#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 -4.90 117.16 112.30 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 -0.49 0.00 0.00 -0.38 0.00 0.00 39.34 38.47 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 -0.99 1.44 0.33 -7.48 0.00 -1.26 -4.97 105.19 92.26 2jua n GLY 3 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 0.03 -0.84 1.61 1.57 -2.02 0.53 116.57 117.46 2jua h LYS 4 Ca 0.00 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2jua h LYS 4 Cb 0.00 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.16 2jua h LYS 4 CO 0.00 0.02 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.47 2jua h LEU 5 N 0.03 -1.32 -1.17 2.94 -0.00 -1.96 2.51 115.31 116.34 2jua h LEU 5 Ca 0.73 0.28 0.41 0.00 -0.00 0.00 0.00 57.88 59.30 2jua h LEU 5 Cb 1.76 0.68 -0.12 0.00 -0.00 0.00 0.00 40.66 42.99 2jua h LEU 5 CO -0.82 -0.29 0.75 -0.46 -0.00 0.00 0.00 178.44 177.62 2jua n ASN 6 N -5.46 0.19 -0.10 -0.43 0.23 0.19 0.46 115.26 110.32 2jua n ASN 6 Ca 0.08 1.20 -0.12 0.00 -0.53 0.00 0.00 54.58 55.21 2jua n ASN 6 Cb 0.38 -0.59 -0.04 0.00 -2.08 0.00 0.00 39.78 37.46 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 0.70 -0.15 0.53 3.58 0.42 0.71 116.42 122.21 2jua h ASP 7 Ca 0.76 -0.42 -0.12 0.00 0.42 0.00 0.00 57.03 57.67 2jua h ASP 7 Cb 2.42 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.28 2jua h ASP 7 CO -0.41 0.96 -0.36 -0.07 -2.88 0.00 0.00 179.24 176.48 2jua h LEU 8 N 0.43 0.57 0.36 2.28 -0.00 1.02 -2.18 115.31 117.79 2jua h LEU 8 Ca 0.07 -0.57 -0.02 0.00 -0.00 0.00 0.00 57.88 57.36 2jua h LEU 8 Cb 0.71 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2jua h LEU 8 CO 0.05 1.04 -0.17 0.25 -0.00 0.00 0.00 178.44 179.61 2jua h LEU 9 N 0.13 -0.41 -0.25 1.67 6.46 0.28 0.26 115.31 123.45 2jua h LEU 9 Ca -0.00 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2jua h LEU 9 Cb 0.97 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.93 2jua h LEU 9 CO 0.08 -0.25 -0.43 -0.08 -0.62 0.00 0.00 178.44 177.15 2jua h GLU 10 N -0.58 -0.40 -0.39 1.25 4.57 0.31 0.39 114.58 119.74 2jua h GLU 10 Ca -0.05 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2jua h GLU 10 Cb 0.37 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 2jua h GLU 10 CO 0.08 -0.27 0.10 -0.44 -1.18 0.00 0.00 179.01 177.30 2jua h ASP 11 N -0.42 0.06 0.40 1.04 3.32 -1.46 0.23 116.42 119.61 2jua h ASP 11 Ca 0.10 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2jua h ASP 11 Cb 0.61 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2jua h ASP 11 CO -0.48 0.07 -0.29 0.25 -1.72 0.00 0.00 179.24 177.08 2jua h LEU 12 N 0.24 -0.73 -0.19 1.55 5.85 0.79 0.41 115.31 123.22 2jua h LEU 12 Ca 0.18 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2jua h LEU 12 Cb 0.20 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jua h LEU 12 CO -0.22 -0.44 0.00 0.00 -0.34 0.00 0.00 178.44 177.44 2jua n GLN 13 N -5.41 0.03 -0.06 1.25 10.64 0.12 -2.66 117.38 121.30 2jua n GLN 13 Ca -0.10 0.38 -0.02 0.00 -1.83 0.00 0.00 57.00 55.43 2jua n GLN 13 Cb 0.32 -1.58 -0.01 0.00 -0.86 0.00 0.00 30.24 28.11 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 0.00 -1.44 2.61 4.81 0.12 -2.95 114.58 117.73 2jua h GLU 14 Ca 0.00 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.65 2jua h