 -1.21 0.49 115.15 119.67 2jua h HIS 35 Ca 0.13 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2jua h HIS 35 Cb 0.33 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.62 2jua h HIS 35 CO -0.32 0.31 -0.31 0.45 0.86 0.00 0.00 177.93 178.92 2jua h HIS 36 N 0.58 -0.81 -0.16 2.45 3.86 -0.62 -2.43 115.15 118.01 2jua h HIS 36 Ca 0.26 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2jua h HIS 36 Cb 0.30 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2jua h HIS 36 CO -0.00 -0.46 0.04 -0.07 0.86 0.00 0.00 177.93 178.29 2jua h LEU 37 N -1.01 0.25 -1.24 2.43 3.38 -0.80 -2.41 115.31 115.91 2jua h LEU 37 Ca -0.09 -0.24 0.39 0.00 0.09 0.00 0.00 57.88 58.03 2jua h LEU 37 Cb 0.70 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 2jua h LEU 37 CO 0.15 0.43 0.71 1.56 0.09 0.00 0.00 178.44 181.38 2jua h GLN 38 N 0.07 0.16 -0.03 1.13 4.20 -0.02 1.36 115.11 121.98 2jua h GLN 38 Ca 0.05 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.52 2jua h GLN 38 Cb 0.28 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jua h GLN 38 CO 0.00 0.11 -0.92 -0.91 -0.67 0.00 0.00 178.83 176.44 2jua h ASN 39 N 0.17 0.70 0.28 1.46 2.35 -0.96 -3.15 115.58 116.43 2jua h ASN 39 Ca 0.78 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2jua h ASN 39 Cb 2.18 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.34 2jua h ASN 39 CO -0.51 1.33 -0.14 0.58 -1.65 0.00 0.00 177.43 177.04 2jua h VAL 40 N 0.33 0.00 -1.13 2.81 2.07 0.20 -2.94 116.25 117.59 2jua h VAL 40 Ca -0.08 -0.41 0.40 0.00 0.82 0.00 0.00 66.70 67.42 2jua h VAL 40 Cb 1.55 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 2jua h VAL 40 CO 0.17 0.00 0.71 -0.38 0.02 0.00 0.00 177.57 178.09 2jua n ILE 41 N -4.18 -0.23 -0.07 4.57 5.41 0.13 0.43 119.36 125.42 2jua n ILE 41 Ca -0.05 1.55 -0.06 0.00 1.00 0.00 0.00 62.75 65.19 2jua n ILE 41 Cb 0.15 -2.53 0.12 0.00 -0.71 0.00 0.00 39.64 36.67 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 0.72 -0.02 0.38 4.81 -1.50 -2.48 114.58 116.49 2jua h GLU 42 Ca 0.74 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 2jua h GLU 42 Cb 2.34 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.67 2jua h GLU 42 CO -0.42 0.86 -0.04 0.22 -0.73 0.00 0.00 179.01 178.90 2jua h ASP 43 N 0.63 -0.13 -0.11 1.04 3.58 0.91 -1.36 116.42 120.98 2jua h ASP 43 Ca 0.09 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.61 2jua h ASP 43 Cb 0.69 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 2jua h ASP 43 CO 0.05 -0.06 -0.16 0.40 -2.88 0.00 0.00 179.24 176.59 2jua h ILE 44 N -0.07 0.58 -0.84 2.25 2.04 -1.32 0.26 117.51 120.41 2jua h ILE 44 Ca 0.03 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.13 2jua h ILE 44 Cb 0.10 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2jua h ILE 44 CO -0.06 0.00 0.61 -0.74 0.00 0.00 0.00 178.15 177.95 2jua h HIS 45 N -0.21 0.01 -0.00 1.37 2.76 -1.03 1.43 115.15 119.49 2jua h HIS 45 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2jua h HIS 45 Cb 0.34 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2jua h HIS 45 CO -0.27 0.00 -0.24 -3.47 -1.30 0.00 0.00 177.93 172.66 2jua n ASP 46 N -4.29 0.41 0.13 3.26 -0.08 0.75 -3.63 116.55 113.10 2jua n ASP 46 Ca 0.17 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2jua n ASP 46 Cb 0.91 -0.05 0.09 0.00 2.34 0.00 0.00 41.12 44.41 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jua h PHE 47 N 0.27 0.00 0.02 -0.67 3.04 0.36 0.63 116.94 120.59 2jua h PHE 47 Ca 0.00 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 2jua h PHE 47 Cb 0.46 