#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky s LYS 1 N 0.00 3.53 0.52 0.03 -2.85 -1.26 -5.00 119.74 114.71 2hky s LYS 1 Ca 0.00 1.47 -0.04 0.00 -1.00 0.00 0.00 55.97 56.40 2hky s LYS 1 Cb 0.00 -2.04 0.07 0.00 -2.06 0.00 0.00 37.83 33.79 2hky s LYS 1 CO 0.00 -0.67 0.15 -2.30 0.10 0.00 0.00 175.35 172.63 2hky n PRO 2 N -1.22 0.52 -3.64 1.78 -0.02 -1.26 -5.05 135.00 126.11 2hky n PRO 2 Ca 0.10 -0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.31 2hky n PRO 2 Cb 0.52 -0.86 -0.07 0.00 -0.02 0.00 0.00 33.50 33.07 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 -2.15 0.39 0.00 -0.52 -2.85 -1.26 -4.89 119.74 108.46 2hky s LYS 3 Ca 0.12 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 2hky s LYS 3 Cb -0.02 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2hky s LYS 3 CO 0.10 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.88 2hky n GLY 4 N 3.68 1.09 2.21 0.59 0.00 -1.26 -4.85 105.19 106.66 2hky n GLY 4 Ca -0.18 0.00 -0.23 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 -2.00 0.72 -0.91 1.61 2.81 -1.26 -4.95 117.12 113.13 2hky n MET 5 Ca 0.00 -3.16 -0.35 0.00 -1.81 0.00 0.00 57.70 52.38 2hky n MET 5 Cb 0.00 -1.24 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 1.38 0.00 -0.06 2.03 -1.04 -1.26 -3.83 114.28 111.49 2hky n THR 6 Ca 0.21 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.77 2hky n THR 6 Cb 0.54 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.76 2hky n THR 6 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2hky h SER 7 N -1.25 -1.54 0.01 8.00 0.87 -1.97 0.36 113.55 118.04 2hky h SER 7 Ca -0.44 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2hky h SER 7 Cb 1.32 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 63.91 2hky h SER 7 CO 0.27 -0.42 -0.03 0.28 -0.53 0.00 0.00 176.83 176.40 2hky h SER 8 N -0.45 0.05 0.06 6.23 0.02 -1.85 -1.74 113.55 115.86 2hky h SER 8 Ca 0.08 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2hky h SER 8 Cb 0.63 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2hky h SER 8 CO -0.49 0.09 -0.03 1.56 -1.14 0.00 0.00 176.83 176.82 2hky h GLN 9 N 0.05 -0.07 -0.72 3.45 1.08 -0.71 0.21 115.11 118.41 2hky h GLN 9 Ca 0.01 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2hky h GLN 9 Cb 0.09 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 2hky h GLN 9 CO 0.00 0.26 0.47 2.35 -0.95 0.00 0.00 178.83 180.96 2hky h TRP 10 N -0.41 0.81 0.00 2.96 -0.00 -0.18 0.61 115.95 119.75 2hky h TRP 10 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2hky h TRP 10 Cb 0.36 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.25 2hky h TRP 10 CO 0.04 0.46 -0.02 1.19 -0.00 0.00 0.00 178.44 180.10 2hky n PHE 11 N -4.46 0.07 0.05 2.65 3.01 -0.69 -2.10 117.46 115.98 2hky n PHE 11 Ca 0.09 0.02 -0.01 0.00 1.01 0.00 0.00 57.45 58.56 2hky n PHE 11 Cb 0.15 -0.52 -0.07 0.00 -0.01 0.00 0.00 39.48 39.03 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 0.51 116.57 121.26 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 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 2hky h LYS 12 CO 0.00 0.42 -0.36 -0.84 -2.09 0.00 0.00 179.45 176.58 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.31 0.22 117.51 119.56 2hky h ILE 13 Ca -0.14 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.35 2hky h ILE 13 Cb 1.62 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.91 2hky h ILE 13 CO 0.06 0.00 -1.12 0.00 -1.05 0.00 0.00 178.15 176.04 2hky n GLN 14 N -2.84 0.63 -0.66 0.16 10.64 -0.89 -4.65 117.38 119.76 2hky n GLN 14 Ca 0.03 -0.04 -0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2hky n GLN 14 Cb 0.52 -1.42 -0.01 0.00 -0.86 0.00 0.00 30.24 28.47 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 -1.61 0.00 -3.55 2.61 8.25 0.18 -4.65 115.22 116.44 2hky n HIS 15 Ca 0.02 -0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 57.00 2hky n HIS 15 Cb 