#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr s SER 2 N 0.00 6.51 0.01 1.61 0.01 -1.26 -5.03 113.70 115.55 2khr s SER 2 Ca 0.00 2.63 -0.19 0.00 1.31 0.00 0.00 55.95 59.71 2khr s SER 2 Cb 0.00 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.63 2khr s SER 2 CO 0.00 -0.71 0.41 -1.38 0.41 0.00 0.00 173.24 171.97 2khr s HIS 3 N -1.23 -0.29 -0.11 2.43 0.00 -1.26 -5.07 115.29 109.76 2khr s HIS 3 Ca 0.54 0.37 -0.13 0.00 -3.00 0.00 0.00 55.06 52.84 2khr s HIS 3 Cb -0.38 0.20 -0.05 0.00 -4.00 0.00 0.00 32.58 28.35 2khr s HIS 3 CO 0.49 -0.51 -0.25 -1.33 -1.00 0.00 0.00 174.74 172.14 2khr n MET 4 N 0.86 0.39 -1.74 -0.38 0.00 -1.26 -5.03 117.12 109.96 2khr n MET 4 Ca -0.20 0.16 -0.24 0.00 0.00 0.00 0.00 57.70 57.41 2khr n MET 4 Cb 0.58 -1.18 0.17 0.00 0.00 0.00 0.00 33.22 32.79 2khr n MET 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2khr n SER 5 N -4.15 0.25 -3.64 7.83 3.41 -1.26 -5.12 113.62 110.94 2khr n SER 5 Ca -0.14 -1.50 -0.12 0.00 -0.26 0.00 0.00 58.87 56.85 2khr n SER 5 Cb 0.43 -0.83 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 2khr n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2khr s THR 6 N -3.37 -0.00 -0.16 6.66 -1.32 -1.26 -5.15 115.64 111.03 2khr s THR 6 Ca 0.64 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.13 2khr s THR 6 Cb -0.02 -0.95 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2khr s THR 6 CO 0.44 0.00 -0.20 0.21 -2.21 0.00 0.00 174.62 172.87 2khr s ASN 7 N 0.67 3.06 0.21 8.08 2.47 -1.26 -5.04 114.94 123.14 2khr s ASN 7 Ca -0.02 -0.62 -0.09 0.00 0.42 0.00 0.00 52.86 52.55 2khr s ASN 7 Cb -0.05 -1.43 0.26 0.00 -1.45 0.00 0.00 41.25 38.57 2khr s ASN 7 CO -0.04 0.02 1.79 1.55 -3.72 0.00 0.00 177.10 176.70 2khr h PRO 8 N 7.76 0.59 -3.93 0.43 0.13 -2.02 -3.41 132.00 131.56 2khr h PRO 8 Ca -0.41 -0.04 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 2khr h PRO 8 Cb 1.15 -0.13 -0.38 0.00 0.13 0.00 0.00 31.00 31.77 2khr h PRO 8 CO 0.60 0.39 -0.78 -0.59 -0.23 0.00 0.00 178.00 177.39 2khr s PHE 9 N -6.09 1.11 0.13 1.56 -0.71 -1.26 -4.87 117.98 107.85 2khr s PHE 9 Ca -0.13 -0.54 -0.04 0.00 -1.04 0.00 0.00 56.93 55.19 2khr s PHE 9 Cb 0.16 -1.03 -0.05 0.00 -1.21 0.00 0.00 43.02 40.89 2khr s PHE 9 CO 0.76 -0.45 0.34 0.34 -1.34 0.00 0.00 175.22 174.87 2khr s ASP 10 N 1.83 6.46 0.06 1.98 2.15 -1.26 -5.02 116.67 122.87 2khr s ASP 10 Ca 0.04 0.51 0.23 0.00 0.43 0.00 0.00 52.55 53.76 2khr s ASP 10 Cb -0.13 -2.06 -0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2khr s ASP 10 CO -0.07 0.07 0.90 0.47 -0.17 0.00 0.00 175.17 176.37 2khr n ASP 11 N 0.08 0.54 -0.02 -0.34 9.92 -1.26 -2.96 116.55 122.51 2khr n ASP 11 Ca -0.03 -0.09 -0.01 0.00 -0.53 0.00 0.00 54.79 54.14 2khr n ASP 11 Cb 0.52 1.