#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jua h TYR 2 N 0.00 -0.58 0.00 3.17 -1.99 -2.00 -3.46 116.97 112.12 2jua h TYR 2 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2jua h TYR 2 Cb 0.00 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.00 2jua h TYR 2 CO 0.00 -0.15 0.00 0.41 -0.00 0.00 0.00 178.16 178.42 2jua n GLY 3 N -1.12 0.62 0.20 3.88 0.00 -1.26 -4.95 105.19 102.56 2jua n GLY 3 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 4.68 0.66 -0.93 1.61 1.57 -2.02 -3.20 116.57 118.93 2jua h LYS 4 Ca 0.00 -0.62 0.21 0.00 -1.87 0.00 0.00 60.65 58.37 2jua h LYS 4 Cb 0.00 0.16 -0.17 0.00 0.08 0.00 0.00 32.23 32.29 2jua h LYS 4 CO 0.00 1.23 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.92 2jua h LEU 5 N 0.41 -0.68 -1.13 2.94 -0.00 -1.94 3.05 115.31 117.96 2jua h LEU 5 Ca -0.08 0.27 0.37 0.00 -0.00 0.00 0.00 57.88 58.44 2jua h LEU 5 Cb 1.53 0.52 -0.15 0.00 -0.00 0.00 0.00 40.66 42.57 2jua h LEU 5 CO 0.17 -0.31 0.64 -0.55 -0.00 0.00 0.00 178.44 178.40 2jua h ASN 6 N 0.02 0.40 -0.34 -0.43 7.08 -1.91 4.10 115.58 124.49 2jua h ASN 6 Ca 0.50 0.19 -0.06 0.00 -3.08 0.00 0.00 56.30 53.84 2jua h ASN 6 Cb 0.87 0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 37.25 2jua h ASN 6 CO -0.92 -0.20 0.01 -0.78 -2.08 0.00 0.00 177.43 173.47 2jua h ASP 7 N 0.19 0.66 0.01 6.14 3.58 0.54 0.26 116.42 127.80 2jua h ASP 7 Ca 0.78 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.95 2jua h ASP 7 Cb 2.03 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 42.92 2jua h ASP 7 CO -0.58 0.72 -0.54 -0.07 -2.88 0.00 0.00 179.24 175.89 2jua h LEU 8 N 0.66 0.46 0.93 2.28 -0.00 0.76 -2.13 115.31 118.27 2jua h LEU 8 Ca 0.14 -0.78 -0.05 0.00 -0.00 0.00 0.00 57.88 57.19 2jua h LEU 8 Cb 0.39 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2jua h LEU 8 CO 0.01 1.18 -0.45 0.25 -0.00 0.00 0.00 178.44 179.44 2jua h LEU 9 N -0.21 -1.06 0.43 1.67 6.46 0.19 0.30 115.31 123.08 2jua h LEU 9 Ca -0.07 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2jua h LEU 9 Cb 1.27 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.48 2jua h LEU 9 CO 0.11 -0.75 -0.24 -0.33 -0.62 0.00 0.00 178.44 176.60 2jua h GLU 10 N -1.27 -0.61 -0.17 1.25 5.08 -0.63 0.94 114.58 119.18 2jua h GLU 10 Ca -0.13 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jua h GLU 10 Cb 0.96 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 2jua h GLU 10 CO 0.21 -0.40 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.14 2jua h ASP 11 N -0.63 -0.75 0.08 1.42 5.19 -1.39 0.49 116.42 120.84 2jua h ASP 11 Ca -0.05 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2jua h ASP 11 Cb 0.51 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 2jua h ASP 11 CO 0.06 -0.28 -0.17 0.25 -3.12 0.00 0.00 179.24 175.98 2jua h LEU 12 N -0.28 -0.47 -2.30 1.55 5.85 -0.23 0.76 115.31 120.19 2jua h LEU 12 Ca 0.11 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jua h LEU 12 Cb 0.45 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2jua h LEU 12 CO -0.33 -0.24 0.00 0.06 -0.34 0.00 0.00 178.44 177.59 2jua h GLN 13 N -0.32 0.00 0.15 1.25 3.07 -0.27 -2.80 115.11 116.19 2jua h GLN 13 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 2jua h GLN 13 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2jua h