#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr n SER 2 N 0.00 3.97 -4.51 1.61 7.64 -1.26 -4.77 113.62 116.29 2khr n SER 2 Ca 0.00 -2.66 -0.43 0.00 1.01 0.00 0.00 58.87 56.79 2khr n SER 2 Cb 0.00 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.49 2khr n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2khr s HIS 3 N -2.13 3.10 -1.42 1.43 -3.43 -1.26 -4.97 115.29 106.61 2khr s HIS 3 Ca 0.35 -0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.39 2khr s HIS 3 Cb 0.27 -3.20 0.06 0.00 -1.43 0.00 0.00 32.58 28.28 2khr s HIS 3 CO 0.10 -0.80 2.22 0.00 -2.00 0.00 0.00 174.74 174.26 2khr n MET 4 N 6.06 3.22 -3.41 -0.38 -0.00 -1.26 -4.75 117.12 116.60 2khr n MET 4 Ca -0.03 -2.84 -0.02 0.00 -0.00 0.00 0.00 57.70 54.80 2khr n MET 4 Cb 0.48 -3.11 -0.05 0.00 -0.00 0.00 0.00 33.22 30.54 2khr n MET 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2khr s SER 5 N 2.34 -0.75 -0.39 3.17 0.01 -1.26 -5.12 113.70 111.70 2khr s SER 5 Ca 0.48 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 2khr s SER 5 Cb 0.13 1.81 0.00 0.00 0.21 0.00 0.00 66.02 68.18 2khr s SER 5 CO -0.06 -0.25 1.49 0.42 0.41 0.00 0.00 173.24 175.24 2khr s THR 6 N 2.75 3.82 -0.07 1.44 -4.23 -1.26 -4.94 115.64 113.15 2khr s THR 6 Ca 0.09 0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 61.14 2khr s THR 6 Cb -0.14 -4.09 -0.08 0.00 1.34 0.00 0.00 72.50 69.54 2khr s THR 6 CO -0.18 -0.68 2.08 0.59 -0.54 0.00 0.00 174.62 175.89 2khr n ASN 7 N 9.08 3.79 -0.37 3.99 4.13 -1.26 -4.85 115.26 129.77 2khr n ASN 7 Ca 0.18 0.62 0.14 0.00 1.68 0.00 0.00 54.58 57.19 2khr n ASN 7 Cb 0.48 -1.54 0.60 0.00 -1.54 0.00 0.00 39.78 37.78 2khr n ASN 7 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2khr n PRO 8 N 8.03 1.51 -4.26 3.52 -0.05 -1.26 -4.90 135.00 137.58 2khr n PRO 8 Ca 0.24 -0.74 -0.15 0.00 -0.05 0.00 0.00 63.50 62.80 2khr n PRO 8 Cb 0.42 -1.47 -0.10 0.00 -0.05 0.00 0.00 33.50 32.30 2khr n PRO 8 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 2khr s PHE 9 N -1.98 1.31 0.64 0.54 -0.12 -1.26 -5.15 117.98 111.96 2khr s PHE 9 Ca 0.39 -0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 2khr s PHE 9 Cb 0.21 -0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 2khr s PHE 9 CO 0.33 -0.05 1.03 -0.51 -0.05 0.00 0.00 175.22 175.97 2khr s ASP 10 N -3.20 5.85 -1.24 1.98 1.01 -1.26 -4.96 116.67 114.85 2khr s ASP 10 Ca 0.22 1.19 -0.17 0.00 0.71 0.00 0.00 52.55 54.50 2khr s ASP 10 Cb 0.05 -2.16 0.10 0.00 1.01 0.00 0.00 42.92 41.92 2khr s ASP 10 CO 0.03 -1.06 1.61 1.51 0.21 0.00 0.00 175.17 177.48 2khr s ASP 11 N -4.26 6.87 -0.54 0.27 -4.77 -1.26 -4.93 116.67 108.05 2khr s ASP 11 Ca 0.56 -2.51 -0.27 0.00 -3.30 0.00 0.00 52.55 47.03 2khr s ASP 11 Cb -0.11 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2khr