#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 1.98 0.00 0.03 0.00 -1.26 -5.04 119.74 115.45 2hky s LYS 1 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 55.97 56.49 2hky s LYS 1 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 37.83 35.91 2hky s LYS 1 CO 0.00 -1.67 0.00 -2.30 0.00 0.00 0.00 175.35 171.38 2hky n PRO 2 N -3.44 0.92 -3.59 1.78 -0.02 -1.26 -5.06 135.00 124.32 2hky n PRO 2 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2hky n PRO 2 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.99 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 -0.79 0.35 -0.09 -0.52 -2.85 -1.26 -4.89 119.74 109.68 2hky s LYS 3 Ca 0.00 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2hky s LYS 3 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2hky s LYS 3 CO 0.00 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2hky n GLY 4 N 3.98 0.43 2.39 0.59 0.00 -1.26 -4.88 105.19 106.44 2hky n GLY 4 Ca -0.16 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.97 0.85 -0.93 1.61 2.81 -1.26 -4.93 117.12 113.29 2hky n MET 5 Ca -0.01 -2.75 -0.35 0.00 -1.81 0.00 0.00 57.70 52.78 2hky n MET 5 Cb 0.15 -1.38 0.07 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.95 0.00 -0.08 2.03 -1.04 -1.26 -3.82 114.28 111.06 2hky n THR 6 Ca 0.17 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 2hky n THR 6 Cb 0.62 -0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.19 -1.58 0.03 8.00 0.87 -1.96 0.32 113.55 118.03 2hky h SER 7 Ca -0.44 0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2hky h SER 7 Cb 1.31 0.65 -0.01 0.00 -0.44 0.00 0.00 62.40 63.91 2hky h SER 7 CO 0.26 -0.42 -0.07 0.28 -0.53 0.00 0.00 176.83 176.35 2hky h SER 8 N -0.44 0.10 0.08 6.23 0.02 -1.84 -1.60 113.55 116.10 2hky h SER 8 Ca 0.09 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2hky h SER 8 Cb 0.62 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2hky h SER 8 CO -0.51 0.19 -0.04 1.56 -1.14 0.00 0.00 176.83 176.89 2hky h GLN 9 N 0.11 -0.10 -0.47 3.45 1.08 -0.80 0.24 115.11 118.61 2hky h GLN 9 Ca 0.03 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2hky h GLN 9 Cb 0.20 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2hky h GLN 9 CO 0.01 0.18 0.29 2.35 -0.95 0.00 0.00 178.83 180.71 2hky h TRP 10 N -0.38 0.61 0.00 2.96 -0.00 -0.27 -0.38 115.95 118.49 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 0.33 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.28 2hky h TRP 10 CO 0.02 0.40 -0.01 1.19 -0.00 0.00 0.00 178.44 180.03 2hky n PHE 11 N -4.45 0.25 0.03 2.65 3.01 -0.63 -2.05 117.46 116.28 2hky n PHE 11 Ca 0.04 0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.54 2hky n PHE 11 Cb 0.07 -0.62 -0.09 0.00 -0.01 0.00 0.00 39.48 38.83 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 0.12 0.42 116.57 121.12 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 0.57 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 2hky h LYS 12 CO 0.00 0.49 -0.25 -0.84 -2.09 0.00 0.00 179.45 176.76 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.36 0.23 117.51 119.52 2hky h ILE 13 Ca -0.16 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.32 2hky h ILE 13 Cb 1.72 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 2hky h ILE 13 CO 0.07 0.00 -1.17 0.00 -1.05 0.00 0.00 178.15 176.00 2hky n GLN 14 N -2.88 0.65 -0.67 0.16 10.64 -0.87 -4.67 117.38 119.74 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 -0.01 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 -1.65 0.00 -3.55 2.61 8.25 0.15 -4.65 115.22 116.38 2hky n HIS 15 Ca 0.02 -0.12 -0.36 0.00 -0.26 0.00 0.00 57.72 56.99 2hky n HIS 15 Cb 0.36 0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 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 4.23 -0.00 -0.41 0.23 0.79 -1.22 119.30 122.92 2hky s MET 16 Ca 0.04 0.04 0.13 0.00 -1.03 0.00 0.00 55.69 54.86 2hky s MET 16 Cb 0.04 -3.45 -0.14 0.00 -1.53 0.00 0.00 34.83 29.75 2hky s MET 16 CO -0.02 0.19 0.56 0.94 -2.03 0.00 0.00 175.02 174.66 2hky n GLN 17 N 3.75 2.59 -0.69 3.16 7.27 0.34 -4.22 117.38 129.57 2hky n GLN 17 Ca -0.12 -0.00 0.53 0.00 0.07 0.00 0.00 57.00 57.47 2hky n GLN 17 Cb 0.52 -1.13 0.82 0.00 2.41 0.00 0.00 30.24 32.86 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 -3.36 132.00 130.55 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 0.