GLN 13 CO -0.10 0.00 -0.07 1.49 0.09 0.00 0.00 178.83 180.23 2jua h GLU 14 N 0.00 -0.19 -1.41 0.06 4.81 0.23 -0.77 114.58 117.30 2jua h GLU 14 Ca 0.00 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.65 2jua h GLU 14 Cb 0.13 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2jua h GLU 14 CO 0.00 -0.13 1.10 -0.39 -0.73 0.00 0.00 179.01 178.86 2jua h VAL 15 N -0.90 0.19 0.00 0.32 -1.51 -1.02 4.18 116.25 117.50 2jua h VAL 15 Ca -0.02 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.24 2jua h VAL 15 Cb 0.15 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 29.49 2jua h VAL 15 CO 0.03 0.00 -1.04 0.25 -1.23 0.00 0.00 177.57 175.58 2jua h LEU 16 N 0.00 0.00 -0.17 4.19 5.85 -1.45 -2.73 115.31 121.00 2jua h LEU 16 Ca 0.67 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 59.19 2jua h LEU 16 Cb 2.86 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.87 2jua h LEU 16 CO -0.01 0.97 -0.93 0.50 -0.34 0.00 0.00 178.44 178.64 2jua h LYS 17 N 0.00 0.03 -0.28 1.25 3.11 0.94 -1.56 116.57 120.07 2jua h LYS 17 Ca -0.04 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2jua h LYS 17 Cb 1.77 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.02 2jua h LYS 17 CO 0.12 0.93 0.00 0.72 -2.81 0.00 0.00 179.45 178.41 2jua n HIS 18 N -3.48 0.36 -0.04 1.91 8.25 0.11 -4.17 115.22 118.16 2jua n HIS 18 Ca -0.01 -0.18 -0.08 0.00 -0.26 0.00 0.00 57.72 57.19 2jua n HIS 18 Cb 0.87 0.00 -0.03 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 0.57 0.44 -0.59 1.59 0.31 -1.03 -4.18 118.33 115.44 2jua n VAL 19 Ca 0.15 -0.13 0.48 0.00 -0.01 0.00 0.00 64.34 64.83 2jua n VAL 19 Cb 0.36 -1.36 0.80 0.00 -0.91 0.00 0.00 33.84 32.74 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 -0.20 0.00 0.36 4.52 -0.26 -1.45 0.91 115.58 119.46 2jua h ASN 20 Ca -0.19 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.25 2jua h ASN 20 Cb 1.20 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.41 2jua h ASN 20 CO -0.09 0.00 -1.89 0.00 -1.06 0.00 0.00 177.43 174.39 2jua n GLN 21 N -4.01 0.65 -1.07 0.81 1.13 -1.26 -4.11 117.38 109.51 2jua n GLN 21 Ca 0.38 0.19 -0.14 0.00 -1.94 0.00 0.00 57.00 55.50 2jua n GLN 21 Cb 1.77 -1.71 0.23 0.00 0.11 0.00 0.00 30.24 30.64 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 -2.93 2.51 -2.97 1.08 8.25 0.28 -4.97 115.22 116.47 2jua n HIS 22 Ca -0.21 -1.55 -0.35 0.00 -0.26 0.00 0.00 57.72 55.35 2jua n HIS 22 Cb 1.06 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.17 3.50 0.13 4.41 -0.11 0.82 -4.51 118.94 120.00 2jua s TRP 23 Ca 0.54 1.48 -0.02 0.00 1.22 0.00 0.00 56.10 59.32 2jua s TRP 23 Cb 0.45 -2.72 0.01 0.00 -1.50 0.00 0.00 33.47 29.71 2jua s TRP 23 CO 0.10 0.13 0.20 1.04 -4.62 0.00 0.00 176.95 173.80 2jua n GLN 24 N 0.06 0.29 -2.78 5.86 1.13 -1.26 -4.94 117.38 115.74 2jua n GLN 24 Ca 0.02 -0.93 -0.10 0.00 -1.94 0.00 0.00 57.00 54.06 2jua n GLN 24 Cb 0.52 0.95 0.05 0.00 0.11 0.00 0.00 30.24 31.87 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jua n GLY 25 N -0.20 -0.17 0.45 1.08 0.00 -1.26 -4.72 105.19 100.37 2jua n GLY 25 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.17 -0.81 0.19 -0.02 0.00 -1.26 -4.88 105.19 97.24 2jua n GLY 26 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.48 0.84 0.10 1.61 7.27 -1.26 -3.08 117.38 