#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 -4.87 117.16 112.32 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 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 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 -0.50 0.31 0.19 -7.48 0.00 -1.26 -4.99 105.19 91.45 2jua n GLY 3 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -0.28 1.61 1.57 -2.01 -3.20 116.57 114.26 2jua h LYS 4 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2jua h LYS 4 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 2jua h LYS 4 CO 0.00 0.37 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.67 2jua h LEU 5 N 0.00 -1.64 -1.56 2.94 -0.00 -1.96 1.34 115.31 114.42 2jua h LEU 5 Ca -0.00 0.22 0.51 0.00 -0.00 0.00 0.00 57.88 58.60 2jua h LEU 5 Cb 0.78 0.67 -0.12 0.00 -0.00 0.00 0.00 40.66 41.98 2jua h LEU 5 CO 0.05 -0.43 1.04 -1.13 -0.00 0.00 0.00 178.44 177.97 2jua h ASN 6 N -0.46 0.14 -0.29 -0.43 -1.24 -1.94 4.83 115.58 116.19 2jua h ASN 6 Ca 0.08 0.11 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 2jua h ASN 6 Cb 0.63 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 2jua h ASN 6 CO -0.51 -0.19 -0.23 -0.78 -1.29 0.00 0.00 177.43 174.43 2jua h ASP 7 N 0.01 0.70 0.10 1.15 3.58 0.16 0.68 116.42 122.79 2jua h ASP 7 Ca 0.90 -0.45 -0.00 0.00 0.42 0.00 0.00 57.03 57.89 2jua h ASP 7 Cb 3.10 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.96 2jua h ASP 7 CO -0.34 1.00 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.90 2jua h LEU 8 N 0.40 -0.11 0.31 2.28 -0.00 0.97 -1.64 115.31 117.52 2jua h LEU 8 Ca 0.05 -0.44 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 2jua h LEU 8 Cb 0.78 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 2jua h LEU 8 CO 0.06 0.53 -0.31 0.25 -0.00 0.00 0.00 178.44 178.97 2jua h LEU 9 N -0.91 -0.84 -0.64 1.67 6.46 0.40 0.60 115.31 122.05 2jua h LEU 9 Ca -0.01 0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.94 2jua h LEU 9 Cb 0.54 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 40.65 2jua h LEU 9 CO 0.02 -0.40 0.14 -0.08 -0.62 0.00 0.00 178.44 177.50 2jua h GLU 10 N -0.61 0.26 -0.50 1.25 4.81 0.26 0.31 114.58 120.35 2jua h GLU 10 Ca -0.04 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jua h GLU 10 Cb 0.53 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2jua h GLU 10 CO -0.04 0.17 0.31 -0.44 -0.73 0.00 0.00 179.01 178.29 2jua h ASP 11 N 0.27 0.60 0.61 1.04 3.32 -0.91 0.11 116.42 121.46 2jua h ASP 11 Ca 0.35 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2jua h ASP 11 Cb 0.53 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2jua h ASP 11 CO -0.43 0.47 -0.31 0.25 -1.72 0.00 0.00 179.24 177.49 2jua h LEU 12 N 0.67 -0.75 -2.48 1.55 5.85 0.20 -1.08 115.31 119.27 2jua h LEU 12 Ca 0.18 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2jua h LEU 12 Cb -0.03 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2jua h LEU 12 CO -0.04 -0.52 -0.02 0.06 -0.34 0.00 0.00 178.44 177.59 2jua h GLN 13 N -0.85 0.00 0.42 1.25 3.07 -0.89 -2.17 115.11 115.94 2jua h GLN 13 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 2jua h GLN 13 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.23 2jua h GLN 13 CO 0.12 0.02 -0.20 0.93 0.09 0.00 0.00 178.83 179.79 2jua h GLU 14 N 0.00 -0.54 -1.09 0.06 4.39 0.16 -1.43 114.58 