#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky n LYS 1 N 0.00 0.56 -0.47 3.17 5.02 -1.26 -4.91 118.16 120.26 2hky n LYS 1 Ca 0.00 0.22 -0.05 0.00 -2.02 0.00 0.00 58.31 56.46 2hky n LYS 1 Cb 0.00 -1.81 0.05 0.00 -0.02 0.00 0.00 35.03 33.25 2hky n LYS 1 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2hky n PRO 2 N -0.33 0.60 -3.60 1.97 -0.02 -1.26 -5.04 135.00 127.33 2hky n PRO 2 Ca 0.12 -0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.33 2hky n PRO 2 Cb 0.48 -0.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.99 2hky n PRO 2 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2hky s LYS 3 N -2.19 0.46 -0.09 -0.52 -2.85 -1.26 -4.88 119.74 108.41 2hky s LYS 3 Ca 0.11 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2hky s LYS 3 Cb -0.02 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 2hky s LYS 3 CO 0.10 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.84 2hky n GLY 4 N 4.29 0.41 2.37 0.59 0.00 -1.26 -4.88 105.19 106.72 2hky n GLY 4 Ca -0.16 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 2hky n GLY 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hky n MET 5 N -1.89 0.87 -0.93 1.61 2.81 -1.26 -4.93 117.12 113.40 2hky n MET 5 Ca -0.01 -2.82 -0.35 0.00 -1.81 0.00 0.00 57.70 52.71 2hky n MET 5 Cb 0.16 -1.40 0.07 0.00 -0.71 0.00 0.00 33.22 31.34 2hky n MET 5 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2hky n THR 6 N 0.85 0.00 -0.10 2.03 -1.04 -1.26 -3.84 114.28 110.91 2hky n THR 6 Ca 0.18 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 2hky n THR 6 Cb 0.62 -0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 68.86 2hky n THR 6 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hky h SER 7 N -1.20 -1.59 0.15 8.00 0.02 -1.96 0.35 113.55 117.32 2hky h SER 7 Ca -0.44 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2hky h SER 7 Cb 1.31 0.66 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 2hky h SER 7 CO 0.27 -0.41 -0.15 0.28 -1.14 0.00 0.00 176.83 175.68 2hky h SER 8 N -0.41 0.00 0.09 3.07 0.02 -1.84 -1.92 113.55 112.55 2hky h SER 8 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2hky h SER 8 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2hky h SER 8 CO -0.54 0.15 -0.04 1.56 -1.14 0.00 0.00 176.83 176.82 2hky h GLN 9 N 0.00 -0.11 -0.51 3.45 1.08 -0.73 0.26 115.11 118.56 2hky h GLN 9 Ca -0.00 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2hky h GLN 9 Cb 0.27 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2hky h GLN 9 CO 0.02 0.18 0.34 2.35 -0.95 0.00 0.00 178.83 180.77 2hky h TRP 10 N -0.41 0.62 0.00 2.96 -0.00 -0.41 0.37 115.95 119.09 2hky h TRP 10 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2hky h TRP 10 Cb 0.34 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 2hky h TRP 10 CO 0.02 0.38 -0.01 1.19 -0.00 0.00 0.00 178.44 180.03 2hky n PHE 11 N -4.46 0.17 0.03 2.65 3.01 -0.75 -2.05 117.46 116.06 2hky n PHE 11 Ca 0.05 0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.53 2hky n PHE 11 Cb 0.07 -0.58 -0.09 0.00 -0.01 0.00 0.00 39.48 38.88 2hky n PHE 11 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2hky h LYS 12 N 0.00 0.00 0.00 -1.08 5.09 0.17 0.45 116.57 121.21 2hky h LYS 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2hky h LYS 12 Cb 0.54 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.87 2hky h LYS 12 CO 0.00 0.47 -0.27 -0.84 -2.09 0.00 0.00 179.45 176.73 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.32 0.24 117.51 119.57 2hky h ILE 13 Ca -0.16 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2hky h ILE 13 Cb 1.71 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 2hky h ILE 13 CO 0.07 0.00 -1.19 0.00 -1.05 0.00 0.00 178.15 175.98 2hky n GLN 14 N -2.85 0.66 -0.55 0.16 10.64 -0.87 -4.65 117.38 119.93 2hky n GLN 14 Ca 0.03 -0.05 -0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2hky n GLN 14 Cb 0.52 -1.42 -0.00 0.00 -0.86 0.00 0.00 30.24 28.48 2hky n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2hky n HIS 15 N -1.66 0.00 -3.58 2.61 8.25 0.16 -4.67 115.22 116.33 2hky n HIS 15 Ca 0.02 -0.03 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 2hky n HIS 15 Cb 0.36 0.08 