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2hky h PRO 18 CO 0.00 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.24 2hky n SER 19 N -3.98 0.00 -3.50 -2.05 2.88 -1.26 -5.07 113.62 100.64 2hky n SER 19 Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2hky n SER 19 Cb 1.99 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.45 2hky n SER 19 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hky n PRO 20 N 0.00 1.21 -2.80 -1.46 -0.04 -1.26 -4.95 135.00 125.69 2hky n PRO 20 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2hky n PRO 20 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2hky n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hky n GLN 21 N 0.00 3.69 -1.14 0.54 1.13 -1.26 -5.00 117.38 115.34 2hky n GLN 21 Ca 0.00 -4.75 0.00 0.00 -1.94 0.00 0.00 57.00 50.31 2hky n GLN 21 Cb 0.00 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.06 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 -0.24 -2.43 -0.38 -1.58 0.00 -1.26 -2.72 120.51 111.90 2hky n ALA 22 Ca 0.36 0.28 0.34 0.00 0.00 0.00 0.00 53.44 54.42 2hky n ALA 22 Cb 0.39 -1.07 0.68 0.00 0.00 0.00 0.00 19.45 19.45 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 0.12 -0.54 0.52 0.00 -0.73 -1.78 0.36 115.58 113.53 2hky h ASN 24 Ca 0.64 0.12 -0.29 0.00 1.87 0.00 0.00 56.30 58.64 2hky h ASN 24 Cb 2.24 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 41.11 2hky h ASN 24 CO -0.14 -0.20 -1.44 -1.28 -0.37 0.00 0.00 177.43 174.00 2hky h SER 25 N -0.13 0.37 -0.87 1.15 0.87 0.71 -2.55 113.55 113.09 2hky h SER 25 Ca 0.15 -0.47 0.10 0.00 -1.23 0.00 0.00 61.79 60.34 2hky h SER 25 Cb 0.36 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.12 2hky h SER 25 CO -0.37 1.39 0.51 0.00 -0.53 0.00 0.00 176.83 177.83 2hky h ALA 26 N 0.56 1.26 -0.05 6.23 0.00 0.64 0.26 119.26 128.17 2hky h ALA 26 Ca -0.21 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2hky h ALA 26 Cb 1.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2hky h ALA 26 CO 0.17 0.12 -0.70 1.98 0.00 0.00 0.00 179.25 180.82 2hky h MET 27 N 0.83 0.23 -0.81 0.00 1.85 -0.35 -2.94 114.93 113.75 2hky h MET 27 Ca 0.42 -0.19 0.21 0.00 -0.61 0.00 0.00 59.70 59.54 2hky h MET 27 Cb 0.41 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.43 2hky h MET 27 CO -0.26 0.84 0.57 0.87 -0.40 0.00 0.00 176.91 178.53 2hky h LYS 28 N 0.16 0.13 0.00 0.39 1.79 -0.04 1.36 116.57 120.36 2hky h LYS 28 Ca -0.02 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2hky h LYS 28 Cb 1.25 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2hky h LYS 28 CO 0.11 0.09 -0.18 -0.97 -1.08 0.00 0.00 179.45 177.41 2hky h ASN 29 N 0.14 0.00 0.15 0.86 -0.73 -1.27 -2.30 115.58 112.42 2hky h ASN 29 Ca 0.40 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.24 2hky h ASN 29 Cb 1.36 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.94 2hky h ASN 29 CO -0.06 0.18 -1.68 0.40 -0.37 0.00 0.00 177.43 175.90 2hky h ILE 30 N 0.00 0.90 0.00 2.57 2.04 0.15 -2.75 117.51 120.42 2hky h ILE 30 Ca -0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 64.86 63.38 2hky h ILE 30 Cb 0.88 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 2hky h ILE 30 CO 0.02 0.80 -0.24 0.78 0.00 0.00 0.00 178.15 179.52 2hky h ASN 31 N -0.07 0.00 0.68 1.72 2.35 -0.31 0.17 115.58 120.12 2hky h ASN 31 Ca -0.35 