#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 5.83 -1.08 1.61 0.01 -1.26 -4.47 113.70 114.34 2khr s SER 2 Ca 0.00 -0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.02 2khr s SER 2 Cb 0.00 -2.08 0.22 0.00 0.21 0.00 0.00 66.02 64.37 2khr s SER 2 CO 0.00 -0.07 1.15 -2.28 0.41 0.00 0.00 173.24 172.45 2khr s HIS 3 N 1.72 3.85 -0.17 2.43 2.46 -1.26 -5.01 115.29 119.31 2khr s HIS 3 Ca 0.07 -2.28 -0.28 0.00 0.47 0.00 0.00 55.06 53.03 2khr s HIS 3 Cb -0.16 -4.02 -0.01 0.00 -0.13 0.00 0.00 32.58 28.26 2khr s HIS 3 CO 0.09 -1.14 0.97 0.00 -2.47 0.00 0.00 174.74 172.18 2khr s MET 4 N 0.21 4.33 -0.32 2.88 0.00 -1.26 -4.74 119.30 120.39 2khr s MET 4 Ca 0.32 1.27 -0.21 0.00 0.00 0.00 0.00 55.69 57.08 2khr s MET 4 Cb -0.07 -3.58 -0.00 0.00 0.00 0.00 0.00 34.83 31.17 2khr s MET 4 CO -0.06 -0.42 0.66 -1.12 0.00 0.00 0.00 175.02 174.08 2khr s SER 5 N 1.15 6.50 -0.75 -1.18 0.01 -1.26 -4.99 113.70 113.18 2khr s SER 5 Ca 0.44 0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.83 2khr s SER 5 Cb -0.17 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2khr s SER 5 CO 0.12 -0.54 1.74 0.42 0.41 0.00 0.00 173.24 175.40 2khr s THR 6 N 2.71 3.50 -0.30 1.44 -4.23 -1.26 -4.96 115.64 112.54 2khr s THR 6 Ca 0.26 -0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 2khr s THR 6 Cb -0.15 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.42 2khr s THR 6 CO 0.13 -1.19 0.20 0.21 -0.54 0.00 0.00 174.62 173.43 2khr s ASN 7 N 7.02 5.99 0.57 3.99 2.47 -1.26 -4.96 114.94 128.76 2khr s ASN 7 Ca 0.60 -0.14 0.37 0.00 0.42 0.00 0.00 52.86 54.12 2khr s ASN 7 Cb -0.09 -2.12 1.81 0.00 -1.45 0.00 0.00 41.25 39.41 2khr s ASN 7 CO 0.11 -0.10 2.12 -0.65 -3.72 0.00 0.00 177.10 174.86 2khr h PRO 8 N 8.40 0.00 -6.66 0.43 0.11 -2.01 -3.44 132.00 128.83 2khr h PRO 8 Ca -0.34 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.34 2khr h PRO 8 Cb 1.18 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.32 2khr h PRO 8 CO 0.57 0.00 -0.13 -0.06 -0.21 0.00 0.00 178.00 178.17 2khr s PHE 9 N -3.85 2.87 -0.18 0.65 0.08 -1.26 -5.03 117.98 111.26 2khr s PHE 9 Ca -0.02 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 56.94 2khr s PHE 9 Cb 0.11 -2.56 -0.07 0.00 -0.57 0.00 0.00 43.02 39.93 2khr s PHE 9 CO 0.46 -0.64 0.20 -3.47 -0.10 0.00 0.00 175.22 171.66 2khr n ASP 10 N -2.12 1.33 -4.89 1.36 2.03 -1.26 -5.05 116.55 107.95 2khr n ASP 10 Ca 0.07 -0.43 -0.20 0.00 0.52 0.00 0.00 54.79 54.75 2khr n ASP 10 Cb 0.59 1.08 -0.03 0.00 -0.72 0.00 0.00 41.12 42.05 2khr n ASP 10 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2khr s ASP 11 N -1.87 5.29 0.10 1.67 -4.77 -1.26 -5.13 116.67 110.70 2khr s ASP 11 Ca 0.01 -0.57 0.02 0.00 -3.30 0.00 0.00 52.55 48.71 2khr s ASP 11 Cb 0.04 -0.78 -0.04 0.00 -1.09 0.00 0.00 42.92 41.05 2khr s ASP 11 CO 0.23 -0.54 0.18 -0.62 0.70 0.00 0.00 175.17 175.12 2khr s ASP 12 N -4.11 6.01 -0.08 2.11 2.15 -1.26 -5.03 116.67 116.46 2khr s ASP 12 Ca 0.46 0.12 0.18 0.00 0.43 0.00 0.00 52.55 53.74 2khr s ASP 12 Cb -0.06 -1.75 -0.26 0.00 -0.30 0.00 0.00 42.92 40.55 2khr s ASP 12 CO 0.28 0.13 0.28 -3.20 -0.17 0.00 0.00 175.17 172.50 2khr n ASN 13 N 0.08 0.70 0.00 -0.34 5.15 -1.26 -4.94 115.26 114.65 2khr n ASN 13 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2khr n ASN 13 Cb 0.52 1.52 0.00 0.00 -0.53 0.00 0.00 39.78 41.29 2khr n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2khr n GLY 14 N 1.61 0.28 3.02 8.20 0.00 -1.26 -5.09 105.19 111.95 2khr n GLY 14 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.04 0.06 4.61 0.00 -1.26 -5.03 121.76 118.10 2khr s ALA 15 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.65 2khr s ALA 15 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2khr s ALA 15 CO 0.00 -0.17 -0.25 -0.59 0.00 0.00 0.00 175.76 174.75 2khr s PHE 16 N -1.36 2.35 0.23 0.00 -0.12 -1.26 0.54 117.98 118.37 2khr s PHE 16 Ca -0.15 -0.38 0.12 0.00 -0.05 0.00 0.00 56.93 56.46 2khr s PHE 16 Cb -0.09 -1.38 -0.05 0.00 -0.63 0.00 0.00 43.02 40.88 2khr s PHE 16 CO -0.00 0.18 -0.22 -0.06 -0.05 0.00 0.00 175.22 175.08 2khr s PHE 17 N -0.87 2.31 -0.60 3.49 0.40 0.53 -3.47 117.98 119.77 2khr s PHE 17 Ca 0.13 -0.34 -0.22 0.00 -0.60 0.00 0.00 56.93 55.90 2khr s PHE 17 Cb -0.10 -1.07 0.07 0.00 0.51 0.00 0.00 43.02 42.42 2khr s PHE 17 CO 0.03 0.61 0.88 0.08 0.70 0.00 0.00 175.22 177.52 2khr s VAL 18 N -2.08 4.47 -0.08 -0.44 1.01 0.19 -0.61 120.40 122.86 2khr s VAL 18 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2khr s VAL 18 Cb -0.07 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2khr s VAL 18 CO 0.13 -1.25 -0.06 -0.22 0.00 0.00 0.00 175.10 173.70 2khr s LEU 19 N 3.67 3.21 -0.07 3.92 2.96 -0.08 -1.16 118.68 131.13 2khr s LEU 19 Ca 0.22 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2khr s LEU 19 Cb -0.17 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2khr s LEU 19 CO 0.12 0.34 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.77 2khr s VAL 20 N -0.68 4.01 0.24 1.68 1.01 0.67 -0.68 120.40 126.64 2khr s VAL 20 Ca 0.10 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2khr s VAL 20 Cb -0.11 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2khr s VAL 20 CO 0.02 0.58 0.25 0.21 0.00 0.00 0.00 175.10 176.16 2khr s ASN 21 N -0.90 5.81 0.24 3.32 3.84 -1.14 -1.43 114.94 124.67 2khr s ASN 21 Ca 0.13 -0.13 -0.05 0.00 0.21 0.00 0.00 52.86 53.02 2khr s ASN 21 Cb -0.11 -1.57 0.45 0.00 -0.55 0.00 0.00 41.25 39.47 2khr s ASN 21 CO 0.02 -0.04 1.69 -0.78 -2.79 0.00 0.00 177.10 175.20 2khr h ASP 22 N 