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.99 2khr n ASP 11 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2khr h ASP 12 N 0.00 0.00 0.12 -2.24 1.82 -2.04 -3.41 116.42 110.67 2khr h ASP 12 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2khr h ASP 12 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2khr h ASP 12 CO 0.00 0.18 -0.42 0.59 -1.61 0.00 0.00 179.24 177.98 2khr n ASN 13 N -2.82 1.45 -4.42 2.28 3.02 -1.26 -4.67 115.26 108.85 2khr n ASN 13 Ca -0.01 -1.15 -0.45 0.00 -0.03 0.00 0.00 54.58 52.94 2khr n ASN 13 Cb 0.05 0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2khr n ASN 13 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2khr s GLY 14 N -2.55 2.54 -0.44 7.41 0.00 -1.16 -4.81 107.32 108.32 2khr s GLY 14 Ca 0.20 -3.35 -0.28 0.00 0.00 0.00 0.00 44.72 41.29 2khr s GLY 14 CO 0.57 1.78 1.62 0.00 0.00 0.00 0.00 173.10 177.07 2khr s ALA 15 N 0.96 2.81 0.08 3.20 0.00 -1.26 -4.51 121.76 123.04 2khr s ALA 15 Ca 0.35 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 2khr s ALA 15 Cb -0.06 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.96 2khr s ALA 15 CO -0.05 -2.80 0.38 -0.59 0.00 0.00 0.00 175.76 172.70 2khr s PHE 16 N 6.62 3.56 0.36 0.00 -0.12 -1.26 0.58 117.98 127.72 2khr s PHE 16 Ca 0.67 0.72 0.08 0.00 -0.05 0.00 0.00 56.93 58.36 2khr s PHE 16 Cb -0.16 -2.11 -0.04 0.00 -0.63 0.00 0.00 43.02 40.07 2khr s PHE 16 CO 0.30 0.52 0.16 -0.06 -0.05 0.00 0.00 175.22 176.09 2khr s PHE 17 N -1.43 2.69 -0.70 3.49 0.40 0.85 -3.69 117.98 119.58 2khr s PHE 17 Ca 0.34 -0.43 -0.20 0.00 -0.60 0.00 0.00 56.93 56.04 2khr s PHE 17 Cb -0.13 -1.74 0.10 0.00 0.51 0.00 0.00 43.02 41.76 2khr s PHE 17 CO 0.19 0.28 0.88 0.08 0.70 0.00 0.00 175.22 177.35 2khr s VAL 18 N -2.46 4.67 -0.17 -0.44 1.01 -0.40 -2.51 120.40 120.09 2khr s VAL 18 Ca 0.39 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2khr s VAL 18 Cb -0.01 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.72 2khr s VAL 18 CO 0.23 -1.32 -0.02 -0.22 0.00 0.00 0.00 175.10 173.77 2khr s LEU 19 N 3.04 3.28 0.01 3.92 2.96 -0.01 -0.73 118.68 131.16 2khr s LEU 19 Ca 0.20 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 2khr s LEU 19 Cb -0.17 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2khr s LEU 19 CO 0.04 0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.37 2khr s VAL 20 N 0.54 3.03 0.49 1.68 1.01 0.42 0.56 120.40 128.12 2khr s VAL 20 Ca -0.02 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.03 2khr s VAL 20 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2khr s VAL 20 CO 0.02 0.40 0.51 0.20 0.00 0.00 0.00 175.10 176.23 2khr s ASN 21 N -1.29 5.04 0.08 3.32 0.01 -0.67 0.46 114.94 121.89 2khr s ASN 21 Ca 0.15 -0.85 -0.06 0.00 -0.71 0.00 0.00 52.86 51.38 2khr s ASN 21 Cb -0.11 -0.14 -0.25 0.00 0.41 0.00 0.00 41.25 41.17 2khr s ASN 21 CO 0.05 -0.94 1.16 -0.78 -1.51 0.00 0.00 177.10 175.08 2khr h ASP 22 N 0.71 