0.35 0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.50 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 4.16 -0.00 -0.41 0.23 0.77 -1.35 119.30 122.69 2hky s MET 16 Ca 0.03 -0.04 0.15 0.00 -1.03 0.00 0.00 55.69 54.81 2hky s MET 16 Cb 0.04 -3.50 -0.19 0.00 -1.53 0.00 0.00 34.83 29.65 2hky s MET 16 CO -0.02 0.09 0.59 0.94 -2.03 0.00 0.00 175.02 174.59 2hky n GLN 17 N 4.12 1.58 -0.21 3.16 7.27 0.14 -4.16 117.38 129.28 2hky n GLN 17 Ca -0.12 -0.03 0.30 0.00 0.07 0.00 0.00 57.00 57.21 2hky n GLN 17 Cb 0.52 -1.26 0.56 0.00 2.41 0.00 0.00 30.24 32.46 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 -1.89 -3.37 132.00 130.54 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 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2hky h PRO 18 CO 0.00 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.22 2hky n SER 19 N -3.46 0.00 0.18 -2.05 7.64 -1.26 -5.04 113.62 109.63 2hky n SER 19 Ca 0.22 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.22 2hky n SER 19 Cb 1.38 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 64.70 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2hky h PRO 20 N 0.00 0.00 -0.40 1.43 0.13 -1.73 -3.48 132.00 127.94 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 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.81 2hky n GLN 21 N -2.93 0.00 -0.50 0.86 1.13 -1.26 -4.33 117.38 110.35 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 0.53 -0.38 0.00 0.00 0.11 0.00 0.00 30.24 30.51 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 -0.20 -2.49 0.03 -1.58 0.00 -1.26 -3.60 120.51 111.40 2hky n ALA 22 Ca 0.00 0.13 0.19 0.00 0.00 0.00 0.00 53.44 53.77 2hky n ALA 22 Cb 0.09 -0.76 0.69 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.30 0.54 0.00 -0.00 -1.81 0.63 115.58 114.64 2hky h ASN 24 Ca 0.23 0.09 -0.29 0.00 -0.00 0.00 0.00 56.30 56.33 2hky h ASN 24 Cb 0.94 0.19 0.01 0.00 -0.00 0.00 0.00 38.32 39.46 2hky h ASN 24 CO -0.00 -0.11 -1.31 -1.28 -0.00 0.00 0.00 177.43 174.73 2hky h SER 25 N -0.01 0.53 -0.91 1.15 0.87 -0.83 -2.25 113.55 112.10 2hky h SER 25 Ca 0.15 -0.57 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2hky h SER 25 Cb 0.23 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 2hky h SER 25 CO -0.32 1.45 0.60 0.00 -0.53 0.00 0.00 176.83 178.03 2hky h ALA 26 N 0.47 1.40 0.00 6.23 0.00 0.12 -0.01 119.26 127.48 2hky h ALA 26 Ca -0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2hky h ALA 26 Cb 2.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2hky h ALA 26 CO 0.22 0.52 -0.53 1.98 0.00 0.00 0.00 179.25 181.45 2hky h MET 27 N 1.17 0.00 -0.22 0.00 -1.53 0.23 -3.17 114.93 111.41 2hky h MET 27 Ca 0.35 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.58 2hky h MET 27 Cb -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.00 2hky h MET 27 CO -0.10 0.53 -0.01 0.87 0.14 0.00 0.00 176.91 178.34 2hky h LYS 28 N 0.00 0.33 0.00 0.39 1.79 -0.37 0.12 116.57 118.82 2hky h LYS 28 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2hky h LYS 28 Cb 1.33 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2hky h LYS 28 CO 0.07 0.37 0.00 -0.97 -1.08 0.00 0.00 179.45 177.83 2hky h ASN 29 N 0.32 0.00 0.46 0.86 -1.24 -1.43 -2.77 115.58 111.78 2hky h ASN 29 Ca 0.07 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.78 2hky h ASN 29 Cb 0.24 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2hky h ASN 29 CO 0.01 0.00 -1.64 0.40 -1.29 0.00 0.00 177.43 174.91 2hky h ILE 30 N 0.00 0.99 0.00 2.57 1.08 -1.14 -2.86 117.51 118.15 2hky h ILE 30 Ca 0.00 -2.73 -0.01 0.00 -0.39 0.00 0.00 64.86 61.73 2hky h ILE 30 Cb 0.60 2.