116.12 2jua h GLU 14 Ca -0.00 0.04 0.33 0.00 0.34 0.00 0.00 59.36 60.06 2jua h GLU 14 Cb 0.06 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 28.70 2jua h GLU 14 CO 0.00 -0.36 0.67 -0.39 -1.16 0.00 0.00 179.01 177.77 2jua h VAL 15 N -0.89 0.35 0.00 3.13 -1.51 -0.99 3.62 116.25 119.97 2jua h VAL 15 Ca -0.06 -0.11 -0.03 0.00 -1.23 0.00 0.00 66.70 65.28 2jua h VAL 15 Cb 0.43 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.60 2jua h VAL 15 CO 0.09 0.06 -0.14 0.25 -1.23 0.00 0.00 177.57 176.60 2jua h LEU 16 N 0.31 0.00 0.03 4.19 5.85 -1.18 -1.61 115.31 122.91 2jua h LEU 16 Ca 0.70 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.42 2jua h LEU 16 Cb 1.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2jua h LEU 16 CO -0.45 0.14 -0.02 0.50 -0.34 0.00 0.00 178.44 178.27 2jua h LYS 17 N 0.00 -0.04 0.00 1.25 1.63 0.79 -2.21 116.57 117.98 2jua h LYS 17 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jua h LYS 17 Cb 0.28 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2jua h LYS 17 CO 0.02 0.55 0.00 0.72 -3.45 0.00 0.00 179.45 177.29 2jua n HIS 18 N -4.73 0.00 -0.04 1.91 8.25 -0.30 -1.33 115.22 118.98 2jua n HIS 18 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 2jua n HIS 18 Cb 0.30 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.93 0.53 -0.28 1.59 0.31 -0.62 -4.01 118.33 114.92 2jua n VAL 19 Ca 0.04 -0.42 -0.02 0.00 -0.01 0.00 0.00 64.34 63.93 2jua n VAL 19 Cb 0.02 -0.39 0.15 0.00 -0.91 0.00 0.00 33.84 32.71 2jua n VAL 19 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2jua h ASN 20 N 0.00 1.01 0.41 4.52 4.21 -0.56 0.17 115.58 125.34 2jua h ASN 20 Ca -0.21 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.22 2jua h ASN 20 Cb 1.33 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2jua h ASN 20 CO 0.01 0.80 -0.49 0.00 -1.29 0.00 0.00 177.43 176.47 2jua n GLN 21 N -4.35 0.17 -0.25 0.81 6.02 -1.24 -3.78 117.38 114.76 2jua n GLN 21 Ca 0.09 -0.11 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 2jua n GLN 21 Cb 0.09 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.32 0.60 -2.32 1.08 8.25 -0.72 -5.00 115.22 115.79 2jua n HIS 22 Ca 0.07 -0.60 -0.40 0.00 -0.26 0.00 0.00 57.72 56.53 2jua n HIS 22 Cb 0.34 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.48 3.31 0.02 4.41 -0.11 0.50 -4.50 118.94 121.09 2jua s TRP 23 Ca 0.28 1.57 -0.17 0.00 1.22 0.00 0.00 56.10 59.00 2jua s TRP 23 Cb 0.18 -3.45 0.03 0.00 -1.50 0.00 0.00 33.47 28.73 2jua s TRP 23 CO 0.14 -1.14 0.39 -0.65 -4.62 0.00 0.00 176.95 171.06 2jua s GLN 24 N -1.69 0.85 0.00 5.86 -0.21 -1.26 -4.98 119.66 118.23 2jua s GLN 24 Ca 0.48 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.56 2jua s GLN 24 Cb -0.35 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.04 2jua s GLN 24 CO 0.45 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 2jua n GLY 25 N 0.74 0.54 0.00 3.09 0.00 -1.26 -4.66 105.19 103.64 2jua n GLY 25 Ca -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 0.79 0.00 -0.02 0.00 -1.26 -4.85 105.19 99.15 2jua n GLY 26 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 0.71 -0.01 1.61 7.27 -1.26 -2.75 117.38 122.95 2jua n GLN 27 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 2jua n GLN 27 Cb 0.00 -1.08 -0.14 0.00 2.41 0.00 0.00 30.24 31.44 