#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 6.07 0.07 1.61 0.01 -1.26 -4.96 113.70 115.25 2khr s SER 2 Ca 0.00 1.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.84 2khr s SER 2 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2khr s SER 2 CO 0.00 -1.47 1.11 -1.00 0.41 0.00 0.00 173.24 172.29 2khr s HIS 3 N 6.12 3.55 -0.47 2.43 3.76 -1.26 -3.82 115.29 125.59 2khr s HIS 3 Ca 0.84 1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 57.13 2khr s HIS 3 Cb -0.31 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.10 2khr s HIS 3 CO 0.34 -0.74 0.58 -1.33 -0.85 0.00 0.00 174.74 172.74 2khr n MET 4 N 3.52 -1.99 -4.37 1.40 2.00 -1.26 -5.02 117.12 111.40 2khr n MET 4 Ca 0.06 1.88 -0.33 0.00 0.00 0.00 0.00 57.70 59.31 2khr n MET 4 Cb 0.48 -5.44 -0.15 0.00 0.00 0.00 0.00 33.22 28.11 2khr n MET 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2khr s SER 5 N -2.61 3.67 -0.24 7.83 0.15 -1.25 -5.09 113.70 116.15 2khr s SER 5 Ca 0.18 -0.49 -0.07 0.00 0.70 0.00 0.00 55.95 56.27 2khr s SER 5 Cb -0.05 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 2khr s SER 5 CO 0.72 0.06 0.07 0.42 1.20 0.00 0.00 173.24 175.71 2khr s THR 6 N 0.98 4.41 -0.14 6.45 -4.23 -1.26 -5.08 115.64 116.77 2khr s THR 6 Ca -0.02 -0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.09 2khr s THR 6 Cb -0.15 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 2khr s THR 6 CO -0.03 0.35 0.83 0.20 -0.54 0.00 0.00 174.62 175.44 2khr s ASN 7 N 1.45 7.00 0.15 3.99 0.01 -1.26 -4.96 114.94 121.33 2khr s ASN 7 Ca 0.06 1.22 -0.12 0.00 -0.71 0.00 0.00 52.86 53.30 2khr s ASN 7 Cb -0.15 -2.46 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2khr s ASN 7 CO 0.04 -0.36 1.62 1.55 -1.51 0.00 0.00 177.10 178.44 2khr h PRO 8 N 7.21 0.87 -3.26 -0.60 0.13 -2.02 -3.47 132.00 130.87 2khr h PRO 8 Ca -0.32 -0.26 -0.36 0.00 -0.87 0.00 0.00 66.00 64.20 2khr h PRO 8 Cb 1.15 -0.09 0.02 0.00 0.13 0.00 0.00 31.00 32.20 2khr h PRO 8 CO 0.82 0.88 -0.50 1.19 -0.23 0.00 0.00 178.00 180.16 2khr n PHE 9 N -4.35 -1.28 0.08 1.56 3.72 -1.26 -4.87 117.46 111.05 2khr n PHE 9 Ca 0.01 0.22 0.01 0.00 -0.05 0.00 0.00 57.45 57.65 2khr n PHE 9 Cb 0.29 -3.83 -0.01 0.00 -0.94 0.00 0.00 39.48 34.98 2khr n PHE 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2khr n ASP 10 N -1.72 1.01 -4.81 4.37 5.75 -1.26 -5.02 116.55 114.87 2khr n ASP 10 Ca -0.16 -0.44 -0.35 0.00 -0.01 0.00 0.00 54.79 53.84 2khr n ASP 10 Cb 0.64 1.02 -0.07 0.00 -1.03 0.00 0.00 41.12 41.68 2khr n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2khr s ASP 11 N -1.42 5.89 0.04 -1.12 2.15 -1.26 -5.10 116.67 115.83 2khr s ASP 11 Ca 0.00 0.27 -0.03 0.00 0.43 0.00 0.00 52.55 53.23 2khr s ASP 11 Cb 0.02 -1.78 -0.02 0.00 -0.30 0.00 0.00 42.92 40.84 2khr s ASP 11 CO 0.09 0.34 0.02 -0.62 -0.17 