#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 6.61 0.15 1.61 0.01 -1.26 -4.99 113.70 115.83 2khr s SER 2 Ca 0.00 1.20 -0.30 0.00 1.31 0.00 0.00 55.95 58.16 2khr s SER 2 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 2khr s SER 2 CO 0.00 -1.13 1.25 -1.00 0.41 0.00 0.00 173.24 172.77 2khr s HIS 3 N 4.56 3.37 0.05 2.43 3.76 -1.26 -5.03 115.29 123.16 2khr s HIS 3 Ca 0.58 1.27 0.07 0.00 -0.15 0.00 0.00 55.06 56.84 2khr s HIS 3 Cb -0.17 -3.50 -0.03 0.00 1.11 0.00 0.00 32.58 29.99 2khr s HIS 3 CO 0.25 -1.55 -0.21 0.00 -0.85 0.00 0.00 174.74 172.37 2khr s MET 4 N 0.33 1.41 -0.44 1.40 0.23 -1.26 -5.08 119.30 115.89 2khr s MET 4 Ca 0.57 -0.96 0.05 0.00 -1.03 0.00 0.00 55.69 54.32 2khr s MET 4 Cb -0.33 -1.53 0.17 0.00 -1.53 0.00 0.00 34.83 31.61 2khr s MET 4 CO 0.34 0.39 0.46 -1.12 -2.03 0.00 0.00 175.02 173.06 2khr s SER 5 N -1.21 0.55 -0.69 -1.18 0.01 -1.26 -5.09 113.70 104.82 2khr s SER 5 Ca 0.08 -2.54 -0.27 0.00 1.31 0.00 0.00 55.95 54.53 2khr s SER 5 Cb -0.09 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.50 2khr s SER 5 CO 0.02 -0.14 1.49 -0.89 0.41 0.00 0.00 173.24 174.13 2khr s THR 6 N 0.42 3.59 -0.43 1.44 2.01 -1.26 -4.95 115.64 116.46 2khr s THR 6 Ca 0.31 0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.59 2khr s THR 6 Cb 0.01 -4.56 0.11 0.00 0.01 0.00 0.00 72.50 68.07 2khr s THR 6 CO -0.14 -1.51 0.25 0.20 -0.69 0.00 0.00 174.62 172.74 2khr s ASN 7 N 5.34 5.41 0.00 3.53 0.01 -1.26 -4.89 114.94 123.07 2khr s ASN 7 Ca 0.47 -2.01 0.29 0.00 -0.71 0.00 0.00 52.86 50.90 2khr s ASN 7 Cb -0.10 -1.89 1.52 0.00 0.41 0.00 0.00 41.25 41.19 2khr s ASN 7 CO 0.17 -0.59 2.01 -2.65 -1.51 0.00 0.00 177.10 174.53 2khr n PRO 8 N 4.68 0.54 -4.21 -0.60 -0.02 -1.26 -4.80 135.00 129.34 2khr n PRO 8 Ca -0.04 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 2khr n PRO 8 Cb 0.41 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.29 2khr n PRO 8 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2khr s PHE 9 N -2.42 1.10 -0.12 6.00 -0.71 -1.26 -5.15 117.98 115.42 2khr s PHE 9 Ca 0.32 -0.78 -0.07 0.00 -1.04 0.00 0.00 56.93 55.35 2khr s PHE 9 Cb 0.19 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2khr s PHE 9 CO 0.41 -0.01 0.13 0.16 -1.34 0.00 0.00 175.22 174.57 2khr s ASP 10 N -2.96 6.33 0.00 1.98 -4.77 -1.26 -5.10 116.67 110.88 2khr s ASP 10 Ca 0.13 0.44 0.00 0.00 -3.30 0.00 0.00 52.55 49.81 2khr s ASP 10 Cb 0.02 -2.05 0.00 0.00 -1.09 0.00 0.00 42.92 39.80 2khr s ASP 10 CO -0.01 0.39 0.00 -0.67 0.70 0.00 0.00 175.17 175.58 2khr n ASP 11 N 2.10 1.23 -4.88 2.11 2.03 -1.26 -5.12 116.55 112.77 2khr n ASP 11 Ca -0.20 -0.13 -0.31 0.00 0.52 0.00 0.00 54.79 54.67 2khr n ASP 11 Cb 0.55 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.90 2khr n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khr