123.34 2jua n GLN 27 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 2jua n GLN 27 Cb 0.00 -1.16 -0.01 0.00 2.41 0.00 0.00 30.24 31.48 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 0.06 0.00 0.12 3.69 2.10 -1.96 -3.35 116.57 117.23 2jua h LYS 28 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2jua h LYS 28 Cb 0.16 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.52 2jua h LYS 28 CO 0.00 0.18 -1.06 -0.91 -2.00 0.00 0.00 179.45 175.66 2jua h ASN 29 N 0.00 0.73 -1.52 7.07 4.21 -1.89 -3.21 115.58 120.97 2jua h ASN 29 Ca -0.06 -0.85 0.46 0.00 1.21 0.00 0.00 56.30 57.07 2jua h ASN 29 Cb 1.27 -0.23 -0.08 0.00 -1.12 0.00 0.00 38.32 38.16 2jua h ASN 29 CO 0.03 1.51 1.07 0.80 -1.29 0.00 0.00 177.43 179.54 2jua n MET 30 N -3.93 -0.01 -0.09 0.81 0.00 -1.26 0.96 117.12 113.60 2jua n MET 30 Ca -0.13 0.97 -0.17 0.00 -0.00 0.00 0.00 57.70 58.37 2jua n MET 30 Cb 0.91 -2.13 -0.10 0.00 0.00 0.00 0.00 33.22 31.90 2jua n MET 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2jua h ASN 31 N 0.00 0.00 -0.64 6.12 -0.26 -1.77 -1.89 115.58 117.14 2jua h ASN 31 Ca 0.79 -0.53 0.02 0.00 -0.56 0.00 0.00 56.30 56.02 2jua h ASN 31 Cb 2.97 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 40.20 2jua h ASN 31 CO -0.14 1.24 0.42 0.11 -1.06 0.00 0.00 177.43 178.01 2jua h LYS 32 N -1.00 0.77 0.20 0.81 1.57 -0.14 -2.26 116.57 116.51 2jua h LYS 32 Ca -0.21 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.20 2jua h LYS 32 Cb 1.07 -0.17 0.03 0.00 0.08 0.00 0.00 32.23 33.24 2jua h LYS 32 CO -0.13 0.51 -1.39 -0.39 -0.57 0.00 0.00 179.45 177.48 2jua h VAL 33 N 0.80 1.29 -1.20 0.50 -1.51 0.45 -3.18 116.25 113.40 2jua h VAL 33 Ca 0.25 -2.63 0.36 0.00 -1.23 0.00 0.00 66.70 63.46 2jua h VAL 33 Cb 0.02 2.91 -0.11 0.00 -2.13 0.00 0.00 31.29 31.97 2jua h VAL 33 CO -0.06 0.79 0.77 -0.78 -1.23 0.00 0.00 177.57 177.05 2jua h ASP 34 N 0.20 0.33 0.64 4.19 3.58 -0.73 1.26 116.42 125.88 2jua h ASP 34 Ca -0.23 0.12 -0.23 0.00 0.42 0.00 0.00 57.03 57.11 2jua h ASP 34 Cb 2.07 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 43.20 2jua h ASP 34 CO 0.26 -0.08 -1.03 -0.74 -2.88 0.00 0.00 179.24 174.77 2jua h HIS 35 N 0.21 0.35 -0.45 0.28 2.76 -1.54 -1.76 115.15 115.00 2jua h HIS 35 Ca 0.73 -0.23 0.06 0.00 -2.20 0.00 0.00 60.37 58.73 2jua h HIS 35 Cb 2.13 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 31.01 2jua h HIS 35 CO -0.00 1.11 0.13 0.45 -1.30 0.00 0.00 177.93 178.32 2jua h HIS 36 N 0.09 0.23 0.03 5.26 3.86 0.16 -2.77 115.15 122.02 2jua h HIS 36 Ca -0.07 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2jua h HIS 36 Cb 1.72 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.15 2jua h HIS 36 CO 0.04 0.07 -0.02 -0.07 0.86 0.00 0.00 177.93 178.81 2jua h LEU 37 N 0.29 -0.04 -0.63 2.43 3.38 -1.45 -3.18 115.31 116.11 2jua h LEU 37 Ca 0.21 -0.38 0.26 0.00 0.09 0.00 0.00 57.88 58.06 2jua h LEU 37 Cb 0.23 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2jua h LEU 37 CO -0.24 0.63 0.35 0.00 0.09 0.00 0.00 178.44 179.27 2jua n GLN 38 N -4.75 -0.03 -0.00 1.13 6.02 -0.66 0.31 117.38 119.39 2jua n GLN 38 Ca -0.05 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.59 2jua n GLN 38 Cb 0.20 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.87 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 0.55 0.62 1.08 -0.73 -1.57 -3.06 115.58 112.46 2jua h ASN 39 Ca 0.51 -0.74 -0.03 0.00 1.87 0.00 0.00 56.30 57.91 2jua h ASN 39 Cb 1.40 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 39.82 2jua h ASN 39 CO -0.44 1.22 -0.30 0.58 -0.37 0.00 0.00 177.43 178.13 2jua h VAL 40 N -0.06 0.00 0.00 2.57 2.07 0.48 -1.43 116.25 119.88 2jua h VAL 40 Ca -0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2jua h VAL 40 Cb 1.