#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 0.00 -4.23 1.61 7.64 -1.26 -4.81 113.62 112.58 2khr n SER 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2khr n SER 2 Cb 0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 2khr n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2khr s HIS 3 N -0.27 3.75 -0.62 1.43 0.09 -1.26 -4.99 115.29 113.42 2khr s HIS 3 Ca 0.00 -2.48 -0.15 0.00 -0.00 0.00 0.00 55.06 52.42 2khr s HIS 3 Cb 0.00 -3.54 0.15 0.00 -0.00 0.00 0.00 32.58 29.19 2khr s HIS 3 CO 0.00 -0.90 0.58 -1.64 -0.00 0.00 0.00 174.74 172.78 2khr s MET 4 N -0.37 3.16 -0.55 1.40 -1.94 -1.26 -5.01 119.30 114.74 2khr s MET 4 Ca 0.21 -1.92 -0.27 0.00 -1.71 0.00 0.00 55.69 52.00 2khr s MET 4 Cb -0.13 -4.34 -0.01 0.00 2.01 0.00 0.00 34.83 32.36 2khr s MET 4 CO -0.08 -1.32 1.77 -1.12 -0.01 0.00 0.00 175.02 174.26 2khr s SER 5 N 3.20 5.55 0.34 3.03 0.01 -1.26 -4.95 113.70 119.62 2khr s SER 5 Ca 0.07 0.52 -0.29 0.00 1.31 0.00 0.00 55.95 57.57 2khr s SER 5 Cb -0.24 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.34 2khr s SER 5 CO -0.00 -2.12 1.55 0.42 0.41 0.00 0.00 173.24 173.49 2khr s THR 6 N 8.09 2.02 -0.48 1.44 -4.23 -1.26 -4.98 115.64 116.24 2khr s THR 6 Ca 0.67 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 2khr s THR 6 Cb -0.14 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.81 2khr s THR 6 CO 0.24 0.00 0.35 0.21 -0.54 0.00 0.00 174.62 174.88 2khr s ASN 7 N 0.17 5.69 0.00 3.99 2.47 -1.26 -4.88 114.94 121.12 2khr s ASN 7 Ca 0.58 -1.96 0.24 0.00 0.42 0.00 0.00 52.86 52.14 2khr s ASN 7 Cb -0.47 -2.00 0.50 0.00 -1.45 0.00 0.00 41.25 37.82 2khr s ASN 7 CO 0.56 -0.68 1.43 -0.81 -3.72 0.00 0.00 177.10 173.89 2khr n PRO 8 N 4.84 2.19 -0.05 0.43 -0.04 -1.26 -4.56 135.00 136.56 2khr n PRO 8 Ca -0.07 -1.77 -0.04 0.00 -0.04 0.00 0.00 63.50 61.58 2khr n PRO 8 Cb 0.41 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2khr n PRO 8 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2khr n PHE 9 N 1.05 0.45 -2.39 0.54 3.72 -1.26 -4.97 117.46 114.60 2khr n PHE 9 Ca 0.17 0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.52 2khr n PHE 9 Cb 0.52 -0.52 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2khr n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2khr s ASP 10 N -5.02 5.18 -0.53 4.37 1.01 -1.26 -5.05 116.67 115.38 2khr s ASP 10 Ca -0.12 0.43 -0.04 0.00 0.71 0.00 0.00 52.55 53.53 2khr s ASP 10 Cb 0.02 -1.25 0.14 0.00 1.01 0.00 0.00 42.92 42.83 2khr s ASP 10 CO 0.18 -1.31 0.34 -0.62 0.21 0.00 0.00 175.17 173.97 2khr s ASP 11 N -4.42 5.32 0.39 0.27 2.15 -1.26 -4.95 116.67 114.17 2khr s ASP 11 Ca 0.57 -2.42 -0.08 0.00 0.43 0.00 0.00 52.55 51.05 2khr s ASP 11 Cb -0.11 -1.87 -0.06 0.00 -0.30 0.00 0.00 42.92 40.59 2khr s ASP 11 CO 0.43 -0.48 0.72 -1.81 -0.17 0.00 0.00 175.17 173.86 2khr s ASP 12 N 1.38 6.46 0.29 -0.34 1.01 -1.26 -5.10 116.67 119.11 2khr s ASP 12 Ca 0.12 1.00 0.08 0.00 0.71 0.00 0.00 52.55 54.46 2khr s ASP 12 Cb -0.22 -2.27 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2khr s ASP 12 CO -0.04 -0.38 -0.10 0.54 0.21 0.00 0.00 175.17 175.41 2khr s ASN 13 N -3.30 3.14 0.00 0.27 4.22 -1.26 -5.12 114.94 112.88 2khr s ASN 13 Ca 0.49 -1.