s ASP 12 N 0.07 6.61 0.14 1.67 2.15 -1.26 -5.07 116.67 120.98 2khr s ASP 12 Ca 0.00 0.96 -0.16 0.00 0.43 0.00 0.00 52.55 53.79 2khr s ASP 12 Cb 0.00 -2.25 -0.07 0.00 -0.30 0.00 0.00 42.92 40.31 2khr s ASP 12 CO 0.00 -0.14 0.56 0.20 -0.17 0.00 0.00 175.17 175.62 2khr s ASN 13 N -2.55 6.89 0.92 -0.34 -0.87 -1.26 -5.08 114.94 112.65 2khr s ASN 13 Ca 0.48 1.14 -0.14 0.00 -1.57 0.00 0.00 52.86 52.77 2khr s ASN 13 Cb -0.11 -2.31 0.18 0.00 -0.02 0.00 0.00 41.25 38.99 2khr s ASN 13 CO 0.23 0.13 1.27 -0.83 -2.57 0.00 0.00 177.10 175.33 2khr s GLY 14 N -1.59 1.76 0.53 0.66 0.00 -1.26 -5.02 107.32 102.41 2khr s GLY 14 Ca 0.36 -1.22 -0.21 0.00 0.00 0.00 0.00 44.72 43.65 2khr s GLY 14 CO 0.19 -0.50 1.26 0.00 0.00 0.00 0.00 173.10 174.05 2khr s ALA 15 N -3.77 2.78 0.04 3.20 0.00 -1.26 -4.83 121.76 117.93 2khr s ALA 15 Ca 0.72 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.87 2khr s ALA 15 Cb -0.05 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2khr s ALA 15 CO 0.52 -1.11 -0.17 -0.59 0.00 0.00 0.00 175.76 174.41 2khr s PHE 16 N -1.45 1.45 0.26 0.00 -0.12 -1.26 0.02 117.98 116.87 2khr s PHE 16 Ca 0.71 -0.36 0.11 0.00 -0.05 0.00 0.00 56.93 57.34 2khr s PHE 16 Cb -0.34 -0.86 -0.05 0.00 -0.63 0.00 0.00 43.02 41.14 2khr s PHE 16 CO 0.40 0.06 -0.18 -0.06 -0.05 0.00 0.00 175.22 175.39 2khr s PHE 17 N -0.85 2.36 -0.70 3.49 0.40 0.67 -3.69 117.98 119.66 2khr s PHE 17 Ca 0.04 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 55.80 2khr s PHE 17 Cb -0.08 -1.06 0.05 0.00 0.51 0.00 0.00 43.02 42.44 2khr s PHE 17 CO 0.02 0.66 1.11 0.08 0.70 0.00 0.00 175.22 177.79 2khr s VAL 18 N -2.29 4.04 -0.16 -0.44 1.01 -0.23 -2.10 120.40 120.23 2khr s VAL 18 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2khr s VAL 18 Cb -0.06 -4.80 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2khr s VAL 18 CO 0.15 -1.65 -0.08 -0.22 0.00 0.00 0.00 175.10 173.30 2khr s LEU 19 N 4.86 2.98 -0.09 3.92 2.96 -0.15 -1.22 118.68 131.94 2khr s LEU 19 Ca 0.28 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2khr s LEU 19 Cb -0.13 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.86 2khr s LEU 19 CO 0.13 0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.38 2khr s VAL 20 N 0.55 1.87 0.32 1.68 1.01 0.29 -0.42 120.40 125.71 2khr s VAL 20 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2khr s VAL 20 Cb -0.15 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2khr s VAL 20 CO 0.03 0.52 0.64 0.20 0.00 0.00 0.00 175.10 176.49 2khr s ASN 21 N 0.37 6.52 0.54 3.32 0.01 -1.26 0.48 114.94 124.92 2khr s ASN 21 Ca -0.17 0.92 0.26 0.00 -0.71 0.00 0.00 52.86 53.16 2khr s ASN 21 Cb -0.17 -2.23 1.53 0.00 0.41 0.00 0.00 41.25 40.79 2khr s ASN 21 CO 0.08 -0.25 2.14 -0.78 -1.51 0.00 0.00 177.10 176.78 2khr h ASP 22 N 1.70 