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 2hky n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hky s MET 16 N 0.00 4.17 -0.01 -0.41 0.23 0.85 -1.51 119.30 122.62 2hky s MET 16 Ca 0.01 -0.06 0.15 0.00 -1.03 0.00 0.00 55.69 54.76 2hky s MET 16 Cb 0.01 -3.49 -0.19 0.00 -1.53 0.00 0.00 34.83 29.64 2hky s MET 16 CO -0.01 0.13 0.53 0.94 -2.03 0.00 0.00 175.02 174.59 2hky n GLN 17 N 3.99 1.58 -0.09 3.16 7.27 0.11 -4.12 117.38 129.28 2hky n GLN 17 Ca -0.13 -0.04 0.25 0.00 0.07 0.00 0.00 57.00 57.14 2hky n GLN 17 Cb 0.52 -1.25 0.54 0.00 2.41 0.00 0.00 30.24 32.45 2hky n GLN 17 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 2hky h PRO 18 N 0.00 0.00 0.00 3.69 0.11 -1.90 -3.37 132.00 130.53 2hky h PRO 18 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hky h PRO 18 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2hky h PRO 18 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2hky n SER 19 N -3.36 0.00 0.18 -2.05 3.41 -1.26 -5.04 113.62 105.50 2hky n SER 19 Ca 0.17 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 2hky n SER 19 Cb 1.20 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.26 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2hky h PRO 20 N 0.00 0.00 -0.24 4.33 0.13 -1.74 -3.48 132.00 131.01 2hky h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hky h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hky h PRO 20 CO 0.00 0.03 0.00 1.04 -0.23 0.00 0.00 178.00 178.84 2hky n GLN 21 N -3.00 0.00 -0.40 0.86 1.13 -1.26 -4.33 117.38 110.38 2hky n GLN 21 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2hky n GLN 21 Cb 0.55 -0.25 0.00 0.00 0.11 0.00 0.00 30.24 30.66 2hky n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hky n ALA 22 N -0.12 -2.67 -0.02 -1.58 0.00 -1.26 -3.66 120.51 111.20 2hky n ALA 22 Ca 0.00 0.10 0.21 0.00 0.00 0.00 0.00 53.44 53.76 2hky n ALA 22 Cb 0.05 -0.71 0.70 0.00 0.00 0.00 0.00 19.45 19.49 2hky n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky h ASN 24 N 0.00 -0.53 0.38 0.00 2.35 -1.82 0.45 115.58 116.41 2hky h ASN 24 Ca 0.27 0.13 -0.32 0.00 -0.55 0.00 0.00 56.30 55.83 2hky h ASN 24 Cb 1.11 0.30 0.02 0.00 0.05 0.00 0.00 38.32 39.80 2hky h ASN 24 CO -0.00 -0.19 -1.45 -1.28 -1.65 0.00 0.00 177.43 172.86 2hky h SER 25 N -0.10 0.66 -0.87 5.81 0.87 -0.78 -2.36 113.55 116.79 2hky h SER 25 Ca 0.17 -0.75 0.13 0.00 -1.23 0.00 0.00 61.79 60.11 2hky h SER 25 Cb 0.36 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.02 2hky h SER 25 CO -0.41 1.60 0.48 0.00 -0.53 0.00 0.00 176.83 177.97 2hky h ALA 26 N 0.30 1.29 0.00 6.23 0.00 0.15 0.43 119.26 127.66 2hky h ALA 26 Ca -0.23 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2hky h ALA 26 Cb 2.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2hky h ALA 26 CO 0.24 0.02 -0.64 1.98 0.00 0.00 0.00 179.25 180.84 2hky h MET 27 N 0.74 0.00 -0.28 0.00 -1.53 -0.16 -2.96 114.93 110.74 2hky h MET 27 Ca 0.45 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.79 2hky h MET 27 Cb 0.54 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 2hky h MET 27 CO -0.31 0.64 0.22 0.87 0.14 0.00 0.00 176.91 178.47 2hky h LYS 28 N 0.00 0.00 0.00 0.39 1.79 0.42 0.62 116.57 119.79 2hky h LYS 28 Ca -0.01 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2hky h LYS 28 Cb 1.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2hky h LYS 28 CO 0.08 0.00 -0.58 -0.97 -1.08 0.00 0.00 179.45 176.90 2hky h ASN 29 N 0.00 0.00 0.55 0.86 -0.00 -1.27 -2.32 115.58 113.40 2hky h ASN 29 Ca 0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 56.30 56.15 2hky h ASN 29 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.90 2hky h ASN 29 CO -0.00 0.58 -1.25 0.40 -0.00 0.00 0.00 177.43 177.15 2hky h ILE 30 N 0.00 1.46 0.00 2.57 2.04 0.01 -2.88 117.51 120.71 2hky h ILE 30 Ca -0.01 -2.96 0.00 0.00 1.00 0.00 0.00 64.86 62.90 2hky h ILE 30 Cb 1.13 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2hky h ILE 30 CO 0.08 0.87 0.00 -0.55 0.00 0.00 0.00 178.15 178.54 2hky h ASN 31 N 0.10 0.00 0.43 1.72 -1.07 -0.61 -0.08 115.58 116.06 2hky h ASN 31 Ca -0.15 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 55.91 2hky h ASN 31 Cb 1.97 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 38.20 2hky h ASN 31 CO 0.21 0.00 -1.61 0.07 0.07 0.00 0.00 177.43 176.17 2hky h LYS 32 N 0.00 0.20 0.00 4.14 5.09 -1.39 -1.13 116.57 123.48 2hky h LYS 32 Ca 0.00 -0.34 -0.04 0.00 0.09 0.00 0.00 60.65 60.36 2hky h LYS 32 Cb 0.63 0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.08 2hky h LYS 32 CO 0.00 1.02 -0.94 1.12 -2.09 0.00 0.00 179.45 178.56 2hky h HIS 33 N 0.05 0.00 -0.00 0.07 2.07 -1.42 -3.32 115.15 112.61 2hky h HIS 33 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2hky h HIS 33 Cb 2.