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.06 2khr s ASN 13 Cb -0.10 -0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.19 2khr s ASN 13 CO 0.33 -0.23 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 2khr n GLY 14 N -0.63 -0.88 3.77 0.45 0.00 -1.26 -5.12 105.19 101.52 2khr n GLY 14 Ca -0.06 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.00 3.25 0.03 4.61 0.00 -1.26 -4.97 121.76 122.41 2khr s ALA 15 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.58 2khr s ALA 15 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2khr s ALA 15 CO 0.00 0.15 -0.12 -0.59 0.00 0.00 0.00 175.76 175.20 2khr s PHE 16 N -1.48 1.05 0.30 0.00 -0.12 -1.26 -0.24 117.98 116.23 2khr s PHE 16 Ca 0.48 -0.34 0.10 0.00 -0.05 0.00 0.00 56.93 57.11 2khr s PHE 16 Cb -0.21 -0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 41.50 2khr s PHE 16 CO 0.27 0.01 -0.01 -0.06 -0.05 0.00 0.00 175.22 175.38 2khr s PHE 17 N -0.83 2.59 -0.72 3.49 0.40 0.96 -3.60 117.98 120.27 2khr s PHE 17 Ca -0.00 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 2khr s PHE 17 Cb -0.07 -1.32 0.10 0.00 0.51 0.00 0.00 43.02 42.23 2khr s PHE 17 CO 0.01 0.55 0.94 0.08 0.70 0.00 0.00 175.22 177.50 2khr s VAL 18 N -2.43 4.58 -0.15 -0.44 1.01 -0.30 -1.90 120.40 120.77 2khr s VAL 18 Ca 0.33 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2khr s VAL 18 Cb -0.04 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 2khr s VAL 18 CO 0.19 -1.38 -0.07 -0.22 0.00 0.00 0.00 175.10 173.63 2khr s LEU 19 N 3.26 3.03 0.03 3.92 2.96 -0.27 -0.93 118.68 130.69 2khr s LEU 19 Ca 0.22 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 2khr s LEU 19 Cb -0.15 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2khr s LEU 19 CO 0.04 0.15 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.27 2khr s VAL 20 N 0.46 2.04 0.00 1.68 1.01 -0.44 -0.87 120.40 124.28 2khr s VAL 20 Ca -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2khr s VAL 20 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2khr s VAL 20 CO 0.03 0.39 0.00 0.59 0.00 0.00 0.00 175.10 176.12 2khr n ASN 21 N 1.94 1.97 -0.09 3.32 3.02 0.55 0.42 115.26 126.39 2khr n ASN 21 Ca -0.17 -0.89 -0.12 0.00 -0.03 0.00 0.00 54.58 53.38 2khr n ASN 21 Cb 0.52 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 2khr n ASN 21 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2khr h ASP 22 N 0.00 0.52 -0.00 