s ASP 11 CO 0.51 -1.07 1.97 -0.62 0.70 0.00 0.00 175.17 176.66 2khr s ASP 12 N 3.88 5.18 0.33 2.11 2.15 -1.26 -4.94 116.67 124.11 2khr s ASP 12 Ca 0.50 0.64 0.10 0.00 0.43 0.00 0.00 52.55 54.21 2khr s ASP 12 Cb 0.02 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2khr s ASP 12 CO 0.04 -2.39 -0.11 0.54 -0.17 0.00 0.00 175.17 173.08 2khr s ASN 13 N 8.70 3.62 0.59 -0.34 2.20 -1.26 -5.05 114.94 123.39 2khr s ASN 13 Ca 0.76 -1.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.51 2khr s ASN 13 Cb -0.15 -0.32 0.00 0.00 -2.00 0.00 0.00 41.25 38.77 2khr s ASN 13 CO 0.24 -0.18 0.00 0.61 -2.94 0.00 0.00 177.10 174.83 2khr n GLY 14 N -0.75 0.09 4.00 0.45 0.00 -1.26 -4.73 105.19 102.99 2khr n GLY 14 Ca -0.05 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.59 4.15 0.01 4.61 0.00 -1.26 -4.93 121.76 122.76 2khr s ALA 15 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2khr s ALA 15 Cb 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2khr s ALA 15 CO 0.00 -0.95 -0.02 -0.59 0.00 0.00 0.00 175.76 174.19 2khr s PHE 16 N -2.80 0.20 0.22 0.00 -0.12 -1.26 0.93 117.98 115.14 2khr s PHE 16 Ca 0.61 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 57.27 2khr s PHE 16 Cb -0.07 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 2khr s PHE 16 CO 0.40 -0.10 0.05 -0.06 -0.05 0.00 0.00 175.22 175.45 2khr s PHE 17 N -0.83 2.87 -0.73 3.49 0.40 0.61 -3.72 117.98 120.06 2khr s PHE 17 Ca -0.09 -0.15 -0.22 0.00 -0.60 0.00 0.00 56.93 55.87 2khr s PHE 17 Cb -0.06 -1.33 0.08 0.00 0.51 0.00 0.00 43.02 42.23 2khr s PHE 17 CO -0.00 0.55 1.02 0.08 0.70 0.00 0.00 175.22 177.56 2khr s VAL 18 N -2.01 4.40 0.34 -0.44 1.01 -0.01 -2.58 120.40 121.11 2khr s VAL 18 Ca 0.30 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2khr s VAL 18 Cb -0.08 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 2khr s VAL 18 CO 0.21 -1.49 0.05 -0.22 0.00 0.00 0.00 175.10 173.65 2khr s LEU 19 N 3.80 3.06 -0.13 3.92 2.96 0.31 0.19 118.68 132.80 2khr s LEU 19 Ca 0.25 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 53.17 2khr s LEU 19 Cb -0.14 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.13 2khr s LEU 19 CO 0.05 -0.25 0.30 0.54 -1.32 0.00 0.00 176.35 175.68 2khr s VAL 20 N -2.49 -0.03 0.27 1.68 0.11 0.23 -0.26 120.40 119.91 2khr s VAL 20 Ca 0.35 0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.43 2khr s VAL 20 Cb -0.01 -0.46 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 2khr s VAL 20 CO 0.20 0.05 0.59 0.21 -3.33 0.00 0.00 175.10 172.83 2khr s ASN 21 N 1.24 6.60 0.35 3.54 3.84 -1.26 -0.88 114.94 128.38 2khr s ASN 21 Ca -0.09 0.95 0.11 0.00 0.21 0.00 0.00 52.86 54.04 2khr s ASN 21 Cb -0.09 -2.24 0.90 0.00 -0.55 0.00 0.00 41.25 39.27 2khr s ASN 21 CO -0.09 -0.14 1.79 -0.78 -2.79 