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.99 2hky h HIS 33 CO 0.05 0.15 -0.86 0.25 -3.07 0.00 0.00 177.93 174.45 2hky n THR 34 N -2.81 0.00 -1.50 6.12 -2.24 -0.05 -4.94 114.28 108.86 2hky n THR 34 Ca -0.02 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 2hky n THR 34 Cb 0.62 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.81 2hky n THR 34 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hky n LYS 35 N -1.25 -1.55 -3.51 -0.78 4.76 -0.44 -4.90 118.16 110.50 2hky n LYS 35 Ca 0.04 1.11 -0.16 0.00 -2.87 0.00 0.00 58.31 56.43 2hky n LYS 35 Cb 0.33 -5.52 -0.05 0.00 -1.84 0.00 0.00 35.03 27.95 2hky n LYS 35 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2hky s ARG 36 N -3.47 1.07 -0.68 1.97 6.06 -1.16 -4.99 118.95 117.75 2hky s ARG 36 Ca 0.00 0.11 -0.19 0.00 -2.50 0.00 0.00 55.73 53.15 2hky s ARG 36 Cb 0.00 0.50 0.12 0.00 0.06 0.00 0.00 34.95 35.63 2hky s ARG 36 CO 0.00 -0.36 0.81 0.00 -2.50 0.00 0.00 175.30 173.24 2hky n LYS 38 N 6.27 0.01 0.00 0.00 5.02 -1.26 -4.59 118.16 123.62 2hky n LYS 38 Ca -0.01 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2hky n LYS 38 Cb 0.44 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2hky n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hky n ASP 39 N -1.32 0.00 -3.77 4.39 8.00 -1.26 -4.91 116.55 117.69 2hky n ASP 39 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2hky n ASP 39 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 2hky n ASP 39 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hky s LEU 40 N 0.00 0.81 -0.21 0.64 1.98 -1.26 -0.38 118.68 120.25 2hky s LEU 40 Ca 0.00 0.62 -0.10 0.00 -2.89 0.00 0.00 54.13 51.77 2hky s LEU 40 Cb 0.00 1.06 0.08 0.00 0.66 0.00 0.00 46.19 47.99 2hky s LEU 40 CO 0.00 -0.11 0.48 0.20 -1.89 0.00 0.00 176.35 175.03 2hky s ASN 41 N 0.18 -0.57 0.13 3.68 -0.87 -0.99 -4.96 114.94 111.55 2hky s ASN 41 Ca -0.00 1.09 0.04 0.00 -1.57 0.00 0.00 52.86 52.42 2hky s ASN 41 Cb -0.02 1.18 -0.04 0.00 -0.02 0.00 0.00 41.25 42.35 2hky s ASN 41 CO 0.00 -0.21 0.14 0.42 -2.57 0.00 0.00 177.10 174.87 2hky s THR 42 N 1.92 4.61 0.09 1.60 -4.23 -1.26 -1.24 115.64 117.13 2hky s THR 42 Ca -0.07 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2hky s THR 42 Cb -0.09 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 2hky s THR 42 CO -0.15 -0.03 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.48 2hky s PHE 43 N -1.64 0.83 0.16 3.99 0.40 0.75 -4.40 117.98 118.07 2hky s PHE 43 Ca 0.31 -0.94 0.11 0.00 -0.60 0.00 0.00 56.93 55.81 2hky s PHE 43 Cb -0.11 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.88 2hky s PHE 43 CO 0.24 -0.19 -0.25 -0.51 0.70 0.00 0.00 175.22 175.20 2hky s LEU 44 N -3.02 2.38 -0.86 -0.37 1.43 -0.57 -0.06 118.68 117.61 2hky s LEU 44 Ca 0.11 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2hky s LEU 44 Cb 0.06 -1.19 0.28 0.00 0.03 0.00 0.00 46.19 45.37 2hky s LEU 44 CO -0.06 0.15 1.15 1.57 0.23 0.00 0.00 176.35 179.39 2hky n HIS 45 N 0.58 2.95 -3.71 0.29 -0.00 -0.68 0.09 115.22 114.75 2hky n HIS 45 Ca -0.15 -3.33 -0.11 0.00 0.46 0.00 0.00 57.72 54.59 2hky n HIS 45 Cb 0.55 -0.91 -0.11 0.00 -0.12 0.00 0.00 29.99 29.39 2hky n HIS 45 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2hky s GLU 46 N -2.74 0.34 0.05 1.57 2.56 -1.26 -4.63 118.70 114.59 2hky s GLU 46 Ca 0.36 0.71 -0.36 0.00 0.00 0.00 0.00 54.97 55.68 2hky s GLU 46 Cb 0.11 -0.05 -0.15 0.00 2.00 0.00 0.00 34.13 36.03 2hky s GLU 46 CO 0.04 -0.16 1.53 -2.30 -0.56 0.00 0.00 175.26 173.81 2hky n PRO 47 N 4.25 1.62 0.32 4.30 -0.02 -1.26 -4.39 135.00 139.81 2hky n PRO 47 Ca -0.24 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 