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2hky h ILE 30 CO 0.00 0.72 -0.06 -0.55 -0.69 0.00 0.00 178.15 177.58 2hky h ASN 31 N 0.04 0.00 0.45 1.72 -0.00 -0.94 0.38 115.58 117.23 2hky h ASN 31 Ca -0.27 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 55.72 2hky h ASN 31 Cb 2.00 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.30 2hky h ASN 31 CO 0.11 0.06 -1.60 0.07 -0.00 0.00 0.00 177.43 176.07 2hky h LYS 32 N 0.00 0.18 0.00 4.14 5.09 -1.55 0.29 116.57 124.72 2hky h LYS 32 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 60.65 60.44 2hky h LYS 32 Cb 0.54 0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.98 2hky h LYS 32 CO 0.01 0.98 -0.41 0.72 -2.09 0.00 0.00 179.45 178.65 2hky n HIS 33 N -3.36 0.37 0.14 0.07 8.25 -0.99 -3.73 115.22 115.97 2hky n HIS 33 Ca -0.17 0.11 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2hky n HIS 33 Cb 1.04 -0.56 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 2hky n HIS 33 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2hky n THR 34 N -1.87 0.00 -2.35 1.59 -2.24 0.13 -4.98 114.28 104.56 2hky n THR 34 Ca 0.05 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 2hky n THR 34 Cb 0.39 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.66 -2.02 -3.59 -0.78 4.76 1.00 -4.89 118.16 111.98 2hky n LYS 35 Ca 0.01 0.72 -0.09 0.00 -2.87 0.00 0.00 58.31 56.08 2hky n LYS 35 Cb 0.06 -5.31 -0.05 0.00 -1.84 0.00 0.00 35.03 27.89 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 -4.89 0.48 -0.68 1.97 6.06 -1.05 -5.01 118.95 115.83 2hky s ARG 36 Ca 0.00 0.12 -0.20 0.00 -2.50 0.00 0.00 55.73 53.15 2hky s ARG 36 Cb 0.00 0.23 0.10 0.00 0.06 0.00 0.00 34.95 35.34 2hky s ARG 36 CO 0.00 -0.15 0.85 0.00 -2.50 0.00 0.00 175.30 173.50 2hky n LYS 38 N 6.63 0.01 0.00 0.00 5.02 -1.26 -4.61 118.16 123.94 2hky n LYS 38 Ca -0.02 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2hky n LYS 38 Cb 0.45 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.40 0.00 -3.76 4.39 8.00 -1.26 -4.90 116.55 117.63 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 0.60 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.70 -0.19 0.64 1.98 -1.26 -0.37 118.68 120.18 2hky s LEU 40 Ca 0.00 0.65 -0.09 0.00 -2.89 0.00 0.00 54.13 51.79 2hky s LEU 40 Cb 0.00 1.08 0.07 0.00 0.66 0.00 0.00 46.19 48.00 2hky s LEU 40 CO 0.00 -0.12 0.45 0.20 -1.89 0.00 0.00 176.35 174.99 2hky s ASN 41 N 0.34 -0.52 0.13 3.68 0.01 -1.02 -4.98 114.94 112.58 2hky s ASN 41 Ca -0.01 0.99 0.04 0.00 -0.71 0.00 0.00 52.86 53.17 2hky s ASN 41 Cb -0.03 0.99 -0.04 0.00 0.41 0.00 0.00 41.25 42.57 2hky s ASN 41 CO -0.01 -0.21 0.13 0.42 -1.51 0.00 0.00 177.10 175.93 2hky s THR 42 N 1.71 4.61 0.09 1.60 -4.23 -1.26 -1.26 115.64 116.90 2hky s THR 42 Ca -0.08 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2hky s THR 42 Cb -0.09 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 2hky s THR 42 CO -0.14 -0.02 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.50 2hky s PHE 43 N -1.62 0.85 0.16 3.99 0.40 0.70 -4.37 117.98 118.09 2hky s PHE 43 Ca 0.31 -0.91 0.11 0.00 -0.60 0.00 0.00 56.93 55.84 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 -0.17 -0.24 -0.51 0.70 0.00 0.00 175.22 175.24 2hky s LEU 44 N -2.96 2.44 -0.85 -0.37 1.43 -0.46 -0.10 118.68 117.81 2hky s LEU 44 Ca 0.10 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2hky s LEU 44 Cb 0.05 -1.25 0.28 0.00 0.03 0.00 0.00 46.19 45.30 2hky s LEU 44 CO -0.05 0.15 1.13 1.57 0.23 0.00 0.00 176.35 179.38 2hky n HIS 45 N 0.58 2.99 -3.69 0.29 -0.00 -0.74 0.29 115.22 114.94 2hky n HIS 45 Ca -0.15 -3.37 -0.11 0.00 0.46 0.00 0.00 57.72 54.55 2hky n HIS 45 Cb 0.54 -0.89 -0.10 0.00 -0.12 0.00 0.00 29.99 29.42 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 0.45 0.12 1.57 2.56 -1.26 -4.64 118.70 114.76 2hky s GLU 46 Ca 0.36 0.80 -0.35 0.00 0.00 0.00 0.00 54.97 55.78 2hky s GLU 46 Cb 0.11 0.05 -0.15 0.00 2.00 0.00 0.00 34.13 36.14 2hky s GLU 46 CO 0.04 -0.14 1.49 -2.30 -0.56 0.00 0.00 175.26 173.79 2hky n PRO 47 N 3.97 1.75 0.33 4.30 -0.02 -1.26 -4.37 135.00 139.70 2hky n PRO 47 Ca -0.21 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 2hky n PRO 47 Cb 0.56 -2.35 0.37 0.00 -0.02 0.00 0.00 33.50 32.05 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 5.48 0.00 0.05 6.00 0.04 -1.99 3.09 116.94 129.61 2hky h PHE 48 Ca -0.46 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.08 2hky h PHE 48 Cb 1.