1.45 0.04 -0.00 -4.21 3.58 -1.88 -3.09 116.42 112.30 2khr h ASP 22 Ca -0.50 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2khr h ASP 22 Cb 1.23 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.46 2khr h ASP 22 CO 0.61 -0.02 -0.21 -1.84 -2.88 0.00 0.00 179.24 174.90 2khr n GLU 23 N -5.14 3.50 -4.19 0.28 0.28 -1.26 -5.02 120.64 109.09 2khr n GLU 23 Ca 0.14 -0.27 -0.28 0.00 -0.16 0.00 0.00 57.16 56.59 2khr n GLU 23 Cb 0.45 -0.89 -0.08 0.00 1.43 0.00 0.00 31.44 32.34 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2khr s ASP 24 N -1.30 4.71 -0.05 -1.84 2.15 -1.17 -5.05 116.67 114.11 2khr s ASP 24 Ca 0.04 -0.34 -0.24 0.00 0.43 0.00 0.00 52.55 52.44 2khr s ASP 24 Cb 0.05 -1.00 -0.19 0.00 -0.30 0.00 0.00 42.92 41.48 2khr s ASP 24 CO 0.21 0.14 1.01 1.56 -0.17 0.00 0.00 175.17 177.91 2khr h GLN 25 N 3.18 -0.11 -2.23 4.34 4.20 -1.96 -3.02 115.11 119.52 2khr h GLN 25 Ca -0.48 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 2khr h GLN 25 Cb 1.18 0.03 -0.22 0.00 0.30 0.00 0.00 27.48 28.77 2khr h GLN 25 CO 0.57 0.41 0.01 -3.38 -0.67 0.00 0.00 178.83 175.76 2khr s HIS 26 N -3.59 -0.71 -0.11 2.96 -3.43 -1.26 -4.59 115.29 104.56 2khr s HIS 26 Ca -0.15 1.69 -0.07 0.00 -0.80 0.00 0.00 55.06 55.74 2khr s HIS 26 Cb 0.00 0.26 0.04 0.00 -1.43 0.00 0.00 32.58 31.46 2khr s HIS 26 CO 0.57 -0.34 0.27 -1.12 -2.00 0.00 0.00 174.74 172.12 2khr s SER 27 N 0.45 -0.30 -0.44 7.38 0.01 0.14 -4.99 113.70 115.96 2khr s SER 27 Ca -0.01 0.57 -0.27 0.00 1.31 0.00 0.00 55.95 57.55 2khr s SER 27 Cb -0.05 0.48 0.03 0.00 0.21 0.00 0.00 66.02 66.69 2khr s SER 27 CO -0.01 -0.15 1.03 -0.76 0.41 0.00 0.00 173.24 173.76 2khr s LEU 28 N 1.03 3.84 -0.29 2.44 2.01 -1.26 -0.90 118.68 125.55 2khr s LEU 28 Ca -0.07 0.43 -0.07 0.00 0.01 0.00 0.00 54.13 54.42 2khr s LEU 28 Cb -0.08 -3.38 -0.00 0.00 0.01 0.00 0.00 46.19 42.73 2khr s LEU 28 CO -0.07 -1.09 0.09 0.86 1.01 0.00 0.00 176.35 177.15 2khr s TRP 29 N 3.99 3.13 0.29 0.29 -0.11 0.22 -4.87 118.94 121.89 2khr s TRP 29 Ca 0.42 -0.81 -0.29 0.00 1.22 0.00 0.00 56.10 56.65 2khr s TRP 29 Cb -0.09 -2.26 -0.10 0.00 -1.50 0.00 0.00 33.47 29.51 2khr s TRP 29 CO 0.26 -0.52 1.23 -2.14 -4.62 0.00 0.00 176.95 171.17 2khr s PRO 30 N 1.54 4.47 0.00 5.86 0.02 -1.26 -0.34 135.00 145.28 2khr s PRO 30 Ca 0.04 2.04 0.18 0.00 0.02 0.00 0.00 61.00 63.28 2khr s PRO 30 Cb -0.17 -3.13 1.01 0.00 0.02 0.00 0.00 34.50 32.24 2khr s PRO 30 CO 0.03 -0.05 1.52 1.33 -0.33 0.00 0.00 177.00 179.50 2khr n VAL 31 N 1.20 0.21 0.25 3.83 0.24 0.19 -2.22 118.33 122.03 2khr n VAL 31 Ca 0.00 0.05 0.11 0.00 -2.04 0.00 0.00 64.34 62.47 2khr n VAL 31 Cb 0.43 -0.76 0.67 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.45 6.34 3.57 -1.91 -3.43 116.94 119.06 2khr h PHE 32 Ca 0.00 