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2jua h VAL 40 CO 0.12 0.00 0.55 0.40 0.02 0.00 0.00 177.57 178.66 2jua h ILE 41 N -0.98 0.00 0.00 4.57 2.04 -1.04 2.80 117.51 124.89 2jua h ILE 41 Ca -0.08 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.55 2jua h ILE 41 Cb 0.63 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2jua h ILE 41 CO 0.14 0.00 -1.33 -0.33 0.00 0.00 0.00 178.15 176.63 2jua h GLU 42 N 0.00 0.00 0.00 2.37 5.08 -1.17 -3.22 114.58 117.64 2jua h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jua h GLU 42 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jua h GLU 42 CO 0.00 0.57 0.00 -3.47 -1.00 0.00 0.00 179.01 175.11 2jua n ASP 43 N -3.11 0.00 -0.08 1.42 -0.08 0.93 -3.02 116.55 112.62 2jua n ASP 43 Ca -0.09 0.38 -0.10 0.00 -1.51 0.00 0.00 54.79 53.47 2jua n ASP 43 Cb 0.94 -0.46 -0.05 0.00 2.34 0.00 0.00 41.12 43.89 2jua n ASP 43 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2jua h ILE 44 N 0.00 0.36 -0.58 5.18 2.04 -1.50 -3.01 117.51 120.01 2jua h ILE 44 Ca 0.00 -1.42 0.17 0.00 1.00 0.00 0.00 64.86 64.61 2jua h ILE 44 Cb 0.43 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2jua h ILE 44 CO 0.00 0.12 0.46 1.12 0.00 0.00 0.00 178.15 179.86 2jua h HIS 45 N -1.00 0.00 -0.01 1.37 2.07 -1.64 1.87 115.15 117.81 2jua h HIS 45 Ca -0.10 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 2jua h HIS 45 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 2jua h HIS 45 CO -0.07 0.00 -0.08 -3.47 -3.07 0.00 0.00 177.93 171.24 2jua n ASP 46 N -4.13 0.70 0.15 3.10 2.03 -1.17 -3.46 116.55 113.77 2jua n ASP 46 Ca 0.11 -0.92 0.04 0.00 0.52 0.00 0.00 54.79 54.54 2jua n ASP 46 Cb 0.69 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.98 0.00 -0.00 -0.67 3.04 0.31 2.23 116.94 122.83 2jua h PHE 47 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jua h PHE 47 Cb 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2jua h PHE 47 CO 0.00 0.42 -0.04 0.00 -2.02 0.00 0.00 178.31 176.67 2jua n MET 48 N -3.19 0.98 0.00 1.11 0.00 -1.21 -3.86 117.12 110.96 2jua n MET 48 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.43 2jua n MET 48 Cb 0.71 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.43 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 -0.76 0.01 0.00 3.17 10.64 -1.15 -4.73 117.38 124.56 2jua n GLN 49 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 2jua n GLN 49 Cb 0.23 -0.58 0.01 0.00 -0.86 0.00 0.00 30.24 29.04 2jua n GLN 49 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jua n GLY 50 N 1.81 -0.01 0.00 2.61 0.00 0.75 -4.79 105.19 105.57 2jua n GLY 50 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.86 2.31 0.00 -0.02 0.00 -1.26 -4.43 105.19 100.93 2jua n GLY 51 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.76 2.46 -0.02 0.00 -1.25 -4.86 105.19 102.28 2jua