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2hky h PHE 48 CO 0.62 0.00 -1.05 0.77 -0.60 0.00 0.00 178.31 178.05 2hky h SER 49 N 0.00 0.30 0.12 2.17 0.02 -1.97 0.44 113.55 114.62 2hky h SER 49 Ca 0.00 -0.28 -0.29 0.00 -0.84 0.00 0.00 61.79 60.37 2hky h SER 49 Cb 1.38 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2hky h SER 49 CO 0.00 1.16 -1.52 -1.28 -1.14 0.00 0.00 176.83 174.05 2hky h SER 50 N 0.08 0.39 -0.28 3.07 0.87 0.49 -2.87 113.55 115.30 2hky h SER 50 Ca -0.08 -0.86 -0.04 0.00 -1.23 0.00 0.00 61.79 59.59 2hky h SER 50 Cb 1.74 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 2hky h SER 50 CO 0.16 1.66 0.05 0.58 -0.53 0.00 0.00 176.83 178.76 2hky h VAL 51 N -0.25 1.19 0.05 2.23 2.07 0.41 0.41 116.25 122.36 2hky h VAL 51 Ca -0.33 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.50 2hky h VAL 51 Cb 1.81 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2hky h VAL 51 CO 0.06 0.25 -0.10 0.00 0.02 0.00 0.00 177.57 177.80 2hky h ALA 52 N 1.52 -0.15 -0.32 1.67 0.00 -0.16 0.26 119.26 122.08 2hky h ALA 52 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2hky h ALA 52 Cb 0.27 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2hky h ALA 52 CO 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 179.25 178.44 2hky h ALA 53 N 0.74 1.04 -0.62 0.00 0.00 -1.13 -2.12 119.26 117.16 2hky h ALA 53 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2hky h ALA 53 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2hky h ALA 53 CO -0.06 0.58 0.41 1.15 0.00 0.00 0.00 179.25 181.33 2hky h THR 54 N 0.54 1.12 0.00 0.00 2.02 0.65 0.19 112.91 117.42 2hky h THR 54 Ca 0.08 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2hky h THR 54 Cb 0.66 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2hky h THR 54 CO 0.05 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.08 2hky n GLN 56 N 0.16 0.65 -0.86 0.00 -0.06 0.66 -4.83 117.38 113.11 2hky n GLN 56 Ca 0.00 -0.13 -0.31 0.00 -2.00 0.00 0.00 57.00 54.56 2hky n GLN 56 Cb 0.21 -1.39 0.15 0.00 -4.06 0.00 0.00 30.24 25.15 2hky n GLN 56 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2hky s THR 57 N -3.10 2.42 0.15 1.69 -1.32 -1.11 -4.85 115.64 109.53 2hky s THR 57 Ca -0.05 0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.32 2hky s THR 57 Cb 0.11 -2.29 -0.15 0.00 -1.51 0.00 0.00 72.50 68.66 2hky s THR 57 CO 0.70 -0.18 0.51 -2.65 -2.21 0.00 0.00 174.62 170.79 2hky n PRO 58 N -4.04 0.00 -0.20 7.08 -0.02 -1.26 -4.69 135.00 131.88 2hky n PRO 58 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2hky n PRO 58 Cb 0.52 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.92 2.21 -3.68 -0.52 0.00 -1.26 -4.21 118.16 111.62 2hky n LYS 59 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.32 2hky n LYS 59 Cb 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.15 2hky n LYS 59 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2hky s ILE 60 N 1.41 0.03 -0.77 0.58 -4.36 -1.22 -4.96 121.20 111.91 2hky s ILE 60 Ca 0.00 -0.25 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 2hky s ILE 60 Cb 0.00 -0.73 -0.18 0.00 1.25 0.00 0.00 42.46 42.79 2hky s ILE 60 CO 0.00 -0.14 2.00 0.00 0.24 0.00 0.00 174.94 177.05 2hky n ALA 61 N 1.48 0.48 -1.00 2.27 0.00 -1.26 -2.95 120.51 119.52 2hky n ALA 61 Ca -0.19 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2hky n ALA 61 Cb 0.56 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2hky n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky n LYS 63 N -0.61 0.00 -0.86 0.00 4.76 -1.26 -4.75 118.16 115.44 2hky n LYS 63 Ca 0.00 0.33 -0.02 0.00 -2.87 0.00 0.00 