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 0.00 0.00 -0.46 3.69 2.10 -2.01 -3.36 116.57 116.54 2jua h LYS 28 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2jua h LYS 28 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2jua h LYS 28 CO 0.00 0.51 0.09 -0.91 -2.00 0.00 0.00 179.45 177.15 2jua h ASN 29 N 0.00 0.71 -0.68 7.07 4.21 -1.88 -2.17 115.58 122.84 2jua h ASN 29 Ca -0.26 -0.25 0.20 0.00 1.21 0.00 0.00 56.30 57.20 2jua h ASN 29 Cb 1.98 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 38.97 2jua h ASN 29 CO 0.08 0.78 1.02 -0.03 -1.29 0.00 0.00 177.43 177.99 2jua h MET 30 N 0.61 0.00 0.08 0.81 4.05 -1.74 1.26 114.93 120.00 2jua h MET 30 Ca 0.14 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.23 2jua h MET 30 Cb 0.36 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 2jua h MET 30 CO 0.01 0.00 -1.83 0.09 0.23 0.00 0.00 176.91 175.41 2jua n ASN 31 N -3.14 2.03 0.15 1.39 5.03 -0.83 -2.58 115.26 117.32 2jua n ASN 31 Ca 0.15 0.26 0.02 0.00 0.87 0.00 0.00 54.58 55.87 2jua n ASN 31 Cb 1.24 -0.87 0.17 0.00 -1.02 0.00 0.00 39.78 39.30 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 -0.30 0.00 0.00 3.52 1.57 0.40 -3.28 116.57 118.49 2jua h LYS 32 Ca -0.42 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 2jua h LYS 32 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 2jua h LYS 32 CO -0.03 0.55 -0.19 -0.39 -0.57 0.00 0.00 179.45 178.82 2jua h VAL 33 N 0.00 1.51 -1.82 0.50 -1.51 0.11 -3.14 116.25 111.90 2jua h VAL 33 Ca -0.01 -2.21 0.54 0.00 -1.23 0.00 0.00 66.70 63.80 2jua h VAL 33 Cb 1.17 2.93 -0.09 0.00 -2.13 0.00 0.00 31.29 33.17 2jua h VAL 33 CO 0.07 0.51 1.28 -0.67 -1.23 0.00 0.00 177.57 177.54 2jua n ASP 34 N -4.60 0.05 0.07 4.19 2.03 -1.06 0.44 116.55 117.67 2jua n ASP 34 Ca -0.12 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 56.16 2jua n ASP 34 Cb 0.47 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.22 2jua n ASP 34 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2jua h HIS 35 N 0.00 0.12 -0.35 -0.67 2.76 -1.61 -1.13 115.15 114.27 2jua h HIS 35 Ca 0.91 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.97 2jua h HIS 35 Cb 3.52 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 32.46 2jua h HIS 35 CO -0.00 1.06 0.12 0.45 -1.30 0.00 0.00 177.93 178.26 2jua h HIS 36 N 0.02 0.55 0.05 5.26 3.86 0.94 -2.69 115.15 123.14 2jua h HIS 36 Ca -0.04 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2jua h HIS 36 Cb 1.80 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 30.11 2jua h HIS 36 CO 0.02 0.52 -0.02 -0.07 0.86 0.00 0.00 177.93 179.24 2jua h LEU 37 N 0.42 -0.06 -1.43 2.43 3.38 -1.39 -3.09 115.31 115.56 2jua h LEU 37 Ca 0.11 -0.54 0.41 0.00 0.09 0.00 0.00 57.88 57.96 2jua h LEU 37 Cb 0.22 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2jua h LEU 37 CO -0.01 0.66 1.26 0.00 0.09 0.00 0.00 178.44 180.44 2jua n GLN 38 N -4.76 0.01 0.12 1.13 6.02 -0.43 0.38 117.38 119.86 2jua n GLN 38 Ca -0.07 1.00 -0.20 0.00 -0.01 0.00 0.00 57.00 57.72 2jua n GLN 38 Cb 0.29 -2.39 -0.15 0.00 1.02 0.00 0.00 30.24 29.01 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 0.63 0.00 1.08 -0.00 -1.42 -3.22 115.58 112.64 2jua h ASN 39 Ca 0.68 -0.67 -0.00 0.00 -0.00 0.00 0.00 56.30 56.31 2jua h ASN 39 Cb 3.19 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 