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.99 2jua h PHE 47 CO 0.00 0.63 -0.96 0.00 -2.02 0.00 0.00 178.31 175.95 2jua h MET 48 N 0.00 0.62 0.10 1.11 -0.00 -1.61 -3.34 114.93 111.81 2jua h MET 48 Ca -0.01 -0.69 -0.33 0.00 -0.00 0.00 0.00 59.70 58.67 2jua h MET 48 Cb 1.32 0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 33.11 2jua h MET 48 CO 0.08 1.28 -1.76 -0.56 -0.00 0.00 0.00 176.91 175.96 2jua h GLN 49 N 0.25 0.22 0.00 -0.10 3.07 -1.70 -3.29 115.11 113.55 2jua h GLN 49 Ca -0.13 -0.37 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2jua h GLN 49 Cb 1.64 0.14 0.00 0.00 0.08 0.00 0.00 27.48 29.33 2jua h GLN 49 CO 0.19 1.04 0.23 0.41 0.09 0.00 0.00 178.83 180.79 2jua n GLY 50 N 1.78 -0.12 4.42 0.06 0.00 0.22 -4.66 105.19 106.89 2jua n GLY 50 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.02 1.19 0.00 -0.02 0.00 -1.24 -3.72 105.19 100.38 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 0.00 -0.10 2.63 -0.02 0.00 -1.26 -5.01 105.19 101.43 2jua n GLY 52 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 6.40 0.00 1.61 7.64 -1.24 -4.71 113.62 123.32 2jua n SER 53 Ca 0.00 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.90 2jua n SER 53 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 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 2.84 -0.13 0.13 0.23 0.00 -1.26 0.88 105.19 107.87 2jua n GLY 54 Ca 0.55 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 2jua n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jua h GLY 55 N 0.00 0.28 2.00 -0.02 0.00 -1.99 -3.25 103.07 100.08 2jua h GLY 55 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2jua h GLY 55 CO 0.00 0.63 0.00 0.50 0.00 0.00 0.00 176.54 177.67 2jua h LYS 56 N 0.07 0.00 0.00 4.80 1.79 0.10 -2.91 116.57 120.42 2jua h LYS 56 Ca -0.36 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2jua h LYS 56 Cb 2.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.69 2jua h LYS 56 CO 0.12 0.00 -0.16 1.25 -1.08 0.00 0.00 179.45 179.58 2jua h LEU 57 N 0.00 0.00 0.00 2.94 6.46 -1.61 -3.25 115.31 119.85 2jua h LEU 57 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2jua h LEU 57 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2jua h LEU 57 CO 0.00 0.60 0.29 0.00 -0.62 0.00 0.00 178.44 178.71 2jua n GLN 58 N -4.72 0.00 -0.06 1.25 3.00 -1.10 -0.15 117.38 115.59 2jua n GLN 58 Ca -0.03 0.14 -0.06 0.00 -0.01 0.00 0.00 57.00 57.04 2jua n GLN 58 Cb 0.10 -1.79 -0.05 0.00 0.00 0.00 0.00 30.24 28.50 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 5.08 -1.57 -3.29 114.58 113.70 2jua h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jua h GLU 59 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jua h GLU 59 CO 0.00 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 2jua n MET 60 N -4.68 0.06 -0.17 2.33 0.00 0.78 -3.17 117.12 112.27 2jua n MET 60 Ca -0.06 0.28 -0.03 0.00 0.00 0.00 0.00 57.70 57.89 2jua n MET 60 Cb 0.23 -1.60 0.04 0.00 0.00 0.00 0.00 33.22 31.88 2jua n MET 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2jua h MET 61 N 0.00 -0.01 -0.58 3.17 -1.53 -1.28 0.94 114.93 115.65 2jua h MET 61 Ca 0.00 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.33 2jua h MET 61 Cb 0.30 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 2jua h MET 61 CO 0.00 -0.01 0.38 0.87 0.14 0.00 0.00 176.91 178.29 2jua h LYS 62 N -0.02 0.50 0.00 0.39 1.57 -1.73 0.16 116.57 117.45 2jua h LYS 62 Ca 0.25 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 2jua h LYS 62 Cb 0.39 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jua