2hky n PRO 47 Cb 0.55 -2.30 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 2hky n PRO 47 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2hky h PHE 48 N 5.86 0.00 0.02 6.00 0.04 -1.99 2.73 116.94 129.61 2hky h PHE 48 Ca -0.47 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.07 2hky h PHE 48 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 2hky h PHE 48 CO 0.66 0.00 -1.00 1.03 -0.60 0.00 0.00 178.31 178.40 2hky h SER 49 N 0.00 0.53 0.07 2.17 0.87 -1.97 0.40 113.55 115.61 2hky h SER 49 Ca 0.00 -0.45 -0.19 0.00 -1.23 0.00 0.00 61.79 59.93 2hky h SER 49 Cb 1.64 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2hky h SER 49 CO 0.00 1.26 -0.94 -1.28 -0.53 0.00 0.00 176.83 175.33 2hky h SER 50 N 0.21 0.23 -0.25 6.23 0.87 0.43 -2.92 113.55 118.35 2hky h SER 50 Ca -0.09 -0.84 -0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2hky h SER 50 Cb 1.65 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 2hky h SER 50 CO 0.17 1.41 0.15 0.58 -0.53 0.00 0.00 176.83 178.61 2hky h VAL 51 N -0.62 1.08 0.40 2.23 2.07 -0.78 0.41 116.25 121.05 2hky h VAL 51 Ca -0.21 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2hky h VAL 51 Cb 1.47 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2hky h VAL 51 CO 0.01 0.09 -0.37 0.00 0.02 0.00 0.00 177.57 177.32 2hky h ALA 52 N 1.80 -0.81 -0.16 1.67 0.00 -0.22 0.17 119.26 121.71 2hky h ALA 52 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2hky h ALA 52 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hky h ALA 52 CO -0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 179.25 178.07 2hky h ALA 53 N -0.36 1.43 -0.34 0.00 0.00 -1.13 -1.54 119.26 117.32 2hky h ALA 53 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hky h ALA 53 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2hky h ALA 53 CO -0.04 0.40 0.23 1.15 0.00 0.00 0.00 179.25 180.98 2hky h THR 54 N 0.24 1.06 0.00 0.00 2.02 0.99 0.13 112.91 117.36 2hky h THR 54 Ca 0.05 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2hky h THR 54 Cb 0.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2hky h THR 54 CO 0.03 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2hky n GLN 56 N 0.11 4.36 -1.06 0.00 7.27 0.46 -4.74 117.38 123.77 2hky n GLN 56 Ca 0.00 -0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 2hky n GLN 56 Cb 0.20 -0.87 0.14 0.00 2.41 0.00 0.00 30.24 32.12 2hky n GLN 56 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2hky s THR 57 N -1.75 2.66 -0.41 1.69 -1.32 -1.10 -4.80 115.64 110.61 2hky s THR 57 Ca 0.03 0.21 -0.38 0.00 -1.21 0.00 0.00 61.69 60.34 2hky s THR 57 Cb 0.06 -2.58 -0.16 0.00 -1.51 0.00 0.00 72.50 68.31 2hky s THR 57 CO 0.32 -0.28 1.35 -2.65 -2.21 0.00 0.00 174.62 171.15 2hky n PRO 58 N -3.96 0.00 -0.02 7.08 -0.02 -1.26 -4.62 135.00 132.20 2hky n PRO 58 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2hky n PRO 58 Cb 0.54 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2hky n PRO 58 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2hky n LYS 59 N 3.53 1.27 -3.53 -0.52 2.85 -1.25 -4.15 118.16 116.36 2hky n LYS 59 Ca 0.27 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.40 2hky n LYS 59 Cb -0.05 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.29 2hky n LYS 59 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2hky s ILE 60 N 0.29 0.02 -1.02 0.58 -4.36 -1.23 -4.95 121.20 110.54 2hky s ILE 60 Ca 0.00 -0.17 -0.26 0.00 -0.26 0.00 0.00 60.65 59.96 2hky s ILE 60 Cb 0.00 -1.01 -0.22 0.00 1.25 0.00 0.00 42.46 42.48 2hky s ILE 60 CO 0.00 -0.10 2.11 0.00 0.24 0.00 0.00 174.94 177.19 2hky n ALA 61 N 0.17 0.21 -0.14 2.27 0.00 -1.26 -2.76 120.51 119.00 2hky n ALA 61 Ca -0.18 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2hky n ALA 61 Cb 0.62 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2hky n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky h LYS 63 N 0.00 0.00 0.00 0.00 1.79 -1.94 -3.46 116.57 112.96 2hky h LYS 63 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2hky h LYS 63 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2hky h LYS 63 CO 0.00 0.00 -0.17 -1.71 -1.08 0.00 0.00 179.45 176.49 2hky n ASN 64 N -2.68 -0.06 0.00 