41.31 2jua h ASN 39 CO -0.01 1.53 -0.00 0.58 -0.00 0.00 0.00 177.43 179.53 2jua h VAL 40 N 0.11 0.00 -1.30 2.57 2.07 0.72 -2.84 116.25 117.58 2jua h VAL 40 Ca -0.19 -0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.70 2jua h VAL 40 Cb 2.07 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2jua h VAL 40 CO 0.24 0.00 0.95 -0.38 0.02 0.00 0.00 177.57 178.39 2jua n ILE 41 N -2.01 0.00 0.09 4.57 5.41 -0.28 0.45 119.36 127.59 2jua n ILE 41 Ca -0.00 0.98 -0.17 0.00 1.00 0.00 0.00 62.75 64.57 2jua n ILE 41 Cb 0.00 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.19 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 0.44 -0.11 0.38 4.57 -1.56 -2.88 114.58 115.42 2jua h GLU 42 Ca 0.62 -0.57 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2jua h GLU 42 Cb 2.50 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 31.27 2jua h GLU 42 CO -0.01 1.22 -0.25 0.22 -1.18 0.00 0.00 179.01 179.01 2jua h ASP 43 N 0.20 0.18 -0.14 1.04 3.58 0.99 -2.56 116.42 119.71 2jua h ASP 43 Ca -0.13 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 2jua h ASP 43 Cb 1.79 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.79 2jua h ASP 43 CO 0.20 0.44 -0.12 0.40 -2.88 0.00 0.00 179.24 177.28 2jua h ILE 44 N 0.17 1.34 -0.42 2.25 2.04 -1.38 -2.51 117.51 119.00 2jua h ILE 44 Ca 0.03 -1.24 0.12 0.00 1.00 0.00 0.00 64.86 64.77 2jua h ILE 44 Cb 0.54 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2jua h ILE 44 CO 0.04 0.36 0.32 0.45 0.00 0.00 0.00 178.15 179.32 2jua h HIS 45 N -0.03 0.00 -0.00 1.37 3.86 -1.27 0.91 115.15 119.99 2jua h HIS 45 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2jua h HIS 45 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2jua h HIS 45 CO 0.08 0.00 -0.07 -3.47 0.86 0.00 0.00 177.93 175.33 2jua n ASP 46 N -4.27 0.36 0.10 2.45 2.03 -0.97 -3.53 116.55 112.73 2jua n ASP 46 Ca 0.07 -0.56 -0.17 0.00 0.52 0.00 0.00 54.79 54.65 2jua n ASP 46 Cb 0.52 -0.11 -0.12 0.00 -0.72 0.00 0.00 41.12 40.69 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jua h PHE 47 N 0.46 0.65 0.78 -0.67 3.57 0.12 -0.60 116.94 121.25 2jua h PHE 47 Ca 0.00 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 2jua h PHE 47 Cb 0.31 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.02 2jua h PHE 47 CO 0.00 1.32 -0.38 0.52 -2.23 0.00 0.00 178.31 177.54 2jua h MET 48 N 0.14 -1.01 -0.36 1.11 2.86 -1.60 -2.99 114.93 113.08 2jua h MET 48 Ca -0.15 0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2jua h MET 48 Cb 1.92 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.79 2jua h MET 48 CO 0.21 -0.67 -0.29 -0.56 1.06 0.00 0.00 176.91 176.67 2jua h GLN 49 N -1.06 0.77 0.00 1.72 -0.00 -1.72 -2.45 115.11 112.36 2jua h GLN 49 Ca -0.11 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2jua h GLN 49 Cb 0.81 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 2jua h GLN 49 CO 0.18 0.96 0.14 0.41 -0.00 0.00 0.00 178.83 180.52 2jua n GLY 50 N -0.13 -0.11 4.62 0.06 0.00 -0.23 -4.64 105.19 104.76 2jua n GLY 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.98 0.47 0.00 -0.02 0.00 -0.92 -2.49 105.19 101.24 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 0.00 3.30 -0.02 0.00 -1.26 -4.96 105.19 102.26 2jua n GLY 52 Ca 0.00 0.00 -0.38 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 