0.00 0.00 175.17 174.83 2khr s ASP 12 N -1.35 0.29 0.41 -0.34 -1.08 -1.26 -5.03 116.67 108.31 2khr s ASP 12 Ca 0.19 -0.66 0.08 0.00 -0.52 0.00 0.00 52.55 51.63 2khr s ASP 12 Cb -0.12 0.18 0.88 0.00 -1.46 0.00 0.00 42.92 42.40 2khr s ASP 12 CO 0.09 -0.48 2.06 0.78 0.52 0.00 0.00 175.17 178.14 2khr h ASN 13 N 3.79 0.44 -4.67 -0.34 4.21 -2.07 -3.48 115.58 113.46 2khr h ASN 13 Ca -0.33 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.17 2khr h ASN 13 Cb 1.18 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2khr h ASN 13 CO 0.52 0.33 -0.56 0.61 -1.29 0.00 0.00 177.43 177.04 2khr n GLY 14 N -1.46 -2.54 3.61 2.83 0.00 -1.26 -4.87 105.19 101.49 2khr n GLY 14 Ca 0.03 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.24 2khr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khr s ALA 15 N -1.74 2.88 0.04 4.61 0.00 -1.26 -4.80 121.76 121.49 2khr s ALA 15 Ca 0.10 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 2khr s ALA 15 Cb -0.03 -4.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 2khr s ALA 15 CO 0.59 -2.58 0.31 -0.59 0.00 0.00 0.00 175.76 173.49 2khr s PHE 16 N 7.22 3.57 0.20 0.00 -0.12 -1.26 0.67 117.98 128.25 2khr s PHE 16 Ca 0.89 0.60 0.09 0.00 -0.05 0.00 0.00 56.93 58.46 2khr s PHE 16 Cb -0.28 -2.02 -0.04 0.00 -0.63 0.00 0.00 43.02 40.05 2khr s PHE 16 CO 0.34 0.57 -0.07 -0.06 -0.05 0.00 0.00 175.22 175.95 2khr s PHE 17 N -1.37 2.66 -0.79 3.49 0.40 0.10 -3.26 117.98 119.21 2khr s PHE 17 Ca 0.30 -0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 56.17 2khr s PHE 17 Cb -0.13 -1.27 0.05 0.00 0.51 0.00 0.00 43.02 42.18 2khr s PHE 17 CO 0.18 0.54 1.24 0.08 0.70 0.00 0.00 175.22 177.95 2khr s VAL 18 N -1.84 3.96 -0.19 -0.44 1.01 0.39 -0.77 120.40 122.51 2khr s VAL 18 Ca 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2khr s VAL 18 Cb -0.08 -4.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 2khr s VAL 18 CO 0.16 -1.77 0.04 -0.22 0.00 0.00 0.00 175.10 173.31 2khr s LEU 19 N 5.03 3.59 -0.09 3.92 2.96 0.35 -0.99 118.68 133.45 2khr s LEU 19 Ca 0.34 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2khr s LEU 19 Cb -0.08 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2khr s LEU 19 CO 0.07 0.13 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 2khr s VAL 20 N 0.60 3.95 0.23 1.68 1.01 0.11 -0.09 120.40 127.90 2khr s VAL 20 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2khr s VAL 20 Cb -0.13 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2khr s VAL 20 CO 0.02 0.58 0.31 0.59 0.00 0.00 0.00 175.10 176.60 2khr n ASN 21 N 2.48 0.60 0.03 3.32 3.02 -1.24 -0.65 115.26 122.81 2khr n ASN 21 Ca -0.18 -1.46 -0.19 0.00 -0.03 0.00 0.00 54.58 52.72 2khr n ASN 21 Cb 0.53 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 2khr n ASN 21 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2khr