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.93 2khr h PHE 32 Cb 0.08 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.72 2khr h PHE 32 CO 0.00 0.14 -0.63 0.00 -2.23 0.00 0.00 178.31 175.59 2khr s ALA 33 N -4.26 3.25 0.34 2.41 0.00 -0.94 -5.11 121.76 117.45 2khr s ALA 33 Ca -0.03 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 2khr s ALA 33 Cb 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 2khr s ALA 33 CO 0.61 0.34 1.05 0.16 0.00 0.00 0.00 175.76 177.92 2khr s ASP 34 N -3.43 7.03 -0.35 0.00 -4.77 -1.26 -4.93 116.67 108.96 2khr s ASP 34 Ca 0.30 2.09 -0.27 0.00 -3.30 0.00 0.00 52.55 51.37 2khr s ASP 34 Cb -0.08 -2.60 0.02 0.00 -1.09 0.00 0.00 42.92 39.17 2khr s ASP 34 CO 0.20 -0.30 0.99 -0.63 0.70 0.00 0.00 175.17 176.13 2khr s ILE 35 N -1.46 4.55 0.00 2.11 1.01 -1.26 -4.99 121.20 121.16 2khr s ILE 35 Ca 0.52 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2khr s ILE 35 Cb -0.25 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2khr s ILE 35 CO 0.32 -0.51 0.00 -0.81 0.00 0.00 0.00 174.94 173.94 2khr n PRO 36 N 6.81 0.00 -3.80 2.79 -0.04 -1.26 -5.11 135.00 134.39 2khr n PRO 36 Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 2khr n PRO 36 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 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 -4.00 -0.44 -1.00 0.55 0.00 -1.26 -4.87 121.76 110.73 2khr s ALA 37 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2khr s ALA 37 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2khr s ALA 37 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2khr n GLY 38 N -0.17 -0.06 3.75 0.00 0.00 -1.26 -4.73 105.19 102.72 2khr n GLY 38 Ca -0.13 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.58 3.17 -0.14 1.61 1.48 -1.26 -2.82 118.94 118.41 2khr s TRP 39 Ca 0.00 0.10 -0.02 0.00 -1.06 0.00 0.00 56.10 55.11 2khr s TRP 39 Cb 0.00 -1.65 0.05 0.00 -1.16 0.00 0.00 33.47 30.71 2khr s TRP 39 CO 0.00 0.51 0.03 0.50 -4.06 0.00 0.00 176.95 173.93 2khr s ARG 40 N -2.09 0.58 -0.39 3.25 3.52 -0.51 -4.96 118.95 118.34 2khr s ARG 40 Ca 0.26 -0.17 -0.24 0.00 -0.13 0.00 0.00 55.73 55.45 2khr s ARG 40 Cb -0.12 -1.61 0.02 0.00 -1.56 0.00 0.00 34.95 31.68 2khr s ARG 40 CO 0.18 -0.50 0.82 0.08 -0.81 0.00 0.00 175.30 175.07 2khr s VAL 41 N 1.93 4.66 -0.10 7.11 1.01 -1.26 -0.24 120.40 133.51 2khr s VAL 41 Ca 0.02 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2khr s VAL 41 Cb -0.15 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.71 2khr s VAL 41 CO -0.07 -0.55 0.43 0.52 0.00 0.00 0.00 175.10 175.43 2khr n VAL 42 N 5.97 1.62 -3.70 2.92 0.31 -0.31 -4.98 118.33 120.15 2khr n VAL 42 Ca 0.04 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.48 2khr n VAL 42 Cb 0.48 -1.20 -0.09 0.00 -0.91 