3.38 0.00 1.61 7.64 -1.04 -4.69 113.62 120.53 2jua n SER 53 Ca 0.00 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2jua n SER 53 Cb 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 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 5.07 -0.20 0.10 0.23 0.00 -1.26 0.58 105.19 109.71 2jua n GLY 54 Ca 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 0.21 1.98 -0.02 0.00 -2.00 -3.06 103.07 100.18 2jua h GLY 55 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 2jua h GLY 55 CO 0.00 0.47 -0.41 0.50 0.00 0.00 0.00 176.54 177.10 2jua h LYS 56 N 0.05 0.02 0.38 4.80 1.57 -0.25 -3.05 116.57 120.08 2jua h LYS 56 Ca -0.25 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2jua h LYS 56 Cb 2.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 2jua h LYS 56 CO 0.14 0.43 -0.18 1.25 -0.57 0.00 0.00 179.45 180.52 2jua h LEU 57 N 0.02 -0.43 -0.04 2.94 6.46 -1.62 -2.73 115.31 119.91 2jua h LEU 57 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jua h LEU 57 Cb 0.73 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 2jua h LEU 57 CO 0.05 -0.02 0.37 0.00 -0.62 0.00 0.00 178.44 178.22 2jua n GLN 58 N -4.93 0.01 0.02 1.25 3.00 -1.16 -0.01 117.38 115.55 2jua n GLN 58 Ca -0.06 0.18 -0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2jua n GLN 58 Cb 0.20 -1.88 -0.04 0.00 0.00 0.00 0.00 30.24 28.51 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2jua h GLU 59 N 0.00 -0.15 0.00 -1.09 4.81 -1.37 -3.21 114.58 113.56 2jua h GLU 59 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2jua h GLU 59 Cb 0.73 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2jua h GLU 59 CO 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 2jua n MET 60 N -4.86 0.10 -0.29 1.92 0.00 0.98 -2.82 117.12 112.15 2jua n MET 60 Ca -0.05 0.33 0.04 0.00 0.00 0.00 0.00 57.70 58.03 2jua n MET 60 Cb 0.17 -1.69 0.18 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 0.72 -0.28 3.17 1.85 -1.25 1.57 114.93 120.71 2jua h MET 61 Ca 0.00 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 2jua h MET 61 Cb 0.32 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 2jua h MET 61 CO 0.00 0.47 0.08 0.87 -0.40 0.00 0.00 176.91 177.93 2jua h LYS 62 N 0.74 0.44 -0.43 0.39 1.57 -1.66 -0.38 116.57 117.24 2jua h LYS 62 Ca 0.41 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 2jua h LYS 62 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2jua h LYS 62 CO -0.28 0.51 -0.20 1.49 -0.57 0.00 0.00 179.45 180.41 2jua h GLU 63 N 0.28 0.84 -0.76 3.15 4.57 -1.35 -2.30 114.58 119.01 2jua h GLU 63 Ca 0.09 -0.33 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2jua h GLU 63 Cb 0.26 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 2jua h GLU 63 CO -0.00 0.96 0.49 0.35 -1.18 0.00 0.00 179.01 179.63 2jua h PHE 64 N 0.73 0.91 0.00 0.92 3.04 0.25 0.49 116.94 123.28 2jua h PHE 64 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2jua h PHE 64 Cb 0.72 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2jua h PHE 64 CO 0.04 0.53 0.00 0.94 -2.02 0.00 0.00 178.31 177.80 2jua n GLN 65 N -4.61 0.03 -0.01 1.11 0.00 -0.18 -2.42 117.38 111.30 2jua n GLN 65 Ca 0.08 0.12 -0.17 0.00 -0.00 0.00 0.00 57.00 57.04 2jua n GLN 65 Cb 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.69 