h ASP 22 N -0.09 0.62 -0.19 6.41 1.82 -1.95 -3.32 116.42 119.73 2khr h ASP 22 Ca -0.10 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 2khr h ASP 22 Cb 0.43 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2khr h ASP 22 CO 0.13 1.35 0.00 -0.62 -1.61 0.00 0.00 179.24 178.49 2khr n GLU 23 N -4.09 2.52 -4.65 0.28 -0.58 -1.26 -5.00 120.64 107.86 2khr n GLU 23 Ca -0.12 -2.52 -0.29 0.00 -0.42 0.00 0.00 57.16 53.81 2khr n GLU 23 Cb 0.77 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.92 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2khr s ASP 24 N -1.92 3.21 -0.11 1.62 2.15 -1.25 -5.06 116.67 115.32 2khr s ASP 24 Ca 0.32 -0.66 -0.28 0.00 0.43 0.00 0.00 52.55 52.36 2khr s ASP 24 Cb 0.26 -0.25 -0.25 0.00 -0.30 0.00 0.00 42.92 42.38 2khr s ASP 24 CO 0.08 0.22 0.90 1.56 -0.17 0.00 0.00 175.17 177.75 2khr h GLN 25 N 4.36 0.02 -1.73 4.34 4.20 -1.95 -3.28 115.11 121.08 2khr h GLN 25 Ca -0.48 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.25 2khr h GLN 25 Cb 1.16 0.01 -0.24 0.00 0.30 0.00 0.00 27.48 28.70 2khr h GLN 25 CO 0.41 0.89 0.28 -3.38 -0.67 0.00 0.00 178.83 176.37 2khr s HIS 26 N -2.73 -0.70 -0.04 2.96 -3.43 -1.26 -4.78 115.29 105.32 2khr s HIS 26 Ca -0.18 1.50 -0.01 0.00 -0.80 0.00 0.00 55.06 55.57 2khr s HIS 26 Cb -0.02 0.41 0.03 0.00 -1.43 0.00 0.00 32.58 31.58 2khr s HIS 26 CO 0.70 -0.34 0.06 -1.12 -2.00 0.00 0.00 174.74 172.03 2khr s SER 27 N 0.96 0.66 -0.67 7.38 0.01 0.88 -5.01 113.70 117.91 2khr s SER 27 Ca -0.04 0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.05 2khr s SER 27 Cb -0.05 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2khr s SER 27 CO -0.11 -0.20 1.16 -0.76 0.41 0.00 0.00 173.24 173.73 2khr s LEU 28 N 1.73 3.57 -0.27 2.44 2.01 -1.26 -0.49 118.68 126.41 2khr s LEU 28 Ca -0.01 -0.43 -0.07 0.00 0.01 0.00 0.00 54.13 53.64 2khr s LEU 28 Cb -0.12 -2.69 -0.00 0.00 0.01 0.00 0.00 46.19 43.38 2khr s LEU 28 CO -0.03 -1.61 0.06 0.86 1.01 0.00 0.00 176.35 176.64 2khr s TRP 29 N 5.03 3.11 0.35 0.29 -0.11 0.05 -4.82 118.94 122.83 2khr s TRP 29 Ca 0.34 -0.80 -0.28 0.00 1.22 0.00 0.00 56.10 56.57 2khr s TRP 29 Cb -0.10 -2.23 -0.09 0.00 -1.50 0.00 0.00 33.47 29.54 2khr s TRP 29 CO 0.17 -0.51 1.23 -2.14 -4.62 0.00 0.00 176.95 171.08 2khr s PRO 30 N 1.53 4.29 0.00 5.86 0.02 -1.26 0.03 135.00 145.47 2khr s PRO 30 Ca 0.04 2.03 0.12 0.00 0.02 0.00 0.00 61.00 63.21 2khr s PRO 30 Cb -0.16 -2.96 0.70 0.00 0.02 0.00 0.00 34.50 32.10 2khr s PRO 30 CO 0.02 -0.18 1.13 1.33 -0.33 0.00 0.00 177.00 178.98 2khr n VAL 31 N 0.61 0.00 0.39 3.83 0.24 0.21 -2.00 118.33 121.61 2khr n VAL 31 Ca 0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.45 2khr n VAL 31 Cb 0.44 -0.63 0.40 0.00 -1.47 0.00 0.00 33.84 32.58 2khr n VAL 31 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2khr