0.86 5.15 -1.25 -4.90 115.26 112.38 2hky n ASN 64 Ca -0.00 -1.34 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 2hky n ASN 64 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hky n GLY 65 N 0.02 -0.52 0.37 8.20 0.00 -1.26 -4.99 105.19 107.01 2hky n GLY 65 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2hky n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hky h ASP 66 N 0.00 0.45 -6.26 1.61 5.19 -1.83 -3.46 116.42 112.12 2hky h ASP 66 Ca 0.00 0.02 -0.45 0.00 -0.62 0.00 0.00 57.03 55.98 2hky h ASP 66 Cb 0.00 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.45 2hky h ASP 66 CO 0.00 0.24 -0.86 0.29 -3.12 0.00 0.00 179.24 175.80 2hky n LYS 67 N -4.49 -4.16 0.00 3.56 5.02 -1.11 -4.81 118.16 112.17 2hky n LYS 67 Ca 0.13 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2hky n LYS 67 Cb 0.46 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 2hky n LYS 67 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hky n ASN 68 N -3.02 0.56 -4.93 4.39 4.13 -1.24 -4.74 115.26 110.41 2hky n ASN 68 Ca -0.30 -0.79 -0.25 0.00 1.68 0.00 0.00 54.58 54.92 2hky n ASN 68 Cb 0.68 0.36 0.01 0.00 -1.54 0.00 0.00 39.78 39.29 2hky n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hky s HIS 70 N -2.63 -0.73 -0.09 0.00 3.76 -0.14 -3.49 115.29 111.97 2hky s HIS 70 Ca 0.48 1.35 -0.14 0.00 -0.15 0.00 0.00 55.06 56.59 2hky s HIS 70 Cb -0.10 0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.75 2hky s HIS 70 CO 0.40 -0.48 0.35 -1.14 -0.85 0.00 0.00 174.74 173.03 2hky s GLN 71 N 2.57 4.06 0.83 1.40 0.74 -1.26 -1.07 119.66 126.93 2hky s GLN 71 Ca 0.00 0.26 -0.15 0.00 0.05 0.00 0.00 55.36 55.53 2hky s GLN 71 Cb -0.12 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2hky s GLN 71 CO -0.12 0.45 0.50 -1.13 -0.55 0.00 0.00 175.29 174.45 2hky n SER 72 N 2.75 -1.49 -1.18 6.67 3.41 -0.10 -4.75 113.62 118.93 2hky n SER 72 Ca -0.13 0.47 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 2hky n SER 72 Cb 0.52 -1.23 0.09 0.00 -0.26 0.00 0.00 64.21 63.34 2hky n SER 72 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2hky n HIS 73 N -2.96 0.82 -2.19 7.33 -0.00 -1.26 -4.81 115.22 112.15 2hky n HIS 73 Ca 0.09 -0.60 0.00 0.00 -0.00 0.00 0.00 57.72 57.21 2hky n HIS 73 Cb 0.52 -0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 2hky n HIS 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hky n GLY 74 N 0.08 -1.71 3.67 -1.41 0.00 -1.26 -5.11 105.19 99.45 2hky n GLY 74 Ca 0.14 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2hky n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hky s PRO 75 N -1.56 4.27 -0.09 1.61 0.04 -1.26 -3.17 135.00 134.85 2hky s PRO 75 Ca 0.00 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 2hky s PRO 75 Cb 0.00 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2hky s PRO 75 CO 0.00 -0.61 0.01 0.54 0.04 0.00 0.00 177.00 176.98 2hky s VAL 76 N 3.06 4.39 -1.00 -0.36 0.11 -0.71 -4.67 120.40 121.22 2hky s VAL 76 Ca 0.53 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 2hky s VAL 76 Cb -0.22 -2.85 -0.15 0.00 -1.53 0.00 0.00 36.38 31.63 2hky s VAL 76 CO 0.16 0.60 2.14 -0.55 -3.33 0.00 0.00 175.10 174.12 2hky s SER 77 N -0.91 4.06 0.72 3.54 0.15 -1.26 -2.34 113.70 117.66 2hky s SER 77 Ca 0.14 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 56.03 2hky s SER 77 Cb -0.11 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.76 2hky s SER 77 CO 0.03 -3.96 0.97 0.00 1.20 0.00 0.00 173.24 171.48 2hky n LEU 78 N 17.75 0.00 -3.55 3.45 -0.00 0.11 -1.68 117.00 133.08 2hky n LEU 78 Ca 0.43 -2.16 -0.23 0.00 -0.00 0.00 0.00 56.01 54.05 2hky n LEU 78 Cb 0.46 -0.62 -0.15 0.00 -0.00 0.00 0.00 43.42 43.11 2hky n LEU 78 CO 0.59 -0.95 -0.28 -0.89 -0.00 0.00 0.00 177.39 175.87 2hky s THR 79 N -3.03 -0.19 -0.49 1.47 2.01 0.92 -0.79 115.64 115.54 2hky s THR 79 Ca 0.66 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.22 2hky s THR 79 Cb -0.04 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.85 2hky s THR 79 CO 0.43 -0.29 0.82 -0.04 -0.69 0.00 0.00 174.62 174.85 2hky s MET 80 N 2.22 3.35 0.14 4.92 -1.94 0.89 -0.17 119.30 128.69 2hky s MET 80 Ca 0.05 -0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 