58.31 55.75 2hky n LYS 63 Cb 0.00 -1.20 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 2hky n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hky n ASN 64 N -1.50 -0.30 0.00 4.39 3.02 -1.26 -4.89 115.26 114.73 2hky n ASN 64 Ca 0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 2hky n ASN 64 Cb 0.00 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hky n GLY 65 N 0.07 -0.38 0.24 7.41 0.00 -1.26 -5.02 105.19 106.25 2hky n GLY 65 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.76 -6.16 1.61 5.19 -1.85 -3.46 116.42 112.51 2hky h ASP 66 Ca 0.00 -0.34 -0.44 0.00 -0.62 0.00 0.00 57.03 55.63 2hky h ASP 66 Cb 0.00 -0.21 0.03 0.00 0.18 0.00 0.00 39.33 39.33 2hky h ASP 66 CO 0.00 1.07 -0.82 0.29 -3.12 0.00 0.00 179.24 176.65 2hky n LYS 67 N -4.04 -4.89 0.00 3.56 5.02 -1.15 -4.76 118.16 111.90 2hky n LYS 67 Ca -0.02 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2hky n LYS 67 Cb 0.53 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 2hky n LYS 67 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hky n ASN 68 N -3.01 1.54 -4.97 4.39 2.85 -1.24 -4.67 115.26 110.15 2hky n ASN 68 Ca -0.24 -1.55 -0.21 0.00 -0.11 0.00 0.00 54.58 52.47 2hky n ASN 68 Cb 0.65 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.67 2hky n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hky s HIS 70 N -2.25 -0.66 -0.07 0.00 3.76 -0.26 -3.45 115.29 112.35 2hky s HIS 70 Ca 0.43 1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 56.43 2hky s HIS 70 Cb -0.10 0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 2hky s HIS 70 CO 0.33 -0.47 0.39 -1.14 -0.85 0.00 0.00 174.74 173.00 2hky s GLN 71 N 2.54 4.10 0.33 1.40 0.74 -1.26 -1.26 119.66 126.25 2hky s GLN 71 Ca 0.01 0.33 -0.28 0.00 0.05 0.00 0.00 55.36 55.47 2hky s GLN 71 Cb -0.12 -3.33 -0.13 0.00 1.10 0.00 0.00 33.01 30.53 2hky s GLN 71 CO -0.12 0.44 1.25 0.43 -0.55 0.00 0.00 175.29 176.75 2hky n SER 72 N 2.74 2.55 -0.83 6.67 7.64 0.14 -4.78 113.62 127.75 2hky n SER 72 Ca -0.12 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2hky n SER 72 Cb 0.52 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2hky n SER 72 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2hky n HIS 73 N 0.36 0.00 -1.07 1.43 8.25 -1.26 -4.74 115.22 118.18 2hky n HIS 73 Ca 0.06 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2hky n HIS 73 Cb 0.35 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2hky n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hky n GLY 74 N 0.50 -1.73 3.67 -1.41 0.00 -1.26 -5.12 105.19 99.83 2hky n GLY 74 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.66 4.29 -0.08 1.61 0.04 -1.26 -3.23 135.00 134.72 2hky s PRO 75 Ca 0.00 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 2hky s PRO 75 Cb 0.00 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2hky s PRO 75 CO 0.00 -0.57 0.00 0.54 0.04 0.00 0.00 177.00 177.01 2hky s VAL 76 N 2.91 4.32 -0.98 -0.36 0.11 -0.54 -4.67 120.40 121.19 2hky s VAL 76 Ca 0.51 -0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 59.05 2hky s VAL 76 Cb -0.20 -2.82 -0.14 0.00 -1.53 0.00 0.00 36.38 31.69 2hky s VAL 76 CO 0.14 0.60 2.13 -0.55 -3.33 0.00 0.00 175.10 174.09 2hky s SER 77 N -0.91 4.21 0.74 3.54 0.15 -1.26 -2.35 113.70 117.81 2hky s SER 77 Ca 0.14 -0.76 0.01 0.00 0.70 0.00 0.00 55.95 56.03 2hky s SER 77 Cb -0.11 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.76 2hky s SER 77 CO 0.03 -3.78 1.01 -1.48 1.20 0.00 0.00 173.24 170.21 2hky s LEU 78 N 13.83 2.93 -0.19 3.45 0.05 0.13 -1.78 118.68 137.10 2hky s LEU 78 Ca 0.80 -0.54 -0.05 0.00 0.05 0.00 0.00 54.13 54.39 2hky s LEU 78 Cb -0.07 -1.69 0.07 0.00 -2.05 0.00 0.00 46.19 42.45 2hky s LEU 78 CO 0.10 -1.95 0.13 -0.89 -0.55 0.00 0.00 176.35 173.20 2hky s THR 79 N -3.15 -0.16 -0.48 5.48 2.01 0.86 -0.67 115.64 119.53 2hky s THR 79 Ca 0.68 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.26 