0.00 0.00 33.84 32.13 2khr n VAL 42 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2khr s HIS 43 N -2.57 -0.39 0.00 3.52 2.46 -1.21 -5.01 115.29 112.09 2khr s HIS 43 Ca -0.13 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.22 2khr s HIS 43 Cb 0.07 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 2khr s HIS 43 CO 0.79 -0.36 0.00 0.41 -2.47 0.00 0.00 174.74 173.12 2khr n GLY 44 N 1.91 1.01 3.45 1.59 0.00 -1.26 -0.64 105.19 111.25 2khr n GLY 44 Ca -0.18 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 1.09 3.20 0.19 1.61 4.04 -1.23 -4.24 118.70 123.37 2khr s GLU 45 Ca 0.00 -1.06 0.01 0.00 0.04 0.00 0.00 54.97 53.96 2khr s GLU 45 Cb 0.00 -4.37 -0.05 0.00 0.02 0.00 0.00 34.13 29.73 2khr s GLU 45 CO 0.00 -1.78 0.04 0.00 -1.84 0.00 0.00 175.26 171.68 2khr s ALA 46 N 3.67 1.40 -0.06 -0.84 0.00 -1.26 -5.00 121.76 119.67 2khr s ALA 46 Ca 0.23 -1.66 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 2khr s ALA 46 Cb -0.15 0.76 -0.11 0.00 0.00 0.00 0.00 23.12 23.61 2khr s ALA 46 CO 0.06 -0.39 0.68 0.43 0.00 0.00 0.00 175.76 176.54 2khr n SER 47 N -0.29 0.15 -0.13 0.00 7.64 -1.26 -4.64 113.62 115.09 2khr n SER 47 Ca -0.04 0.67 -0.03 0.00 1.01 0.00 0.00 58.87 60.47 2khr n SER 47 Cb 0.64 -0.52 0.18 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.98 0.84 -0.44 1.43 1.12 -1.98 -0.74 114.38 116.58 2khr h ARG 48 Ca -0.28 -0.18 -0.07 0.00 -1.11 0.00 0.00 59.98 58.34 2khr h ARG 48 Cb 0.81 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 2khr h ARG 48 CO 0.42 0.77 0.00 0.00 -3.11 0.00 0.00 179.97 178.05 2khr h ALA 49 N 1.31 1.17 -0.32 2.80 0.00 -1.99 -0.00 119.26 122.24 2khr h ALA 49 Ca 0.17 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2khr h ALA 49 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2khr h ALA 49 CO 0.00 0.54 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 2khr h ALA 50 N 1.32 0.47 0.09 0.00 0.00 -1.62 -0.87 119.26 118.65 2khr h ALA 50 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2khr h ALA 50 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2khr h ALA 50 CO 0.02 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 2khr h LEU 52 N -0.24 -0.18 -0.76 0.00 4.07 -1.01 -0.94 115.31 116.25 2khr h LEU 52 Ca -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2khr h LEU 52 Cb 0.20 0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 2khr h LEU 52 CO 0.02 -0.05 0.44 -0.78 -1.08 0.00 0.00 178.44 176.98 2khr h ASP 53 N 0.06 0.92 -0.47 -0.43 3.58 -1.03 0.13 116.42 119.18 2khr h ASP 53 Ca 0.15 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.54 2khr h ASP 53 Cb 0.21 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2khr h ASP 53 CO -0.27 0.73 0.28 0.22 -2.88 0.00 0.00 179.24 177.32 2khr h TYR 54 N 1.04 