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.15 2hky h ASN 31 Cb 1.95 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.32 2hky h ASN 31 CO 0.11 0.24 -1.15 0.07 -1.65 0.00 0.00 177.43 175.04 2hky h LYS 32 N 0.00 0.22 -0.13 0.81 2.10 -1.51 0.56 116.57 118.62 2hky h LYS 32 Ca -0.00 -0.35 -0.19 0.00 -2.00 0.00 0.00 60.65 58.10 2hky h LYS 32 Cb 0.44 0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2hky h LYS 32 CO 0.03 1.15 -0.66 0.45 -2.00 0.00 0.00 179.45 178.42 2hky h HIS 33 N 0.07 0.92 -0.17 0.07 3.86 -1.04 -3.22 115.15 115.64 2hky h HIS 33 Ca -0.10 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2hky h HIS 33 Cb 1.87 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.20 2hky h HIS 33 CO 0.05 1.22 0.00 0.25 0.86 0.00 0.00 177.93 180.31 2hky n THR 34 N -4.07 0.20 -2.12 2.45 -2.24 0.54 -4.93 114.28 104.12 2hky n THR 34 Ca -0.08 -0.58 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 2hky n THR 34 Cb 0.69 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 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 1.30 -1.81 -3.53 -0.78 4.76 0.19 -4.90 118.16 113.39 2hky n LYS 35 Ca 0.16 0.80 -0.17 0.00 -2.87 0.00 0.00 58.31 56.24 2hky n LYS 35 Cb 0.58 -5.32 -0.06 0.00 -1.84 0.00 0.00 35.03 28.39 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 -4.50 1.01 -0.78 1.97 6.06 -0.71 -4.98 118.95 117.03 2hky s ARG 36 Ca 0.00 0.29 -0.21 0.00 -2.50 0.00 0.00 55.73 53.32 2hky s ARG 36 Cb 0.00 0.48 0.10 0.00 0.06 0.00 0.00 34.95 35.59 2hky s ARG 36 CO 0.00 -0.31 1.03 0.00 -2.50 0.00 0.00 175.30 173.52 2hky n LYS 38 N 7.18 0.01 0.00 0.00 4.76 -1.26 -4.61 118.16 124.23 2hky n LYS 38 Ca 0.09 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2hky n LYS 38 Cb 0.47 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 2hky n LYS 38 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2hky n ASP 39 N -1.25 0.00 -3.76 4.39 8.00 -1.26 -4.90 116.55 117.76 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 0.56 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.79 -0.22 0.64 1.98 -1.26 -0.39 118.68 120.22 2hky s LEU 40 Ca 0.00 0.63 -0.10 0.00 -2.89 0.00 0.00 54.13 51.78 2hky s LEU 40 Cb 0.00 1.08 0.08 0.00 0.66 0.00 0.00 46.19 48.01 2hky s LEU 40 CO 0.00 -0.11 0.49 0.20 -1.89 0.00 0.00 176.35 175.04 2hky s ASN 41 N 0.18 -0.57 0.12 3.68 -0.87 -1.05 -4.99 114.94 111.43 2hky s ASN 41 Ca -0.00 1.12 0.03 0.00 -1.57 0.00 0.00 52.86 52.44 2hky s ASN 41 Cb -0.02 1.29 -0.04 0.00 -0.02 0.00 0.00 41.25 42.46 2hky s ASN 41 CO 0.00 -0.22 0.20 0.42 -2.57 0.00 0.00 177.10 174.94 2hky s THR 42 N 2.09 5.04 0.09 1.60 -4.23 -1.26 -1.51 115.64 117.45 2hky s THR 42 Ca -0.06 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2hky s THR 42 Cb -0.10 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 2hky s THR 42 CO -0.15 -0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.48 2hky s PHE 43 N -1.63 0.99 0.15 3.99 0.40 0.80 -4.36 117.98 118.31 2hky s PHE 43 Ca 0.33 -0.68 0.11 0.00 -0.60 0.00 0.00 56.93 56.09 2hky s PHE 43 Cb -0.11 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 2hky s PHE 43 CO 0.26 -0.03 -0.24 -0.51 0.70 0.00 0.00 175.22 175.40 2hky s LEU 44 N -2.45 2.43 -0.87 -0.37 1.43 -0.35 0.10 118.68 118.59 2hky s LEU 44 Ca 0.05 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2hky s LEU 44 Cb -0.02 -1.27 0.28 0.00 0.03 0.00 0.00 46.19 45.22 2hky s LEU 44 CO -0.01 0.16 1.16 1.57 0.23 0.00 0.00 176.35 179.46 2hky n HIS 45 N 0.67 2.92 -3.70 0.29 -0.00 -0.76 0.13 115.22 114.76 2hky n HIS 45 Ca -0.16 -3.30 -0.11 0.00 0.46 0.00 0.00 57.72 54.61 2hky n HIS 45 Cb 0.54 -0.93 -0.11 0.00 -0.12 0.00 0.00 29.99 29.37 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 0.04 1.57 2.56 -1.26 -4.62 118.70 114.59 2hky s GLU 46 Ca 0.36 0.73 -0.36 0.00 0.00 0.00 0.00 54.97 55.70 2hky s GLU 46 Cb 0.10 -0.04 -0.15 