#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 4.90 0.38 1.61 1.04 -1.26 -4.64 113.70 115.72 2khr s SER 2 Ca 0.00 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2khr s SER 2 Cb 0.00 -1.20 -0.00 0.00 0.10 0.00 0.00 66.02 64.91 2khr s SER 2 CO 0.00 -1.55 0.02 1.41 0.98 0.00 0.00 173.24 174.10 2khr n HIS 3 N -2.91 0.74 -2.16 5.02 -0.00 -1.26 -4.69 115.22 109.97 2khr n HIS 3 Ca 0.08 -1.95 -0.41 0.00 -0.00 0.00 0.00 57.72 55.43 2khr n HIS 3 Cb 0.60 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 2khr n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2khr s MET 4 N -3.37 3.13 -0.62 -0.41 0.00 -1.26 -4.94 119.30 111.83 2khr s MET 4 Ca 0.03 0.86 -0.24 0.00 0.00 0.00 0.00 55.69 56.34 2khr s MET 4 Cb 0.00 -4.22 0.05 0.00 0.00 0.00 0.00 34.83 30.66 2khr s MET 4 CO 0.02 -2.12 0.99 0.45 0.00 0.00 0.00 175.02 174.36 2khr s SER 5 N 6.04 6.25 -0.12 1.11 0.15 -1.26 -4.86 113.70 121.01 2khr s SER 5 Ca 0.66 -0.61 -0.23 0.00 0.70 0.00 0.00 55.95 56.47 2khr s SER 5 Cb -0.15 -2.44 -0.27 0.00 -1.71 0.00 0.00 66.02 61.45 2khr s SER 5 CO 0.27 -1.38 0.69 0.00 1.20 0.00 0.00 173.24 174.01 2khr h THR 6 N 6.00 1.45 -3.58 6.45 1.03 -2.04 -3.43 112.91 118.80 2khr h THR 6 Ca -0.27 -2.39 -0.70 0.00 -0.01 0.00 0.00 66.41 63.04 2khr h THR 6 Cb 1.07 3.05 -0.31 0.00 -1.07 0.00 0.00 68.15 70.89 2khr h THR 6 CO 1.15 0.62 -0.57 0.21 -0.01 0.00 0.00 175.52 176.91 2khr s ASN 7 N -6.68 5.29 -0.19 0.00 2.47 -1.26 -4.97 114.94 109.59 2khr s ASN 7 Ca -0.19 -1.53 0.06 0.00 0.42 0.00 0.00 52.86 51.62 2khr s ASN 7 Cb 0.01 -1.85 0.45 0.00 -1.45 0.00 0.00 41.25 38.40 2khr s ASN 7 CO 0.73 -0.43 1.37 -0.81 -3.72 0.00 0.00 177.10 174.24 2khr n PRO 8 N 4.73 2.67 -4.37 0.43 -0.04 -1.26 -4.89 135.00 132.27 2khr n PRO 8 Ca -0.09 -1.83 -0.27 0.00 -0.04 0.00 0.00 63.50 61.27 2khr n PRO 8 Cb 0.43 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 2khr n PRO 8 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2khr s PHE 9 N -2.01 2.16 -0.88 0.54 0.08 -1.26 -5.07 117.98 111.53 2khr s PHE 9 Ca 0.33 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.77 2khr s PHE 9 Cb 0.26 -1.14 0.07 0.00 -0.57 0.00 0.00 43.02 41.65 2khr s PHE 9 CO 0.08 0.35 1.24 -0.51 -0.10 0.00 0.00 175.22 176.28 2khr s ASP 10 N -2.23 6.42 0.46 1.36 1.01 -1.26 -5.00 116.67 117.42 2khr s ASP 10 Ca 0.14 -1.38 -0.10 0.00 0.71 0.00 0.00 52.55 51.93 2khr s ASP 10 Cb -0.09 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 2khr s ASP 10 CO 0.07 -1.42 0.82 -0.62 0.21 0.00 0.00 175.17 174.23 2khr s ASP 11 N 4.15 6.43 -0.19 0.27 2.15 -1.26 -5.03 116.67 123.19 2khr s ASP 11 Ca 0.36 1.15 -0.20 0.00 0.43 0.00 0.00 52.55 54.29 2khr s ASP 11 Cb -0.06 -2.34 -0.20 0.00 -0.30 0.00 0.00 42.92 40.02 2khr s ASP 11 CO -0.02 -0.51 0.25 0.44 -0.17 0.00 0.00 175.17 175.16 2khr h