53.71 2hky s MET 80 Cb -0.16 -4.00 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 2hky s MET 80 CO -0.13 -1.26 0.40 0.00 -0.01 0.00 0.00 175.02 174.02 2hky s LYS 82 N -2.47 0.81 -0.45 0.00 -2.85 -1.05 -2.34 119.74 111.39 2hky s LYS 82 Ca 0.40 -1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 53.98 2hky s LYS 82 Cb -0.12 -0.52 0.02 0.00 -2.06 0.00 0.00 37.83 35.14 2hky s LYS 82 CO 0.22 0.08 1.35 -1.17 0.10 0.00 0.00 175.35 175.93 2hky s LEU 83 N -2.30 3.57 0.01 2.77 2.96 0.48 -2.29 118.68 123.89 2hky s LEU 83 Ca 0.03 0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 54.37 2hky s LEU 83 Cb -0.04 -3.48 -0.18 0.00 0.50 0.00 0.00 46.19 43.00 2hky s LEU 83 CO 0.00 -1.43 1.36 0.71 -1.32 0.00 0.00 176.35 175.67 2hky h THR 84 N 6.40 1.33 0.00 3.68 1.35 -1.42 -3.49 112.91 120.77 2hky h THR 84 Ca -0.26 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2hky h THR 84 Cb 1.09 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2hky h THR 84 CO 1.11 0.28 0.00 -1.54 -0.25 0.00 0.00 175.52 175.12 2hky n SER 85 N -4.81 0.00 0.00 5.36 3.41 -1.13 -5.00 113.62 111.46 2hky n SER 85 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2hky n SER 85 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2hky n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hky n GLY 86 N -1.07 0.32 4.16 5.00 0.00 -1.25 -1.72 105.19 110.63 2hky n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hky n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hky n LYS 87 N 0.00 0.00 -0.06 1.61 5.02 -1.25 -3.17 118.16 120.31 2hky n LYS 87 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2hky n LYS 87 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 2hky n LYS 87 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2hky h TYR 88 N 0.00 0.17 0.00 2.13 3.20 -1.96 -1.20 116.97 119.30 2hky h TYR 88 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2hky h TYR 88 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2hky h TYR 88 CO 0.00 1.45 0.00 -0.35 -1.64 0.00 0.00 178.16 177.62 2hky n PRO 89 N -4.25 0.99 -1.28 1.82 -0.04 -1.26 -3.55 135.00 127.42 2hky n PRO 89 Ca -0.26 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.16 2hky n PRO 89 Cb 0.74 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 2hky n PRO 89 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hky n ASN 90 N -0.69 -0.41 -4.70 3.54 4.13 -1.19 -5.11 115.26 110.83 2hky n ASN 90 Ca 0.09 -2.01 -0.42 0.00 1.68 0.00 0.00 54.58 53.92 2hky n ASN 90 Cb 0.04 0.14 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hky s ARG 92 N 1.53 3.17 0.31 0.00 1.70 -0.70 -4.94 118.95 120.02 2hky s ARG 92 Ca 0.47 -0.64 0.08 0.00 -0.47 0.00 0.00 55.73 55.18 2hky s ARG 92 Cb -0.19 -2.63 -0.04 0.00 -0.57 0.00 0.00 34.95 31.53 2hky s ARG 92 CO 0.21 0.37 0.15 0.71 -1.08 0.00 0.00 175.30 175.66 2hky s TYR 93 N -0.04 2.83 -0.06 5.89 1.51 -1.26 -1.08 117.35 125.14 2hky s TYR 93 Ca -0.02 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2hky s TYR 93 Cb -0.14 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 2hky s TYR 93 CO 0.04 0.40 -0.21 0.15 -1.11 0.00 0.00 175.55 174.82 2hky s LYS 94 N -3.84 2.59 -0.17 -0.62 -0.14 -0.97 -3.81 119.74 112.78 2hky s LYS 94 Ca 0.36 -0.84 -0.18 0.00 -1.36 0.00 0.00 55.97 53.96 2hky s LYS 94 Cb -0.05 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 2hky s LYS 94 CO 0.23 0.43 0.48 -1.83 -0.76 0.00 0.00 175.35 173.91 2hky s GLU 95 N -0.27 4.24 -0.34 1.68 -1.05 -1.26 -2.52 118.70 119.17 2hky s GLU 95 Ca 0.00 0.39 -0.04 0.00 -0.15 0.00 0.00 54.97 55.17 2hky s GLU 95 Cb -0.13 -3.51 0.06 0.00 -0.44 0.00 0.00 34.13 30.11 2hky s GLU 95 CO 0.03 -0.02 0.10 0.21 0.95 0.00 0.00 175.26 176.52 2hky s LYS 96 N 1.23 2.45 -0.42 -4.83 2.20 -0.86 -4.97 119.74 114.54 2hky s LYS 96 Ca 0.24 -1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 2hky s LYS 96 Cb -0.15 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2hky s LYS 96 CO 0.09 -0.74 1.35 0.50 -0.36 0.00 0.00 175.35 176.19 2hky s ARG 97 N 1.31 3.61 0.37 4.03 3.52 -1.26 -0.08 118.95 130.45 2hky s ARG 97 Ca -0.01 0.86 0.08 0.00 -0.13 0.00 0.00 55.73 56.53 2hky s ARG 97 Cb -0.20 -4.00 -0.07 0.00 -1.56 0.00 0.00 34.95 29.12 2hky