0.00 2.00 0.00 0.00 34.13 36.05 2hky s GLU 46 CO 0.04 -0.16 1.56 -2.30 -0.56 0.00 0.00 175.26 173.83 2hky n PRO 47 N 4.31 1.66 0.31 4.30 -0.02 -1.26 -4.40 135.00 139.90 2hky n PRO 47 Ca -0.23 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 2hky n PRO 47 Cb 0.54 -2.33 0.14 0.00 -0.02 0.00 0.00 33.50 31.84 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 6.06 0.00 -0.02 6.00 0.04 -1.98 2.51 116.94 129.55 2hky h PHE 48 Ca -0.47 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.08 2hky h PHE 48 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 2hky h PHE 48 CO 0.67 0.00 -0.92 1.03 -0.60 0.00 0.00 178.31 178.49 2hky h SER 49 N 0.00 0.60 0.05 2.17 0.87 -1.97 0.43 113.55 115.70 2hky h SER 49 Ca 0.00 -0.46 -0.17 0.00 -1.23 0.00 0.00 61.79 59.92 2hky h SER 49 Cb 1.71 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 2hky h SER 49 CO 0.00 1.25 -0.90 -1.28 -0.53 0.00 0.00 176.83 175.37 2hky h SER 50 N 0.28 0.17 -0.66 6.23 0.87 0.39 -2.85 113.55 117.97 2hky h SER 50 Ca -0.08 -0.81 0.06 0.00 -1.23 0.00 0.00 61.79 59.73 2hky h SER 50 Cb 1.54 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 2hky h SER 50 CO 0.16 1.38 0.44 0.58 -0.53 0.00 0.00 176.83 178.86 2hky h VAL 51 N -0.71 1.02 -0.26 2.23 2.07 -0.98 0.28 116.25 119.90 2hky h VAL 51 Ca -0.21 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2hky h VAL 51 Cb 1.40 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2hky h VAL 51 CO -0.03 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.66 2hky h ALA 52 N 1.63 0.20 -0.13 1.67 0.00 -0.16 0.25 119.26 122.74 2hky h ALA 52 Ca 0.28 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2hky h ALA 52 Cb 0.23 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hky h ALA 52 CO -0.09 -0.44 -0.26 0.00 0.00 0.00 0.00 179.25 178.46 2hky h ALA 53 N 1.24 1.34 -0.87 0.00 0.00 -0.49 -2.51 119.26 117.97 2hky h ALA 53 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hky h ALA 53 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2hky h ALA 53 CO -0.24 0.46 0.55 1.15 0.00 0.00 0.00 179.25 181.17 2hky h THR 54 N 0.21 1.23 0.00 0.00 2.02 0.14 0.12 112.91 116.63 2hky h THR 54 Ca 0.03 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2hky h THR 54 Cb 0.57 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2hky h THR 54 CO 0.04 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.17 2hky n GLN 56 N 0.29 1.20 -1.54 0.00 7.27 0.41 -4.77 117.38 120.24 2hky n GLN 56 Ca 0.00 -0.05 -0.35 0.00 0.07 0.00 0.00 57.00 56.67 2hky n GLN 56 Cb 0.31 -1.23 0.08 0.00 2.41 0.00 0.00 30.24 31.81 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 -2.49 2.26 -0.19 1.69 -1.32 -1.07 -4.76 115.64 109.75 2hky s THR 57 Ca -0.04 0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.30 2hky s THR 57 Cb 0.05 -2.81 -0.12 0.00 -1.51 0.00 0.00 72.50 68.10 2hky s THR 57 CO 0.39 -0.06 0.86 -2.65 -2.21 0.00 0.00 174.62 170.95 2hky n PRO 58 N -2.45 0.00 0.00 7.08 -0.02 -1.26 -4.74 135.00 133.61 2hky n PRO 58 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2hky n PRO 58 Cb 0.50 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 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 1.89 0.85 -2.72 -0.52 -0.00 -1.26 -4.69 118.16 111.71 2hky n LYS 59 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.41 2hky n LYS 59 Cb -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.09 2hky n LYS 59 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2hky n ILE 60 N -0.76 0.00 -4.15 0.58 -5.35 -0.74 -4.88 119.36 104.05 2hky n ILE 60 Ca 0.00 -1.19 -0.30 0.00 -0.27 0.00 0.00 62.75 60.99 2hky n ILE 60 Cb 0.00 1.35 -0.09 0.00 -1.74 0.00 0.00 39.64 39.16 2hky n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hky n ALA 61 N 1.48 -1.73 0.00 -1.28 0.00 -1.26 -4.61 120.51 113.10 2hky n ALA 61 