GLU 14 Cb 0.17 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2jua h GLU 14 CO 0.00 0.00 1.01 -0.24 -0.73 0.00 0.00 179.01 179.05 2jua h VAL 15 N -0.99 0.25 -0.18 0.32 3.04 -0.91 4.08 116.25 121.86 2jua h VAL 15 Ca 0.00 -0.02 -0.10 0.00 -1.01 0.00 0.00 66.70 65.57 2jua h VAL 15 Cb 0.23 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2jua h VAL 15 CO 0.00 0.01 -0.33 0.25 -1.01 0.00 0.00 177.57 176.49 2jua h LEU 16 N 0.05 0.38 -0.04 3.16 5.85 -1.57 -2.65 115.31 120.49 2jua h LEU 16 Ca 0.73 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.28 2jua h LEU 16 Cb 2.72 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.65 2jua h LEU 16 CO -0.10 0.69 -0.07 0.50 -0.34 0.00 0.00 178.44 179.12 2jua h LYS 17 N 0.32 0.11 0.00 1.25 1.63 0.80 0.61 116.57 121.29 2jua h LYS 17 Ca 0.04 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2jua h LYS 17 Cb 0.74 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2jua h LYS 17 CO 0.06 0.64 0.00 0.72 -3.45 0.00 0.00 179.45 177.41 2jua n HIS 18 N -4.72 0.00 0.00 1.91 8.25 -0.50 -2.02 115.22 118.14 2jua n HIS 18 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2jua n HIS 18 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.58 0.00 -0.35 1.59 0.31 -0.95 -4.22 118.33 114.13 2jua n VAL 19 Ca 0.02 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.48 2jua n VAL 19 Cb 0.01 -0.40 0.33 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.77 0.02 4.52 -0.73 -0.27 -0.51 115.58 119.38 2jua h ASN 20 Ca 0.00 0.10 -0.35 0.00 1.87 0.00 0.00 56.30 57.92 2jua h ASN 20 Cb 0.56 -0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.07 2jua h ASN 20 CO 0.00 0.24 -1.98 0.00 -0.37 0.00 0.00 177.43 175.33 2jua n GLN 21 N -4.79 0.62 0.00 6.67 1.13 -1.26 -4.07 117.38 115.69 2jua n GLN 21 Ca 0.24 0.36 0.01 0.00 -1.94 0.00 0.00 57.00 55.67 2jua n GLN 21 Cb 0.61 -1.63 0.05 0.00 0.11 0.00 0.00 30.24 29.38 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jua n HIS 22 N -4.02 0.00 -2.21 1.08 8.25 -1.11 -4.72 115.22 112.49 2jua n HIS 22 Ca -0.41 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.71 2jua n HIS 22 Cb 0.86 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.98 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 -2.00 2.73 0.00 4.41 -0.11 -0.22 -4.55 118.94 119.21 2jua s TRP 23 Ca 0.03 1.55 0.00 0.00 1.22 0.00 0.00 56.10 58.90 2jua s TRP 23 Cb 0.01 -3.22 0.00 0.00 -1.50 0.00 0.00 33.47 28.76 2jua s TRP 23 CO 0.02 -1.44 0.00 0.94 -4.62 0.00 0.00 176.95 171.85 2jua n GLN 24 N -1.46 0.00 0.00 5.86 0.00 -1.26 -4.98 117.38 115.53 2jua n GLN 24 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 2jua n GLN 24 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 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 0.24 3.10 1.69 0.00 -1.26 -3.98 105.19 104.98 2jua n GLY 25 Ca 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 1.63 0.00 -0.02 0.00 -1.26 -4.95 107.32 102.72 2jua s GLY 26 Ca 0.00 -1.67 0.19 0.00 0.00 0.00 0.00 44.72 43.24 2jua s GLY 26 CO 0.00 0.57 1.56 -0.18 0.00 0.00 0.00 173.10 175.04 2jua n GLN 27 N 4.50 0.34 0.07 2.90 7.27 -1.26 -2.69 117.38 128.51 2jua n GLN 27 Ca -0.15 0.09 -0.22 0.00 0.07 0.00 0.00 57.00 56.78 2jua n GLN 27 Cb 0.44 -1.50 -0.15 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 