0.00 0.00 177.10 175.08 2khr h ASP 22 N 2.24 0.63 -0.39 -4.21 3.58 -1.53 -0.55 116.42 116.20 2khr h ASP 22 Ca -0.47 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2khr h ASP 22 Cb 1.17 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2khr h ASP 22 CO 0.68 0.20 0.00 -0.62 -2.88 0.00 0.00 179.24 176.62 2khr n GLU 23 N -4.69 2.43 -4.42 0.28 1.02 -1.26 -4.97 120.64 109.02 2khr n GLU 23 Ca 0.23 -2.23 -0.24 0.00 -0.02 0.00 0.00 57.16 54.90 2khr n GLU 23 Cb 0.68 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.37 3.88 -0.06 1.62 2.15 -0.21 -5.06 116.67 117.62 2khr s ASP 24 Ca 0.36 -0.94 -0.22 0.00 0.43 0.00 0.00 52.55 52.18 2khr s ASP 24 Cb 0.21 -0.46 -0.31 0.00 -0.30 0.00 0.00 42.92 42.07 2khr s ASP 24 CO 0.29 -0.01 0.88 1.56 -0.17 0.00 0.00 175.17 177.73 2khr h GLN 25 N 2.12 0.27 -1.66 4.34 4.20 -1.93 -3.40 115.11 119.06 2khr h GLN 25 Ca -0.41 -0.47 0.09 0.00 0.06 0.00 0.00 58.65 57.92 2khr h GLN 25 Cb 1.26 0.17 -0.24 0.00 0.30 0.00 0.00 27.48 28.97 2khr h GLN 25 CO 0.61 1.22 0.21 -3.38 -0.67 0.00 0.00 178.83 176.82 2khr s HIS 26 N -2.41 -0.81 -0.21 2.96 -3.43 -1.26 -4.92 115.29 105.21 2khr s HIS 26 Ca -0.14 1.56 0.02 0.00 -0.80 0.00 0.00 55.06 55.70 2khr s HIS 26 Cb 0.01 0.48 0.04 0.00 -1.43 0.00 0.00 32.58 31.67 2khr s HIS 26 CO 0.82 -0.40 -0.16 -1.12 -2.00 0.00 0.00 174.74 171.88 2khr s SER 27 N 1.70 3.58 -0.57 7.38 0.01 0.65 -4.96 113.70 121.49 2khr s SER 27 Ca -0.08 -0.92 -0.20 0.00 1.31 0.00 0.00 55.95 56.05 2khr s SER 27 Cb -0.05 -1.46 0.08 0.00 0.21 0.00 0.00 66.02 64.79 2khr s SER 27 CO -0.17 -0.08 0.75 -0.76 0.41 0.00 0.00 173.24 173.39 2khr s LEU 28 N 1.25 4.94 -0.24 2.44 2.01 -1.26 -0.53 118.68 127.28 2khr s LEU 28 Ca -0.00 -1.08 -0.07 0.00 0.01 0.00 0.00 54.13 52.99 2khr s LEU 28 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 46.19 43.60 2khr s LEU 28 CO -0.10 -1.12 0.04 0.86 1.01 0.00 0.00 176.35 177.05 2khr s TRP 29 N 3.06 3.06 0.24 0.29 -0.11 -1.06 -4.92 118.94 119.50 2khr s TRP 29 Ca 0.16 -0.53 -0.30 0.00 1.22 0.00 0.00 56.10 56.65 2khr s TRP 29 Cb -0.20 -2.21 -0.10 0.00 -1.50 0.00 0.00 33.47 29.46 2khr s TRP 29 CO 0.10 -0.39 1.48 -2.14 -4.62 0.00 0.00 176.95 171.37 2khr s PRO 30 N 1.57 4.24 -1.33 5.86 0.02 -1.26 -0.29 135.00 143.81 2khr s PRO 30 Ca 0.06 2.35 -0.16 0.00 0.02 0.00 0.00 61.00 63.27 2khr s PRO 30 Cb -0.15 -3.10 0.08 0.00 0.02 0.00 0.00 34.50 31.35 2khr s PRO 30 CO 0.02 -0.48 1.84 0.28 -0.33 0.00 0.00 177.00 178.33 2khr n VAL 31 N 2.55 3.88 0.00 3.83 0.31 0.26 -3.51 118.33 125.65 2khr n VAL 31 Ca 0.08 -3.91 0.00 0.00 -0.01 0.00 0.00 64.34 60.50 2khr n VAL 31 Cb 0.40 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2khr n PHE 32 N 7.25 0.00 -3.70 3.52 7.35 -1.26 -4.07 117.46 126.56 2khr n PHE 32 Ca 0.48 