0.00 -0.24 -1.22 3.58 -1.67 -1.65 116.42 116.91 2khr h ASP 22 Ca -0.47 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 2khr h ASP 22 Cb 1.18 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2khr h ASP 22 CO 0.66 0.08 -0.09 -0.62 -2.88 0.00 0.00 179.24 176.39 2khr n GLU 23 N -3.84 2.04 -4.15 0.28 -0.58 -1.26 -5.01 120.64 108.11 2khr n GLU 23 Ca -0.02 -3.02 -0.10 0.00 -0.42 0.00 0.00 57.16 53.60 2khr n GLU 23 Cb 0.17 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.18 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 -2.49 0.91 -0.16 1.62 2.15 -0.62 -5.08 116.67 113.00 2khr s ASP 24 Ca 0.41 -1.04 -0.25 0.00 0.43 0.00 0.00 52.55 52.10 2khr s ASP 24 Cb 0.37 0.14 -0.23 0.00 -0.30 0.00 0.00 42.92 42.90 2khr s ASP 24 CO 0.02 -0.53 0.56 1.56 -0.17 0.00 0.00 175.17 176.61 2khr h GLN 25 N 2.98 0.00 -1.70 4.34 1.08 -1.95 -3.38 115.11 116.48 2khr h GLN 25 Ca -0.35 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.89 2khr h GLN 25 Cb 1.16 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.36 2khr h GLN 25 CO 0.64 0.95 0.39 -3.38 -0.95 0.00 0.00 178.83 176.49 2khr s HIS 26 N -2.24 -0.52 -0.01 2.96 -3.43 -1.26 -4.87 115.29 105.91 2khr s HIS 26 Ca -0.21 1.16 -0.12 0.00 -0.80 0.00 0.00 55.06 55.08 2khr s HIS 26 Cb -0.00 0.37 0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2khr s HIS 26 CO 0.63 -0.32 0.25 -1.12 -2.00 0.00 0.00 174.74 172.18 2khr s SER 27 N -0.22 -0.12 -0.30 7.38 0.01 0.44 -4.98 113.70 115.91 2khr s SER 27 Ca -0.00 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 2khr s SER 27 Cb -0.03 0.28 0.04 0.00 0.21 0.00 0.00 66.02 66.52 2khr s SER 27 CO -0.01 -0.41 0.01 -0.76 0.41 0.00 0.00 173.24 172.48 2khr s LEU 28 N -1.31 3.90 -0.18 2.44 2.01 -1.26 -0.98 118.68 123.31 2khr s LEU 28 Ca -0.14 -1.19 0.00 0.00 0.01 0.00 0.00 54.13 52.81 2khr s LEU 28 Cb -0.06 -1.74 0.01 0.00 0.01 0.00 0.00 46.19 44.41 2khr s LEU 28 CO 0.03 -0.26 -0.16 0.86 1.01 0.00 0.00 176.35 177.83 2khr s TRP 29 N 1.29 2.80 0.14 0.29 -0.11 -0.89 -4.94 118.94 117.52 2khr s TRP 29 Ca -0.04 -1.37 -0.30 0.00 1.22 0.00 0.00 56.10 55.61 2khr s TRP 29 Cb -0.19 -1.94 -0.07 0.00 -1.50 0.00 0.00 33.47 29.77 2khr s TRP 29 CO -0.01 -0.68 1.12 -1.25 -4.62 0.00 0.00 176.95 171.51 2khr s PRO 30 N 1.18 4.55 0.00 5.86 0.04 -1.26 -0.24 135.00 145.14 2khr s PRO 30 Ca 0.02 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2khr s PRO 30 Cb -0.14 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.11 2khr s PRO 30 CO -0.07 -0.01 0.89 1.33 0.04 0.00 0.00 177.00 179.18 2khr n VAL 31 N 2.79 0.00 0.12 -0.36 0.24 0.10 -2.34 118.33 118.87 2khr n VAL 31 Ca 0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2khr n VAL 31 Cb 0.46 -0.06 0.09 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.94 6.34 3.57 -1.92 -3.44 116.94 118.55 2khr h PHE 32 Ca 0.00 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.85 2khr h PHE 32 Cb 0.