0.37 -0.50 3.69 2.10 -1.92 -3.30 116.57 117.00 2jua h LYS 28 Ca 0.00 -0.63 0.09 0.00 -2.00 0.00 0.00 60.65 58.11 2jua h LYS 28 Cb 0.13 0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 31.67 2jua h LYS 28 CO 0.00 1.28 0.34 -0.91 -2.00 0.00 0.00 179.45 178.16 2jua h ASN 29 N 0.10 0.26 -1.31 7.07 -0.26 -1.89 -0.18 115.58 119.37 2jua h ASN 29 Ca -0.34 0.00 0.38 0.00 -0.56 0.00 0.00 56.30 55.79 2jua h ASN 29 Cb 2.09 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 39.24 2jua h ASN 29 CO 0.17 0.16 0.95 -0.03 -1.06 0.00 0.00 177.43 177.62 2jua h MET 30 N 0.29 0.00 0.04 0.81 4.05 -1.66 1.30 114.93 119.76 2jua h MET 30 Ca 0.23 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.28 2jua h MET 30 Cb 0.52 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 2jua h MET 30 CO -0.05 0.00 -2.11 0.09 0.23 0.00 0.00 176.91 175.07 2jua n ASN 31 N -4.11 1.99 0.29 1.39 5.03 -0.10 -2.67 115.26 117.08 2jua n ASN 31 Ca 0.28 0.18 0.18 0.00 0.87 0.00 0.00 54.58 56.09 2jua n ASN 31 Cb 1.38 -0.74 0.86 0.00 -1.02 0.00 0.00 39.78 40.25 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 -0.40 0.00 0.08 3.52 1.79 -0.80 -2.84 116.57 117.92 2jua h LYS 32 Ca -0.52 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.61 2jua h LYS 32 Cb 1.76 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.38 2jua h LYS 32 CO -0.14 0.04 -1.91 1.33 -1.08 0.00 0.00 179.45 177.70 2jua n VAL 33 N -3.25 1.69 -0.34 0.50 0.24 0.43 -3.86 118.33 113.74 2jua n VAL 33 Ca -0.01 -0.49 0.15 0.00 -2.04 0.00 0.00 64.34 61.94 2jua n VAL 33 Cb 0.22 -1.78 0.34 0.00 -1.47 0.00 0.00 33.84 31.15 2jua n VAL 33 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2jua h ASP 34 N -0.23 0.66 -0.72 -1.34 3.58 -1.29 0.29 116.42 117.37 2jua h ASP 34 Ca -0.44 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.09 2jua h ASP 34 Cb 1.84 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.87 2jua h ASP 34 CO -0.02 0.16 0.26 0.45 -2.88 0.00 0.00 179.24 177.21 2jua h HIS 35 N 0.62 1.12 0.51 0.28 3.86 -1.66 0.21 115.15 120.10 2jua h HIS 35 Ca 0.60 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.69 2jua h HIS 35 Cb 1.05 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 2jua h HIS 35 CO -0.03 0.87 -0.28 0.45 0.86 0.00 0.00 177.93 179.80 2jua h HIS 36 N 1.04 -0.74 0.62 2.45 3.86 -0.56 -2.59 115.15 119.23 2jua h HIS 36 Ca 0.24 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 2jua h HIS 36 Cb 0.25 0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.98 2jua h HIS 36 CO 0.02 -0.44 -0.30 -0.07 0.86 0.00 0.00 177.93 178.00 2jua h LEU 37 N -0.74 -0.70 -1.43 2.43 3.38 -1.28 -2.56 115.31 114.40 2jua h LEU 37 Ca -0.06 -0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.32 2jua h LEU 37 Cb 0.59 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2jua h LEU 37 CO 0.08 -0.34 1.01 0.00 0.09 0.00 0.00 178.44 179.28 2jua n GLN 38 N -5.36 -0.01 0.11 1.13 6.02 0.74 0.38 117.38 120.39 2jua n GLN 38 Ca -0.12 0.88 -0.19 0.00 -0.01 0.00 0.00 57.00 57.56 2jua n GLN 38 Cb 0.35 -1.95 -0.15 0.00 1.02 0.00 0.00 30.24 29.52 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 0.56 0.16 1.08 -0.73 -1.08 -3.23 115.58 112.34 2jua h ASN 39 Ca 0.72 -0.65 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 2jua h ASN 39 Cb 2.78 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 41.19 2jua h ASN 39 CO -0.10 1.52 -0.08 0.58 -0.37 0.00 0.00 177.43 178.99 2jua h VAL 40 N 0.10 0.00 -0.80 2.57 2.07 0.74 -2.79 116.25 118.14 2jua h VAL 40 Ca -0.21 -0.20 0.34 0.00 0.82 0.00 0.00 66.70 67.44 2jua h VAL 40 Cb 2.