0.53 -0.01 -1.22 3.58 -1.80 -3.33 116.42 114.88 2khr h ASP 22 Ca -0.37 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.55 2khr h ASP 22 Cb 1.28 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2khr h ASP 22 CO 0.52 1.38 -0.55 -0.62 -2.88 0.00 0.00 179.24 177.08 2khr n GLU 23 N -3.62 1.34 -4.35 0.28 1.02 -1.26 -4.96 120.64 109.09 2khr n GLU 23 Ca -0.09 -0.58 -0.20 0.00 -0.02 0.00 0.00 57.16 56.27 2khr n GLU 23 Cb 0.99 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 30.92 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2khr s ASP 24 N -2.34 1.55 0.25 1.62 2.15 -1.25 -5.06 116.67 113.58 2khr s ASP 24 Ca 0.12 -0.42 0.14 0.00 0.43 0.00 0.00 52.55 52.82 2khr s ASP 24 Cb 0.15 -0.10 0.01 0.00 -0.30 0.00 0.00 42.92 42.68 2khr s ASP 24 CO 0.57 0.03 1.40 1.56 -0.17 0.00 0.00 175.17 178.56 2khr h GLN 25 N 5.05 0.00 -1.72 4.34 1.08 -1.93 -1.77 115.11 120.16 2khr h GLN 25 Ca -0.37 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 56.90 2khr h GLN 25 Cb 1.18 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.36 2khr h GLN 25 CO 0.44 0.59 0.26 -3.38 -0.95 0.00 0.00 178.83 175.80 2khr s HIS 26 N -2.91 -0.73 -0.05 2.96 -3.43 -1.26 -4.68 115.29 105.19 2khr s HIS 26 Ca 0.03 1.50 -0.02 0.00 -0.80 0.00 0.00 55.06 55.78 2khr s HIS 26 Cb 0.08 0.44 0.03 0.00 -1.43 0.00 0.00 32.58 31.70 2khr s HIS 26 CO 0.76 -0.36 0.09 -1.12 -2.00 0.00 0.00 174.74 172.11 2khr s SER 27 N 1.24 0.83 -0.82 7.38 0.01 0.19 -4.96 113.70 117.58 2khr s SER 27 Ca -0.07 0.15 -0.19 0.00 1.31 0.00 0.00 55.95 57.14 2khr s SER 27 Cb -0.04 -0.01 0.12 0.00 0.21 0.00 0.00 66.02 66.29 2khr s SER 27 CO -0.15 -0.23 1.02 -0.76 0.41 0.00 0.00 173.24 173.54 2khr s LEU 28 N 2.00 5.03 -0.19 2.44 2.01 -1.26 -0.83 118.68 127.88 2khr s LEU 28 Ca 0.02 -1.76 -0.05 0.00 0.01 0.00 0.00 54.13 52.34 2khr s LEU 28 Cb -0.12 -2.38 -0.03 0.00 0.01 0.00 0.00 46.19 43.67 2khr s LEU 28 CO -0.04 -1.13 0.01 0.86 1.01 0.00 0.00 176.35 177.06 2khr s TRP 29 N 2.87 3.07 0.31 0.29 -0.11 -1.05 -4.85 118.94 119.48 2khr s TRP 29 Ca 0.27 -0.35 -0.28 0.00 1.22 0.00 0.00 56.10 56.95 2khr s TRP 29 Cb -0.10 -2.08 -0.09 0.00 -1.50 0.00 0.00 33.47 29.70 2khr s TRP 29 CO -0.03 -0.16 1.11 -1.25 -4.62 0.00 0.00 176.95 172.00 2khr s PRO 30 N 0.86 4.52 0.00 5.86 0.04 -1.26 -0.11 135.00 144.92 2khr s PRO 30 Ca 0.01 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2khr s PRO 30 Cb -0.14 -3.06 0.29 0.00 0.04 0.00 0.00 34.50 31.63 2khr s PRO 30 CO 0.02 0.11 1.09 1.33 0.04 0.00 0.00 177.00 179.59 2khr n VAL 31 N 0.92 0.00 0.81 -0.36 0.24 0.20 -2.73 118.33 117.41 2khr n VAL 31 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 2khr n VAL 31 Cb 0.45 -0.14 0.29 0.00 -1.47 0.00 0.00 33.84 32.97 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2khr n PHE 32 N -0.58 0.39 -4.30 6.34 7.35 -1.26 -4.88 