s ARG 97 CO 0.00 -1.52 -0.03 -0.65 -0.81 0.00 0.00 175.30 172.30 2hky s GLN 98 N 4.81 1.85 -0.23 5.12 -1.52 0.03 -4.96 119.66 124.76 2hky s GLN 98 Ca 0.58 -2.00 -0.01 0.00 -1.95 0.00 0.00 55.36 51.98 2hky s GLN 98 Cb -0.12 -1.56 0.07 0.00 -0.22 0.00 0.00 33.01 31.17 2hky s GLN 98 CO 0.32 0.02 0.00 -0.80 -0.25 0.00 0.00 175.29 174.58 2hky s ASN 99 N -3.63 3.53 0.08 5.90 -0.87 -1.26 0.09 114.94 118.77 2hky s ASN 99 Ca 0.34 -1.12 -0.21 0.00 -1.57 0.00 0.00 52.86 50.30 2hky s ASN 99 Cb 0.07 -0.93 0.05 0.00 -0.02 0.00 0.00 41.25 40.42 2hky s ASN 99 CO 0.17 -0.29 0.51 -0.54 -2.57 0.00 0.00 177.10 174.38 2hky s LYS 100 N 1.59 1.08 -0.32 -0.60 1.02 -0.99 -4.72 119.74 116.81 2hky s LYS 100 Ca -0.02 -0.37 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 2hky s LYS 100 Cb -0.18 0.49 0.01 0.00 -0.52 0.00 0.00 37.83 37.63 2hky s LYS 100 CO -0.09 -0.41 0.97 -1.12 -0.92 0.00 0.00 175.35 173.78 2hky s SER 101 N -2.27 6.82 0.18 2.83 0.01 -1.19 -1.74 113.70 118.35 2hky s SER 101 Ca -0.03 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.15 2hky s SER 101 Cb -0.00 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.76 2hky s SER 101 CO -0.06 -0.79 0.24 0.00 0.41 0.00 0.00 173.24 173.04 2hky n TYR 102 N 6.63 -2.68 -3.80 2.43 0.18 -1.26 -0.08 117.16 118.57 2hky n TYR 102 Ca 0.09 -0.65 -0.28 0.00 1.88 0.00 0.00 57.90 58.94 2hky n TYR 102 Cb 0.47 -0.17 -0.16 0.00 -0.38 0.00 0.00 39.34 39.11 2hky n TYR 102 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2hky s VAL 103 N -0.14 0.82 0.07 -3.48 1.01 0.91 -0.92 120.40 118.67 2hky s VAL 103 Ca 0.18 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2hky s VAL 103 Cb -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2hky s VAL 103 CO 0.11 -0.15 -0.07 0.54 0.00 0.00 0.00 175.10 175.53 2hky s VAL 104 N 1.72 3.55 0.52 2.92 0.11 -0.23 0.29 120.40 129.29 2hky s VAL 104 Ca -0.02 -1.06 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2hky s VAL 104 Cb -0.17 -2.63 0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2hky s VAL 104 CO -0.07 0.21 0.76 0.00 -3.33 0.00 0.00 175.10 172.67 2hky s ALA 105 N -1.16 3.67 0.12 1.54 0.00 0.11 -0.97 121.76 125.07 2hky s ALA 105 Ca 0.21 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2hky s ALA 105 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2hky s ALA 105 CO 0.12 -0.62 -0.14 0.00 0.00 0.00 0.00 175.76 175.12 2hky s LYS 107 N -2.58 0.96 0.24 0.00 1.02 -0.89 -4.88 119.74 113.61 2hky s LYS 107 Ca 0.08 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 2hky s LYS 107 Cb -0.05 0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 37.56 2hky s LYS 107 CO 0.03 -0.34 1.40 -1.25 -0.92 0.00 0.00 175.35 174.27 2hky s PRO 108 N -3.84 4.30 -0.55 -1.68 0.04 -1.26 -0.32 135.00 131.69 2hky s PRO 108 Ca 0.04 2.24 -0.34 0.00 0.04 0.00 0.00 61.00 62.98 2hky s PRO 108 Cb 0.03 -3.13 -0.14 0.00 0.04 0.00 0.00 34.50 31.30 2hky s PRO 108 CO -0.11 -0.37 2.34 -2.30 0.04 0.00 0.00 177.00 176.60 2hky n PRO 109 N 2.39 0.66 0.00 0.56 -0.02 -1.26 -4.85 135.00 132.47 2hky n PRO 109 Ca 0.06 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2hky n PRO 109 Cb 0.41 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2hky n PRO 109 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hky n GLN 110 N 8.31 0.00 0.00 -0.52 1.13 -1.26 -4.68 117.38 120.36 2hky n GLN 110 Ca 0.48 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 2hky n GLN 110 Cb 0.20 -0.08 0.00 0.00 0.11 0.00 0.00 30.24 30.46 2hky n GLN 110 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2hky n LYS 111 N 0.00 3.35 0.07 -1.09 0.00 -1.26 -4.72 118.16 114.51 2hky n LYS 111 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2hky n LYS 111 Cb 0.00 -0.72 -0.07 0.00 -0.00 0.00 0.00 35.03 34.24 2hky n LYS 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2hky h LYS 112 N 0.00 0.01 0.00 -1.58 3.11 -1.94 -3.48 116.57 112.69 2hky h LYS 112 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2hky h LYS 112 Cb 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 2hky h LYS 112 CO 0.00 0.94 0.00 -0.40 -2.81 0.00 0.00 179.45 177.18 2hky n ASP 113 N -3.44 0.00 0.32 4.20 5.75 -1.26 -4.61 116.55 117.51 2hky n ASP 