6.41 2.03 -1.84 -3.30 116.42 120.24 2khr h ASP 22 Ca 0.00 -0.36 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2khr h ASP 22 Cb 0.00 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 2khr h ASP 22 CO 0.00 0.76 -0.22 -0.62 -1.03 0.00 0.00 179.24 178.13 2khr n GLU 23 N -4.53 3.47 -3.09 4.15 1.02 -1.26 -4.93 120.64 115.47 2khr n GLU 23 Ca -0.03 -0.27 -0.43 0.00 -0.02 0.00 0.00 57.16 56.40 2khr n GLU 23 Cb 0.30 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 2khr n GLU 23 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2khr s ASP 24 N -1.33 6.26 0.13 1.62 1.01 -1.24 -4.93 116.67 118.18 2khr s ASP 24 Ca 0.04 -0.75 -0.15 0.00 0.71 0.00 0.00 52.55 52.41 2khr s ASP 24 Cb 0.05 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 2khr s ASP 24 CO 0.22 -0.94 1.58 1.56 0.21 0.00 0.00 175.17 177.79 2khr h GLN 25 N 9.04 0.71 -1.99 8.23 1.08 -1.92 0.16 115.11 130.43 2khr h GLN 25 Ca -0.27 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2khr h GLN 25 Cb 1.09 -0.07 -0.21 0.00 -0.05 0.00 0.00 27.48 28.24 2khr h GLN 25 CO 0.98 0.79 0.00 -3.38 -0.95 0.00 0.00 178.83 176.27 2khr s HIS 26 N -5.03 -1.11 -0.05 2.96 -3.43 -1.26 -4.74 115.29 102.63 2khr s HIS 26 Ca -0.13 2.15 -0.04 0.00 -0.80 0.00 0.00 55.06 56.25 2khr s HIS 26 Cb 0.10 0.66 0.02 0.00 -1.43 0.00 0.00 32.58 31.94 2khr s HIS 26 CO 0.79 -0.55 0.13 -1.12 -2.00 0.00 0.00 174.74 172.00 2khr s SER 27 N 1.85 -0.12 -0.60 7.38 0.01 -0.05 -5.02 113.70 117.15 2khr s SER 27 Ca -0.09 0.27 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 2khr s SER 27 Cb -0.06 0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.45 2khr s SER 27 CO -0.20 -0.09 0.87 -0.76 0.41 0.00 0.00 173.24 173.48 2khr s LEU 28 N 0.54 4.50 -0.19 2.44 2.01 -1.26 -1.11 118.68 125.61 2khr s LEU 28 Ca -0.04 -0.84 -0.05 0.00 0.01 0.00 0.00 54.13 53.20 2khr s LEU 28 Cb -0.05 -2.53 -0.03 0.00 0.01 0.00 0.00 46.19 43.59 2khr s LEU 28 CO -0.02 -1.26 0.01 0.86 1.01 0.00 0.00 176.35 176.95 2khr s TRP 29 N 3.65 3.08 0.20 0.29 -0.11 -0.80 -4.87 118.94 120.38 2khr s TRP 29 Ca 0.22 -0.31 -0.31 0.00 1.22 0.00 0.00 56.10 56.91 2khr s TRP 29 Cb -0.17 -2.07 -0.11 0.00 -1.50 0.00 0.00 33.47 29.62 2khr s TRP 29 CO 0.13 -0.13 1.59 -1.25 -4.62 0.00 0.00 176.95 172.67 2khr s PRO 30 N 0.81 4.19 0.54 5.86 0.04 -1.26 -0.03 135.00 145.16 2khr s PRO 30 Ca 0.01 2.44 0.29 0.00 0.04 0.00 0.00 61.00 63.77 2khr s PRO 30 Cb -0.14 -3.12 1.57 0.00 0.04 0.00 0.00 34.50 32.85 2khr s PRO 30 CO 0.02 -0.63 2.12 0.28 0.04 0.00 0.00 177.00 178.84 2khr h VAL 31 N 3.85 0.52 -0.17 -0.36 2.07 -0.94 -1.03 116.25 120.19 2khr h VAL 31 Ca -0.43 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2khr h VAL 31 Cb 1.21 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2khr h VAL 31 CO 0.90 0.08 0.00 0.49 0.02 0.00 0.00 