117.46 120.52 2khr n PHE 32 Ca 0.04 -0.20 -0.16 0.00 -0.76 0.00 0.00 57.45 56.37 2khr n PHE 32 Cb 0.02 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.75 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khr s ALA 33 N -1.61 1.66 0.37 3.13 0.00 -1.11 -5.14 121.76 119.08 2khr s ALA 33 Ca 0.33 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.37 2khr s ALA 33 Cb 0.18 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 2khr s ALA 33 CO 0.26 -0.21 1.14 -0.51 0.00 0.00 0.00 175.76 176.44 2khr s ASP 34 N -3.25 6.72 -0.18 0.00 1.11 -1.26 -4.98 116.67 114.82 2khr s ASP 34 Ca 0.24 2.28 -0.06 0.00 0.18 0.00 0.00 52.55 55.20 2khr s ASP 34 Cb 0.05 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2khr s ASP 34 CO 0.06 -0.54 0.02 -0.63 1.18 0.00 0.00 175.17 175.27 2khr s ILE 35 N -1.41 4.36 0.00 0.77 1.01 -1.26 -5.11 121.20 119.57 2khr s ILE 35 Ca 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2khr s ILE 35 Cb -0.30 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2khr s ILE 35 CO 0.37 0.46 0.00 -0.81 0.00 0.00 0.00 174.94 174.96 2khr n PRO 36 N 3.71 2.29 -4.25 2.79 -0.04 -1.26 -5.10 135.00 133.14 2khr n PRO 36 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 2khr n PRO 36 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 2khr n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khr s ALA 37 N -3.24 1.57 0.00 0.55 0.00 -1.26 -4.87 121.76 114.50 2khr s ALA 37 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2khr s ALA 37 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2khr s ALA 37 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2khr n GLY 38 N 0.47 1.98 3.57 0.00 0.00 -1.26 -5.03 105.19 104.92 2khr n GLY 38 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2khr n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2khr s TRP 39 N -2.00 2.05 -0.13 1.61 1.48 -1.26 -2.10 118.94 118.59 2khr s TRP 39 Ca 0.00 -0.95 -0.03 0.00 -1.06 0.00 0.00 56.10 54.06 2khr s TRP 39 Cb 0.00 -1.45 0.05 0.00 -1.16 0.00 0.00 33.47 30.90 2khr s TRP 39 CO 0.00 0.11 0.05 1.03 -4.06 0.00 0.00 176.95 174.08 2khr s ARG 40 N -3.81 0.30 -0.33 3.25 3.00 0.17 -4.96 118.95 116.57 2khr s ARG 40 Ca 0.27 -0.02 -0.26 0.00 0.00 0.00 0.00 55.73 55.72 2khr s ARG 40 Cb 0.06 -1.42 0.01 0.00 0.00 0.00 0.00 34.95 33.61 2khr s ARG 40 CO 0.13 -0.51 0.94 0.08 0.00 0.00 0.00 175.30 175.95 2khr s VAL 41 N 2.04 4.63 -0.00 3.52 1.01 -1.26 -0.44 120.40 129.90 2khr s VAL 41 Ca 0.03 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 2khr s VAL 41 Cb -0.15 -4.30 -0.34 0.00 0.00 0.00 0.00 36.38 31.59 2khr s VAL 41 CO -0.07 -0.42 0.91 0.58 0.00 0.00 0.00 175.10 176.11 2khr h VAL 42 N 5.71 1.26 -3.39 2.92 2.07 -1.31 -3.48 116.25 120.03 2khr h VAL 42 Ca -0.22 -2.63 -0.05 0.00 0.82 0.00 0.00 66.70 64.62 2khr h VAL 42 Cb 1.08 3.02 -0.12 0.00 -1.52 