h LYS 62 CO -0.54 0.33 -0.91 0.93 -0.57 0.00 0.00 179.45 178.69 2jua h GLU 63 N 0.52 0.30 0.48 3.15 4.39 -0.01 -2.39 114.58 121.02 2jua h GLU 63 Ca 0.25 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2jua h GLU 63 Cb 0.33 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jua h GLU 63 CO -0.07 1.03 -0.23 0.35 -1.16 0.00 0.00 179.01 178.93 2jua h PHE 64 N 0.17 -0.59 0.00 4.33 3.04 0.24 -2.83 116.94 121.29 2jua h PHE 64 Ca -0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2jua h PHE 64 Cb 1.55 0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.25 2jua h PHE 64 CO 0.04 -0.31 0.00 0.94 -2.02 0.00 0.00 178.31 176.97 2jua n GLN 65 N -5.21 0.05 0.10 1.11 -0.06 0.37 -1.31 117.38 112.44 2jua n GLN 65 Ca -0.09 0.29 -0.16 0.00 -2.00 0.00 0.00 57.00 55.04 2jua n GLN 65 Cb 0.28 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.82 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 0.28 0.18 3.69 1.08 -1.18 -3.13 115.11 116.02 2jua h GLN 66 Ca 0.00 -0.48 -0.32 0.00 -1.45 0.00 0.00 58.65 56.41 2jua h GLN 66 Cb 0.07 0.18 0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2jua h GLN 66 CO 0.00 1.21 -1.49 0.28 -0.95 0.00 0.00 178.83 177.88 2jua h VAL 67 N 0.08 1.23 -0.66 -0.54 2.07 -1.06 -2.82 116.25 114.55 2jua h VAL 67 Ca -0.15 -2.78 0.12 0.00 0.82 0.00 0.00 66.70 64.71 2jua h VAL 67 Cb 1.99 2.89 -0.08 0.00 -1.52 0.00 0.00 31.29 34.56 2jua h VAL 67 CO 0.20 0.84 0.22 0.25 0.02 0.00 0.00 177.57 179.10 2jua h LEU 68 N 0.10 0.17 -0.05 2.57 7.12 -1.46 0.48 115.31 124.23 2jua h LEU 68 Ca -0.24 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2jua h LEU 68 Cb 2.07 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 42.30 2jua h LEU 68 CO 0.21 0.08 -0.10 0.47 -0.13 0.00 0.00 178.44 178.97 2jua n ASP 69 N -5.04 0.19 -0.01 1.25 9.92 -1.18 -3.23 116.55 118.45 2jua n ASP 69 Ca 0.11 -0.01 -0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2jua n ASP 69 Cb 0.34 -0.24 -0.00 0.00 -0.64 0.00 0.00 41.12 40.58 2jua n ASP 69 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2jua h GLU 70 N 0.13 0.00 -0.99 -1.24 4.81 0.16 -3.33 114.58 114.13 2jua h GLU 70 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 2jua h GLU 70 Cb 0.42 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.70 2jua h GLU 70 CO 0.00 0.00 0.61 0.82 -0.73 0.00 0.00 179.01 179.71 2jua h ILE 71 N -0.09 0.72 -1.08 2.32 2.04 -1.34 0.30 117.51 120.37 2jua h ILE 71 Ca 0.00 -0.24 0.32 0.00 1.00 0.00 0.00 64.86 65.94 2jua h ILE 71 Cb 0.02 -0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 35.92 2jua h ILE 71 CO 0.00 0.13 0.66 0.50 0.00 0.00 0.00 178.15 179.44 2jua h LYS 72 N 0.71 0.31 -0.42 2.37 3.64 -1.72 1.10 116.57 122.57 2jua h LYS 72 Ca 0.55 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.78 2jua h LYS 72 Cb 0.93 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2jua h LYS 72 CO -0.33 0.21 -0.25 1.96 -2.27 0.00 0.00 179.45 178.77 2jua h GLN 73 N 0.32 0.86 -0.75 1.90 4.20 -0.51 -2.45 115.11 118.69 2jua h GLN 73 Ca 0.70 -0.37 0.22 0.00 0.06 0.00 0.00 58.65 59.26 2jua h GLN 73 Cb 1.77 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.49 2jua h GLN 73 CO -0.46 1.01 0.59 1.96 -0.67 0.00 0.00 178.83 181.26 2jua h GLN 74 N 0.74 0.00 -1.85 1.46 1.08 0.13 -1.51 115.11 115.16 2jua h GLN 74 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2jua h GLN 74 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2jua h GLN 74 CO 0.07 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.23 2jua n LEU 75 N -4.11 1.60 0.00 