113 Ca -0.01 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 54.98 2hky n ASP 113 Cb 0.88 0.00 1.11 0.00 -1.03 0.00 0.00 41.12 42.09 2hky n ASP 113 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2hky h SER 114 N 1.71 0.00 0.00 -1.12 0.02 -1.98 -3.41 113.55 108.77 2hky h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hky h SER 114 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hky h SER 114 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2hky n GLN 115 N -2.97 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 122.19 2hky n GLN 115 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2hky n GLN 115 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.49 2hky n GLN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hky n GLN 116 N -2.51 0.00 0.00 2.61 10.64 -1.26 -5.06 117.38 121.80 2hky n GLN 116 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2hky n GLN 116 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2hky n GLN 116 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2hky n PHE 117 N 0.00 0.00 0.00 2.61 3.01 -1.26 -4.57 117.46 117.25 2hky n PHE 117 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hky n PHE 117 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hky n PHE 117 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2hky n HIS 118 N 0.00 0.00 0.00 1.38 -0.00 -1.26 -4.84 115.22 110.50 2hky n HIS 118 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hky n HIS 118 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2hky n HIS 118 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 2hky n LEU 119 N 0.00 0.00 -3.32 0.27 -0.00 -1.13 -4.53 117.00 108.29 2hky n LEU 119 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 2hky n LEU 119 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 2hky n LEU 119 CO 0.00 0.00 -0.83 1.33 -0.00 0.00 0.00 177.39 177.89 2hky n VAL 120 N 0.00 0.00 -2.45 1.47 0.24 0.56 -3.77 118.33 114.37 2hky n VAL 120 Ca 0.00 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.34 61.50 2hky n VAL 120 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2hky n VAL 120 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2hky s PRO 121 N -1.25 3.22 0.00 7.34 0.04 -1.26 -2.09 135.00 140.99 2hky s PRO 121 Ca 0.39 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2hky s PRO 121 Cb -0.26 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.56 2hky s PRO 121 CO 0.61 -2.35 0.00 1.55 0.04 0.00 0.00 177.00 176.85 2hky n VAL 122 N 6.79 0.00 -2.67 -0.36 3.14 -0.86 -4.09 118.33 120.28 2hky n VAL 122 Ca 0.19 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.35 2hky n VAL 122 Cb 0.50 -0.59 0.07 0.00 -1.06 0.00 0.00 33.84 32.76 2hky n VAL 122 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 2hky s HIS 123 N 0.00 2.15 -0.25 1.45 2.46 -1.22 -4.60 115.29 115.28 2hky s HIS 123 Ca 0.00 -0.21 0.02 0.00 0.47 0.00 0.00 55.06 55.34 2hky s HIS 123 Cb 0.00 -2.79 0.06 0.00 -0.13 0.00 0.00 32.58 29.72 2hky s HIS 123 CO 0.00 -1.26 -0.11 -1.17 -2.47 0.00 0.00 174.74 169.74 2hky s LEU 124 N -4.91 3.19 0.06 8.88 1.98 -1.26 0.03 118.68 126.66 2hky s LEU 124 Ca 0.62 -1.30 -0.15 0.00 -2.89 0.00 0.00 54.13 50.40 2hky s LEU 124 Cb -0.08 -1.48 -0.22 0.00 0.66 0.00 0.00 46.19 45.07 2hky s LEU 124 CO 0.41 -0.18 1.19 0.44 -1.89 0.00 0.00 176.35 176.32 2hky h ASP 125 N 7.81 0.81 -5.97 3.68 5.19 0.40 -3.47 116.42 124.88 2hky h ASP 125 Ca -0.21 -0.72 0.41 0.00 -0.62 0.00 0.00 57.03 55.89 2hky h ASP 125 Cb 1.05 -0.25 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 2hky h ASP 125 CO 0.47 1.42 1.01 0.00 -3.12 0.00 0.00 179.24 179.01 2hky s ARG 126 N -3.39 0.07 -0.06 3.56 1.70 -0.78 -4.96 118.95 115.09 2hky s ARG 126 Ca -0.11 -0.04 0.05 0.00 -0.47 0.00 0.00 55.73 55.16 2hky s ARG 126 Cb 0.06 0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2hky s ARG 126 CO 0.89 -0.03 -0.23 0.08 -1.08 0.00 0.00 175.30 174.92 2hky s VAL 127 N -2.00 2.22 0.00 4.99 1.01 -1.26 -0.06 120.40 125.29 2hky s VAL 127 Ca 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2hky s VAL 127 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2hky s VAL 127 CO -0.03 0.57 0.39 -0.11 0.00 0.00 0.00 175.10 175.92