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2jua h GLN 66 N 0.00 0.20 0.22 3.69 7.50 -0.35 -3.00 115.11 123.37 2jua h GLN 66 Ca 0.00 -0.28 -0.01 0.00 0.50 0.00 0.00 58.65 58.86 2jua h GLN 66 Cb 0.36 0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2jua h GLN 66 CO 0.00 1.07 -0.11 0.28 -1.50 0.00 0.00 178.83 178.57 2jua h VAL 67 N -0.53 0.85 -0.95 -0.54 2.07 -1.42 0.11 116.25 115.84 2jua h VAL 67 Ca -0.07 -0.63 0.29 0.00 0.82 0.00 0.00 66.70 67.11 2jua h VAL 67 Cb 1.26 1.21 -0.15 0.00 -1.52 0.00 0.00 31.29 32.08 2jua h VAL 67 CO 0.08 0.14 0.35 0.25 0.02 0.00 0.00 177.57 178.41 2jua h LEU 68 N -0.63 0.15 0.00 2.57 7.12 -1.60 1.23 115.31 124.15 2jua h LEU 68 Ca -0.03 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2jua h LEU 68 Cb 0.45 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 2jua h LEU 68 CO 0.05 -0.21 -0.39 -0.78 -0.13 0.00 0.00 178.44 176.98 2jua h ASP 69 N 0.20 0.00 0.00 1.25 1.82 -1.37 -3.18 116.42 115.14 2jua h ASP 69 Ca 0.65 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.29 2jua h ASP 69 Cb 1.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.46 2jua h ASP 69 CO -0.69 0.09 0.00 1.21 -1.61 0.00 0.00 179.24 178.24 2jua n GLU 70 N -3.00 0.00 -0.42 0.28 4.07 0.41 -3.76 120.64 118.23 2jua n GLU 70 Ca 0.02 0.25 0.36 0.00 -0.06 0.00 0.00 57.16 57.73 2jua n GLU 70 Cb 0.58 -0.84 0.69 0.00 -0.06 0.00 0.00 31.44 31.81 2jua n GLU 70 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2jua h ILE 71 N 0.00 0.29 -0.95 6.31 2.04 -1.40 0.55 117.51 124.35 2jua h ILE 71 Ca 0.00 -0.04 0.26 0.00 1.00 0.00 0.00 64.86 66.09 2jua h ILE 71 Cb 0.00 0.18 -0.14 0.00 -0.74 0.00 0.00 36.82 36.12 2jua h ILE 71 CO 0.00 0.02 0.46 0.50 0.00 0.00 0.00 178.15 179.13 2jua h LYS 72 N 0.10 0.35 -0.30 2.37 1.63 -1.64 0.49 116.57 119.58 2jua h LYS 72 Ca 0.70 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 60.37 2jua h LYS 72 Cb 2.45 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.99 2jua h LYS 72 CO -0.17 0.23 -0.24 0.37 -3.45 0.00 0.00 179.45 176.20 2jua h GLN 73 N 0.36 0.70 -0.85 1.90 5.75 0.02 -2.68 115.11 120.30 2jua h GLN 73 Ca 0.64 -0.35 0.25 0.00 -0.15 0.00 0.00 58.65 59.04 2jua h GLN 73 Cb 1.32 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 2jua h GLN 73 CO -0.58 0.95 0.70 1.96 -2.65 0.00 0.00 178.83 179.22 2jua h GLN 74 N 0.45 0.00 -1.81 1.69 1.08 -0.02 -1.48 115.11 115.03 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 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2jua h GLN 74 CO 0.06 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.22 2jua n LEU 75 N -3.99 0.89 0.00 1.46 7.99 -0.88 -4.09 117.00 118.39 2jua n LEU 75 Ca 0.18 -0.43 -0.00 0.00 -0.01 0.00 0.00 56.01 55.74 2jua n LEU 75 Cb 1.00 -0.16 -0.00 0.00 -0.11 0.00 0.00 43.42 44.14 2jua n LEU 75 CO 0.35 0.16 0.37 -0.61 -1.51 0.00 0.00 177.39 176.14 2jua h GLN 76 N 1.89 -0.01 -2.05 3.23 5.75 -1.51 -3.47 115.11 118.94 2jua h GLN 76 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2jua h GLN 76 Cb 0.25 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 28.59 2jua h GLN 76 CO 0.00 -0.01 0.09 0.20 -2.65 0.00 0.00 178.83 176.46 2jua s GLY 77 N -1.27 -0.54 0.00 2.39 0.00 -1.26 -4.91 107.32 101.73 2jua s GLY 77 Ca -0.00 2.03 0.00 0.00 0.00 0.00 0.00 44.72 46.75 2jua s GLY 77 CO 0.01 1.80 0.00 0.61 0.00 0.00 