1.46 7.99 -0.92 -3.85 117.00 119.17 2jua n LEU 75 Ca 0.15 -0.74 0.14 0.00 -0.01 0.00 0.00 56.01 55.55 2jua n LEU 75 Cb 0.86 -0.32 0.86 0.00 -0.11 0.00 0.00 43.42 44.71 2jua n LEU 75 CO 0.35 0.29 1.03 1.67 -1.51 0.00 0.00 177.39 179.23 2jua n GLN 76 N 1.41 0.89 0.00 3.23 7.27 -0.57 -4.83 117.38 124.78 2jua n GLN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jua n GLN 76 Cb 0.18 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jua n GLY 77 N 0.82 1.20 0.00 1.69 0.00 -1.25 -5.06 105.19 102.59 2jua n GLY 77 Ca 0.21 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.33 2.52 -0.02 0.00 -1.26 -4.90 105.19 101.85 2jua n GLY 78 Ca 0.00 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2jua n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jua n ASP 79 N 0.00 7.67 0.00 1.61 5.75 -1.26 -4.69 116.55 125.62 2jua n ASP 79 Ca 0.00 -3.26 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 2jua n ASP 79 Cb 0.00 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 38.79 2jua n ASP 79 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2jua n ASN 80 N 1.24 0.00 -0.03 -1.12 0.23 -1.26 -0.26 115.26 114.06 2jua n ASN 80 Ca 0.58 0.13 -0.19 0.00 -0.53 0.00 0.00 54.58 54.57 2jua n ASN 80 Cb 0.30 -0.13 -0.13 0.00 -2.08 0.00 0.00 39.78 37.74 2jua n ASN 80 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2jua h SER 81 N 0.00 0.21 -0.94 0.53 0.02 -1.85 -3.28 113.55 108.24 2jua h SER 81 Ca 0.00 -0.85 0.16 0.00 -0.84 0.00 0.00 61.79 60.26 2jua h SER 81 Cb 0.10 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 2jua h SER 81 CO 0.00 1.37 0.60 -0.07 -1.14 0.00 0.00 176.83 177.59 2jua h LEU 82 N -0.66 0.71 -1.66 5.07 4.07 -0.86 0.66 115.31 122.65 2jua h LEU 82 Ca -0.19 0.05 0.33 0.00 0.08 0.00 0.00 57.88 58.15 2jua h LEU 82 Cb 1.43 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 43.04 2jua h LEU 82 CO 0.01 0.33 1.01 -0.74 -1.08 0.00 0.00 178.44 177.97 2jua h HIS 83 N 0.73 0.00 0.00 1.13 2.76 -1.59 2.86 115.15 121.04 2jua h HIS 83 Ca 0.49 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.36 2jua h HIS 83 Cb 0.77 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.68 2jua h HIS 83 CO -0.00 0.00 -2.14 0.27 -1.30 0.00 0.00 177.93 174.76 2jua n ASN 84 N -3.69 1.07 -0.05 3.26 6.94 0.22 -4.27 115.26 118.74 2jua n ASN 84 Ca 0.25 -0.01 -0.20 0.00 -0.02 0.00 0.00 54.58 54.59 2jua n ASN 84 Cb 1.37 0.78 -0.13 0.00 -2.36 0.00 0.00 39.78 39.44 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2jua h VAL 85 N 0.00 1.15 -0.56 3.53 2.07 0.16 -3.31 116.25 119.29 2jua h VAL 85 Ca -0.45 -2.31 0.16 0.00 0.82 0.00 0.00 66.70 64.92 2jua h VAL 85 Cb 1.99 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 34.42 2jua h VAL 85 CO 0.01 0.55 0.52 -0.74 0.02 0.00 0.00 177.57 177.93 2jua h HIS 86 N -0.69 0.00 0.00 1.57 -0.00 0.45 1.48 115.15 117.96 2jua h HIS 86 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2jua h HIS 86 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.85 2jua h HIS 86 CO 0.15 0.00 0.00 1.49 -0.00 0.00 0.00 177.93 179.57 2jua h GLU 87 N 0.00 0.00 0.47 5.26 4.81 -1.64 -3.23 114.58 120.24 2jua h GLU 87 Ca 0.26 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2jua h GLU 87 Cb 1.29 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 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.14 2jua h ASN 88 N 0.00 -0.53 -0.93 1.04 4.21 0.19 -3.13 115.58 116.43 2jua h ASN 88 Ca 0.00 0.02 0.18 0.00 1.21 0.00 0.00 56.30 57.71 2jua h ASN 88 Cb 0.46 0.14 -0.17 0.00 -1.12 0.00 0.00 38.32 37.63 2jua h ASN 88 CO 0.00 -0.28 -0.25 -0.38 -1.29 0.00 0.00 177.43 175.23 2jua n ILE 89 N -4.25 -0.40 -0.19 2.81 5.41 -1.22 0.15 119.36 121.67 2jua n ILE 89 Ca -0.08 2.13 -0.06 0.00 1.00 0.00 0.00 62.75 65.73 2jua n ILE 89 Cb 0.25 -2.93 -0.05 0.00 -0.71 0.00 0.00 39.64 36.20 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 -0.06 -0.02 0.38 3.64 -1.63 2.01 116.57 120.89 2jua h LYS 90 Ca 0.43 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.64 2jua h LYS 90 Cb 0.66 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jua h LYS 90 CO -0.95 -0.04 -0.67 0.93 -2.27 0.00 0.00 179.45 176.45 2jua h GLU 91 N -0.06 0.48 0.44 1.90 5.08 -0.85 -2.80 114.58 118.77 2jua h GLU 91 Ca 0.07 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2jua h GLU 91 Cb 0.25 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2jua h GLU 91 CO -0.46 1.14 -0.43 0.82 -1.00 0.00 0.00 179.01 179.07 2jua h ILE 92 N 0.03 0.13 -0.33 3.13 1.08 0.20 0.30 117.51 122.04 2jua h ILE 92 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2jua h ILE 92 Cb 1.36 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 2jua h ILE 92 CO 0.13 0.00 -0.03 0.15 -0.69 0.00 0.00 178.15 177.72 2jua h PHE 93 N -0.89 -0.07 0.00 1.37 3.57 0.31 0.37 116.94 121.60 2jua h PHE 93 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jua h PHE 93 Cb 0.78 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2jua h PHE 93 CO -0.23 -0.09 0.00 1.58 -2.23 0.00 0.00 178.31 177.34 2jua n HIS 94 N -5.21 0.00 0.03 0.41 -0.00 -1.06 -2.31 115.22 107.08 2jua n HIS 94 Ca 0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.18 2jua n HIS 94 Cb 0.18 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.96 2jua n HIS 94 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jua n HIS 95 N -0.84 0.98 -0.01 1.57 -0.00 0.13 -4.09 115.22 112.96 2jua n HIS 95 Ca 0.10 0.33 -0.11 0.00 0.46 0.00 0.00 57.72 58.50 2jua n HIS 95 Cb 0.05 -1.10 -0.09 0.00 -0.12 0.00 0.00 29.99 28.73 2jua n HIS 95 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jua h LEU 96 N 0.00 -0.07 0.00 0.27 6.46 -1.35 -2.97 115.31 117.65 2jua h LEU 96 Ca -0.18 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.01 2jua h LEU 96 Cb 1.63 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2jua h LEU 96 CO 0.05 0.64 0.21 1.21 -0.62 0.00 0.00 178.44 179.92 2jua n GLU 97 N -4.78 0.00 -0.05 1.25 2.13 -1.24 0.31 120.64 118.26 2jua n GLU 97 Ca -0.08 0.18 -0.22 0.00 0.66 0.00 0.00 57.16 57.70 2jua n GLU 97 Cb 0.31 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.19 2jua n GLU 97 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jua n GLU 98 N -1.12 0.67 0.00 5.31 1.02 -1.13 -1.94 120.64 123.46 2jua n GLU 98 Ca 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2jua n GLU 98 Cb 0.21 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jua n LEU 99 N -3.90 0.00 -0.00 -4.62 4.77 0.15 -0.44 117.00 112.96 2jua n LEU 99 Ca -0.34 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 2jua n LEU 99 Cb 0.89 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2jua n LEU 99 CO 0.31 -0.32 -0.39 1.33 -1.33 0.00 0.00 177.39 176.99 2jua n VAL 100 N -1.32 0.00 0.80 4.08 0.24 -1.16 -4.57 118.33 116.40 2jua n VAL 100 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2jua n VAL 100 Cb 0.00 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.46 0.00 0.35 6.34 -0.00 0.41 -4.97 115.22 115.89 2jua n HIS 101 Ca -0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 57.72 57.69 2jua n HIS 101 Cb 0.08 -0.10 0.03 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