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.97 2khr n PHE 32 Cb 0.43 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 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 -1.00 4.05 0.40 3.13 0.00 -1.23 -5.08 121.76 122.03 2khr s ALA 33 Ca 0.00 -1.44 -0.26 0.00 0.00 0.00 0.00 51.96 50.27 2khr s ALA 33 Cb 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 2khr s ALA 33 CO 0.00 0.06 1.24 -0.51 0.00 0.00 0.00 175.76 176.55 2khr s ASP 34 N -4.07 6.40 -0.15 0.00 1.11 -1.26 -4.98 116.67 113.72 2khr s ASP 34 Ca 0.41 2.51 -0.29 0.00 0.18 0.00 0.00 52.55 55.36 2khr s ASP 34 Cb -0.09 -2.63 -0.00 0.00 1.07 0.00 0.00 42.92 41.27 2khr s ASP 34 CO 0.29 -0.77 1.03 -0.63 1.18 0.00 0.00 175.17 176.27 2khr s ILE 35 N -1.33 4.71 0.00 0.77 1.01 -1.26 -5.04 121.20 120.06 2khr s ILE 35 Ca 0.57 2.01 0.00 0.00 0.00 0.00 0.00 60.65 63.23 2khr s ILE 35 Cb -0.35 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.83 2khr s ILE 35 CO 0.44 -0.07 0.00 -0.81 0.00 0.00 0.00 174.94 174.50 2khr n PRO 36 N 5.54 1.60 -3.72 2.79 -0.04 -1.26 -5.09 135.00 134.82 2khr n PRO 36 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 2khr n PRO 36 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.94 4.19 -0.88 0.55 0.00 -1.26 -4.68 121.76 116.73 2khr s ALA 37 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2khr s ALA 37 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2khr s ALA 37 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2khr n GLY 38 N -1.64 -0.05 3.68 0.00 0.00 -1.26 -4.91 105.19 101.01 2khr n GLY 38 Ca 0.02 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.51 3.02 -0.04 1.61 1.48 -1.26 -1.25 118.94 119.99 2khr s TRP 39 Ca 0.00 0.01 0.01 0.00 -1.06 0.00 0.00 56.10 55.06 2khr s TRP 39 Cb 0.00 -1.59 0.02 0.00 -1.16 0.00 0.00 33.47 30.74 2khr s TRP 39 CO 0.00 0.47 -0.03 0.50 -4.06 0.00 0.00 176.95 173.83 2khr s ARG 40 N -1.97 0.63 -0.27 3.25 3.52 -0.06 -4.98 118.95 119.08 2khr s ARG 40 Ca 0.23 -0.03 -0.21 0.00 -0.13 0.00 0.00 55.73 55.58 2khr s ARG 40 Cb -0.12 -0.72 -0.01 0.00 -1.56 0.00 0.00 34.95 32.54 2khr s ARG 40 CO 0.15 -0.11 0.69 0.08 -0.81 0.00 0.00 175.30 175.29 2khr s VAL 41 N 1.01 4.92 -0.05 7.11 1.01 -1.26 -0.60 120.40 132.54 2khr s VAL 41 Ca -0.10 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 2khr s VAL 41 Cb -0.14 -4.01 -0.31 0.00 0.00 0.00 0.00 36.38 31.92 2khr s VAL 41 CO -0.01 -0.07 0.74 0.58 0.00 0.00 0.00 175.10 176.35 2khr h VAL 42 N 5.47 1.12 -2.74 2.92 2.07 -0.58 -3.49 116.25 121.02 2khr h VAL 42 Ca -0.26 -2.52 0.11 0.00 0.82 0.00 0.00 66.70 64.85 2khr h VAL 42 Cb 1.11 2.88 -0.07 0.00 -1.52 0.00 0.00 31.29 33.69 2khr h VAL 42 CO 0.81 0.78 0.33 -1.00 0.02 0.00 0.00 177.57 178.52 2khr s HIS 43 N -2.53 -0.19 0.00 1.57 3.76 -1.06 -5.03 115.29 111.81 2khr s HIS 43 Ca -0.15 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2khr s HIS 43 Cb 0.04 0.67 0.00 0.00 1.11 0.00 0.00 32.58 34.40 2khr s HIS 43 CO 0.85 -1.