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2hky n ALA 61 Cb 0.66 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.43 0.00 -0.44 0.00 4.76 -1.26 -4.86 118.16 115.93 2hky n LYS 63 Ca 0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2hky n LYS 63 Cb 0.00 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 2hky n LYS 63 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2hky n ASN 64 N -1.83 0.00 0.00 4.39 5.15 -0.86 -4.88 115.26 117.23 2hky n ASN 64 Ca 0.00 -1.75 0.00 0.00 -0.60 0.00 0.00 54.58 52.23 2hky n ASN 64 Cb 0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.00 -0.22 0.24 8.20 0.00 -1.17 -4.99 105.19 107.25 2hky n GLY 65 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.73 -5.01 1.61 3.32 -1.90 -3.45 116.42 111.71 2hky h ASP 66 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 57.03 56.43 2hky h ASP 66 Cb 0.00 -0.21 0.13 0.00 0.22 0.00 0.00 39.33 39.48 2hky h ASP 66 CO 0.00 1.05 -0.62 0.29 -1.72 0.00 0.00 179.24 178.25 2hky n LYS 67 N -4.03 -5.76 0.00 3.56 5.02 -1.26 -4.67 118.16 111.01 2hky n LYS 67 Ca -0.02 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2hky n LYS 67 Cb 0.54 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 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 -2.62 0.50 -4.78 4.39 4.13 -1.26 -4.68 115.26 110.94 2hky n ASN 68 Ca -0.18 -1.00 -0.32 0.00 1.68 0.00 0.00 54.58 54.77 2hky n ASN 68 Cb 0.62 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.79 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 -1.25 -0.38 0.06 0.00 0.09 -1.01 -1.79 115.29 111.00 2hky s HIS 70 Ca 0.25 0.92 -0.06 0.00 -0.00 0.00 0.00 55.06 56.17 2hky s HIS 70 Cb -0.12 0.14 -0.05 0.00 -0.00 0.00 0.00 32.58 32.54 2hky s HIS 70 CO 0.16 -0.21 0.32 1.14 -0.00 0.00 0.00 174.74 176.15 2hky s GLN 71 N 0.06 3.61 0.00 1.40 -2.07 -1.25 -2.06 119.66 119.34 2hky s GLN 71 Ca -0.01 -0.07 0.00 0.00 -1.82 0.00 0.00 55.36 53.46 2hky s GLN 71 Cb -0.03 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 28.90 2hky s GLN 71 CO 0.01 0.58 0.10 0.45 -1.32 0.00 0.00 175.29 175.11 2hky n SER 72 N 0.71 0.00 -0.28 12.60 2.88 -0.89 -4.63 113.62 124.01 2hky n SER 72 Ca -0.08 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.45 2hky n SER 72 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2hky n SER 72 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2hky n HIS 73 N -0.51 -0.13 -3.61 0.66 -0.00 -1.26 -4.74 115.22 105.63 2hky n HIS 73 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 2hky n HIS 73 Cb 0.00 -1.30 -0.02 0.00 -0.12 0.00 0.00 29.99 28.56 2hky n HIS 73 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2hky s GLY 74 N -1.00 -0.37 -0.12 1.57 0.00 -1.26 -5.08 107.32 101.06 2hky s GLY 74 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 2hky s GLY 74 CO 0.00 0.20 1.43 2.56 0.00 0.00 0.00 173.10 177.30 2hky s PRO 75 N -3.15 4.20 -0.07 2.90 0.04 -1.26 -3.31 135.00 134.36 2hky s PRO 75 Ca 0.08 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2hky s PRO 75 Cb -0.01 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 2hky s PRO 75 CO -0.04 -0.77 -0.06 0.54 0.04 0.00 0.00 177.00 176.70 2hky s VAL 76 N 3.75 3.78 -1.00 -0.36 0.11 -0.68 -4.71 120.40 121.29 2hky s VAL 76 Ca 0.63 -0.47 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 2hky s VAL 76 Cb -0.27 -2.55 -0.14 0.00 -1.53 0.00 0.00 36.38 31.89 2hky s VAL 76 CO 0.21 0.59 2.11 -0.94 -3.33 0.00 0.00 175.10 173.74 2hky s SER 77 N -0.86 4.24 0.72 3.54 1.04 -1.26 -2.26 113.70 118.86 2hky s SER 77 Ca 0.13 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2hky s SER 77 Cb -0.11 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.57 2hky s SER 77 CO 0.02 -3.77 0.98 0.00 0.98 0.00 0.00 173.24 171.44 2hky n LEU 78 N 17.13 0.00 -3.55 2.42 -0.00 0.12 -1.83 117.00 131.29 2hky n LEU 78 Ca 0.43 -2.21 -0.23 0.00 -0.00 0.00 0.00 