2hky s THR 79 Cb -0.04 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2hky s THR 79 CO 0.45 -0.29 0.79 -0.04 -0.69 0.00 0.00 174.62 174.84 2hky s MET 80 N 2.19 3.35 0.13 4.92 -1.94 0.77 -0.21 119.30 128.51 2hky s MET 80 Ca 0.04 -0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 53.69 2hky s MET 80 Cb -0.16 -3.98 -0.06 0.00 2.01 0.00 0.00 34.83 32.64 2hky s MET 80 CO -0.12 -1.20 0.43 0.00 -0.01 0.00 0.00 175.02 174.12 2hky s LYS 82 N -2.34 0.78 -0.44 0.00 -2.85 -1.06 -2.42 119.74 111.40 2hky s LYS 82 Ca 0.39 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.99 2hky s LYS 82 Cb -0.13 -0.46 0.01 0.00 -2.06 0.00 0.00 37.83 35.19 2hky s LYS 82 CO 0.21 0.07 1.39 -1.17 0.10 0.00 0.00 175.35 175.95 2hky s LEU 83 N -2.29 3.56 0.02 2.77 2.96 0.50 -2.35 118.68 123.85 2hky s LEU 83 Ca 0.03 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.42 2hky s LEU 83 Cb -0.04 -3.48 -0.17 0.00 0.50 0.00 0.00 46.19 43.01 2hky s LEU 83 CO -0.00 -1.46 1.39 0.71 -1.32 0.00 0.00 176.35 175.66 2hky h THR 84 N 6.45 1.31 0.00 3.68 1.35 -1.17 -3.49 112.91 121.03 2hky h THR 84 Ca -0.27 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2hky h THR 84 Cb 1.10 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2hky h THR 84 CO 1.10 0.27 0.00 -1.54 -0.25 0.00 0.00 175.52 175.10 2hky n SER 85 N -4.80 0.00 0.00 5.36 3.41 -1.13 -4.99 113.62 111.47 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 -1.08 3.84 0.00 5.00 0.00 -1.26 -2.03 105.19 109.67 2hky n GLY 86 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.03 1.61 5.02 -1.25 -4.47 118.16 119.04 2hky n LYS 87 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 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 0.98 -0.52 0.00 0.00 177.40 177.86 2hky n TYR 88 N 2.99 1.14 1.47 2.13 9.36 -1.26 -2.54 117.16 130.45 2hky n TYR 88 Ca 0.00 0.29 0.14 0.00 3.32 0.00 0.00 57.90 61.65 2hky n TYR 88 Cb 0.00 -1.14 0.58 0.00 -0.63 0.00 0.00 39.34 38.14 2hky n TYR 88 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2hky n PRO 89 N -3.71 1.03 -1.44 2.98 -0.04 -1.26 -3.98 135.00 128.58 2hky n PRO 89 Ca -0.33 -0.47 0.03 0.00 -0.04 0.00 0.00 63.50 62.69 2hky n PRO 89 Cb 0.96 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.94 2hky n PRO 89 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2hky n ASN 90 N -0.58 0.78 -4.70 3.54 2.85 -1.26 -5.09 115.26 110.81 2hky n ASN 90 Ca 0.16 -2.00 -0.42 0.00 -0.11 0.00 0.00 54.58 52.22 2hky n ASN 90 Cb 0.29 -0.24 -0.03 0.00 1.24 0.00 0.00 39.78 41.05 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hky s ARG 92 N 1.55 3.00 0.31 0.00 1.70 -0.86 -4.93 118.95 119.72 2hky s ARG 92 Ca 0.47 -0.57 0.09 0.00 -0.47 0.00 0.00 55.73 55.25 2hky s ARG 92 Cb -0.19 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.50 2hky s ARG 92 CO 0.21 0.52 0.08 0.71 -1.08 0.00 0.00 175.30 175.74 2hky s TYR 93 N -0.42 2.70 -0.05 5.89 1.51 -1.26 -0.60 117.35 125.12 2hky s TYR 93 Ca 0.06 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2hky s TYR 93 Cb -0.12 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2hky s TYR 93 CO 0.02 0.45 -0.24 0.15 -1.11 0.00 0.00 175.55 174.82 2hky s LYS 94 N -3.78 2.42 -0.19 -0.62 -0.14 -0.99 -3.86 119.74 112.59 2hky s LYS 94 Ca 0.35 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2hky s LYS 94 Cb -0.04 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 2hky s LYS 94 CO 0.21 0.46 0.49 -1.83 -0.76 0.00 0.00 175.35 173.92 2hky s GLU 95 N -0.35 4.20 -0.36 1.68 -1.05 -1.26 -2.58 118.70 118.98 2hky s GLU 95 Ca 0.02 0.37 -0.06 0.00 -0.15 0.00 0.00 54.97 55.15 2hky s GLU 95 Cb -0.12 -3.55 0.06 0.00 -0.44 0.00 0.00 34.13 30.07 2hky s GLU 95 CO 0.02 -0.11 0.13 0.21 0.95 0.00 0.00 175.26 176.47 2hky s LYS 96 N 1.50 2.53 -0.44 -4.83 2.20 -0.86 -4.97 119.74 114.88 2hky s LYS 96 Ca 0.23 -1.31 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 