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.09 2khr n GLY 44 N -0.45 0.90 3.45 -2.22 0.00 -1.26 -0.83 105.19 104.78 2khr n GLY 44 Ca -0.06 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 0.07 3.20 0.33 1.61 4.04 -1.24 -2.55 118.70 124.15 2khr s GLU 45 Ca 0.00 -1.02 0.08 0.00 0.04 0.00 0.00 54.97 54.07 2khr s GLU 45 Cb 0.00 -4.37 -0.06 0.00 0.02 0.00 0.00 34.13 29.71 2khr s GLU 45 CO 0.00 -1.81 -0.06 0.00 -1.84 0.00 0.00 175.26 171.56 2khr s ALA 46 N 3.79 2.72 -0.01 -0.84 0.00 -1.26 -5.00 121.76 121.17 2khr s ALA 46 Ca 0.24 -2.05 -0.39 0.00 0.00 0.00 0.00 51.96 49.76 2khr s ALA 46 Cb -0.15 0.12 -0.18 0.00 0.00 0.00 0.00 23.12 22.92 2khr s ALA 46 CO 0.06 -0.03 1.29 0.43 0.00 0.00 0.00 175.76 177.52 2khr n SER 47 N -0.74 1.09 0.07 0.00 7.64 -1.26 -4.71 113.62 115.72 2khr n SER 47 Ca -0.05 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.85 2khr n SER 47 Cb 0.64 -1.07 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 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 4.26 -0.39 -0.64 1.43 9.65 -1.98 0.25 114.38 126.95 2khr h ARG 48 Ca -0.49 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.43 2khr h ARG 48 Cb 1.37 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 30.01 2khr h ARG 48 CO 0.76 -0.26 0.42 0.00 2.80 0.00 0.00 179.97 183.69 2khr h ALA 49 N 0.40 1.53 -0.21 2.80 0.00 -1.99 -1.26 119.26 120.54 2khr h ALA 49 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2khr h ALA 49 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2khr h ALA 49 CO -0.20 0.43 -0.42 0.00 0.00 0.00 0.00 179.25 179.06 2khr h ALA 50 N 1.59 0.88 0.09 0.00 0.00 -1.57 0.16 119.26 120.41 2khr h ALA 50 Ca 0.24 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2khr h ALA 50 Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2khr h ALA 50 CO -0.05 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 2khr h LEU 52 N -0.33 0.07 0.01 0.00 3.38 -1.16 -1.28 115.31 116.01 2khr h LEU 52 Ca -0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2khr h LEU 52 Cb 0.28 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2khr h LEU 52 CO 0.02 0.08 -0.19 -0.78 0.09 0.00 0.00 178.44 177.65 2khr h ASP 53 N 0.25 -0.56 0.03 -0.43 1.82 -0.51 -1.12 116.42 115.90 2khr h ASP 53 Ca 0.19 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.92 2khr h ASP 53 Cb 0.21 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2khr h ASP 53 CO -0.23 -0.26 -0.08 0.22 -1.61 0.00 0.00 179.24 177.28 2khr h TYR 54 N -0.31 -0.21 -0.54 0.28 3.20 -0.30 -0.51 116.97 118.58 2khr h TYR 54 Ca 0.05 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2khr h TYR 54 Cb 0.