ASP 12 N 0.79 0.05 -4.15 -0.34 3.32 -2.07 -3.48 116.42 110.54 2khr h ASP 12 Ca -0.47 -0.58 -0.46 0.00 0.02 0.00 0.00 57.03 55.54 2khr h ASP 12 Cb 1.19 -0.02 0.09 0.00 0.22 0.00 0.00 39.33 40.81 2khr h ASP 12 CO 0.63 1.52 0.31 0.54 -1.72 0.00 0.00 179.24 180.52 2khr s ASN 13 N -6.86 4.75 0.13 6.45 4.22 -1.26 -5.03 114.94 117.33 2khr s ASN 13 Ca -0.28 0.63 -0.28 0.00 -2.14 0.00 0.00 52.86 50.80 2khr s ASN 13 Cb 0.06 -1.24 -0.07 0.00 1.28 0.00 0.00 41.25 41.28 2khr s ASN 13 CO 0.62 -1.69 0.87 -0.83 -2.04 0.00 0.00 177.10 174.02 2khr s GLY 14 N -4.53 2.96 0.78 0.45 0.00 -1.26 -5.06 107.32 100.65 2khr s GLY 14 Ca 0.61 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.72 2khr s GLY 14 CO 0.47 1.19 1.08 0.00 0.00 0.00 0.00 173.10 175.84 2khr s ALA 15 N -0.51 3.11 0.02 3.20 0.00 -1.26 -4.88 121.76 121.44 2khr s ALA 15 Ca 0.41 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2khr s ALA 15 Cb -0.23 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2khr s ALA 15 CO 0.28 -1.65 -0.06 -0.59 0.00 0.00 0.00 175.76 173.74 2khr s PHE 16 N -3.37 0.56 0.39 0.00 -0.12 -1.26 0.60 117.98 114.78 2khr s PHE 16 Ca 0.66 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.31 2khr s PHE 16 Cb -0.07 -0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 41.91 2khr s PHE 16 CO 0.47 -0.05 0.02 -0.06 -0.05 0.00 0.00 175.22 175.54 2khr s PHE 17 N -0.81 2.52 -0.63 3.49 0.40 0.11 -3.96 117.98 119.09 2khr s PHE 17 Ca -0.05 -0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 55.53 2khr s PHE 17 Cb -0.06 -1.69 0.14 0.00 0.51 0.00 0.00 43.02 41.92 2khr s PHE 17 CO 0.00 0.43 0.64 0.08 0.70 0.00 0.00 175.22 177.08 2khr s VAL 18 N -2.64 5.16 -0.19 -0.44 1.01 -0.35 -1.42 120.40 121.54 2khr s VAL 18 Ca 0.36 -1.56 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 2khr s VAL 18 Cb 0.06 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2khr s VAL 18 CO 0.19 -1.01 0.05 -0.22 0.00 0.00 0.00 175.10 174.11 2khr s LEU 19 N 1.66 3.69 -0.07 3.92 2.96 0.23 -0.69 118.68 130.38 2khr s LEU 19 Ca 0.10 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2khr s LEU 19 Cb -0.23 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2khr s LEU 19 CO 0.01 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 2khr s VAL 20 N 0.55 1.43 0.06 1.68 1.01 -0.33 0.19 120.40 124.99 2khr s VAL 20 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2khr s VAL 20 Cb -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2khr s VAL 20 CO 0.01 0.42 0.03 0.21 0.00 0.00 0.00 175.10 175.77 2khr s ASN 21 N 0.50 5.26 0.35 3.32 3.84 -1.26 -1.47 114.94 125.49 2khr s ASN 21 Ca -0.15 -0.06 0.06 0.00 0.21 0.00 0.00 52.86 52.93 2khr s ASN 21 Cb -0.16 -1.36 0.73 0.00 -0.55 0.00 0.00 41.25 39.91 2khr s ASN 21 CO 0.05 0.21 1.94 -0.78 -2.79 0.00 0.00 177.10 175.73 