56.01 54.00 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 0.60 -0.95 -0.28 -0.89 -0.00 0.00 0.00 177.39 175.88 2hky s THR 79 N -3.05 -0.19 -0.48 1.47 2.01 0.12 -0.54 115.64 114.97 2hky s THR 79 Ca 0.66 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 2hky s THR 79 Cb -0.04 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2hky s THR 79 CO 0.44 -0.31 0.82 -0.04 -0.69 0.00 0.00 174.62 174.83 2hky s MET 80 N 2.22 3.36 0.13 4.92 -1.94 0.97 -0.14 119.30 128.82 2hky s MET 80 Ca 0.05 -0.21 -0.08 0.00 -1.71 0.00 0.00 55.69 53.74 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 -0.14 -1.23 0.42 0.00 -0.01 0.00 0.00 175.02 174.06 2hky s LYS 82 N -2.39 0.80 -0.42 0.00 -2.85 -1.05 -2.54 119.74 111.29 2hky s LYS 82 Ca 0.39 -1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 53.98 2hky s LYS 82 Cb -0.13 -0.50 0.01 0.00 -2.06 0.00 0.00 37.83 35.15 2hky s LYS 82 CO 0.21 0.08 1.43 -1.17 0.10 0.00 0.00 175.35 176.01 2hky s LEU 83 N -2.31 3.56 0.04 2.77 2.96 0.47 -2.34 118.68 123.83 2hky s LEU 83 Ca 0.03 0.80 -0.22 0.00 -0.22 0.00 0.00 54.13 54.52 2hky s LEU 83 Cb -0.04 -3.50 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 2hky s LEU 83 CO -0.00 -1.48 1.43 0.71 -1.32 0.00 0.00 176.35 175.69 2hky h THR 84 N 6.48 1.28 0.00 3.68 1.35 -0.84 -3.48 112.91 121.39 2hky h THR 84 Ca -0.28 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2hky h THR 84 Cb 1.11 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2hky h THR 84 CO 1.09 0.26 0.00 -1.54 -0.25 0.00 0.00 175.52 175.09 2hky n SER 85 N -4.77 0.00 0.00 5.36 3.41 -1.11 -4.98 113.62 111.52 2hky n SER 85 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2hky n SER 85 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.82 1.72 0.00 5.00 0.00 -1.26 -1.82 105.19 108.01 2hky n GLY 86 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.04 1.61 4.76 -1.26 -4.71 118.16 118.52 2hky n LYS 87 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 2hky n LYS 87 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2hky n LYS 87 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2hky n TYR 88 N 0.00 0.00 1.13 2.13 9.36 -1.26 -4.06 117.16 124.45 2hky n TYR 88 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2hky n TYR 88 Cb 0.00 -0.33 0.33 0.00 -0.63 0.00 0.00 39.34 38.71 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 -2.90 0.41 -1.38 2.98 -0.04 -1.26 -4.16 135.00 128.64 2hky n PRO 89 Ca -0.16 -0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.10 2hky n PRO 89 Cb 0.66 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.09 0.89 -4.70 3.54 5.15 -1.26 -5.08 115.26 112.71 2hky n ASN 90 Ca 0.09 -2.01 -0.41 0.00 -0.60 0.00 0.00 54.58 51.65 2hky n ASN 90 Cb 0.34 -0.29 -0.03 0.00 -0.53 0.00 0.00 39.78 39.26 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hky s ARG 92 N 1.50 2.81 0.32 0.00 1.70 -0.75 -4.92 118.95 119.60 2hky s ARG 92 Ca 0.44 -0.54 0.10 0.00 -0.47 0.00 0.00 55.73 55.27 2hky s ARG 92 Cb -0.18 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.48 2hky s ARG 92 CO 0.19 0.66 -0.05 0.71 -1.08 0.00 0.00 175.30 175.73 2hky s TYR 93 N -0.92 2.49 -0.05 5.89 1.51 -1.26 -0.12 117.35 124.89 2hky s TYR 93 Ca 0.15 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2hky s TYR 93 Cb -0.11 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2hky s TYR 93 CO 0.04 0.56 -0.24 0.15 -1.11 0.00 0.00 175.55 174.96 2hky s LYS 94 N -3.65 2.38 -0.18 -0.62 -0.14 -0.99 -3.96 119.74 112.58 2hky s LYS 94 Ca 0.33 -0.87 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2hky s LYS 94 Cb -0.01 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 34.04 2hky s LYS 94 CO 0.18 0.39 0.49 -1.83 -0.76 0.00 0.00 175.35 173.82 2hky s GLU 95 N -0.21 4.22 -0.34 1.68 -1.05 -1.26 -2.52 118.70 119.22 2hky s GLU 95 Ca -0.02 0.39 -0.04 0.00 -0.15 0.00 0.00 54.97 55.15 2hky s GLU 95 Cb -0.13 -3.53 0.06 0.00 -0.44 0.00 0.00 34.13 30.09 2hky s GLU 95 CO 0.03 -0.06 0.09 0.21 0.95 0.00 0.00 175.26 176.48 2hky s LYS 96 N 1.36 2.43 -0.42 -4.83 2.20 -0.88 -4.97 119.74 114.63 2hky s LYS 96 Ca 0.24 -1.