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.68 2jua h VAL 40 CO 0.21 0.00 0.43 -0.38 0.02 0.00 0.00 177.57 177.86 2jua n ILE 41 N -3.15 -0.34 -0.10 4.57 5.41 -0.41 0.44 119.36 125.77 2jua n ILE 41 Ca -0.03 1.63 -0.03 0.00 1.00 0.00 0.00 62.75 65.32 2jua n ILE 41 Cb 0.09 -2.65 0.20 0.00 -0.71 0.00 0.00 39.64 36.57 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 0.77 -0.60 0.38 4.81 -1.56 -2.36 114.58 116.02 2jua h GLU 42 Ca 0.68 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.75 2jua h GLU 42 Cb 1.80 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 2jua h GLU 42 CO -0.62 0.73 0.40 0.22 -0.73 0.00 0.00 179.01 179.01 2jua h ASP 43 N 0.73 0.69 0.05 1.04 1.82 0.93 -2.24 116.42 119.45 2jua h ASP 43 Ca 0.16 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2jua h ASP 43 Cb 0.35 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2jua h ASP 43 CO 0.01 0.50 -0.03 0.40 -1.61 0.00 0.00 179.24 178.51 2jua h ILE 44 N 0.82 0.97 -0.70 2.25 2.04 -1.03 -0.70 117.51 121.15 2jua h ILE 44 Ca 0.22 -0.06 0.20 0.00 1.00 0.00 0.00 64.86 66.23 2jua h ILE 44 Cb -0.10 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2jua h ILE 44 CO -0.05 0.01 0.57 0.45 0.00 0.00 0.00 178.15 179.14 2jua h HIS 45 N -0.09 0.00 -0.00 1.37 3.86 -1.08 1.95 115.15 121.15 2jua h HIS 45 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jua h HIS 45 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2jua h HIS 45 CO -0.07 0.00 -0.21 -0.25 0.86 0.00 0.00 177.93 178.26 2jua n ASP 46 N -4.05 0.38 0.20 2.45 9.92 -0.34 -3.38 116.55 121.73 2jua n ASP 46 Ca 0.14 -0.18 0.12 0.00 -0.53 0.00 0.00 54.79 54.34 2jua n ASP 46 Cb 0.83 -0.08 0.17 0.00 -0.64 0.00 0.00 41.12 41.40 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 0.26 0.00 0.01 1.24 3.57 0.39 0.26 116.94 122.67 2jua h PHE 47 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2jua h PHE 47 Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2jua h PHE 47 CO 0.00 0.00 -0.17 0.52 -2.23 0.00 0.00 178.31 176.43 2jua h MET 48 N 0.00 0.02 0.19 1.11 0.00 -1.55 -3.36 114.93 111.35 2jua h MET 48 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 59.70 59.35 2jua h MET 48 Cb 0.98 0.01 0.02 0.00 0.00 0.00 0.00 31.60 32.62 2jua h MET 48 CO 0.00 1.02 -1.43 -0.56 0.00 0.00 0.00 176.91 175.94 2jua h GLN 49 N -0.95 0.41 0.00 1.72 -0.00 -1.68 -3.18 115.11 111.42 2jua h GLN 49 Ca -0.04 -0.70 0.00 0.00 -0.00 0.00 0.00 58.65 57.91 2jua h GLN 49 Cb 1.07 0.26 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 2jua h GLN 49 CO -0.01 1.32 0.14 0.41 -0.00 0.00 0.00 178.83 180.70 2jua n GLY 50 N 1.66 -0.12 4.72 0.06 0.00 0.92 -4.63 105.19 107.81 2jua n GLY 50 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.69 0.00 -0.02 0.00 -1.20 -3.40 105.19 100.27 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 -1.73 1.97 -0.02 0.00 -1.26 -5.03 105.19 99.13 2jua n GLY 52 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 5.32 0.00 1.61 7.64 -1.22 -4.57 113.62 122.41 2jua n SER 53 Ca 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.37 2jua n SER 53 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 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 2.29 -0.15 0.08 0.23 0.00 -1.26 0.24 105.19 106.63 2jua n GLY 54 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.04 0.10 -0.02 0.00 -1.26 -3.47 105.19 98.35 2jua n GLY 55 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jua n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 56 N 0.00 0.00 0.35 1.61 1.79 0.28 -3.35 116.57 117.25 2jua h LYS 56 Ca -0.28 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 2jua h LYS 56 Cb 1.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.58 2jua h LYS 56 CO 0.07 0.33 -0.17 1.25 -1.08 0.00 0.00 179.45 179.85 2jua h LEU 57 N 0.00 -0.40 0.00 2.94 6.46 -1.48 -2.72 115.31 120.12 2jua h LEU 57 Ca -0.15 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2jua h LEU 57 Cb 1.60 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 2jua h LEU 57 CO 0.05 -0.03 0.16 0.00 -0.62 0.00 0.00 178.44 177.99 2jua n GLN 58 N -4.65 0.00 -0.07 1.25 1.13 -1.23 -0.14 117.38 113.67 2jua n GLN 58 Ca -0.06 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 2jua n GLN 58 Cb 0.19 -1.66 -0.12 0.00 0.11 0.00 0.00 30.24 28.76 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jua h GLU 59 N 0.00 -0.00 0.00 -1.09 4.57 -1.61 -3.28 114.58 113.17 2jua h GLU 59 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2jua h GLU 59 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2jua h GLU 59 CO 0.00 0.94 -0.21 0.00 -1.18 0.00 0.00 179.01 178.56 2jua h MET 60 N -1.00 0.00 -0.94 1.92 -0.00 -0.56 -3.06 114.93 111.29 2jua h MET 60 Ca -0.00 0.00 0.38 0.00 -0.00 0.00 0.00 59.70 60.08 2jua h MET 60 Cb 0.94 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.37 2jua h MET 60 CO 0.00 0.21 0.46 -0.12 -0.00 0.00 0.00 176.91 177.47 2jua n MET 61 N -3.37 -0.06 0.29 -0.10 0.00 -0.89 0.12 117.12 113.11 2jua n MET 61 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 57.70 58.86 2jua n MET 61 Cb 0.43 -2.31 -0.08 0.00 0.00 0.00 0.00 33.22 31.26 2jua n MET 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2jua h LYS 62 N 0.00 -0.71 -0.27 2.12 1.57 -1.71 -2.26 116.57 115.31 2jua h LYS 62 Ca 0.78 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.67 2jua h LYS 62 Cb 2.03 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 34.42 2jua h LYS 62 CO -0.73 -0.40 -0.25 1.49 -0.57 0.00 0.00 179.45 178.98 2jua h GLU 63 N -0.99 -0.24 -0.83 3.15 4.57 0.75 0.94 114.58 121.94 2jua h GLU 63 Ca -0.08 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.29 2jua h GLU 63 Cb 0.64 0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.12 2jua h GLU 63 CO 0.12 -0.16 -0.16 0.35 -1.18 0.00 0.00 179.01 177.98 2jua h PHE 64 N -0.24 -0.36 0.00 0.92 3.04 -0.22 2.23 116.94 122.30 2jua h PHE 64 Ca 0.15 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2jua h PHE 64 Cb 0.47 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.27 2jua h PHE 64 CO -0.42 -0.35 0.00 0.94 -2.02 0.00 0.00 178.31 176.47 2jua n GLN 65 N -5.51 0.00 0.05 1.11 -0.06 -0.00 -2.52 117.38 110.46 2jua n GLN 65 Ca 0.13 0.14 -0.07 0.00 -2.00 0.00 0.00 57.00 55.20 2jua n GLN 65 