2khr h ASP 22 N 3.67 0.69 -0.62 -4.21 3.58 -1.84 0.04 116.42 117.72 2khr h ASP 22 Ca -0.48 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2khr h ASP 22 Cb 1.17 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2khr h ASP 22 CO 0.61 0.43 0.00 -0.62 -2.88 0.00 0.00 179.24 176.78 2khr n GLU 23 N -4.49 4.19 -4.55 0.28 1.02 -1.26 -4.92 120.64 110.91 2khr n GLU 23 Ca 0.12 -3.01 -0.26 0.00 -0.02 0.00 0.00 57.16 54.00 2khr n GLU 23 Cb 0.26 -2.04 -0.11 0.00 -0.02 0.00 0.00 31.44 29.53 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 -0.88 3.50 -0.20 1.62 2.15 -0.00 -5.09 116.67 117.76 2khr s ASP 24 Ca 0.53 -1.29 -0.16 0.00 0.43 0.00 0.00 52.55 52.06 2khr s ASP 24 Cb 0.36 -0.31 -0.10 0.00 -0.30 0.00 0.00 42.92 42.57 2khr s ASP 24 CO 0.21 -0.37 -0.15 0.00 -0.17 0.00 0.00 175.17 174.69 2khr n GLN 25 N -0.82 0.53 -3.61 4.34 1.13 -1.26 -4.55 117.38 113.14 2khr n GLN 25 Ca -0.05 0.41 -0.02 0.00 -1.94 0.00 0.00 57.00 55.40 2khr n GLN 25 Cb 0.65 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 29.34 2khr n GLN 25 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2khr s HIS 26 N -2.48 -0.68 -0.27 1.08 -3.43 -1.25 -4.03 115.29 104.23 2khr s HIS 26 Ca -0.28 1.31 0.02 0.00 -0.80 0.00 0.00 55.06 55.32 2khr s HIS 26 Cb 0.07 0.40 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 2khr s HIS 26 CO 0.43 -0.34 -0.09 -1.12 -2.00 0.00 0.00 174.74 171.63 2khr s SER 27 N 1.61 4.53 -0.87 7.38 0.01 0.13 -5.02 113.70 121.45 2khr s SER 27 Ca -0.08 -1.40 -0.25 0.00 1.31 0.00 0.00 55.95 55.53 2khr s SER 27 Cb -0.04 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.63 2khr s SER 27 CO -0.16 -0.21 1.53 -0.22 0.41 0.00 0.00 173.24 174.59 2khr s LEU 28 N 1.12 3.32 -0.25 2.44 1.98 -1.26 -0.60 118.68 125.44 2khr s LEU 28 Ca -0.08 -0.83 -0.06 0.00 -2.89 0.00 0.00 54.13 50.26 2khr s LEU 28 Cb -0.20 -2.56 -0.02 0.00 0.66 0.00 0.00 46.19 44.07 2khr s LEU 28 CO -0.04 -1.91 0.04 0.86 -1.89 0.00 0.00 176.35 173.41 2khr s TRP 29 N 6.50 3.06 0.52 5.38 -0.11 -0.51 -4.87 118.94 128.91 2khr s TRP 29 Ca 0.49 -0.60 -0.21 0.00 1.22 0.00 0.00 56.10 57.00 2khr s TRP 29 Cb -0.05 -2.21 -0.06 0.00 -1.50 0.00 0.00 33.47 29.66 2khr s TRP 29 CO 0.02 -0.43 1.18 -2.14 -4.62 0.00 0.00 176.95 170.97 2khr s PRO 30 N 1.57 3.43 0.00 5.86 0.02 -1.26 0.04 135.00 144.66 2khr s PRO 30 Ca 0.06 1.78 0.26 0.00 0.02 0.00 0.00 61.00 63.12 2khr s PRO 30 Cb -0.15 -2.18 1.40 0.00 0.02 0.00 0.00 34.50 33.59 2khr s PRO 30 CO 0.02 -0.83 1.89 1.33 -0.33 0.00 0.00 177.00 179.08 2khr n VAL 31 N -1.00 0.12 0.80 3.83 0.24 0.20 -1.45 118.33 121.06 2khr n VAL 31 Ca 0.10 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 2khr n VAL 31 Cb 0.49 -0.61 0.34 0.00 -1.47 0.00 0.00 33.84 32.59 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2khr n PHE 32 N -1.18 