n GLY 52 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.27 0.33 1.61 7.64 -1.26 -4.69 113.62 117.52 2jua n SER 53 Ca 0.00 0.80 0.21 0.00 1.01 0.00 0.00 58.87 60.89 2jua n SER 53 Cb 0.00 -0.62 1.13 0.00 -1.01 0.00 0.00 64.21 63.71 2jua n SER 53 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jua h GLY 54 N 2.51 0.00 2.00 0.23 0.00 -1.97 0.55 103.07 106.38 2jua h GLY 54 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jua h GLY 54 CO 0.52 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.73 2jua h GLY 55 N 0.00 0.00 0.35 4.60 0.00 -2.00 -3.02 103.07 103.00 2jua h GLY 55 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2jua h GLY 55 CO -0.00 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 177.83 2jua h LYS 56 N 0.00 0.15 0.19 4.80 1.63 -0.18 -3.16 116.57 120.00 2jua h LYS 56 Ca 0.00 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2jua h LYS 56 Cb 0.78 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 2jua h LYS 56 CO 0.00 1.12 -0.25 1.25 -3.45 0.00 0.00 179.45 178.12 2jua h LEU 57 N -0.68 -0.70 -0.96 5.20 6.46 -1.55 0.19 115.31 123.27 2jua h LEU 57 Ca -0.07 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jua h LEU 57 Cb 1.32 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 2jua h LEU 57 CO 0.08 -0.36 0.18 0.00 -0.62 0.00 0.00 178.44 177.72 2jua n GLN 58 N -5.37 0.10 -0.03 1.25 3.00 -1.14 -0.34 117.38 114.84 2jua n GLN 58 Ca -0.08 0.57 -0.17 0.00 -0.01 0.00 0.00 57.00 57.31 2jua n GLN 58 Cb 0.28 -1.99 -0.07 0.00 0.00 0.00 0.00 30.24 28.46 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 0.80 0.03 -1.09 4.81 -0.59 -3.23 114.58 115.31 2jua h GLU 59 Ca 0.00 -0.63 -0.25 0.00 -0.13 0.00 0.00 59.36 58.35 2jua h GLU 59 Cb 0.36 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2jua h GLU 59 CO 0.00 1.24 -1.28 0.00 -0.73 0.00 0.00 179.01 178.24 2jua h MET 60 N 0.54 0.05 -1.18 1.92 -0.00 -0.62 -3.26 114.93 112.37 2jua h MET 60 Ca -0.04 -0.09 0.34 0.00 -0.00 0.00 0.00 59.70 59.91 2jua h MET 60 Cb 1.36 0.03 -0.05 0.00 -0.00 0.00 0.00 31.60 32.95 2jua h MET 60 CO 0.15 0.90 0.92 0.00 -0.00 0.00 0.00 176.91 178.88 2jua h MET 61 N 0.01 0.00 0.24 -0.10 -0.00 -1.27 0.47 114.93 114.29 2jua h MET 61 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.58 2jua h MET 61 Cb 1.88 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.46 2jua h MET 61 CO 0.13 0.00 -0.28 0.87 -0.00 0.00 0.00 176.91 177.63 2jua h LYS 62 N 0.00 -0.54 0.04 -0.10 1.57 -1.64 0.25 116.57 116.15 2jua h LYS 62 Ca 0.56 0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 59.10 2jua h LYS 62 Cb 2.40 0.12 0.02 0.00 0.08 0.00 0.00 32.23 34.85 2jua h LYS 62 CO -0.01 -0.36 -1.12 0.93 -0.57 0.00 0.00 179.45 178.32 2jua h GLU 63 N -0.56 0.67 0.30 3.15 5.08 -0.62 -2.91 114.58 119.69 2jua h GLU 63 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 2jua h GLU 63 Cb 0.53 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2jua h GLU 63 CO -0.08 1.35 -0.52 0.35 -1.00 0.00 0.00 179.01 179.10 2jua h PHE 64 N 0.35 -1.49 0.00 4.33 3.04 -0.07 0.66 116.94 123.75 2jua h PHE 64 Ca -0.15 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2jua h PHE 64 Cb 1.78 0.61 0.00 0.00 2.56 0.00 0.00 35.95 40.90 2jua h PHE 64 CO 0.11 -0.64 0.00 0.94 -2.02 0.00 0.00 178.31 176.70 2jua n GLN 