177.57 179.06 2khr n PHE 32 N -3.66 0.22 -4.31 1.57 3.72 -1.26 -4.76 117.46 108.98 2khr n PHE 32 Ca -0.02 -0.11 -0.34 0.00 -0.05 0.00 0.00 57.45 56.93 2khr n PHE 32 Cb 0.20 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.63 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2khr s ALA 33 N -1.78 3.13 0.12 4.37 0.00 -0.39 -5.01 121.76 122.21 2khr s ALA 33 Ca 0.26 -0.80 -0.33 0.00 0.00 0.00 0.00 51.96 51.09 2khr s ALA 33 Cb 0.13 -1.62 -0.13 0.00 0.00 0.00 0.00 23.12 21.51 2khr s ALA 33 CO 0.20 0.27 1.71 -0.25 0.00 0.00 0.00 175.76 177.69 2khr n ASP 34 N 3.30 3.52 -4.75 0.00 8.00 -1.26 -4.90 116.55 120.45 2khr n ASP 34 Ca -0.17 1.04 -0.38 0.00 0.71 0.00 0.00 54.79 55.99 2khr n ASP 34 Cb 0.53 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 2khr n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2khr s ILE 35 N 1.82 5.16 0.00 0.53 1.01 -1.26 -4.92 121.20 123.54 2khr s ILE 35 Ca 0.81 0.87 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2khr s ILE 35 Cb -0.61 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2khr s ILE 35 CO 0.39 0.39 0.00 -0.81 0.00 0.00 0.00 174.94 174.91 2khr n PRO 36 N 3.24 2.32 -4.58 2.79 -0.04 -1.26 -5.08 135.00 132.38 2khr n PRO 36 Ca -0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 2khr n PRO 36 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 -3.02 1.31 0.00 0.55 0.00 -1.26 -4.84 121.76 114.50 2khr s ALA 37 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2khr s ALA 37 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2khr s ALA 37 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2khr n GLY 38 N 2.31 2.00 3.60 0.00 0.00 -1.26 -5.01 105.19 106.82 2khr n GLY 38 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 2.20 -0.14 1.61 1.48 -1.26 -2.23 118.94 118.60 2khr s TRP 39 Ca 0.00 -0.85 -0.06 0.00 -1.06 0.00 0.00 56.10 54.13 2khr s TRP 39 Cb 0.00 -1.58 0.06 0.00 -1.16 0.00 0.00 33.47 30.79 2khr s TRP 39 CO 0.00 0.24 0.30 0.50 -4.06 0.00 0.00 176.95 173.93 2khr s ARG 40 N -3.79 0.24 -0.45 3.25 3.00 0.17 -4.96 118.95 116.41 2khr s ARG 40 Ca 0.29 0.71 -0.23 0.00 -1.00 0.00 0.00 55.73 55.50 2khr s ARG 40 Cb 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 34.95 35.03 2khr s ARG 40 CO 0.14 -0.21 0.79 0.08 0.00 0.00 0.00 175.30 176.10 2khr s VAL 41 N 1.83 4.64 0.10 7.11 1.01 -1.26 -1.33 120.40 132.50 2khr s VAL 41 Ca -0.05 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 2khr s VAL 41 Cb -0.11 -4.33 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 2khr s VAL 41 CO -0.10 -0.72 1.23 0.58 0.00 0.00 0.00 175.10 176.09 2khr h VAL 42 N 5.98 1.34 -2.66 2.92 2.07 -1.42 -3.47 116.25 121.02 2khr h VAL 42 Ca -0.25 -2.39 -0.10 0.00 0.82 0.00 0.00 66.70 64.79 2khr h VAL 42 Cb 1.09 2.45 -0.20 0.00 -1.52 0.00 0.00 31.29 33.11 2khr h VAL 42 CO 