0.35 -3.36 6.34 7.35 -1.26 -4.89 117.46 120.80 2khr n PHE 32 Ca 0.15 0.10 -0.21 0.00 -0.76 0.00 0.00 57.45 56.73 2khr n PHE 32 Cb 0.16 -0.56 -0.00 0.00 0.35 0.00 0.00 39.48 39.43 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 -3.07 4.00 0.05 3.13 0.00 -0.53 -5.05 121.76 120.29 2khr s ALA 33 Ca 0.10 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 2khr s ALA 33 Cb 0.16 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.34 2khr s ALA 33 CO 0.65 -0.11 1.49 -0.51 0.00 0.00 0.00 175.76 177.27 2khr s ASP 34 N -4.15 6.76 -0.36 0.00 1.11 -1.26 -4.95 116.67 113.81 2khr s ASP 34 Ca 0.44 2.29 -0.17 0.00 0.18 0.00 0.00 52.55 55.29 2khr s ASP 34 Cb -0.10 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.33 2khr s ASP 34 CO 0.33 -0.77 0.46 -0.63 1.18 0.00 0.00 175.17 175.75 2khr s ILE 35 N 2.21 5.07 0.00 0.77 -1.09 -1.26 -5.07 121.20 121.83 2khr s ILE 35 Ca 0.67 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 2khr s ILE 35 Cb -0.35 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 2khr s ILE 35 CO 0.29 -0.22 0.00 -0.81 -1.23 0.00 0.00 174.94 172.97 2khr n PRO 36 N 5.63 2.64 -4.35 2.79 -0.04 -1.26 -5.11 135.00 135.30 2khr n PRO 36 Ca -0.06 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2khr n PRO 36 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 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 -3.70 2.74 0.00 0.55 0.00 -1.26 -4.78 121.76 115.30 2khr s ALA 37 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2khr s ALA 37 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2khr s ALA 37 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2khr n GLY 38 N 0.25 1.78 3.60 0.00 0.00 -1.26 -5.07 105.19 104.49 2khr n GLY 38 Ca -0.12 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 2.49 -0.17 1.61 1.48 -1.26 -4.39 118.94 116.70 2khr s TRP 39 Ca 0.00 -0.50 -0.04 0.00 -1.06 0.00 0.00 56.10 54.50 2khr s TRP 39 Cb 0.00 -1.51 0.08 0.00 -1.16 0.00 0.00 33.47 30.89 2khr s TRP 39 CO 0.00 0.50 0.24 0.50 -4.06 0.00 0.00 176.95 174.13 2khr s ARG 40 N -3.68 0.17 -0.69 3.25 6.06 -0.54 -4.94 118.95 118.59 2khr s ARG 40 Ca 0.34 0.42 -0.27 0.00 -2.50 0.00 0.00 55.73 53.73 2khr s ARG 40 Cb 0.02 -0.72 0.01 0.00 0.06 0.00 0.00 34.95 34.33 2khr s ARG 40 CO 0.18 -0.51 1.45 0.08 -2.50 0.00 0.00 175.30 174.00 2khr s VAL 41 N 2.37 3.63 0.14 7.11 1.01 -1.26 -1.18 120.40 132.22 2khr s VAL 41 Ca 0.05 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2khr s VAL 41 Cb -0.14 -4.61 -0.18 0.00 0.00 0.00 0.00 36.38 31.45 2khr s VAL 41 CO -0.11 -1.53 1.33 0.58 0.00 0.00 0.00 175.10 175.37 2khr h VAL 42 N 6.30 1.56 -3.53 2.92 2.07 -1.29 -3.45 116.25 120.83 2khr h VAL 42 Ca -0.27 -2.90 -0.19 0.00 0.82 0.00 0.00 66.70 64.16 2khr h VAL 42 Cb 1.08 2.64 -0.26 0.00 -1.52 0.00 0.00 31.29 33.23 2khr