h PHE 32 N 0.00 0.00 -3.67 6.34 3.57 -1.91 -3.44 116.94 117.83 2khr h PHE 32 Ca 0.00 0.00 -0.67 0.00 3.53 0.00 0.00 57.97 60.83 2khr h PHE 32 Cb 0.00 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 38.56 2khr h PHE 32 CO 0.00 0.00 -0.76 0.00 -2.23 0.00 0.00 178.31 175.32 2khr s ALA 33 N -3.29 2.85 0.41 2.41 0.00 -0.85 -5.10 121.76 118.19 2khr s ALA 33 Ca 0.06 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 2khr s ALA 33 Cb 0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 2khr s ALA 33 CO 0.57 0.62 1.29 0.34 0.00 0.00 0.00 175.76 178.58 2khr s ASP 34 N -1.92 6.31 -0.28 0.00 2.15 -1.26 -4.94 116.67 116.73 2khr s ASP 34 Ca 0.19 2.62 -0.16 0.00 0.43 0.00 0.00 52.55 55.63 2khr s ASP 34 Cb -0.11 -2.64 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 2khr s ASP 34 CO 0.11 -0.85 0.41 -0.63 -0.17 0.00 0.00 175.17 174.04 2khr s ILE 35 N -1.28 5.14 0.00 4.11 1.01 -1.26 -5.08 121.20 123.84 2khr s ILE 35 Ca 0.57 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2khr s ILE 35 Cb -0.37 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2khr s ILE 35 CO 0.48 0.10 0.00 -0.81 0.00 0.00 0.00 174.94 174.71 2khr n PRO 36 N 5.41 1.47 -3.39 2.79 -0.04 -1.26 -5.10 135.00 134.88 2khr n PRO 36 Ca -0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2khr n PRO 36 Cb 0.50 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.29 4.46 -0.49 0.55 0.00 -1.26 -4.65 121.76 117.09 2khr s ALA 37 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2khr s ALA 37 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2khr s ALA 37 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2khr n GLY 38 N -1.89 0.15 3.81 0.00 0.00 -1.26 -5.01 105.19 100.98 2khr n GLY 38 Ca 0.07 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.28 3.13 -0.14 1.61 1.48 -1.26 -3.44 118.94 118.04 2khr s TRP 39 Ca 0.00 -0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 54.95 2khr s TRP 39 Cb 0.00 -1.47 0.06 0.00 -1.16 0.00 0.00 33.47 30.90 2khr s TRP 39 CO 0.00 0.52 0.15 0.50 -4.06 0.00 0.00 176.95 174.06 2khr s ARG 40 N -3.37 0.08 -0.36 3.25 6.06 0.17 -4.97 118.95 119.82 2khr s ARG 40 Ca 0.32 0.26 -0.19 0.00 -2.50 0.00 0.00 55.73 53.61 2khr s ARG 40 Cb -0.09 -1.01 0.00 0.00 0.06 0.00 0.00 34.95 33.91 2khr s ARG 40 CO 0.24 -0.52 0.58 0.08 -2.50 0.00 0.00 175.30 173.17 2khr s VAL 41 N 2.25 4.95 -0.07 7.11 1.01 -1.26 0.09 120.40 134.48 2khr s VAL 41 Ca 0.04 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2khr s VAL 41 Cb -0.14 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 31.95 2khr s VAL 41 CO -0.08 -0.30 0.57 0.58 0.00 0.00 0.00 175.10 175.86 2khr h VAL 42 N 5.67 0.80 -2.07 2.92 2.07 -1.45 -3.49 116.25 120.71 2khr h VAL 42 Ca -0.27 -2.56 -0.06 0.00 0.82 0.00 0.00 66.70 64.63 2khr h VAL 42 Cb 1.12 