Cb 0.45 -1.50 -0.12 0.00 -4.06 0.00 0.00 30.24 25.01 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 0.00 3.69 1.08 0.59 -3.26 115.11 117.21 2jua h GLN 66 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2jua h GLN 66 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2jua h GLN 66 CO 0.00 0.92 -0.36 0.28 -0.95 0.00 0.00 178.83 178.72 2jua h VAL 67 N 0.00 1.45 -0.99 -0.54 2.07 -1.13 -3.08 116.25 114.03 2jua h VAL 67 Ca -0.04 -2.22 0.28 0.00 0.82 0.00 0.00 66.70 65.53 2jua h VAL 67 Cb 1.78 2.87 -0.18 0.00 -1.52 0.00 0.00 31.29 34.23 2jua h VAL 67 CO 0.12 0.49 0.04 -0.11 0.02 0.00 0.00 177.57 178.13 2jua n LEU 68 N -4.57 -0.10 -0.01 2.57 -0.00 -1.05 0.11 117.00 113.96 2jua n LEU 68 Ca -0.16 1.67 -0.12 0.00 -0.00 0.00 0.00 56.01 57.40 2jua n LEU 68 Cb 0.51 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 2jua n LEU 68 CO 0.28 -1.70 0.39 -0.78 -0.00 0.00 0.00 177.39 175.58 2jua h ASP 69 N 0.00 0.73 0.71 1.96 1.82 -1.67 -2.32 116.42 117.65 2jua h ASP 69 Ca 0.61 -0.43 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 2jua h ASP 69 Cb 1.26 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 41.07 2jua h ASP 69 CO -0.92 1.18 -0.34 -0.33 -1.61 0.00 0.00 179.24 177.22 2jua h GLU 70 N 0.47 -0.91 -0.47 0.28 4.39 0.90 -2.80 114.58 116.44 2jua h GLU 70 Ca -0.01 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.82 2jua h GLU 70 Cb 1.22 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 2jua h GLU 70 CO 0.12 -0.58 0.31 0.82 -1.16 0.00 0.00 179.01 178.53 2jua h ILE 71 N -1.13 0.95 -0.52 3.13 2.04 -1.10 -1.60 117.51 119.27 2jua h ILE 71 Ca -0.10 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2jua h ILE 71 Cb 0.75 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2jua h ILE 71 CO 0.16 0.06 0.19 0.50 0.00 0.00 0.00 178.15 179.06 2jua h LYS 72 N 0.35 0.35 0.00 2.37 3.64 -1.16 0.15 116.57 122.27 2jua h LYS 72 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2jua h LYS 72 Cb 0.36 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jua h LYS 72 CO -0.05 0.23 -0.04 0.37 -2.27 0.00 0.00 179.45 177.69 2jua h GLN 73 N 0.36 0.00 -0.26 1.90 5.75 -1.04 -1.58 115.11 120.24 2jua h GLN 73 Ca 0.25 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 2jua h GLN 73 Cb 0.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2jua h GLN 73 CO -0.26 0.04 -0.29 1.96 -2.65 0.00 0.00 178.83 177.63 2jua h GLN 74 N 0.00 0.52 0.00 1.69 1.08 -0.63 -2.57 115.11 115.21 2jua h GLN 74 Ca -0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2jua h GLN 74 Cb 0.08 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2jua h GLN 74 CO 0.01 0.76 0.21 1.28 -0.95 0.00 0.00 178.83 180.14 2jua n LEU 75 N -4.09 0.00 -3.30 1.46 7.99 -0.60 -3.04 117.00 115.42 2jua n LEU 75 Ca -0.01 0.23 -0.38 0.00 -0.01 0.00 0.00 56.01 55.84 2jua n LEU 75 Cb 0.44 -0.23 -0.03 0.00 -0.11 0.00 0.00 43.42 43.49 2jua n LEU 75 CO 0.43 -0.23 2.99 0.00 -1.51 0.00 0.00 177.39 179.07 2jua n GLN 76 N -1.20 3.92 -1.26 3.23 6.02 -0.97 -4.60 117.38 122.51 2jua n GLN 76 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.42 2jua n GLN 76 Cb 0.21 -2.71 0.00 0.00 1.02 0.00 0.00 30.24 28.77 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jua n GLY 77 N 2.89 -0.66 1.51 1.08 0.00 -1.17 -4.81 105.19 104.02 