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 2hky s LYS 96 Cb -0.15 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2hky s LYS 96 CO 0.09 -0.74 1.36 0.50 -0.36 0.00 0.00 175.35 176.20 2hky s ARG 97 N 1.30 3.62 0.37 4.03 3.52 -1.26 -0.02 118.95 130.51 2hky s ARG 97 Ca -0.01 0.90 0.07 0.00 -0.13 0.00 0.00 55.73 56.56 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 -1.51 -0.02 -0.65 -0.81 0.00 0.00 175.30 172.31 2hky s GLN 98 N 4.81 1.85 -0.23 5.12 -1.52 0.30 -4.96 119.66 125.04 2hky s GLN 98 Ca 0.59 -2.01 -0.01 0.00 -1.95 0.00 0.00 55.36 51.97 2hky s GLN 98 Cb -0.13 -1.53 0.06 0.00 -0.22 0.00 0.00 33.01 31.20 2hky s GLN 98 CO 0.32 -0.01 0.00 -0.80 -0.25 0.00 0.00 175.29 174.55 2hky s ASN 99 N -3.64 3.49 0.11 5.90 -0.87 -1.26 0.13 114.94 118.80 2hky s ASN 99 Ca 0.34 -1.09 -0.21 0.00 -1.57 0.00 0.00 52.86 50.32 2hky s ASN 99 Cb 0.07 -0.91 0.06 0.00 -0.02 0.00 0.00 41.25 40.45 2hky s ASN 99 CO 0.17 -0.29 0.53 -0.54 -2.57 0.00 0.00 177.10 174.40 2hky s LYS 100 N 1.61 1.15 -0.33 -0.60 1.02 -0.96 -4.73 119.74 116.90 2hky s LYS 100 Ca -0.02 -0.44 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 2hky s LYS 100 Cb -0.18 0.52 0.01 0.00 -0.52 0.00 0.00 37.83 37.67 2hky s LYS 100 CO -0.09 -0.46 0.97 -1.12 -0.92 0.00 0.00 175.35 173.73 2hky s SER 101 N -2.48 6.81 0.11 2.83 0.01 -1.21 -1.68 113.70 118.09 2hky s SER 101 Ca -0.01 0.86 0.02 0.00 1.31 0.00 0.00 55.95 58.13 2hky s SER 101 Cb -0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2hky s SER 101 CO -0.09 -0.81 0.15 0.00 0.41 0.00 0.00 173.24 172.90 2hky n TYR 102 N 6.68 -2.70 -3.76 2.43 0.18 -1.26 0.02 117.16 118.74 2hky n TYR 102 Ca 0.09 -0.41 -0.26 0.00 1.88 0.00 0.00 57.90 59.20 2hky n TYR 102 Cb 0.48 -0.10 -0.17 0.00 -0.38 0.00 0.00 39.34 39.16 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 0.22 0.52 0.06 -3.48 1.01 0.88 -2.09 120.40 117.52 2hky s VAL 103 Ca 0.11 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2hky s VAL 103 Cb -0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2hky s VAL 103 CO 0.07 -0.02 -0.08 0.54 0.00 0.00 0.00 175.10 175.61 2hky s VAL 104 N 1.88 3.48 0.48 2.92 0.11 -0.87 0.30 120.40 128.70 2hky s VAL 104 Ca 0.01 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 2hky s VAL 104 Cb -0.15 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 2hky s VAL 104 CO -0.07 0.23 0.70 0.00 -3.33 0.00 0.00 175.10 172.63 2hky s ALA 105 N -1.12 3.83 0.16 1.54 0.00 0.99 -2.41 121.76 124.74 2hky s ALA 105 Ca 0.20 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.06 2hky s ALA 105 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2hky s ALA 105 CO 0.11 -0.48 -0.13 0.00 0.00 0.00 0.00 175.76 175.26 2hky s LYS 107 N -3.32 0.94 0.24 0.00 1.02 -0.75 -4.86 119.74 113.01 2hky s LYS 107 Ca 0.16 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 2hky s LYS 107 Cb -0.01 0.40 -0.10 0.00 -0.52 0.00 0.00 37.83 37.59 2hky s LYS 107 CO 0.04 -0.33 1.44 -1.25 -0.92 0.00 0.00 175.35 174.33 2hky s PRO 108 N -3.77 4.27 -0.63 -1.68 0.04 -1.26 -0.40 135.00 131.57 2hky s PRO 108 Ca 0.04 2.29 -0.32 0.00 0.04 0.00 0.00 61.00 63.05 2hky s PRO 108 Cb 0.03 -3.12 -0.15 0.00 0.04 0.00 0.00 34.50 31.31 2hky s PRO 108 CO -0.11 -0.43 2.43 -2.30 0.04 0.00 0.00 177.00 176.63 2hky n PRO 109 N 2.50 0.59 0.00 0.56 -0.02 -1.26 -4.86 135.00 132.51 2hky n PRO 109 Ca 0.07 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2hky n PRO 109 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 8.46 0.00 0.00 -0.52 1.13 -1.26 -4.67 117.38 120.52 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 