2.52 -0.19 0.00 -1.52 0.00 0.00 31.29 33.22 2khr h VAL 42 CO 0.81 0.74 0.15 -2.28 0.02 0.00 0.00 177.57 177.01 2khr s HIS 43 N -2.58 -0.64 0.00 1.57 2.46 -1.24 -5.01 115.29 109.84 2khr s HIS 43 Ca -0.13 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2khr s HIS 43 Cb 0.07 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 2khr s HIS 43 CO 0.81 -0.57 0.00 0.41 -2.47 0.00 0.00 174.74 172.92 2khr n GLY 44 N 1.14 -1.17 3.55 1.59 0.00 -1.26 -0.46 105.19 108.58 2khr n GLY 44 Ca -0.19 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.05 2.57 0.17 1.61 -1.05 -1.20 -4.36 118.70 114.38 2khr s GLU 45 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 2khr s GLU 45 Cb 0.00 -4.51 -0.04 0.00 -0.44 0.00 0.00 34.13 29.14 2khr s GLU 45 CO 0.00 -2.89 0.06 0.00 0.95 0.00 0.00 175.26 173.38 2khr s ALA 46 N 9.50 1.17 -0.07 -0.84 0.00 -1.26 -4.99 121.76 125.27 2khr s ALA 46 Ca 0.70 -1.60 -0.32 0.00 0.00 0.00 0.00 51.96 50.74 2khr s ALA 46 Cb -0.12 0.87 -0.16 0.00 0.00 0.00 0.00 23.12 23.71 2khr s ALA 46 CO 0.18 -0.45 0.91 0.43 0.00 0.00 0.00 175.76 176.83 2khr n SER 47 N -0.21 0.16 -0.17 0.00 7.64 -1.26 -4.69 113.62 115.08 2khr n SER 47 Ca -0.04 0.92 -0.10 0.00 1.01 0.00 0.00 58.87 60.65 2khr n SER 47 Cb 0.64 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2khr h ARG 48 N 2.63 0.89 -0.50 1.43 1.12 -1.99 -0.27 114.38 117.69 2khr h ARG 48 Ca -0.39 -0.31 -0.06 0.00 -1.11 0.00 0.00 59.98 58.10 2khr h ARG 48 Cb 1.11 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 2khr h ARG 48 CO 0.56 0.95 0.06 0.00 -3.11 0.00 0.00 179.97 178.43 2khr h ALA 49 N 0.90 1.16 -0.52 2.80 0.00 -1.99 -0.10 119.26 121.52 2khr h ALA 49 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2khr h ALA 49 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2khr h ALA 49 CO 0.04 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 2khr h ALA 50 N 1.31 0.77 -0.09 0.00 0.00 -1.77 0.64 119.26 120.11 2khr h ALA 50 Ca 0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2khr h ALA 50 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2khr h ALA 50 CO 0.01 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.97 2khr h LEU 52 N 0.03 -0.33 -0.29 0.00 3.38 -0.91 -1.12 115.31 116.08 2khr h LEU 52 Ca 0.03 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2khr h LEU 52 Cb 0.10 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2khr h LEU 52 CO -0.00 -0.12 -0.01 -0.78 0.09 0.00 0.00 178.44 177.61 2khr h ASP 53 N -0.05 -0.14 -0.00 -0.43 1.82 -0.62 0.28 116.42 117.27 2khr h ASP 53 Ca 0.13 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.86 2khr h ASP 53 Cb 0.24 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 2khr h ASP 53 CO -0.28 -0.04 -0.11 0.22 -1.61 0.00 0.00 179.24 177.42 2khr h TYR 54 N 0.07 -0.28 -0.05 0.28 3.20 -0.54 -0.78 