0.96 0.72 -0.11 -1.00 0.02 0.00 0.00 177.57 178.17 2khr s HIS 43 N -3.24 -0.35 0.00 1.57 3.76 -1.23 -5.03 115.29 110.77 2khr s HIS 43 Ca -0.08 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 2khr s HIS 43 Cb 0.08 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.97 2khr s HIS 43 CO 0.90 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.73 2khr n GLY 44 N 1.16 -1.12 3.55 -2.22 0.00 -1.26 -1.15 105.19 104.15 2khr n GLY 44 Ca -0.21 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 3.09 0.36 1.61 -1.05 -1.24 -4.06 118.70 117.42 2khr s GLU 45 Ca 0.00 -0.20 0.09 0.00 -0.15 0.00 0.00 54.97 54.70 2khr s GLU 45 Cb 0.00 -4.47 -0.07 0.00 -0.44 0.00 0.00 34.13 29.15 2khr s GLU 45 CO 0.00 -2.36 -0.05 0.00 0.95 0.00 0.00 175.26 173.80 2khr s ALA 46 N 6.61 3.05 -0.08 -0.84 0.00 -1.26 -4.99 121.76 124.25 2khr s ALA 46 Ca 0.46 -2.15 -0.37 0.00 0.00 0.00 0.00 51.96 49.90 2khr s ALA 46 Cb -0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 23.12 22.86 2khr s ALA 46 CO 0.11 0.02 1.04 0.43 0.00 0.00 0.00 175.76 177.36 2khr n SER 47 N -0.86 0.19 -0.13 0.00 7.64 -1.26 -4.70 113.62 114.48 2khr n SER 47 Ca -0.05 1.04 -0.05 0.00 1.01 0.00 0.00 58.87 60.82 2khr n SER 47 Cb 0.64 -0.82 0.04 0.00 -1.01 0.00 0.00 64.21 63.07 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 3.00 0.33 -0.60 1.43 9.65 -1.97 -0.04 114.38 126.19 2khr h ARG 48 Ca -0.44 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 2khr h ARG 48 Cb 1.27 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 2khr h ARG 48 CO 0.63 0.22 0.34 0.00 2.80 0.00 0.00 179.97 183.96 2khr h ALA 49 N 1.27 0.76 -0.70 2.80 0.00 -2.00 -1.11 119.26 120.29 2khr h ALA 49 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2khr h ALA 49 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2khr h ALA 49 CO -0.19 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.52 2khr h ALA 50 N 1.16 1.01 -0.35 0.00 0.00 -1.75 -1.24 119.26 118.08 2khr h ALA 50 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 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 -0.04 0.65 0.06 0.00 0.00 0.00 0.00 179.25 179.92 2khr h LEU 52 N 0.42 0.24 -0.52 0.00 -0.00 -1.04 0.17 115.31 114.58 2khr h LEU 52 Ca 0.11 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.04 2khr h LEU 52 Cb 0.36 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.90 2khr h LEU 52 CO 0.01 0.17 0.21 -0.78 -0.00 0.00 0.00 178.44 178.06 2khr h ASP 53 N 0.28 0.26 0.16 -0.43 3.58 -1.09 -0.82 116.42 118.35 2khr h ASP 53 Ca 0.08 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2khr h ASP 53 Cb -0.03 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2khr h ASP 53 CO -0.02 0.18 -0.08 0.22 -2.88 0.00 0.00 179.24 176.66 2khr h TYR 54 N 0.42 -0.20 -0.26 0.28 5.03 -0.56 -1.26 116.97 120.42 2khr h TYR 54 