0.00 173.10 175.51 2jua n GLY 78 N 2.94 3.03 1.54 0.20 0.00 -1.26 -4.77 105.19 106.86 2jua n GLY 78 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.20 3.36 0.00 1.61 9.92 -1.26 -4.42 116.55 125.96 2jua n ASP 79 Ca 0.00 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 2jua n ASP 79 Cb 0.00 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 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 -0.22 0.00 0.08 -2.24 4.13 -1.26 0.15 115.26 115.90 2jua n ASN 80 Ca 0.27 0.30 -0.21 0.00 1.68 0.00 0.00 54.58 56.62 2jua n ASN 80 Cb 1.03 -0.30 -0.15 0.00 -1.54 0.00 0.00 39.78 38.82 2jua n ASN 80 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2jua h SER 81 N 0.00 0.61 -0.85 6.41 0.02 -1.87 -3.25 113.55 114.63 2jua h SER 81 Ca 0.00 -0.92 0.02 0.00 -0.84 0.00 0.00 61.79 60.04 2jua h SER 81 Cb 0.24 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2jua h SER 81 CO 0.00 1.49 0.56 -0.07 -1.14 0.00 0.00 176.83 177.66 2jua h LEU 82 N -0.17 0.95 -1.23 5.07 4.07 -0.52 0.12 115.31 123.61 2jua h LEU 82 Ca -0.17 -0.02 0.18 0.00 0.08 0.00 0.00 57.88 57.95 2jua h LEU 82 Cb 1.79 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.27 2jua h LEU 82 CO 0.19 0.68 0.90 -0.74 -1.08 0.00 0.00 178.44 178.39 2jua h HIS 83 N 1.12 0.00 0.02 1.13 2.76 -1.55 3.55 115.15 122.18 2jua h HIS 83 Ca 0.32 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 58.13 2jua h HIS 83 Cb -0.09 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 2jua h HIS 83 CO -0.02 0.00 -2.25 0.27 -1.30 0.00 0.00 177.93 174.64 2jua n ASN 84 N -3.22 1.09 -0.07 3.26 0.23 0.37 -3.95 115.26 112.96 2jua n ASN 84 Ca 0.13 0.06 -0.22 0.00 -0.53 0.00 0.00 54.58 54.02 2jua n ASN 84 Cb 1.11 0.10 -0.12 0.00 -2.08 0.00 0.00 39.78 38.78 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2jua h VAL 85 N 0.01 0.84 -1.01 3.53 2.07 0.20 -3.35 116.25 118.54 2jua h VAL 85 Ca -0.50 -2.22 0.22 0.00 0.82 0.00 0.00 66.70 65.02 2jua h VAL 85 Cb 2.07 2.29 -0.11 0.00 -1.52 0.00 0.00 31.29 34.02 2jua h VAL 85 CO 0.01 0.46 0.61 -0.74 0.02 0.00 0.00 177.57 177.93 2jua h HIS 86 N -0.72 0.98 0.00 1.57 -0.00 0.58 1.15 115.15 118.72 2jua h HIS 86 Ca -0.37 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2jua h HIS 86 Cb 1.50 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2jua h HIS 86 CO 0.09 0.14 -0.00 1.49 -0.00 0.00 0.00 177.93 179.65 2jua h GLU 87 N 0.63 0.00 0.32 5.26 4.81 -1.68 -2.33 114.58 121.59 2jua h GLU 87 Ca 0.61 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.82 2jua h GLU 87 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2jua h GLU 87 CO -0.41 0.00 -0.16 -0.91 -0.73 0.00 0.00 179.01 176.80 2jua h ASN 88 N 0.00 -0.38 -0.97 1.04 4.21 0.13 -1.90 115.58 117.70 2jua h ASN 88 Ca -0.00 0.01 0.28 0.00 1.21 0.00 0.00 56.30 57.80 2jua h ASN 88 Cb 0.00 0.10 -0.14 0.00 -1.12 0.00 0.00 38.32 37.16 2jua h ASN 88 CO 0.00 -0.27 0.51 0.40 -1.29 0.00 0.00 177.43 176.78 2jua h ILE 89 N -0.44 0.38 0.45 2.81 2.04 -1.40 1.15 117.51 122.50 2jua h ILE 89 Ca -0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2jua h ILE 89 Cb 0.34 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2jua h ILE 89 CO 0.07 0.07 -0.32 0.50 0.00 0.00 0.00 178.15 178.47 2jua h LYS 90 N 0.38 -0.71 0.04 2.37 3.64 -1.36 -0.22 116.57 120.71 2jua h LYS 90 Ca 0.67 