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 2khr h PHE 32 CO 0.00 0.71 -0.53 0.00 -2.23 0.00 0.00 178.31 176.25 2khr s ALA 33 N -3.27 3.76 0.11 2.41 0.00 -0.99 -5.07 121.76 118.71 2khr s ALA 33 Ca -0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 2khr s ALA 33 Cb 0.11 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 2khr s ALA 33 CO 0.77 0.70 1.39 -0.51 0.00 0.00 0.00 175.76 178.11 2khr s ASP 34 N -1.71 6.83 0.04 0.00 1.11 -1.26 -4.91 116.67 116.77 2khr s ASP 34 Ca 0.23 2.32 -0.30 0.00 0.18 0.00 0.00 52.55 54.98 2khr s ASP 34 Cb -0.12 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.23 2khr s ASP 34 CO 0.14 -0.65 1.20 -0.63 1.18 0.00 0.00 175.17 176.42 2khr s ILE 35 N 1.10 4.08 0.00 0.77 1.01 -1.26 -5.02 121.20 121.87 2khr s ILE 35 Ca 0.64 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.77 2khr s ILE 35 Cb -0.37 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2khr s ILE 35 CO 0.30 0.09 0.00 -0.81 0.00 0.00 0.00 174.94 174.52 2khr n PRO 36 N 4.19 0.00 -3.74 2.79 -0.04 -1.26 -5.10 135.00 131.84 2khr n PRO 36 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2khr n PRO 36 Cb 0.46 0.00 -0.06 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 -3.80 -0.59 -0.74 0.55 0.00 -1.26 -4.90 121.76 111.01 2khr s ALA 37 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2khr s ALA 37 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2khr s ALA 37 CO 0.00 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2khr n GLY 38 N -0.16 0.01 3.75 0.00 0.00 -1.26 -4.95 105.19 102.59 2khr n GLY 38 Ca -0.15 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.43 3.33 -0.22 1.61 1.48 -1.26 -1.63 118.94 119.81 2khr s TRP 39 Ca 0.00 0.30 0.02 0.00 -1.06 0.00 0.00 56.10 55.36 2khr s TRP 39 Cb 0.00 -1.87 0.04 0.00 -1.16 0.00 0.00 33.47 30.48 2khr s TRP 39 CO 0.00 0.54 -0.15 0.50 -4.06 0.00 0.00 176.95 173.78 2khr s ARG 40 N -0.82 2.62 -0.45 3.25 6.06 0.18 -4.97 118.95 124.82 2khr s ARG 40 Ca 0.13 -1.09 -0.26 0.00 -2.50 0.00 0.00 55.73 52.01 2khr s ARG 40 Cb -0.12 -2.75 0.03 0.00 0.06 0.00 0.00 34.95 32.17 2khr s ARG 40 CO 0.03 -0.39 0.97 0.08 -2.50 0.00 0.00 175.30 173.48 2khr s VAL 41 N 1.20 4.43 0.02 7.11 1.01 -1.26 -0.54 120.40 132.37 2khr s VAL 41 Ca -0.02 0.91 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 2khr s VAL 41 Cb -0.17 -4.46 -0.33 0.00 0.00 0.00 0.00 36.38 31.42 2khr s VAL 41 CO -0.09 -0.83 0.94 0.58 0.00 0.00 0.00 175.10 175.70 2khr h VAL 42 N 6.08 1.23 -2.88 2.92 2.07 -1.55 -3.48 116.25 120.63 2khr h VAL 42 Ca -0.24 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.50 2khr h VAL 42 Cb 1.07 2.96 -0.16 0.00 -1.52 0.00 0.00 31.29 33.64 2khr h VAL 42 CO 