2hky s LYS 96 Cb -0.15 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2hky s LYS 96 CO 0.09 -0.76 1.37 0.50 -0.36 0.00 0.00 175.35 176.19 2hky s ARG 97 N 1.36 3.57 0.35 4.03 3.52 -1.26 -0.16 118.95 130.35 2hky s ARG 97 Ca -0.00 0.83 0.09 0.00 -0.13 0.00 0.00 55.73 56.52 2hky s ARG 97 Cb -0.21 -4.02 -0.06 0.00 -1.56 0.00 0.00 34.95 29.10 2hky s ARG 97 CO 0.01 -1.58 -0.05 -1.14 -0.81 0.00 0.00 175.30 171.74 2hky s GLN 98 N 4.93 1.92 -0.23 5.12 -0.44 0.15 -4.96 119.66 126.16 2hky s GLN 98 Ca 0.58 -1.89 -0.01 0.00 -2.50 0.00 0.00 55.36 51.55 2hky s GLN 98 Cb -0.12 -1.78 0.06 0.00 -1.64 0.00 0.00 33.01 29.53 2hky s GLN 98 CO 0.32 0.12 -0.00 0.54 0.50 0.00 0.00 175.29 176.77 2hky s ASN 99 N -3.66 3.53 0.14 6.67 2.20 -1.26 0.21 114.94 122.77 2hky s ASN 99 Ca 0.34 -1.11 -0.22 0.00 -0.94 0.00 0.00 52.86 50.93 2hky s ASN 99 Cb 0.02 -0.93 0.06 0.00 -2.00 0.00 0.00 41.25 38.40 2hky s ASN 99 CO 0.18 -0.28 0.55 -0.54 -2.94 0.00 0.00 177.10 174.07 2hky s LYS 100 N 1.58 1.21 -0.31 3.55 1.02 -0.99 -4.73 119.74 121.07 2hky s LYS 100 Ca -0.02 -0.49 -0.26 0.00 0.02 0.00 0.00 55.97 55.22 2hky s LYS 100 Cb -0.18 0.55 0.01 0.00 -0.52 0.00 0.00 37.83 37.69 2hky s LYS 100 CO -0.09 -0.51 0.92 -1.12 -0.92 0.00 0.00 175.35 173.63 2hky s SER 101 N -2.68 6.79 0.26 2.83 0.01 -1.20 -1.47 113.70 118.24 2hky s SER 101 Ca 0.01 0.85 0.04 0.00 1.31 0.00 0.00 55.95 58.16 2hky s SER 101 Cb -0.00 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.80 2hky s SER 101 CO -0.12 -0.73 0.34 0.00 0.41 0.00 0.00 173.24 173.15 2hky n TYR 102 N 6.48 -2.60 -3.81 2.43 0.18 -1.26 -0.16 117.16 118.43 2hky n TYR 102 Ca 0.07 -0.94 -0.28 0.00 1.88 0.00 0.00 57.90 58.63 2hky n TYR 102 Cb 0.48 -0.24 -0.16 0.00 -0.38 0.00 0.00 39.34 39.03 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 -0.62 0.85 0.02 -3.48 1.01 0.89 -0.69 120.40 118.38 2hky s VAL 103 Ca 0.26 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2hky s VAL 103 Cb -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2hky s VAL 103 CO 0.17 -0.14 -0.05 0.54 0.00 0.00 0.00 175.10 175.61 2hky s VAL 104 N 1.71 3.75 0.50 2.92 0.11 -0.39 0.34 120.40 129.34 2hky s VAL 104 Ca -0.02 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.23 2hky s VAL 104 Cb -0.17 -2.66 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2hky s VAL 104 CO -0.07 0.35 0.74 0.00 -3.33 0.00 0.00 175.10 172.79 2hky s ALA 105 N -1.05 3.70 0.10 1.54 0.00 0.10 -1.10 121.76 125.05 2hky s ALA 105 Ca 0.18 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2hky s ALA 105 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2hky s ALA 105 CO 0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 175.76 175.22 2hky s LYS 107 N -3.48 0.96 0.26 0.00 1.02 -0.94 -4.90 119.74 112.68 2hky s LYS 107 Ca 0.09 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 2hky s LYS 107 Cb 0.02 0.41 -0.11 0.00 -0.52 0.00 0.00 37.83 37.63 2hky s LYS 107 CO -0.03 -0.35 1.54 -1.25 -0.92 0.00 0.00 175.35 174.35 2hky s PRO 108 N -3.83 4.18 -0.57 -1.68 0.04 -1.26 -0.78 135.00 131.10 2hky s PRO 108 Ca 0.04 2.47 -0.35 0.00 0.04 0.00 0.00 61.00 63.20 2hky s PRO 108 Cb 0.03 -3.06 -0.15 0.00 0.04 0.00 0.00 34.50 31.35 2hky s PRO 108 CO -0.11 -0.56 2.33 -2.30 0.04 0.00 0.00 177.00 176.40 2hky n PRO 109 N 2.44 0.53 0.00 0.56 -0.02 -1.26 -4.86 135.00 132.38 2hky n PRO 109 Ca 0.08 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2hky n PRO 109 Cb 0.38 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 8.20 0.00 0.00 -0.52 1.13 -1.26 -4.67 117.38 120.26 2hky n GLN 110 Ca 0.50 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 2hky n GLN 110 Cb 0.15 -0.12 0.00 0.00 0.11 0.00 0.00 30.24 30.38 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 3.17 0.09 -1.09 -0.00 -1.26 -4.73 118.16 114.34 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 -0.70 -0.03 0.00 -0.00 0.00 0.00 35.03 