Ca 0.24 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.46 2khr h TYR 54 Cb 0.23 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2khr h TYR 54 CO -0.14 -0.09 -0.24 -0.39 -1.32 0.00 0.00 178.16 175.98 2khr h VAL 55 N -0.25 1.26 -0.09 1.81 -1.51 -0.33 0.12 116.25 117.27 2khr h VAL 55 Ca -0.02 -1.25 -0.07 0.00 -1.23 0.00 0.00 66.70 64.13 2khr h VAL 55 Cb 0.19 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2khr h VAL 55 CO 0.04 0.40 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.23 2khr h GLU 56 N 0.44 0.30 0.00 5.19 4.39 -1.08 -3.00 114.58 120.81 2khr h GLU 56 Ca 0.07 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2khr h GLU 56 Cb 0.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2khr h GLU 56 CO 0.05 0.81 -0.20 0.87 -1.16 0.00 0.00 179.01 179.38 2khr h LYS 57 N -0.16 0.00 -0.22 2.33 1.57 -1.10 -2.00 116.57 116.99 2khr h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2khr h LYS 57 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2khr h LYS 57 CO 0.05 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.22 2khr n ASN 58 N -3.42 1.28 0.00 0.86 5.03 0.02 -4.33 115.26 114.70 2khr n ASN 58 Ca -0.00 -1.91 0.00 0.00 0.87 0.00 0.00 54.58 53.54 2khr n ASN 58 Cb 0.39 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 2khr n ASN 58 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2khr n TRP 59 N 0.17 0.00 -3.65 3.10 -0.00 -0.78 -5.03 117.44 111.26 2khr n TRP 59 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.53 2khr n TRP 59 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.46 2khr n TRP 59 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2khr s THR 60 N -0.92 -0.10 0.38 5.87 2.01 -1.05 -5.12 115.64 116.71 2khr s THR 60 Ca 0.00 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.06 2khr s THR 60 Cb 0.00 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 2khr s THR 60 CO 0.00 0.00 0.04 1.51 -0.69 0.00 0.00 174.62 175.49 2khr s ASP 61 N 1.74 3.15 -0.01 3.53 -4.77 -1.26 -4.72 116.67 114.33 2khr s ASP 61 Ca -0.10 -1.43 0.01 0.00 -3.30 0.00 0.00 52.55 47.73 2khr s ASP 61 Cb -0.06 -0.09 0.01 0.00 -1.09 0.00 0.00 42.92 41.69 2khr s ASP 61 CO -0.19 -0.60 0.91 0.00 0.70 0.00 0.00 175.17 175.99 2khr n LEU 62 N -0.87 0.12 -3.06 2.11 -0.00 -1.26 -4.99 117.00 109.05 2khr n LEU 62 Ca -0.05 -0.91 0.02 0.00 -0.00 0.00 0.00 56.01 55.07 2khr n LEU 62 Cb 0.67 -0.02 -0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2khr n LEU 62 CO 0.44 0.22 0.24 -0.60 -0.00 0.00 0.00 177.39 177.69 2khr s ARG 63 N -0.13 0.55 -0.76 1.47 3.52 -1.26 -5.11 118.95 117.23 2khr s ARG 63 Ca 0.01 -0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.25 2khr s ARG 63 Cb 0.01 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2khr s ARG 63 CO 0.00 -0.82 1.78 -2.14 -0.81 0.00 0.00 