65 N -5.52 0.08 0.14 1.11 -0.06 0.85 -1.85 117.38 112.13 2jua n GLN 65 Ca -0.10 0.44 -0.23 0.00 -2.00 0.00 0.00 57.00 55.10 2jua n GLN 65 Cb 0.44 -1.70 -0.16 0.00 -4.06 0.00 0.00 30.24 24.76 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 0.49 -0.14 3.69 1.08 -0.71 -3.12 115.11 116.40 2jua h GLN 66 Ca 0.00 -0.84 -0.17 0.00 -1.45 0.00 0.00 58.65 56.19 2jua h GLN 66 Cb 0.17 0.31 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2jua h GLN 66 CO 0.00 1.40 -0.56 0.28 -0.95 0.00 0.00 178.83 179.00 2jua h VAL 67 N 0.13 1.33 -0.57 -0.54 2.07 -0.55 -1.86 116.25 116.27 2jua h VAL 67 Ca -0.24 -1.83 0.11 0.00 0.82 0.00 0.00 66.70 65.57 2jua h VAL 67 Cb 2.14 2.05 -0.11 0.00 -1.52 0.00 0.00 31.29 33.86 2jua h VAL 67 CO 0.26 0.56 -0.12 0.25 0.02 0.00 0.00 177.57 178.54 2jua h LEU 68 N 0.29 -0.49 -0.05 2.57 7.12 -1.45 0.42 115.31 123.72 2jua h LEU 68 Ca -0.03 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.15 2jua h LEU 68 Cb 1.19 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 2jua h LEU 68 CO 0.12 -0.18 -0.12 -0.67 -0.13 0.00 0.00 178.44 177.46 2jua n ASP 69 N -5.38 0.20 -0.04 1.25 2.03 -1.18 -3.22 116.55 110.21 2jua n ASP 69 Ca 0.06 0.02 -0.01 0.00 0.52 0.00 0.00 54.79 55.39 2jua n ASP 69 Cb 0.30 -0.23 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2jua n ASP 69 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2jua h GLU 70 N 0.13 0.00 -0.97 -0.67 4.57 0.64 -3.33 114.58 114.95 2jua h GLU 70 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2jua h GLU 70 Cb 0.44 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 2jua h GLU 70 CO 0.00 0.00 0.63 0.82 -1.18 0.00 0.00 179.01 179.28 2jua h ILE 71 N -0.69 1.06 -0.91 2.32 2.04 -1.33 -1.74 117.51 118.27 2jua h ILE 71 Ca 0.00 -0.38 0.24 0.00 1.00 0.00 0.00 64.86 65.72 2jua h ILE 71 Cb 0.10 -0.14 -0.16 0.00 -0.74 0.00 0.00 36.82 35.88 2jua h ILE 71 CO 0.00 0.20 0.08 0.50 0.00 0.00 0.00 178.15 178.93 2jua h LYS 72 N 1.10 0.07 -0.31 2.37 3.64 -1.70 1.27 116.57 123.01 2jua h LYS 72 Ca 0.42 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.72 2jua h LYS 72 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2jua h LYS 72 CO -0.17 0.05 -0.16 1.96 -2.27 0.00 0.00 179.45 178.86 2jua h GLN 73 N 0.07 0.55 -0.60 1.90 4.20 -1.42 -2.48 115.11 117.33 2jua h GLN 73 Ca 0.55 -0.18 0.07 0.00 0.06 0.00 0.00 58.65 59.15 2jua h GLN 73 Cb 1.10 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 2jua h GLN 73 CO -0.80 0.69 0.40 1.96 -0.67 0.00 0.00 178.83 180.41 2jua h GLN 74 N 0.50 0.51 -0.54 1.46 1.08 0.17 -0.09 115.11 118.19 2jua h GLN 74 Ca 0.09 -0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.41 2jua h GLN 74 Cb 0.56 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2jua h GLN 74 CO 0.04 0.34 0.61 -0.07 -0.95 0.00 0.00 178.83 178.79 2jua h LEU 75 N 0.53 0.00 -0.50 1.46 -0.00 -0.91 0.37 115.31 116.26 2jua h LEU 75 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2jua h LEU 75 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2jua h LEU 75 CO -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.36 2jua n GLN 76 N -3.59 0.42 0.00 1.13 1.13 -0.05 -4.58 117.38 111.84 2jua n GLN 76 Ca 0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2jua n GLN 76 Cb 0.81 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 