0.00 0.00 31.29 33.74 2khr h VAL 42 CO 0.97 0.80 -0.06 -1.00 0.02 0.00 0.00 177.57 178.30 2khr s HIS 43 N -2.56 -0.18 0.00 1.57 3.76 -1.24 -5.03 115.29 111.61 2khr s HIS 43 Ca -0.11 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2khr s HIS 43 Cb 0.04 0.28 0.00 0.00 1.11 0.00 0.00 32.58 34.00 2khr s HIS 43 CO 0.91 -0.74 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 2khr n GLY 44 N -0.25 0.39 3.48 -2.22 0.00 -1.26 -1.28 105.19 104.05 2khr n GLY 44 Ca -0.15 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 2khr n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khr s GLU 45 N 0.00 3.22 0.34 1.61 4.04 -1.24 -3.52 118.70 123.14 2khr s GLU 45 Ca 0.00 -0.83 0.08 0.00 0.04 0.00 0.00 54.97 54.26 2khr s GLU 45 Cb 0.00 -4.38 -0.07 0.00 0.02 0.00 0.00 34.13 29.70 2khr s GLU 45 CO 0.00 -1.92 -0.06 0.00 -1.84 0.00 0.00 175.26 171.45 2khr s ALA 46 N 4.35 2.79 0.02 -0.84 0.00 -1.26 -5.03 121.76 121.79 2khr s ALA 46 Ca 0.28 -2.08 -0.38 0.00 0.00 0.00 0.00 51.96 49.79 2khr s ALA 46 Cb -0.12 0.10 -0.17 0.00 0.00 0.00 0.00 23.12 22.93 2khr s ALA 46 CO 0.07 -0.02 1.40 -1.13 0.00 0.00 0.00 175.76 176.08 2khr n SER 47 N -0.76 1.69 -0.16 0.00 3.41 -1.26 -4.80 113.62 111.74 2khr n SER 47 Ca -0.05 1.11 -0.01 0.00 -0.26 0.00 0.00 58.87 59.67 2khr n SER 47 Cb 0.64 -1.17 0.23 0.00 -0.26 0.00 0.00 64.21 63.65 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2khr h ARG 48 N 4.93 0.89 -0.02 4.33 1.12 -1.98 -0.97 114.38 122.68 2khr h ARG 48 Ca -0.48 -0.11 -0.00 0.00 -1.11 0.00 0.00 59.98 58.28 2khr h ARG 48 Cb 1.34 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2khr h ARG 48 CO 0.80 0.69 0.01 0.00 -3.11 0.00 0.00 179.97 178.36 2khr h ALA 49 N 1.45 0.02 -0.70 2.80 0.00 -1.99 0.27 119.26 121.11 2khr h ALA 49 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2khr h ALA 49 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2khr h ALA 49 CO -0.03 -0.46 0.26 0.00 0.00 0.00 0.00 179.25 179.01 2khr h ALA 50 N 0.97 0.92 -0.27 0.00 0.00 -1.80 0.65 119.26 119.72 2khr h ALA 50 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2khr h ALA 50 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2khr h ALA 50 CO -0.00 0.56 0.08 0.00 0.00 0.00 0.00 179.25 179.89 2khr h LEU 52 N 0.28 0.42 -0.33 0.00 5.85 -0.21 -1.01 115.31 120.30 2khr h LEU 52 Ca 0.09 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2khr h LEU 52 Cb 0.26 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2khr h LEU 52 CO -0.00 0.41 0.05 -0.78 -0.34 0.00 0.00 178.44 177.78 2khr h ASP 53 N 0.39 -0.02 0.08 1.25 3.58 -0.78 -0.87 116.42 120.05 2khr h ASP 53 Ca 0.11 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2khr h ASP 53 Cb 0.10 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2khr h ASP 53 CO -0.02 0.03 -0.04 0.22 -2.88 0.00 0.00 179.24 176.55 2khr h