116.97 118.87 2khr h TYR 54 Ca 0.14 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.82 2khr h TYR 54 Cb 0.19 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 2khr h TYR 54 CO -0.23 -0.17 -0.82 -0.39 -1.64 0.00 0.00 178.16 174.92 2khr h VAL 55 N -0.19 1.39 -0.10 1.81 -1.51 -0.82 -2.16 116.25 114.68 2khr h VAL 55 Ca 0.04 -2.26 -0.16 0.00 -1.23 0.00 0.00 66.70 63.09 2khr h VAL 55 Cb 0.24 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 2khr h VAL 55 CO -0.11 0.68 -0.63 -0.33 -1.23 0.00 0.00 177.57 175.95 2khr h GLU 56 N 0.27 0.35 0.00 5.19 5.08 -0.38 -1.19 114.58 123.89 2khr h GLU 56 Ca -0.05 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2khr h GLU 56 Cb 1.42 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2khr h GLU 56 CO 0.14 0.86 -0.04 0.87 -1.00 0.00 0.00 179.01 179.85 2khr h LYS 57 N 0.26 0.00 0.00 2.33 1.57 -1.13 -3.03 116.57 116.57 2khr h LYS 57 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2khr h LYS 57 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2khr h LYS 57 CO 0.10 0.00 -0.81 -0.91 -0.57 0.00 0.00 179.45 177.26 2khr h ASN 58 N 0.00 0.00 -2.90 0.86 2.35 -1.11 -3.44 115.58 111.35 2khr h ASN 58 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2khr h ASN 58 Cb 0.85 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 2khr h ASN 58 CO 0.00 0.32 1.13 0.86 -1.65 0.00 0.00 177.43 178.09 2khr s TRP 59 N -3.09 2.18 0.14 1.19 -0.00 -0.48 -4.99 118.94 113.90 2khr s TRP 59 Ca 0.01 0.63 -0.27 0.00 -0.00 0.00 0.00 56.10 56.47 2khr s TRP 59 Cb 0.08 -4.07 -0.07 0.00 -0.00 0.00 0.00 33.47 29.41 2khr s TRP 59 CO 0.76 -2.59 0.84 -0.08 -0.00 0.00 0.00 176.95 175.89 2khr s THR 60 N 5.48 4.44 -0.99 5.86 -1.32 -1.26 -4.96 115.64 122.89 2khr s THR 60 Ca 0.69 1.83 -0.20 0.00 -1.21 0.00 0.00 61.69 62.80 2khr s THR 60 Cb -0.21 -4.21 0.10 0.00 -1.51 0.00 0.00 72.50 66.67 2khr s THR 60 CO 0.30 0.43 1.29 -0.62 -2.21 0.00 0.00 174.62 173.82 2khr s ASP 61 N -0.62 6.60 -0.02 8.08 -1.08 -1.26 -4.54 116.67 123.82 2khr s ASP 61 Ca 0.40 -1.85 -0.00 0.00 -0.52 0.00 0.00 52.55 50.58 2khr s ASP 61 Cb -0.23 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 38.74 2khr s ASP 61 CO 0.27 -1.24 -0.02 0.18 0.52 0.00 0.00 175.17 174.88 2khr n LEU 62 N 7.55 2.28 -4.70 -1.34 7.99 -1.26 -5.01 117.00 122.50 2khr n LEU 62 Ca 0.29 -0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.87 2khr n LEU 62 Cb 0.50 -0.08 -0.03 0.00 -0.11 0.00 0.00 43.42 43.69 2khr n LEU 62 CO 0.58 0.42 0.83 -0.60 -1.51 0.00 0.00 177.39 177.10 2khr s ARG 63 N -2.05 4.45 -0.34 3.23 3.52 -1.26 -4.95 118.95 121.55 2khr s ARG 63 Ca -0.03 1.58 -0.27 0.00 -0.13 0.00 0.00 55.73 56.87 2khr s ARG 63 Cb 0.01 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2khr s ARG 63 CO 0.05 -0.25 2.23 -1.25 -0.81 0.00 0.00 175.30 175.27 