30.06 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jua n GLY 77 N 0.10 4.33 1.23 1.08 0.00 0.13 -5.02 105.19 107.05 2jua n GLY 77 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 4.59 4.25 2.12 -0.02 0.00 -1.26 -4.66 105.19 110.20 2jua n GLY 78 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.65 6.54 0.00 1.61 5.75 -1.26 -4.58 116.55 123.96 2jua n ASP 79 Ca 0.30 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 2jua n ASP 79 Cb 1.06 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2jua n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2jua n ASN 80 N 0.46 0.00 0.09 -1.12 4.05 -1.26 0.76 115.26 118.23 2jua n ASN 80 Ca 0.38 0.29 -0.20 0.00 0.45 0.00 0.00 54.58 55.50 2jua n ASN 80 Cb 0.58 -0.29 -0.12 0.00 1.23 0.00 0.00 39.78 41.18 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 2jua h SER 81 N 0.00 0.79 -1.00 1.20 0.87 -1.85 -3.12 113.55 110.45 2jua h SER 81 Ca 0.00 -0.72 0.03 0.00 -1.23 0.00 0.00 61.79 59.87 2jua h SER 81 Cb 0.32 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 2jua h SER 81 CO 0.00 1.53 0.65 -0.07 -0.53 0.00 0.00 176.83 178.41 2jua h LEU 82 N 0.26 1.10 -1.84 2.23 4.07 0.11 0.24 115.31 121.48 2jua h LEU 82 Ca -0.16 -0.01 0.38 0.00 0.08 0.00 0.00 57.88 58.17 2jua h LEU 82 Cb 1.86 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 43.29 2jua h LEU 82 CO 0.22 0.76 1.05 -0.74 -1.08 0.00 0.00 178.44 178.65 2jua h HIS 83 N 1.28 0.00 0.03 1.13 -0.00 -1.51 4.65 115.15 120.72 2jua h HIS 83 Ca 0.39 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.42 2jua h HIS 83 Cb -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.34 2jua h HIS 83 CO -0.00 0.00 -2.08 0.09 -0.00 0.00 0.00 177.93 175.94 2jua n ASN 84 N -3.90 1.12 -0.09 3.26 3.02 0.73 -3.99 115.26 115.41 2jua n ASN 84 Ca 0.29 0.17 -0.22 0.00 -0.03 0.00 0.00 54.58 54.78 2jua n ASN 84 Cb 1.46 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 40.49 2jua n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jua n VAL 85 N -3.10 1.58 0.26 2.41 0.31 0.31 -3.87 118.33 116.24 2jua n VAL 85 Ca -0.29 -0.18 0.12 0.00 -0.01 0.00 0.00 64.34 63.97 2jua n VAL 85 Cb 1.07 -1.96 0.62 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.79 0.00 0.00 3.52 -0.00 0.84 1.31 115.15 120.04 2jua h HIS 86 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 2jua h HIS 86 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.89 2jua h HIS 86 CO 0.08 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.40 2jua n GLU 87 N -2.54 0.35 -0.04 5.26 -0.58 -1.21 -3.81 120.64 118.06 2jua n GLU 87 Ca -0.02 0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2jua n GLU 87 Cb 0.35 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2jua n GLU 87 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jua h ASN 88 N 0.00 0.00 -0.91 1.62 2.35 0.15 -3.33 115.58 115.46 2jua h ASN 88 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 55.96 2jua h ASN 88 Cb 0.28 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.48 2jua h ASN 88 CO 0.00 0.42 -0.14 -0.38 -1.65 0.00 0.00 177.43 175.68 2jua n ILE 89 N -4.30 -0.38 -0.10 2.81 5.41 -1.25 0.16 119.36 121.70 2jua n ILE 89 Ca -0.00 2.06 -0.04 0.00 1.00 0.00 0.00 62.75 65.78 2jua n ILE 89 Cb 0.00 -2.91 -0.03 0.00 -0.71 0.00 0.00 39.64 