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 60.09 2jua h LYS 90 Cb 1.41 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2jua h LYS 90 CO -0.57 -0.47 -0.02 0.93 -2.27 0.00 0.00 179.45 177.05 2jua h GLU 91 N -0.73 -0.05 -0.09 1.90 4.39 -0.89 -1.59 114.58 117.52 2jua h GLU 91 Ca -0.06 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2jua h GLU 91 Cb 0.60 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2jua h GLU 91 CO 0.04 0.15 0.56 0.82 -1.16 0.00 0.00 179.01 179.41 2jua h ILE 92 N -0.24 0.04 0.30 3.13 1.08 0.13 -0.87 117.51 121.09 2jua h ILE 92 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2jua h ILE 92 Cb 0.22 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2jua h ILE 92 CO 0.01 0.00 -0.14 0.15 -0.69 0.00 0.00 178.15 177.47 2jua h PHE 93 N 0.00 -0.37 0.00 1.37 3.04 0.01 -3.10 116.94 117.89 2jua h PHE 93 Ca 0.04 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2jua h PHE 93 Cb 1.15 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.79 2jua h PHE 93 CO 0.00 -0.23 0.00 0.72 -2.02 0.00 0.00 178.31 176.78 2jua n HIS 94 N -4.14 0.00 0.21 0.41 8.25 -0.41 -1.75 115.22 117.78 2jua n HIS 94 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 2jua n HIS 94 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2jua n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jua n HIS 95 N -0.76 0.70 -0.12 4.41 8.25 -0.70 -3.84 115.22 123.15 2jua n HIS 95 Ca 0.05 0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 57.47 2jua n HIS 95 Cb 0.02 -0.79 -0.09 0.00 1.12 0.00 0.00 29.99 30.25 2jua n HIS 95 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2jua n LEU 96 N -2.45 1.93 0.00 2.41 0.00 -0.72 -3.94 117.00 114.22 2jua n LEU 96 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 56.01 56.38 2jua n LEU 96 Cb 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 43.42 43.10 2jua n LEU 96 CO 0.40 0.35 0.42 1.21 0.00 0.00 0.00 177.39 179.77 2jua n GLU 97 N -4.34 0.00 0.00 1.96 2.13 -1.18 0.29 120.64 119.50 2jua n GLU 97 Ca -0.42 0.26 -0.21 0.00 0.66 0.00 0.00 57.16 57.45 2jua n GLU 97 Cb 0.76 -1.62 -0.14 0.00 0.27 0.00 0.00 31.44 30.72 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 0.23 0.00 5.31 4.81 -1.70 0.22 114.58 123.45 2jua h GLU 98 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2jua h GLU 98 Cb 0.24 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2jua h GLU 98 CO 0.00 1.19 0.02 1.28 -0.73 0.00 0.00 179.01 180.77 2jua n LEU 99 N -3.91 0.02 -0.04 1.64 4.77 0.14 -1.73 117.00 117.90 2jua n LEU 99 Ca -0.26 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 2jua n LEU 99 Cb 0.90 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2jua n LEU 99 CO 0.40 -0.50 -0.77 1.33 -1.33 0.00 0.00 177.39 176.52 2jua n VAL 100 N -1.51 0.47 -0.06 4.08 0.24 -1.17 -4.60 118.33 115.77 2jua n VAL 100 Ca -0.00 -0.18 0.02 0.00 -2.04 0.00 0.00 64.34 62.14 2jua n VAL 100 Cb 0.02 -0.79 0.35 0.00 -1.47 0.00 0.00 33.84 31.96 2jua n VAL 100 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2jua h HIS 101 N 0.00 0.65 0.00 6.34 -0.00 -0.42 -3.48 115.15 118.23 2jua h HIS 101 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2jua h HIS 101 Cb 1.29 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2jua h HIS 101 CO 0.01 0.43 0.00 2.89 -0.00 0.00 0.00 177.93 181.26