h VAL 42 CO 1.25 0.84 -0.59 -2.28 0.02 0.00 0.00 177.57 176.81 2khr s HIS 43 N -3.00 -0.06 0.00 1.57 2.46 -1.23 -5.03 115.29 109.99 2khr s HIS 43 Ca -0.02 0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.67 2khr s HIS 43 Cb 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 2khr s HIS 43 CO 0.83 -0.09 0.00 0.41 -2.47 0.00 0.00 174.74 173.42 2khr n GLY 44 N 2.72 -0.11 3.48 1.59 0.00 -1.26 -1.21 105.19 110.39 2khr n GLY 44 Ca -0.15 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 3.23 0.35 1.61 4.04 -1.25 -4.30 118.70 122.37 2khr s GLU 45 Ca 0.00 -0.88 0.08 0.00 0.04 0.00 0.00 54.97 54.21 2khr s GLU 45 Cb 0.00 -4.40 -0.07 0.00 0.02 0.00 0.00 34.13 29.68 2khr s GLU 45 CO 0.00 -1.90 -0.05 0.00 -1.84 0.00 0.00 175.26 171.47 2khr s ALA 46 N 4.23 2.87 -0.07 -0.84 0.00 -1.26 -5.03 121.76 121.65 2khr s ALA 46 Ca 0.28 -2.11 -0.40 0.00 0.00 0.00 0.00 51.96 49.72 2khr s ALA 46 Cb -0.12 0.10 -0.19 0.00 0.00 0.00 0.00 23.12 22.90 2khr s ALA 46 CO 0.07 -0.02 1.12 0.43 0.00 0.00 0.00 175.76 177.35 2khr n SER 47 N -0.79 0.17 -0.22 0.00 7.64 -1.26 -4.59 113.62 114.56 2khr n SER 47 Ca -0.05 1.13 0.01 0.00 1.01 0.00 0.00 58.87 60.98 2khr n SER 47 Cb 0.65 -0.89 0.09 0.00 -1.01 0.00 0.00 64.21 63.05 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 3.21 0.04 -0.91 1.43 9.65 -1.97 0.57 114.38 126.41 2khr h ARG 48 Ca -0.49 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.41 2khr h ARG 48 Cb 1.38 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.91 2khr h ARG 48 CO 0.68 0.03 0.60 0.00 2.80 0.00 0.00 179.97 184.08 2khr h ALA 49 N 1.64 1.39 -0.31 2.80 0.00 -1.99 -0.24 119.26 122.54 2khr h ALA 49 Ca 0.33 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2khr h ALA 49 Cb 0.53 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2khr h ALA 49 CO -0.63 0.54 -0.53 0.00 0.00 0.00 0.00 179.25 178.63 2khr h ALA 50 N 1.45 0.48 -0.61 0.00 0.00 -1.28 -1.18 119.26 118.12 2khr h ALA 50 Ca 0.35 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2khr h ALA 50 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2khr h ALA 50 CO -0.09 0.68 0.03 0.00 0.00 0.00 0.00 179.25 179.87 2khr h LEU 52 N 0.96 0.00 -0.58 0.00 4.07 -0.94 -0.71 115.31 118.12 2khr h LEU 52 Ca 0.18 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.15 2khr h LEU 52 Cb 0.53 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 2khr h LEU 52 CO 0.03 0.04 0.30 -0.78 -1.08 0.00 0.00 178.44 176.95 2khr h ASP 53 N -0.04 0.44 -0.45 -0.43 3.58 -1.10 -0.64 116.42 117.77 2khr h ASP 53 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2khr h ASP 53 Cb 0.04 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2khr h ASP 53 CO -0.00 0.29 0.29 0.22 -2.88 0.00 0.00 179.24 177.16 2khr h TYR 54 N 0.57 0.58 -0.08 0.28 3.20 -0.84 -0.82 116.97 119.86 2khr h TYR 54 Ca 0.26 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 2khr h TYR 54 Cb 0.