1.04 0.83 -0.02 -1.00 0.02 0.00 0.00 177.57 178.45 2khr s HIS 43 N -2.60 -0.36 0.00 1.57 3.76 -1.23 -5.03 115.29 111.39 2khr s HIS 43 Ca -0.10 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2khr s HIS 43 Cb 0.05 0.30 0.00 0.00 1.11 0.00 0.00 32.58 34.03 2khr s HIS 43 CO 0.92 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 2khr n GLY 44 N 0.43 0.88 3.40 -2.22 0.00 -1.26 -1.07 105.19 105.35 2khr n GLY 44 Ca -0.18 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 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 0.09 3.18 0.36 1.61 4.04 -1.24 -3.45 118.70 123.29 2khr s GLU 45 Ca 0.00 -1.36 0.09 0.00 0.04 0.00 0.00 54.97 53.74 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 -1.63 -0.02 0.00 -1.84 0.00 0.00 175.26 171.77 2khr s ALA 46 N 2.83 3.12 0.03 -0.84 0.00 -1.26 -5.01 121.76 120.63 2khr s ALA 46 Ca 0.18 -2.10 -0.39 0.00 0.00 0.00 0.00 51.96 49.65 2khr s ALA 46 Cb -0.18 -0.12 -0.19 0.00 0.00 0.00 0.00 23.12 22.63 2khr s ALA 46 CO 0.04 0.02 1.20 0.43 0.00 0.00 0.00 175.76 177.45 2khr n SER 47 N -0.91 0.75 -0.16 0.00 7.64 -1.26 -4.69 113.62 115.00 2khr n SER 47 Ca -0.04 1.14 -0.02 0.00 1.01 0.00 0.00 58.87 60.95 2khr n SER 47 Cb 0.64 -1.04 0.07 0.00 -1.01 0.00 0.00 64.21 62.87 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 3.75 0.27 -0.81 1.43 1.12 -1.98 0.16 114.38 118.33 2khr h ARG 48 Ca -0.49 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.35 2khr h ARG 48 Cb 1.39 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 31.25 2khr h ARG 48 CO 0.71 0.18 0.48 0.00 -3.11 0.00 0.00 179.97 178.23 2khr h ALA 49 N 1.37 1.03 -0.49 2.80 0.00 -1.99 -0.81 119.26 121.17 2khr h ALA 49 Ca 0.25 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2khr h ALA 49 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2khr h ALA 49 CO -0.30 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2khr h ALA 50 N 1.26 1.08 -0.26 0.00 0.00 -1.52 0.72 119.26 120.54 2khr h ALA 50 Ca 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2khr h ALA 50 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2khr h ALA 50 CO -0.05 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2khr h LEU 52 N 0.25 0.78 -0.46 0.00 -0.00 -1.00 0.06 115.31 114.94 2khr h LEU 52 Ca 0.07 -0.25 0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2khr h LEU 52 Cb 0.45 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 2khr h LEU 52 CO 0.02 0.83 0.21 -0.78 -0.00 0.00 0.00 178.44 178.72 2khr h ASP 53 N 0.70 0.27 0.13 -0.43 3.58 -0.76 -0.77 116.42 119.13 2khr h ASP 53 Ca 0.15 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2khr h ASP 53 Cb 0.37 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2khr h ASP 53 CO 0.01 0.20 -0.07 0.22 -2.88 0.00 0.00 179.24 176.71 2khr h TYR 54 N 0.41 -0.18 -0.29 0.28 5.03 0.04 -0.89 116.97 121.37 2khr h TYR 54 Ca 0.21 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.37 2khr h TYR 54 Cb 0.15 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 2khr h TYR 54 CO -0.12 -0.11 -0.41 -0.39 -1.32 0.00 0.00 178.16 175.81 2khr h VAL 55 N -0.18 1.29 -0.16 1.81 -1.51 -0.84 -2.07 116.25 114.59 2khr h VAL 55 Ca -0.01 -1.59 -0.18 0.00 -1.23 0.00 0.00 66.70 63.69 2khr h VAL 55 Cb 0.15 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2khr h VAL 55 CO 0.02 0.51 -0.63 -0.33 -1.23 0.00 0.00 177.57 175.91 2khr h GLU 56 N 0.57 0.58 0.00 5.19 4.39 -1.05 0.94 114.58 125.19 2khr h GLU 56 Ca 0.04 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2khr h GLU 56 Cb 0.95 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2khr h GLU 56 CO 0.09 1.03 0.00 0.87 -1.16 0.00 0.00 179.01 179.83 2khr h LYS 57 N 0.42 0.00 0.06 2.33 1.57 -1.11 -3.23 116.57 116.61 2khr h LYS 57 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2khr h LYS 57 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2khr h LYS 57 CO 0.12 0.00 -1.27 -0.91 -0.57 0.00 0.00 179.45 176.82 2khr h ASN 58 N 0.00 0.19 -3.30 0.86 2.35 -1.09 -3.46 115.58 111.13 2khr h ASN 58 Ca 0.00 -0.74 -0.57 0.00 -0.55 0.00 0.00 56.30 54.44 2khr h ASN 58 Cb 0.66 -0.06 -0.40 0.00 0.05 0.00 0.00 38.32 38.57 2khr h ASN 58 CO 0.00 1.53 -0.76 0.26 -1.65 0.00 0.00 177.43 176.81 2khr s TRP 59 N -2.41 1.75 0.03 1.19 0.52 0.30 -5.10 118.94 115.22 2khr s TRP 59 Ca -0.24 -1.56 -0.00 0.00 0.02 0.00 0.00 56.10 54.32 2khr s TRP 59 Cb 0.04 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 2khr s TRP 59 CO 0.69 -0.79 -0.03 -0.08 0.02 0.00 0.00 176.95 176.75 2khr s THR 60 N 1.61 0.18 -0.73 2.01 -1.32 -1.23 -4.46 115.64 111.69 2khr s THR 60 Ca 0.04 -1.15 0.23 0.00 -1.21 0.00 0.00 61.69 59.59 2khr s THR 60 Cb -0.18 -0.61 -0.11 0.00 -1.51 0.00 0.00 72.50 70.09 2khr s THR 60 CO -0.16 -0.62 1.07 -0.67 -2.21 0.00 0.00 174.62 172.03 2khr n ASP 61 N 1.21 0.64 -4.93 8.08 2.03 -1.26 -4.92 116.55 117.40 2khr n ASP 61 Ca -0.21 -0.33 -0.26 0.00 0.52 0.00 0.00 54.79 54.51 2khr n ASP 61 Cb 0.57 0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 41.71 2khr n ASP 61 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2khr s LEU 62 N -3.64 3.76 -0.44 -2.67 1.43 -1.26 -5.07 118.68 110.79 2khr s LEU 62 Ca 0.05 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2khr s LEU 62 Cb 0.15 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.94 2khr s LEU 62 CO 0.80 -0.51 0.26 -0.60 0.23 0.00 0.00 176.35 176.53 2khr s ARG 63 N -4.57 1.21 0.45 1.70 3.00 -1.26 -5.11 118.95 114.36 2khr s ARG 63 Ca 0.45 -1.99 0.04 0.00 -1.00 0.00 0.00 55.73 53.22 2khr s ARG 63 Cb -0.10 -2.15 0.01 0.00 0.00 0.00 0.00 34.95 32.71 2khr s ARG 63 CO 0.41 -1.20 0.63 -1.25 0.00 0.00 0.00 175.30 173.89 