TYR 54 N 0.16 -0.10 -0.38 0.28 3.20 -0.84 -0.73 116.97 118.56 2khr h TYR 54 Ca 0.16 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2khr h TYR 54 Cb 0.18 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2khr h TYR 54 CO -0.19 -0.01 -0.12 -0.39 -1.64 0.00 0.00 178.16 175.81 2khr h VAL 55 N -0.16 1.25 -0.38 1.81 -1.51 -0.99 0.43 116.25 116.70 2khr h VAL 55 Ca -0.01 -1.11 -0.14 0.00 -1.23 0.00 0.00 66.70 64.20 2khr h VAL 55 Cb 0.13 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 2khr h VAL 55 CO 0.02 0.37 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.09 2khr h GLU 56 N 0.61 0.88 0.00 5.19 4.39 -1.05 -2.04 114.58 122.56 2khr h GLU 56 Ca 0.11 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2khr h GLU 56 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2khr h GLU 56 CO 0.03 1.09 -0.19 0.87 -1.16 0.00 0.00 179.01 179.65 2khr h LYS 57 N 0.69 0.00 0.00 2.33 1.57 -0.79 -0.62 116.57 119.75 2khr h LYS 57 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2khr h LYS 57 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2khr h LYS 57 CO 0.08 0.00 -0.25 -0.91 -0.57 0.00 0.00 179.45 177.80 2khr h ASN 58 N 0.00 0.00 0.12 0.86 -0.26 -0.02 0.24 115.58 116.52 2khr h ASN 58 Ca 0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 2khr h ASN 58 Cb 0.76 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.05 2khr h ASN 58 CO 0.00 0.25 -1.14 -0.25 -1.06 0.00 0.00 177.43 175.23 2khr h TRP 59 N 0.00 0.92 0.82 1.19 7.01 -0.93 -3.09 115.95 121.88 2khr h TRP 59 Ca -0.00 -0.59 -0.04 0.00 2.11 0.00 0.00 58.89 60.37 2khr h TRP 59 Cb 1.09 -0.07 0.01 0.00 -2.10 0.00 0.00 29.16 28.09 2khr h TRP 59 CO 0.00 1.43 -0.39 1.15 -2.79 0.00 0.00 178.44 177.84 2khr h THR 60 N 0.15 0.00 -3.28 2.65 2.02 -1.04 -3.33 112.91 110.08 2khr h THR 60 Ca -0.18 -0.11 -0.76 0.00 0.77 0.00 0.00 66.41 66.14 2khr h THR 60 Cb 1.84 0.00 -0.23 0.00 -1.74 0.00 0.00 68.15 68.01 2khr h THR 60 CO 0.22 0.00 0.42 -0.62 0.37 0.00 0.00 175.52 175.91 2khr s ASP 61 N -4.00 6.79 -0.60 4.18 2.15 0.82 -5.00 116.67 121.01 2khr s ASP 61 Ca -0.16 -2.59 -0.27 0.00 0.43 0.00 0.00 52.55 49.97 2khr s ASP 61 Cb 0.02 -2.28 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 2khr s ASP 61 CO 0.48 -0.71 1.76 -0.22 -0.17 0.00 0.00 175.17 176.31 2khr s LEU 62 N 0.89 3.30 -0.28 -1.34 1.98 -1.17 -4.37 118.68 117.69 2khr s LEU 62 Ca 0.25 0.32 -0.03 0.00 -2.89 0.00 0.00 54.13 51.78 2khr s LEU 62 Cb -0.08 -2.65 0.11 0.00 0.66 0.00 0.00 46.19 44.24 2khr s LEU 62 CO -0.09 -2.22 0.19 -0.60 -1.89 0.00 0.00 176.35 171.74 2khr s ARG 63 N 6.68 0.23 -0.70 1.98 6.06 -1.25 -5.09 118.95 126.87 2khr s ARG 63 Ca 0.63 -0.34 -0.26 0.00 -2.50 0.00 0.00 55.73 53.27 2khr s ARG 63 Cb -0.13 -1.01 -0.02 0.00 0.06 0.00 0.00 34.95 33.85 2khr s ARG 63 CO 0.21 -0.99 1.85 -2.14 -2.50 0.00 0.00 175.30 171.73 