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2khr h TYR 54 CO -0.09 0.38 -0.70 -0.39 -1.64 0.00 0.00 178.16 175.71 2khr h VAL 55 N 0.61 1.38 -0.18 1.81 -1.51 -0.78 -2.82 116.25 114.76 2khr h VAL 55 Ca 0.17 -2.10 -0.16 0.00 -1.23 0.00 0.00 66.70 63.37 2khr h VAL 55 Cb -0.05 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2khr h VAL 55 CO -0.03 0.63 -0.54 -0.33 -1.23 0.00 0.00 177.57 176.07 2khr h GLU 56 N 0.28 0.54 -0.04 5.19 4.39 -0.91 -1.06 114.58 122.97 2khr h GLU 56 Ca -0.03 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.20 2khr h GLU 56 Cb 1.27 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2khr h GLU 56 CO 0.12 0.94 -0.59 0.87 -1.16 0.00 0.00 179.01 179.19 2khr h LYS 57 N 0.42 0.12 0.03 2.33 1.57 -1.14 -3.13 116.57 116.78 2khr h LYS 57 Ca 0.01 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.46 2khr h LYS 57 Cb 1.08 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2khr h LYS 57 CO 0.10 0.68 -1.21 -0.91 -0.57 0.00 0.00 179.45 177.54 2khr h ASN 58 N 0.09 0.11 0.00 0.86 2.35 -1.42 -3.47 115.58 114.09 2khr h ASN 58 Ca -0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2khr h ASN 58 Cb 1.07 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2khr h ASN 58 CO 0.08 1.10 0.00 1.87 -1.65 0.00 0.00 177.43 178.84 2khr n TRP 59 N -3.34 0.00 0.05 1.19 -0.00 -0.41 -3.65 117.44 111.28 2khr n TRP 59 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 2khr n TRP 59 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.29 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 0.00 0.14 -4.12 5.87 5.66 -1.26 -3.95 114.28 116.62 2khr n THR 60 Ca 0.00 0.05 -0.15 0.00 -3.05 0.00 0.00 64.05 60.90 2khr n THR 60 Cb 0.00 -0.78 -0.13 0.00 -1.55 0.00 0.00 70.33 67.87 2khr n THR 60 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2khr s ASP 61 N -5.11 0.87 0.00 1.09 2.15 -1.24 -4.81 116.67 109.61 2khr s ASP 61 Ca 0.00 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.59 2khr s ASP 61 Cb 0.00 -0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 2khr s ASP 61 CO 0.00 -0.09 0.01 0.00 -0.17 0.00 0.00 175.17 174.92 2khr n LEU 62 N 1.99 0.00 -3.65 -1.34 -0.00 -1.26 -4.99 117.00 107.75 2khr n LEU 62 Ca -0.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.01 55.74 2khr n LEU 62 Cb 0.56 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.91 2khr n LEU 62 CO 0.22 0.25 1.07 -0.60 -0.00 0.00 0.00 177.39 178.33 2khr s ARG 63 N 0.00 0.10 0.29 1.47 6.06 -1.26 -5.15 118.95 120.46 2khr s ARG 63 Ca 0.00 0.13 -0.28 0.00 -2.50 0.00 0.00 55.73 53.08 2khr s ARG 63 Cb 0.00 0.04 -0.14 0.00 0.06 0.00 0.00 34.95 34.91 2khr s ARG 63 CO 0.00 -0.01 1.03 -2.30 -2.50 0.00 0.00 175.30 171.52 2khr n PRO 