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2khr h TYR 54 CO -0.23 -0.13 0.01 -0.39 -1.64 0.00 0.00 178.16 175.78 2khr h VAL 55 N -0.16 1.26 -0.03 1.81 -1.51 -1.09 -2.58 116.25 113.96 2khr h VAL 55 Ca 0.02 -1.09 -0.14 0.00 -1.23 0.00 0.00 66.70 64.26 2khr h VAL 55 Cb 0.18 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 2khr h VAL 55 CO -0.06 0.39 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.70 2khr h GLU 56 N 0.82 0.10 0.00 5.19 5.08 -1.11 -2.79 114.58 121.88 2khr h GLU 56 Ca 0.15 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2khr h GLU 56 Cb 0.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2khr h GLU 56 CO 0.03 0.71 -0.24 0.87 -1.00 0.00 0.00 179.01 179.38 2khr h LYS 57 N 0.07 0.00 -0.01 2.33 1.57 -0.89 -1.49 116.57 118.16 2khr h LYS 57 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2khr h LYS 57 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2khr h LYS 57 CO 0.09 0.24 -0.47 -0.91 -0.57 0.00 0.00 179.45 177.83 2khr h ASN 58 N 0.00 0.02 -5.57 0.86 2.35 -1.18 -3.48 115.58 108.57 2khr h ASN 58 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2khr h ASN 58 Cb 0.58 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2khr h ASN 58 CO 0.03 0.48 -1.00 1.87 -1.65 0.00 0.00 177.43 177.17 2khr n TRP 59 N -3.98 -2.65 0.36 1.19 -0.00 -0.56 -4.95 117.44 106.84 2khr n TRP 59 Ca -0.02 1.17 0.04 0.00 -0.00 0.00 0.00 57.50 58.70 2khr n TRP 59 Cb 0.49 -3.00 0.01 0.00 -0.00 0.00 0.00 31.31 28.81 2khr n TRP 59 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 2khr n THR 60 N 0.89 0.00 -1.54 5.87 5.66 -1.26 -5.02 114.28 118.88 2khr n THR 60 Ca 0.00 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2khr n THR 60 Cb 0.18 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 2khr n THR 60 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2khr n ASP 61 N -0.12 0.00 -0.08 1.09 5.75 -1.26 -5.05 116.55 116.88 2khr n ASP 61 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.84 2khr n ASP 61 Cb 0.18 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 2khr n ASP 61 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2khr n LEU 62 N 0.00 1.41 -4.57 -2.12 4.32 -1.26 -5.03 117.00 109.75 2khr n LEU 62 Ca 0.00 -1.71 -0.40 0.00 -0.02 0.00 0.00 56.01 53.88 2khr n LEU 62 Cb 0.00 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 41.60 2khr n LEU 62 CO 0.00 0.41 0.05 -0.60 -1.22 0.00 0.00 177.39 176.03 2khr s ARG 63 N -1.12 3.78 -0.64 3.23 3.52 -1.26 -5.03 118.95 121.42 2khr s ARG 63 Ca 0.08 -0.21 -0.22 0.00 -0.13 0.00 0.00 55.73 55.25 2khr s ARG 63 Cb 0.07 -3.73 0.08 0.00 -1.56 0.00 0.00 34.95 29.80 2khr s ARG 63 CO 0.01 -0.41 0.92 -1.25 -0.81 0.00 0.00 175.30 173.76 2khr s PRO 64 N 2.05 3.10 -0.07 5.12 0.04 -1.26 -5.00 135.00 