2jua n GLY 77 Ca 0.72 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.96 1.76 -0.02 0.00 -1.26 -3.89 105.19 103.74 2jua n GLY 78 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 1.44 5.36 0.00 1.61 8.00 -1.26 -4.50 116.55 127.19 2jua n ASP 79 Ca 0.00 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2jua n ASP 79 Cb 0.39 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 2jua n ASP 79 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jua n ASN 80 N 0.78 0.00 -0.00 -2.24 0.23 -1.25 0.60 115.26 113.37 2jua n ASN 80 Ca 0.27 0.14 -0.20 0.00 -0.53 0.00 0.00 54.58 54.26 2jua n ASN 80 Cb 1.08 -0.14 -0.14 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.32 -0.79 0.53 0.02 -1.87 -3.30 113.55 108.46 2jua h SER 81 Ca 0.00 -0.85 0.06 0.00 -0.84 0.00 0.00 61.79 60.16 2jua h SER 81 Cb 0.21 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 2jua h SER 81 CO 0.00 1.50 0.51 -0.07 -1.14 0.00 0.00 176.83 177.64 2jua h LEU 82 N -0.46 0.76 -1.48 5.07 4.07 -0.08 0.21 115.31 123.40 2jua h LEU 82 Ca -0.25 0.00 0.28 0.00 0.08 0.00 0.00 57.88 57.99 2jua h LEU 82 Cb 1.61 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 43.15 2jua h LEU 82 CO 0.04 0.50 0.99 -0.74 -1.08 0.00 0.00 178.44 178.15 2jua h HIS 83 N 0.87 0.00 0.04 1.13 2.76 -1.58 4.82 115.15 123.19 2jua h HIS 83 Ca 0.33 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 58.14 2jua h HIS 83 Cb 0.20 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 2jua h HIS 83 CO -0.00 0.00 -2.17 0.09 -1.30 0.00 0.00 177.93 174.55 2jua n ASN 84 N -3.50 1.46 -0.09 3.26 3.02 0.70 -3.82 115.26 116.28 2jua n ASN 84 Ca 0.21 0.10 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2jua n ASN 84 Cb 1.30 -0.24 -0.12 0.00 -0.61 0.00 0.00 39.78 40.11 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2jua h VAL 85 N 0.02 0.88 -0.11 2.41 2.07 0.16 -3.33 116.25 118.36 2jua h VAL 85 Ca -0.47 -2.20 0.03 0.00 0.82 0.00 0.00 66.70 64.88 2jua h VAL 85 Cb 2.03 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2jua h VAL 85 CO 0.02 0.39 0.32 -0.74 0.02 0.00 0.00 177.57 177.58 2jua h HIS 86 N -0.85 0.00 0.00 1.57 -0.00 0.87 0.88 115.15 117.62 2jua h HIS 86 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2jua h HIS 86 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.82 2jua h HIS 86 CO 0.10 0.00 0.00 1.49 -0.00 0.00 0.00 177.93 179.52 2jua h GLU 87 N 0.00 0.00 0.20 5.26 4.81 -1.64 -3.22 114.58 119.99 2jua h GLU 87 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jua h GLU 87 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2jua h GLU 87 CO -0.00 0.00 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.27 2jua h ASN 88 N 0.00 -0.23 -0.92 1.04 2.35 0.63 -3.08 115.58 115.38 2jua h ASN 88 Ca 0.00 -0.22 0.17 0.00 -0.55 0.00 0.00 56.30 55.71 2jua h ASN 88 Cb 0.54 0.06 -0.17 0.00 0.05 0.00 0.00 38.32 38.81 2jua h ASN 88 CO 0.00 0.30 -0.26 -0.38 -1.65 0.00 0.00 177.43 175.44 2jua n ILE 89 N -4.95 -0.41 0.21 2.81 2.08 -1.22 0.23 119.36 118.12 2jua n ILE 89 Ca -0.06 2.11 -0.16 0.00 0.56 0.00 0.00 62.75 65.19 2jua n ILE 89 Cb 0.22 -2.89 -0.09 0.00 -0.75 0.00 0.00 39.64 36.13 2jua n ILE 89 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2jua h LYS 90 N 0.00 -0.82 0.27 0.38 3.64 -1.64 0.29 116.57 118.69 