2khr s PRO 64 N 2.21 2.65 -0.90 5.12 0.02 -1.26 -4.93 135.00 137.91 2khr s PRO 64 Ca 0.09 0.32 -0.19 0.00 0.02 0.00 0.00 61.00 61.24 2khr s PRO 64 Cb -0.15 -4.56 0.13 0.00 0.02 0.00 0.00 34.50 29.93 2khr s PRO 64 CO -0.33 -2.86 1.09 0.15 -0.33 0.00 0.00 177.00 174.72 2khr s LYS 65 N 6.94 3.56 -0.52 5.54 -0.14 -1.26 -4.98 119.74 128.88 2khr s LYS 65 Ca 0.66 -1.72 -0.18 0.00 -1.36 0.00 0.00 55.97 53.37 2khr s LYS 65 Cb -0.11 -4.84 0.07 0.00 -1.68 0.00 0.00 37.83 31.27 2khr s LYS 65 CO 0.15 -1.75 0.59 -1.12 -0.76 0.00 0.00 175.35 172.46 2khr s SER 66 N 3.58 6.20 0.06 2.83 0.01 -1.26 -5.04 113.70 120.08 2khr s SER 66 Ca 0.31 -1.11 0.09 0.00 1.31 0.00 0.00 55.95 56.55 2khr s SER 66 Cb -0.06 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2khr s SER 66 CO -0.08 -0.88 -0.23 -0.22 0.41 0.00 0.00 173.24 172.23 2khr s LEU 67 N 2.42 2.20 0.00 2.44 2.96 -1.26 -5.02 118.68 122.43 2khr s LEU 67 Ca 0.12 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2khr s LEU 67 Cb -0.21 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.38 2khr s LEU 67 CO 0.10 0.18 0.00 -2.11 -1.32 0.00 0.00 176.35 173.20 2khr n ARG 68 N 1.61 0.00 -3.84 1.98 1.85 -1.26 -5.10 116.66 111.90 2khr n ARG 68 Ca -0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.55 2khr n ARG 68 Cb 0.53 -0.68 -0.14 0.00 -1.05 0.00 0.00 32.46 31.12 2khr n ARG 68 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2khr s ASP 69 N -3.37 -0.04 0.37 2.89 2.15 -1.26 -5.16 116.67 112.26 2khr s ASP 69 Ca 0.00 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.94 2khr s ASP 69 Cb 0.00 0.09 0.05 0.00 -0.30 0.00 0.00 42.92 42.76 2khr s ASP 69 CO 0.00 -0.04 0.76 0.00 -0.17 0.00 0.00 175.17 175.72 2khr s ALA 70 N 0.20 -0.67 -1.27 3.66 0.00 -1.26 -5.06 121.76 117.35 2khr s ALA 70 Ca -0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 2khr s ALA 70 Cb -0.02 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2khr s ALA 70 CO -0.01 -0.98 1.75 -1.64 0.00 0.00 0.00 175.76 174.89 2khr s MET 71 N -2.52 3.78 0.27 0.00 -1.94 -1.26 -4.95 119.30 112.69 2khr s MET 71 Ca 0.16 -1.85 0.05 0.00 -1.71 0.00 0.00 55.69 52.34 2khr s MET 71 Cb -0.05 -5.49 -0.02 0.00 2.01 0.00 0.00 34.83 31.27 2khr s MET 71 CO 0.12 -2.47 0.40 0.14 -0.01 0.00 0.00 175.02 173.19 2khr s VAL 72 N 5.12 4.93 -0.49 -6.03 -7.23 -1.26 -5.07 120.40 110.37 2khr s VAL 72 Ca 0.55 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 2khr s VAL 72 Cb 0.03 -3.74 0.12 0.00 0.56 0.00 0.00 36.38 33.35 2khr s VAL 72 CO 0.08 -0.30 0.38 -0.70 -0.31 0.00 0.00 175.10 174.26 2khr s GLU 73 N -4.05 2.62 0.00 4.82 2.12 -1.26 -5.29 118.70 117.65 2khr s GLU 73 Ca 0.37 -1.74 0.02 0.00 0.36 0.00 0.00 54.97 53.99 2khr s GLU 73 Cb -0.09 -4.02 0.02 0.00 0.26 0.00 0.00 34.13 30.29 2khr s GLU 73 CO 0.30 -1.22 0.57 -3.47 -0.54 0.00 0.00 175.26 170.90