175.30 173.31 2khr s PRO 64 N 2.03 2.76 -0.25 5.12 0.02 -1.26 -4.96 135.00 138.47 2khr s PRO 64 Ca 0.16 0.04 -0.22 0.00 0.02 0.00 0.00 61.00 61.00 2khr s PRO 64 Cb -0.02 -4.68 -0.01 0.00 0.02 0.00 0.00 34.50 29.80 2khr s PRO 64 CO -0.12 -2.83 0.70 0.21 -0.33 0.00 0.00 177.00 174.63 2khr s LYS 65 N 6.68 4.14 -0.31 5.54 2.47 -1.26 -4.99 119.74 132.02 2khr s LYS 65 Ca 0.62 0.69 -0.34 0.00 -1.56 0.00 0.00 55.97 55.38 2khr s LYS 65 Cb -0.09 -3.64 -0.10 0.00 -1.46 0.00 0.00 37.83 32.54 2khr s LYS 65 CO 0.10 -0.43 2.18 0.43 0.16 0.00 0.00 175.35 177.78 2khr n SER 66 N 5.76 2.44 -4.28 1.43 7.64 -1.26 -4.92 113.62 120.43 2khr n SER 66 Ca 0.01 0.40 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 2khr n SER 66 Cb 0.48 -1.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.24 2khr n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2khr s LEU 67 N 7.32 4.75 -0.19 -3.43 2.34 -1.26 -5.03 118.68 123.19 2khr s LEU 67 Ca 1.07 -1.29 -0.04 0.00 0.06 0.00 0.00 54.13 53.93 2khr s LEU 67 Cb -0.74 -1.94 0.09 0.00 -0.56 0.00 0.00 46.19 43.04 2khr s LEU 67 CO 0.46 -0.43 0.27 -0.60 -1.06 0.00 0.00 176.35 175.00 2khr s ARG 68 N 1.43 0.21 0.35 1.48 3.52 -1.26 -5.15 118.95 119.53 2khr s ARG 68 Ca 0.01 0.48 0.06 0.00 -0.13 0.00 0.00 55.73 56.15 2khr s ARG 68 Cb -0.21 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.53 2khr s ARG 68 CO 0.03 -0.52 0.23 0.34 -0.81 0.00 0.00 175.30 174.57 2khr s ASP 69 N 2.41 1.90 -0.74 -2.12 -1.08 -1.26 -5.07 116.67 110.71 2khr s ASP 69 Ca 0.06 -1.73 -0.26 0.00 -0.52 0.00 0.00 52.55 50.11 2khr s ASP 69 Cb -0.14 0.54 -0.02 0.00 -1.46 0.00 0.00 42.92 41.84 2khr s ASP 69 CO -0.12 -1.02 1.80 0.00 0.52 0.00 0.00 175.17 176.35 2khr s ALA 70 N -3.42 2.10 -0.39 3.66 0.00 -1.26 -4.71 121.76 117.74 2khr s ALA 70 Ca 0.36 -1.08 0.18 0.00 0.00 0.00 0.00 51.96 51.42 2khr s ALA 70 Cb 0.03 -4.39 -0.24 0.00 0.00 0.00 0.00 23.12 18.51 2khr s ALA 70 CO 0.24 -4.10 0.56 0.00 0.00 0.00 0.00 175.76 172.45 2khr n MET 71 N 9.09 0.81 -3.29 0.00 0.00 -1.26 -4.86 117.12 117.61 2khr n MET 71 Ca 0.25 -0.09 -0.43 0.00 0.00 0.00 0.00 57.70 57.44 2khr n MET 71 Cb 0.50 -1.39 -0.08 0.00 0.00 0.00 0.00 33.22 32.24 2khr n MET 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2khr s VAL 72 N -3.01 5.05 0.39 3.17 0.11 -1.26 -5.05 120.40 119.79 2khr s VAL 72 Ca -0.01 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2khr s VAL 72 Cb 0.13 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 2khr s VAL 72 CO 0.75 -0.39 0.05 -1.83 -3.33 0.00 0.00 175.10 170.35 2khr s GLU 73 N 2.26 2.06 0.00 1.54 1.03 -1.26 -5.26 118.70 119.07 2khr s GLU 73 Ca 0.14 -1.92 0.28 0.00 0.03 0.00 0.00 54.97 53.50 2khr s GLU 73 Cb -0.16 -1.82 1.06 0.00 -0.80 0.00 0.00 34.13 32.41 2khr s GLU 73 CO 0.14 -0.01 1.75 -0.25 -1.33 0.00 0.00 175.26 175.57