64 N 2.17 1.42 -3.71 5.12 -0.02 -1.26 -5.01 135.00 133.71 2khr n PRO 64 Ca -0.13 0.50 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 2khr n PRO 64 Cb 0.57 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 2khr n PRO 64 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2khr s LYS 65 N -1.59 0.71 0.04 -0.52 -2.85 -1.26 -5.13 119.74 109.15 2khr s LYS 65 Ca 0.58 0.04 -0.14 0.00 -1.00 0.00 0.00 55.97 55.45 2khr s LYS 65 Cb -0.69 0.33 0.05 0.00 -2.06 0.00 0.00 37.83 35.46 2khr s LYS 65 CO 0.60 -0.19 0.66 0.45 0.10 0.00 0.00 175.35 176.98 2khr n SER 66 N 1.49 -0.83 -4.26 0.03 2.88 -1.26 -4.70 113.62 106.97 2khr n SER 66 Ca -0.20 -1.32 -0.37 0.00 -1.33 0.00 0.00 58.87 55.66 2khr n SER 66 Cb 0.56 1.32 -0.13 0.00 -0.75 0.00 0.00 64.21 65.21 2khr n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2khr s LEU 67 N 0.00 3.94 -0.15 2.46 1.98 -1.26 -4.60 118.68 121.05 2khr s LEU 67 Ca 0.15 -1.03 0.15 0.00 -2.89 0.00 0.00 54.13 50.52 2khr s LEU 67 Cb -0.01 -1.81 -0.21 0.00 0.66 0.00 0.00 46.19 44.82 2khr s LEU 67 CO 0.01 -0.25 0.09 -1.14 -1.89 0.00 0.00 176.35 173.18 2khr n ARG 68 N 4.76 1.19 -2.31 1.98 0.63 -1.26 -5.05 116.66 116.60 2khr n ARG 68 Ca -0.14 -0.02 -0.04 0.00 -0.92 0.00 0.00 57.85 56.73 2khr n ARG 68 Cb 0.45 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.90 2khr n ARG 68 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2khr n ASP 69 N -2.57 -1.06 -3.54 6.15 -0.08 -1.26 -5.10 116.55 109.09 2khr n ASP 69 Ca -0.25 0.99 -0.17 0.00 -1.51 0.00 0.00 54.79 53.85 2khr n ASP 69 Cb 0.99 -4.15 -0.06 0.00 2.34 0.00 0.00 41.12 40.24 2khr n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2khr s ALA 70 N -0.54 -1.77 -0.09 -1.67 0.00 -1.26 -5.14 121.76 111.29 2khr s ALA 70 Ca -0.20 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2khr s ALA 70 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2khr s ALA 70 CO 0.59 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 176.25 2khr s MET 71 N -0.96 3.81 -0.68 0.00 0.23 -1.26 -5.05 119.30 115.39 2khr s MET 71 Ca -0.09 0.10 -0.06 0.00 -1.03 0.00 0.00 55.69 54.61 2khr s MET 71 Cb -0.01 -3.26 0.18 0.00 -1.53 0.00 0.00 34.83 30.21 2khr s MET 71 CO 0.09 0.61 0.53 0.08 -2.03 0.00 0.00 175.02 174.30 2khr s VAL 72 N -0.66 4.27 -0.30 5.16 1.01 -1.26 -4.98 120.40 123.64 2khr s VAL 72 Ca 0.18 -2.80 -0.04 0.00 0.00 0.00 0.00 61.98 59.32 2khr s VAL 72 Cb -0.14 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.68 2khr s VAL 72 CO 0.07 -0.92 0.62 -0.70 0.00 0.00 0.00 175.10 174.17 2khr s GLU 73 N 0.02 0.57 0.00 2.72 2.12 -1.26 -4.93 118.70 117.94 2khr s GLU 73 Ca 0.17 1.16 0.32 0.00 0.36 0.00 0.00 54.97 56.97 2khr s GLU 73 Cb -0.17 0.66 1.84 0.00 0.26 0.00 0.00 34.13 36.72 2khr s GLU 73 CO -0.05 -0.48 2.19 -0.25 -0.54 0.00 0.00 175.26 176.13