35.99 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 -0.04 -0.06 0.38 3.11 -1.69 2.07 116.57 120.34 2jua h LYS 90 Ca 0.48 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.24 2jua h LYS 90 Cb 0.84 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2jua h LYS 90 CO -0.91 -0.02 -0.28 1.49 -2.81 0.00 0.00 179.45 176.92 2jua h GLU 91 N -0.04 0.30 0.07 1.90 4.81 -0.92 -2.55 114.58 118.15 2jua h GLU 91 Ca 0.04 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2jua h GLU 91 Cb 0.14 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2jua h GLU 91 CO -0.25 0.88 -0.43 0.82 -0.73 0.00 0.00 179.01 179.30 2jua h ILE 92 N -0.22 0.00 -0.47 2.32 1.08 0.20 0.62 117.51 121.05 2jua h ILE 92 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2jua h ILE 92 Cb 0.93 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 2jua h ILE 92 CO 0.06 0.00 -0.15 0.15 -0.69 0.00 0.00 178.15 177.52 2jua h PHE 93 N -0.59 -0.33 0.00 1.37 3.57 0.33 1.02 116.94 122.30 2jua h PHE 93 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2jua h PHE 93 Cb 0.60 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2jua h PHE 93 CO -0.44 -0.23 0.00 1.58 -2.23 0.00 0.00 178.31 176.98 2jua n HIS 94 N -5.36 0.00 0.12 0.41 -0.00 -0.80 -2.59 115.22 107.00 2jua n HIS 94 Ca 0.04 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.99 2jua n HIS 94 Cb 0.27 -0.18 -0.15 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 0.85 0.45 1.57 2.76 0.69 -3.30 115.15 118.16 2jua h HIS 95 Ca 0.00 -0.62 -0.02 0.00 -2.20 0.00 0.00 60.37 57.53 2jua h HIS 95 Cb 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2jua h HIS 95 CO 0.00 1.56 -0.21 1.25 -1.30 0.00 0.00 177.93 179.22 2jua h LEU 96 N 0.13 -0.51 0.00 0.26 6.46 -1.25 0.10 115.31 120.51 2jua h LEU 96 Ca -0.27 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 2jua h LEU 96 Cb 2.13 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 42.19 2jua h LEU 96 CO 0.24 -0.25 0.18 1.21 -0.62 0.00 0.00 178.44 179.20 2jua n GLU 97 N -5.29 0.00 -0.01 1.25 0.00 -1.24 0.12 120.64 115.47 2jua n GLU 97 Ca -0.11 0.16 -0.17 0.00 0.00 0.00 0.00 57.16 57.05 2jua n GLU 97 Cb 0.29 -1.68 -0.14 0.00 0.00 0.00 0.00 31.44 29.91 2jua n GLU 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2jua n GLU 98 N -1.08 0.71 0.00 5.31 4.07 0.01 -1.82 120.64 127.83 2jua n GLU 98 Ca 0.00 0.27 0.11 0.00 -0.06 0.00 0.00 57.16 57.47 2jua n GLU 98 Cb 0.18 -1.73 0.64 0.00 -0.06 0.00 0.00 31.44 30.47 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2jua n LEU 99 N -3.31 0.00 0.00 4.31 4.77 0.32 -3.10 117.00 120.00 2jua n LEU 99 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2jua n LEU 99 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2jua n LEU 99 CO 0.43 0.00 -0.43 1.33 -1.33 0.00 0.00 177.39 177.39 2jua n VAL 100 N -0.92 0.00 0.08 4.08 0.24 -1.14 -4.63 118.33 116.04 2jua n VAL 100 Ca 0.16 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.49 2jua n VAL 100 Cb 0.07 -0.32 0.15 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.59 0.19 0.46 6.34 -0.00 -0.76 -4.94 115.22 114.92 2jua n HIS 101 Ca 0.00 0.10 0.05 0.00 0.46 0.00 0.00 57.72 58.34 2jua n HIS 101 Cb 0.25 -0.43 0.05 0.00 -0.12 0.00 0.00 29.99 29.73 2jua n HIS 101 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69