2jua h LYS 90 Ca 0.41 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2jua h LYS 90 Cb 0.64 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2jua h LYS 90 CO -0.94 -0.55 -0.13 0.93 -2.27 0.00 0.00 179.45 176.50 2jua h GLU 91 N -0.85 -0.35 -0.12 1.90 5.08 -0.42 -1.59 114.58 118.23 2jua h GLU 91 Ca -0.04 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jua h GLU 91 Cb 0.77 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jua h GLU 91 CO -0.13 -0.10 0.57 0.82 -1.00 0.00 0.00 179.01 179.16 2jua h ILE 92 N -0.55 0.05 0.34 3.13 1.08 0.30 -1.32 117.51 120.54 2jua h ILE 92 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2jua h ILE 92 Cb 0.41 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 2jua h ILE 92 CO 0.06 0.00 -0.16 0.15 -0.69 0.00 0.00 178.15 177.51 2jua h PHE 93 N 0.00 -0.43 0.00 1.37 3.04 0.62 -2.81 116.94 118.73 2jua h PHE 93 Ca 0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2jua h PHE 93 Cb 1.19 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.84 2jua h PHE 93 CO 0.00 -0.27 0.00 1.58 -2.02 0.00 0.00 178.31 177.60 2jua n HIS 94 N -3.74 0.00 0.07 0.41 -0.00 -0.54 -1.46 115.22 109.96 2jua n HIS 94 Ca -0.06 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.18 2jua n HIS 94 Cb 0.18 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.01 2jua n HIS 94 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jua n HIS 95 N -0.77 0.95 -0.08 1.57 8.25 -0.95 -3.72 115.22 120.48 2jua n HIS 95 Ca 0.04 0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.70 2jua n HIS 95 Cb 0.02 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.07 2jua n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jua h LEU 96 N 0.00 0.00 -0.44 2.41 6.46 -1.23 -3.30 115.31 119.21 2jua h LEU 96 Ca -0.08 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2jua h LEU 96 Cb 1.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2jua h LEU 96 CO 0.02 0.95 0.40 1.21 -0.62 0.00 0.00 178.44 180.40 2jua n GLU 97 N -4.59 0.05 0.03 1.25 2.13 -1.20 0.28 120.64 118.59 2jua n GLU 97 Ca -0.14 0.45 -0.09 0.00 0.66 0.00 0.00 57.16 58.04 2jua n GLU 97 Cb 0.36 -2.06 -0.13 0.00 0.27 0.00 0.00 31.44 29.88 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 0.05 -0.05 5.31 4.22 -1.64 -2.34 114.58 120.13 2jua h GLU 98 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2jua h GLU 98 Cb 0.81 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jua h GLU 98 CO 0.00 0.84 0.00 1.28 -2.18 0.00 0.00 179.01 178.95 2jua n LEU 99 N -3.26 0.69 -0.01 1.64 4.77 0.80 -3.77 117.00 117.86 2jua n LEU 99 Ca -0.09 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.61 2jua n LEU 99 Cb 1.00 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.04 2jua n LEU 99 CO 0.47 0.14 -0.59 1.33 -1.33 0.00 0.00 177.39 177.40 2jua n VAL 100 N -0.37 0.19 0.21 4.08 0.24 -1.05 -4.61 118.33 117.02 2jua n VAL 100 Ca 0.17 -0.11 0.07 0.00 -2.04 0.00 0.00 64.34 62.43 2jua n VAL 100 Cb 0.19 -0.87 0.46 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.00 -0.02 6.34 -0.00 -1.52 -3.49 115.15 116.46 2jua h HIS 101 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2jua h HIS 101 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2jua h HIS 101 CO 0.00 0.30 0.00 0.54 -0.00 0.00 0.00 177.93 178.77