2khr s PRO 64 N 1.50 2.77 0.39 5.12 0.04 -1.26 -4.96 135.00 138.61 2khr s PRO 64 Ca 0.54 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 2khr s PRO 64 Cb -0.24 -4.43 -0.10 0.00 0.04 0.00 0.00 34.50 29.77 2khr s PRO 64 CO 0.25 -2.51 0.99 -1.59 0.04 0.00 0.00 177.00 174.18 2khr s LYS 65 N 6.97 4.26 0.11 4.56 0.00 -1.26 -5.05 119.74 129.33 2khr s LYS 65 Ca 0.96 1.34 -0.00 0.00 0.00 0.00 0.00 55.97 58.27 2khr s LYS 65 Cb -0.26 -2.48 -0.04 0.00 0.00 0.00 0.00 37.83 35.06 2khr s LYS 65 CO 0.31 -0.02 0.28 0.45 0.00 0.00 0.00 175.35 176.37 2khr s SER 66 N -1.78 6.38 -0.37 0.03 0.15 -1.26 -5.07 113.70 111.77 2khr s SER 66 Ca 0.58 0.32 -0.13 0.00 0.70 0.00 0.00 55.95 57.42 2khr s SER 66 Cb -0.17 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 2khr s SER 66 CO 0.22 0.09 0.24 -0.22 1.20 0.00 0.00 173.24 174.77 2khr s LEU 67 N -2.80 4.72 -0.34 3.45 2.96 -1.26 -5.03 118.68 120.37 2khr s LEU 67 Ca 0.36 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2khr s LEU 67 Cb -0.12 -2.09 0.10 0.00 0.50 0.00 0.00 46.19 44.58 2khr s LEU 67 CO 0.28 -0.35 0.07 -0.13 -1.32 0.00 0.00 176.35 174.90 2khr s ARG 68 N 1.64 1.31 -0.08 1.98 1.81 -1.26 -5.10 118.95 119.26 2khr s ARG 68 Ca 0.04 -1.71 0.02 0.00 -1.72 0.00 0.00 55.73 52.36 2khr s ARG 68 Cb -0.18 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.38 2khr s ARG 68 CO 0.09 -0.96 -0.12 0.34 -0.68 0.00 0.00 175.30 173.96 2khr s ASP 69 N 1.03 4.16 -0.04 0.23 2.15 -1.26 -5.00 116.67 117.93 2khr s ASP 69 Ca 0.11 -0.20 0.06 0.00 0.43 0.00 0.00 52.55 52.95 2khr s ASP 69 Cb -0.19 -1.15 0.10 0.00 -0.30 0.00 0.00 42.92 41.38 2khr s ASP 69 CO -0.12 0.29 0.98 0.00 -0.17 0.00 0.00 175.17 176.16 2khr n ALA 70 N 2.68 1.95 -3.85 3.66 0.00 -1.26 -4.94 120.51 118.75 2khr n ALA 70 Ca -0.18 -1.49 -0.29 0.00 0.00 0.00 0.00 53.44 51.48 2khr n ALA 70 Cb 0.52 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 2khr n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2khr s MET 71 N -1.10 1.85 -0.33 0.00 -2.45 -1.26 -5.05 119.30 110.96 2khr s MET 71 Ca 0.11 -2.59 -0.04 0.00 -1.25 0.00 0.00 55.69 51.92 2khr s MET 71 Cb 0.10 -2.99 0.05 0.00 1.25 0.00 0.00 34.83 33.24 2khr s MET 71 CO 0.01 -1.17 0.06 0.08 1.05 0.00 0.00 175.02 175.05 2khr s VAL 72 N -0.35 3.31 0.38 10.11 1.01 -1.26 -5.09 120.40 128.52 2khr s VAL 72 Ca 0.19 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.87 2khr s VAL 72 Cb -0.20 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 2khr s VAL 72 CO -0.04 -0.21 0.03 -1.83 0.00 0.00 0.00 175.10 173.05 2khr s GLU 73 N 1.29 2.01 0.00 2.72 -1.05 -1.26 -5.32 118.70 117.10 2khr s GLU 73 Ca -0.02 -1.95 0.27 0.00 -0.15 0.00 0.00 54.97 53.11 2khr s GLU 73 Cb -0.20 -1.78 0.80 0.00 -0.44 0.00 0.00 34.13 32.51 2khr s GLU 73 CO -0.00 0.01 1.60 -0.40 0.95 0.00 0.00 175.26 177.42