138.98 2khr s PRO 64 Ca 0.13 -0.91 0.03 0.00 0.04 0.00 0.00 61.00 60.30 2khr s PRO 64 Cb -0.16 -4.23 0.01 0.00 0.04 0.00 0.00 34.50 30.15 2khr s PRO 64 CO 0.11 -1.76 -0.17 0.15 0.04 0.00 0.00 177.00 175.37 2khr s LYS 65 N 3.82 2.13 -0.17 4.56 -0.14 -1.26 -5.13 119.74 123.56 2khr s LYS 65 Ca 0.20 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 54.15 2khr s LYS 65 Cb -0.18 -1.71 0.08 0.00 -1.68 0.00 0.00 37.83 34.33 2khr s LYS 65 CO 0.10 0.12 0.36 -1.12 -0.76 0.00 0.00 175.35 174.05 2khr s SER 66 N 0.44 -0.07 0.06 2.83 0.01 -1.26 -4.95 113.70 110.75 2khr s SER 66 Ca -0.14 0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2khr s SER 66 Cb -0.16 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.12 2khr s SER 66 CO 0.05 -0.23 0.00 0.00 0.41 0.00 0.00 173.24 173.47 2khr n LEU 67 N 5.24 0.46 -2.45 2.44 -0.00 -1.26 -4.89 117.00 116.53 2khr n LEU 67 Ca -0.10 0.09 -0.12 0.00 -0.00 0.00 0.00 56.01 55.88 2khr n LEU 67 Cb 0.50 -0.12 0.03 0.00 -0.00 0.00 0.00 43.42 43.84 2khr n LEU 67 CO 0.02 -0.62 0.08 0.54 -0.00 0.00 0.00 177.39 177.41 2khr n ARG 68 N -2.97 2.62 -2.74 1.47 3.00 -1.26 -5.03 116.66 111.74 2khr n ARG 68 Ca 0.00 -3.83 -0.42 0.00 -0.01 0.00 0.00 57.85 53.59 2khr n ARG 68 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 32.46 30.51 2khr n ARG 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2khr s ASP 69 N -3.69 6.58 -0.10 0.55 1.11 -1.26 -4.94 116.67 114.91 2khr s ASP 69 Ca 0.38 -1.79 0.02 0.00 0.18 0.00 0.00 52.55 51.34 2khr s ASP 69 Cb 0.37 -2.49 0.01 0.00 1.07 0.00 0.00 42.92 41.88 2khr s ASP 69 CO -0.00 -1.27 -0.15 0.00 1.18 0.00 0.00 175.17 174.92 2khr s ALA 70 N 3.80 1.66 -0.15 5.23 0.00 -1.26 -5.08 121.76 125.96 2khr s ALA 70 Ca 0.40 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2khr s ALA 70 Cb -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2khr s ALA 70 CO -0.09 -0.02 1.00 -1.64 0.00 0.00 0.00 175.76 175.00 2khr s MET 71 N 0.90 4.35 -0.29 0.00 -1.94 -1.26 -4.98 119.30 116.07 2khr s MET 71 Ca -0.09 1.34 -0.29 0.00 -1.71 0.00 0.00 55.69 54.94 2khr s MET 71 Cb -0.15 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.10 2khr s MET 71 CO -0.00 -0.42 1.56 0.08 -0.01 0.00 0.00 175.02 176.23 2khr s VAL 72 N 2.42 3.77 -0.26 -6.03 1.01 -1.26 -4.96 120.40 115.09 2khr s VAL 72 Ca 0.46 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 2khr s VAL 72 Cb -0.17 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2khr s VAL 72 CO 0.13 -0.44 0.11 -0.70 0.00 0.00 0.00 175.10 174.20 2khr s GLU 73 N 4.83 0.28 0.00 2.72 2.56 -1.26 -5.32 118.70 122.51 2khr s GLU 73 Ca 0.68 -0.49 0.15 0.00 0.00 0.00 0.00 54.97 55.32 2khr s GLU 73 Cb -0.21 -1.52 0.12 0.00 2.00 0.00 0.00 34.13 34.53 2khr s GLU 73 CO 0.30 -0.90 0.99 -3.47 -0.56 0.00 0.00 175.26 171.62