2khr s PRO 64 N 0.33 2.88 -1.31 5.12 0.04 -1.26 -5.02 135.00 135.78 2khr s PRO 64 Ca 0.20 -0.84 -0.12 0.00 0.04 0.00 0.00 61.00 60.28 2khr s PRO 64 Cb -0.20 -2.64 0.13 0.00 0.04 0.00 0.00 34.50 31.83 2khr s PRO 64 CO -0.03 -0.32 1.89 0.36 0.04 0.00 0.00 177.00 178.94 2khr n LYS 65 N -2.01 3.38 -2.99 4.56 2.85 -1.26 -4.93 118.16 117.77 2khr n LYS 65 Ca 0.04 -3.34 -0.43 0.00 -1.05 0.00 0.00 58.31 53.53 2khr n LYS 65 Cb 0.59 -3.07 -0.05 0.00 -0.65 0.00 0.00 35.03 31.85 2khr n LYS 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2khr s SER 66 N 1.92 6.28 0.30 -5.58 0.15 -1.26 -5.04 113.70 110.47 2khr s SER 66 Ca 0.43 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.46 2khr s SER 66 Cb 0.08 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2khr s SER 66 CO -0.01 -1.08 0.46 -0.76 1.20 0.00 0.00 173.24 173.05 2khr s LEU 67 N 3.32 4.15 0.00 3.45 2.01 -1.26 -5.11 118.68 125.25 2khr s LEU 67 Ca 0.23 0.25 -0.20 0.00 0.01 0.00 0.00 54.13 54.42 2khr s LEU 67 Cb -0.16 -3.09 0.07 0.00 0.01 0.00 0.00 46.19 43.03 2khr s LEU 67 CO 0.15 -0.20 0.96 -2.11 1.01 0.00 0.00 176.35 176.16 2khr n ARG 68 N -1.61 0.68 -2.01 1.70 0.00 -1.26 -5.09 116.66 109.07 2khr n ARG 68 Ca -0.07 -1.51 -0.39 0.00 -0.00 0.00 0.00 57.85 55.89 2khr n ARG 68 Cb 0.57 2.02 -0.03 0.00 -0.00 0.00 0.00 32.46 35.02 2khr n ARG 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2khr s ASP 69 N -3.29 5.30 -0.51 2.89 2.15 -1.26 -4.93 116.67 117.02 2khr s ASP 69 Ca 0.21 0.48 -0.22 0.00 0.43 0.00 0.00 52.55 53.45 2khr s ASP 69 Cb -0.03 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2khr s ASP 69 CO 0.06 -2.33 0.79 0.00 -0.17 0.00 0.00 175.17 173.52 2khr s ALA 70 N 9.00 3.27 0.02 3.66 0.00 -1.26 -5.00 121.76 131.44 2khr s ALA 70 Ca 0.70 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2khr s ALA 70 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2khr s ALA 70 CO 0.22 -2.15 0.03 0.00 0.00 0.00 0.00 175.76 173.87 2khr s MET 71 N 3.32 0.42 -0.13 0.00 0.23 -1.26 -5.16 119.30 116.72 2khr s MET 71 Ca 0.25 -0.62 -0.09 0.00 -1.03 0.00 0.00 55.69 54.19 2khr s MET 71 Cb -0.15 0.16 0.05 0.00 -1.53 0.00 0.00 34.83 33.36 2khr s MET 71 CO 0.17 -0.09 0.32 0.54 -2.03 0.00 0.00 175.02 173.94 2khr s VAL 72 N -1.81 -0.02 0.41 5.16 0.11 -1.26 -5.17 120.40 117.83 2khr s VAL 72 Ca -0.12 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.08 2khr s VAL 72 Cb -0.07 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2khr s VAL 72 CO -0.02 0.03 0.40 -1.61 -3.33 0.00 0.00 175.10 170.58 2khr s GLU 73 N 0.93 2.59 0.00 1.54 0.41 -1.26 -5.37 118.70 117.55 2khr s GLU 73 Ca -0.06 -1.48 0.23 0.00 -0.41 0.00 0.00 54.97 53.25 2khr s GLU 73 Cb -0.07 -2.44 1.39 0.00 -1.78 0.00 0.00 34.13 31.22 2khr s GLU 73 CO -0.07 -0.19 1.75 -3.47 -0.49 0.00 0.00 175.26 172.80