0.22 -0.04 0.00 0.00 0.11 0.00 0.00 30.24 30.53 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 3.38 0.07 -1.09 2.85 -1.26 -4.71 118.16 117.39 2hky n LYS 111 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 2hky n LYS 111 Cb 0.00 -0.69 -0.10 0.00 -0.65 0.00 0.00 35.03 33.59 2hky n LYS 111 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2hky h LYS 112 N 0.00 0.00 0.00 -1.58 3.11 -1.94 -3.48 116.57 112.67 2hky h LYS 112 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hky h LYS 112 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2hky h LYS 112 CO 0.00 0.95 0.00 -0.40 -2.81 0.00 0.00 179.45 177.19 2hky n ASP 113 N -3.35 0.00 0.33 4.20 5.75 -1.26 -4.60 116.55 117.62 2hky n ASP 113 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 54.98 2hky n ASP 113 Cb 0.92 0.00 1.05 0.00 -1.03 0.00 0.00 41.12 42.05 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 1.69 0.00 0.00 -1.12 0.02 -1.98 -3.40 113.55 108.75 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 -3.05 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 122.11 2hky n GLN 115 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2hky n GLN 115 Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.58 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 -2.49 0.00 0.00 2.61 10.64 -1.26 -5.06 117.38 121.82 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 -4.85 115.22 110.49 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 -3.66 0.27 -0.00 -1.17 -4.56 117.00 107.87 2hky n LEU 119 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 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 -0.76 1.33 -0.00 0.00 0.00 177.39 177.96 2hky n VAL 120 N 0.00 0.00 -2.42 1.47 0.24 0.47 -3.84 118.33 114.25 2hky n VAL 120 Ca 0.00 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 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 -1.17 3.17 0.00 7.34 0.04 -1.26 -1.80 135.00 141.32 2hky s PRO 121 Ca 0.45 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2hky s PRO 121 Cb -0.35 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.49 2hky s PRO 121 CO 0.63 -2.40 0.00 1.55 0.04 0.00 0.00 177.00 176.82 2hky n VAL 122 N 6.84 0.00 -2.59 -0.36 3.14 -0.77 -4.06 118.33 120.54 2hky n VAL 122 Ca 0.20 0.01 -0.22 0.00 -2.96 0.00 0.00 64.34 61.36 2hky n VAL 122 Cb 0.50 -0.63 0.06 0.00 -1.06 0.00 0.00 33.84 32.71 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 -0.01 2.43 -0.25 1.45 5.65 -1.22 -4.61 115.29 118.74 2hky s HIS 123 Ca 0.00 -0.07 0.02 0.00 0.25 0.00 0.00 55.06 55.26 2hky s HIS 123 Cb 0.00 -2.86 0.06 0.00 -1.18 0.00 0.00 32.58 28.60 2hky s HIS 123 CO 0.00 -1.20 -0.09 -1.17 -0.65 0.00 0.00 174.74 171.64 2hky s LEU 124 N -4.93 3.03 -0.04 8.88 1.98 -1.26 -0.01 118.68 126.34 2hky s LEU 124 Ca 0.61 -1.28 -0.21 0.00 -2.89 0.00 0.00 54.13 50.36 2hky s LEU 124 Cb -0.09 -1.39 -0.14 0.00 0.66 0.00 0.00 46.19 45.23 2hky s LEU 124 CO 0.41 -0.20 0.90 -0.78 -1.89 0.00 0.00 176.35 174.79 2hky h ASP 125 N 7.86 -0.28 -5.07 3.68 3.58 0.44 -3.47 116.42 123.16 2hky h ASP 125 Ca -0.19 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2hky h ASP 125 Cb 1.06 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2hky h ASP 125 CO 0.44 0.21 0.33 0.00 -2.88 0.00 0.00 179.24 177.34 2hky s ARG 126 N -3.67 2.13 -0.10 0.28 1.70 -0.91 -4.96 118.95 113.42 2hky s ARG 126 Ca -0.12 -1.39 0.04 0.00 -0.47 0.00 0.00 55.73 53.79 2hky s ARG 126 Cb 0.01 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 2hky s ARG 126 CO 0.44 -1.00 -0.24 0.08 -1.08 0.00 0.00 175.30 173.50 2hky s VAL 127 N -2.11 2.05 0.00 4.99 1.01 -1.26 -0.08 120.40 124.99 2hky s VAL 127 Ca 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2hky s VAL 127 Cb -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2hky s VAL 127 CO 0.11 0.56 0.42 -0.11 0.00 0.00 0.00 175.10 176.07