34.30 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 0.05 -0.03 -1.58 3.11 -1.94 -3.48 116.57 112.70 2hky h LYS 112 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2hky h LYS 112 Cb 0.08 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2hky h LYS 112 CO 0.00 0.91 0.00 -0.40 -2.81 0.00 0.00 179.45 177.15 2hky n ASP 113 N -3.52 0.00 0.09 4.20 5.75 -1.26 -4.63 116.55 117.19 2hky n ASP 113 Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 54.96 2hky n ASP 113 Cb 0.84 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.68 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 1.60 0.00 0.00 -1.12 0.02 -1.98 -3.39 113.55 108.68 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 -4.02 0.00 0.00 3.45 6.02 -1.26 -5.05 117.38 116.52 2hky n GLN 115 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2hky n GLN 115 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 2hky n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hky n GLN 116 N -2.99 0.00 0.00 -1.09 10.64 -1.26 -5.07 117.38 117.61 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 -4.58 117.46 117.24 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 -2.39 1.01 0.00 0.00 176.76 175.38 2hky n HIS 118 N 0.00 0.00 0.00 1.38 1.44 -1.26 -4.88 115.22 111.90 2hky n HIS 118 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2hky n HIS 118 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2hky n HIS 118 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 2hky n LEU 119 N 0.00 0.00 -4.07 2.39 -0.00 -1.18 -4.53 117.00 109.61 2hky n LEU 119 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 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 -0.90 1.33 -0.00 0.00 0.00 177.39 177.82 2hky n VAL 120 N 0.00 0.00 -2.52 1.47 0.24 0.04 -3.98 118.33 113.58 2hky n VAL 120 Ca 0.00 -0.49 -0.40 0.00 -2.04 0.00 0.00 64.34 61.41 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 -1.37 3.38 0.00 7.34 0.04 -1.26 -2.21 135.00 140.92 2hky s PRO 121 Ca 0.49 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.80 2hky s PRO 121 Cb -0.37 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2hky s PRO 121 CO 0.71 -2.25 0.00 1.55 0.04 0.00 0.00 177.00 177.05 2hky n VAL 122 N 6.76 0.00 -2.53 -0.36 3.14 -0.74 -4.14 118.33 120.46 2hky n VAL 122 Ca 0.22 0.04 -0.23 0.00 -2.96 0.00 0.00 64.34 61.41 2hky n VAL 122 Cb 0.50 -0.68 0.08 0.00 -1.06 0.00 0.00 33.84 32.68 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 -0.08 2.22 -0.28 1.45 5.65 -1.21 -4.59 115.29 118.45 2hky s HIS 123 Ca 0.00 -0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.28 2hky s HIS 123 Cb 0.00 -2.97 0.07 0.00 -1.18 0.00 0.00 32.58 28.50 2hky s HIS 123 CO 0.00 -1.40 -0.05 -1.17 -0.65 0.00 0.00 174.74 171.47 2hky s LEU 124 N -5.05 3.71 0.15 8.88 2.96 -1.26 0.02 118.68 128.08 2hky s LEU 124 Ca 0.62 -1.61 -0.11 0.00 -0.22 0.00 0.00 54.13 52.81 2hky s LEU 124 Cb -0.08 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2hky s LEU 124 CO 0.43 -0.26 1.54 0.44 -1.32 0.00 0.00 176.35 177.17 2hky h ASP 125 N 7.75 0.94 -5.98 3.68 5.19 0.54 -3.47 116.42 125.08 2hky h ASP 125 Ca -0.14 -0.39 0.41 0.00 -0.62 0.00 0.00 57.03 56.29 2hky h ASP 125 Cb 1.04 -0.26 -0.08 0.00 0.18 0.00 0.00 39.33 40.21 2hky h ASP 125 CO 0.47 1.12 1.01 0.00 -3.12 0.00 0.00 179.24 178.73 2hky s ARG 126 N -4.69 0.05 -0.07 3.56 1.70 -0.78 -4.95 118.95 113.77 2hky s ARG 126 Ca -0.12 -0.03 0.05 0.00 -0.47 0.00 0.00 55.73 55.16 2hky s ARG 126 Cb 0.11 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 2hky s ARG 126 CO 0.85 -0.02 -0.24 0.08 -1.08 0.00 0.00 175.30 174.89 2hky s VAL 127 N -2.00 2.08 0.00 4.99 1.01 -1.26 -0.08 120.40 125.14 2hky s VAL 127 Ca 0.32 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2hky s VAL 127 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2hky s VAL 127 CO -0.03 0.57 0.40 -0.11 0.00 0.00 0.00 175.10 175.92