0.52 -0.08 0.28 3.20 -0.35 0.05 116.97 121.64 2khr h TYR 54 Ca 0.27 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.98 2khr h TYR 54 Cb -0.00 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2khr h TYR 54 CO -0.00 0.30 -0.71 -0.39 -1.64 0.00 0.00 178.16 175.72 2khr h VAL 55 N 0.56 1.39 0.00 1.81 -1.51 -0.77 -2.93 116.25 114.80 2khr h VAL 55 Ca 0.19 -2.13 -0.07 0.00 -1.23 0.00 0.00 66.70 63.46 2khr h VAL 55 Cb 0.01 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2khr h VAL 55 CO -0.08 0.64 -0.35 -0.33 -1.23 0.00 0.00 177.57 176.21 2khr h GLU 56 N 0.25 0.00 0.00 5.19 5.08 -0.29 -2.81 114.58 122.00 2khr h GLU 56 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2khr h GLU 56 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2khr h GLU 56 CO 0.12 0.35 -0.41 1.63 -1.00 0.00 0.00 179.01 179.70 2khr n LYS 57 N -4.05 0.28 -0.28 2.33 5.02 -0.04 -4.37 118.16 117.06 2khr n LYS 57 Ca -0.02 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.47 2khr n LYS 57 Cb 0.39 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 33.87 2khr n LYS 57 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2khr n ASN 58 N -2.16 3.25 0.00 4.39 3.02 -1.06 -4.44 115.26 118.25 2khr n ASN 58 Ca 0.04 -2.53 0.04 0.00 -0.03 0.00 0.00 54.58 52.10 2khr n ASN 58 Cb 0.44 -0.37 0.22 0.00 -0.61 0.00 0.00 39.78 39.46 2khr n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 2khr n TRP 59 N -0.15 0.00 -0.15 3.10 4.27 -1.23 -3.99 117.44 119.30 2khr n TRP 59 Ca 0.15 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.91 2khr n TRP 59 Cb 0.64 0.00 0.51 0.00 -1.36 0.00 0.00 31.31 31.09 2khr n TRP 59 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 2khr h THR 60 N 0.00 0.82 -0.00 -1.67 2.02 -1.92 0.15 112.91 112.31 2khr h THR 60 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2khr h THR 60 Cb 0.00 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2khr h THR 60 CO 0.00 0.07 -0.08 0.47 0.37 0.00 0.00 175.52 176.36 2khr n ASP 61 N -4.47 0.19 0.00 4.18 8.00 -1.26 -4.29 116.55 118.91 2khr n ASP 61 Ca 0.13 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2khr n ASP 61 Cb 0.50 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2khr n ASP 61 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2khr n LEU 62 N -1.24 0.40 -3.58 0.64 7.99 0.04 -5.03 117.00 116.21 2khr n LEU 62 Ca 0.12 0.23 -0.01 0.00 -0.01 0.00 0.00 56.01 56.34 2khr n LEU 62 Cb 0.28 -0.39 -0.05 0.00 -0.11 0.00 0.00 43.42 43.15 2khr n LEU 62 CO 0.25 -0.39 0.40 -0.60 -1.51 0.00 0.00 177.39 175.54 2khr s ARG 63 N -0.78 0.50 0.92 3.23 3.52 -1.22 -5.17 118.95 119.95 2khr s ARG 63 Ca 0.00 1.16 -0.14 0.00 -0.13 0.00 0.00 55.73 56.62 2khr s ARG 63 Cb 0.00 0.60 0.15 0.00 -1.56 0.00 0.00 34.95 34.14 2khr s ARG 63 CO 0.00 -0.16 1.21 -2.14 -0.81 0.00 0.00 175.30 173.40 2khr s PRO 64 N 2.48 1.01 0.00 5.12 0.02 -1.26 -4.06 135.00 138.31 2khr s PRO 64 Ca -0.06 -0.02 0.00 0.00 0.02 0.00 0.00 61.00 60.94 2khr s PRO 64 Cb -0.09 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2khr s PRO 64 CO -0.18 -2.22 0.00 1.63 -0.33 0.00 0.00 177.00 175.89 2khr n LYS 65 N -3.72 -0.60 -3.61 5.54 4.01 -1.26 -4.94 118.16 113.58 2khr n LYS 65 Ca 0.10 0.15 -0.40 0.00 -0.51 0.00 0.00 58.31 57.65 2khr n LYS 65 Cb 0.60 -4.25 -0.11 0.00 -0.51 0.00 0.00 35.03 30.76 2khr n LYS 65 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2khr s SER 66 N -2.14 5.69 0.28 4.39 0.15 -1.26 -5.02 113.70 115.80 2khr s SER 66 Ca 0.00 -0.81 -0.16 0.00 0.70 0.00 0.00 55.95 55.68 2khr s SER 66 Cb 0.00 -2.02 0.06 0.00 -1.71 0.00 0.00 66.02 62.34 2khr s SER 66 CO 0.00 -0.32 0.79 0.00 1.20 0.00 0.00 173.24 174.91 2khr n LEU 67 N 5.00 0.00 -4.30 3.45 -0.00 -1.26 -5.08 117.00 114.81 2khr n LEU 67 Ca -0.12 -1.92 -0.20 0.00 -0.00 0.00 0.00 56.01 53.76 2khr n LEU 67 Cb 0.47 3.08 -0.08 0.00 -0.00 0.00 0.00 43.42 46.89 2khr n LEU 67 CO 0.36 -0.64 -0.11 0.00 -0.00 0.00 0.00 177.39 177.00 2khr s ARG 68 N -2.07 1.79 0.59 1.47 1.70 -1.26 -5.15 118.95 116.02 2khr s ARG 68 Ca 0.17 -2.04 -0.16 0.00 -0.47 0.00 0.00 55.73 53.22 2khr s ARG 68 Cb -0.04 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2khr s ARG 68 CO 0.08 -0.65 1.06 0.16 -1.08 0.00 0.00 175.30 174.87 2khr s ASP 69 N -3.39 5.81 -0.66 -2.89 -4.77 -1.26 -5.01 116.67 104.49 2khr s ASP 69 Ca 0.40 1.83 0.05 0.00 -3.30 0.00 0.00 52.55 51.53 2khr s ASP 69 Cb 0.02 -2.54 0.19 0.00 -1.09 0.00 0.00 42.92 39.51 2khr s ASP 69 CO 0.28 -1.15 0.55 0.00 0.70 0.00 0.00 175.17 175.55 2khr n ALA 70 N -1.96 3.51 -1.77 2.11 0.00 -1.26 -5.10 120.51 116.03 2khr n ALA 70 Ca 0.09 -4.45 -0.38 0.00 0.00 0.00 0.00 53.44 48.70 2khr n ALA 70 Cb 0.53 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.59 3.82 0.33 0.00 0.00 -1.26 -5.02 119.30 115.58 2khr s MET 71 Ca 0.29 1.83 -0.12 0.00 0.00 0.00 0.00 55.69 57.70 2khr s MET 71 Cb 0.02 -2.49 -0.07 0.00 0.00 0.00 0.00 34.83 32.28 2khr s MET 71 CO -0.13 -0.51 0.70 0.14 0.00 0.00 0.00 175.02 175.21 2khr s VAL 72 N -1.48 4.79 -0.68 10.11 -7.23 -1.26 -5.03 120.40 119.62 2khr s VAL 72 Ca 0.62 0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 61.28 2khr s VAL 72 Cb -0.30 -3.66 0.12 0.00 0.56 0.00 0.00 36.38 33.10 2khr s VAL 72 CO 0.37 -0.29 0.79 -0.70 -0.31 0.00 0.00 175.10 174.96 2khr s GLU 73 N -3.28 3.21 0.00 4.82 -6.30 -1.26 -5.33 118.70 110.56 2khr s GLU 73 Ca 0.51 -1.52 0.00 0.00 -2.50 0.00 0.00 54.97 51.46 2khr s GLU 73 Cb -0.10 -4.39 0.00 0.00 0.00 0.00 0.00 34.13 29.64 2khr s GLU 73 CO 0.24 -1.56 0.14 -3.47 0.02 0.00 0.00 175.26 170.62