#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 0.35 0.35 3.17 3.01 -1.26 -5.15 119.74 120.20 2hky s LYS 1 Ca 0.00 -0.66 -0.03 0.00 -1.01 0.00 0.00 55.97 54.27 2hky s LYS 1 Cb 0.00 0.08 0.05 0.00 -1.01 0.00 0.00 37.83 36.95 2hky s LYS 1 CO 0.00 -0.05 0.10 -2.30 0.51 0.00 0.00 175.35 173.62 2hky n PRO 2 N 1.49 0.60 -3.61 -1.68 -0.02 -1.26 -5.05 135.00 125.47 2hky n PRO 2 Ca -0.23 -0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.05 2hky n PRO 2 Cb 0.55 -0.56 -0.06 0.00 -0.02 0.00 0.00 33.50 33.41 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 -1.71 0.46 -0.07 -0.52 -2.85 -1.26 -4.88 119.74 108.91 2hky s LYS 3 Ca 0.08 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 2hky s LYS 3 Cb -0.01 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 2hky s LYS 3 CO 0.07 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.82 2hky n GLY 4 N 4.18 0.40 2.36 0.59 0.00 -1.26 -4.88 105.19 106.58 2hky n GLY 4 Ca -0.17 -0.08 -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 -1.82 0.85 -0.87 1.61 2.81 -1.26 -4.95 117.12 113.48 2hky n MET 5 Ca -0.01 -2.84 -0.35 0.00 -1.81 0.00 0.00 57.70 52.70 2hky n MET 5 Cb 0.17 -1.39 0.09 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.94 0.00 0.01 2.03 -1.04 -1.26 -3.95 114.28 111.00 2hky n THR 6 Ca 0.18 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.05 61.76 2hky n THR 6 Cb 0.61 -0.32 -0.08 0.00 -1.82 0.00 0.00 70.33 68.72 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 -1.37 -1.52 -0.34 8.00 0.02 -1.96 0.32 113.55 116.70 2hky h SER 7 Ca -0.45 0.19 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2hky h SER 7 Cb 1.31 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 64.44 2hky h SER 7 CO 0.29 -0.47 0.23 0.28 -1.14 0.00 0.00 176.83 176.03 2hky h SER 8 N -0.56 0.20 0.14 3.07 0.02 -1.84 -0.74 113.55 113.84 2hky h SER 8 Ca 0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2hky h SER 8 Cb 0.67 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2hky h SER 8 CO -0.41 0.13 -0.07 1.56 -1.14 0.00 0.00 176.83 176.91 2hky h GLN 9 N 0.23 -0.18 -0.47 3.45 1.08 -0.81 0.22 115.11 118.63 2hky h GLN 9 Ca 0.15 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.42 2hky h GLN 9 Cb 0.31 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2hky h GLN 9 CO -0.03 0.12 0.31 2.35 -0.95 0.00 0.00 178.83 180.63 2hky h TRP 10 N -0.48 0.38 0.00 2.96 -0.00 0.13 0.63 115.95 119.58 2hky h TRP 10 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 2hky h TRP 10 Cb 0.38 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.41 2hky h TRP 10 CO 0.02 0.21 -0.11 1.19 -0.00 0.00 0.00 178.44 179.75 2hky n PHE 11 N -4.47 0.69 0.10 2.65 3.01 -0.35 -2.25 117.46 116.83 2hky n PHE 11 Ca 0.06 0.20 0.05 0.00 1.01 0.00 0.00 57.45 58.77 2hky n PHE 11 Cb 0.26 -0.80 -0.01 0.00 -0.01 0.00 0.00 39.48 38.92 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 0.18 0.45 116.57 121.20 2hky h LYS 12 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.64 2hky h LYS 12 Cb 0.69 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.01 2hky h LYS 12 CO 0.00 0.21 -0.75 0.82 -2.09 0.00 0.00 179.45 177.64 2hky h ILE 13 N 0.00 0.58 0.00 0.07 2.04 -1.39 0.13 117.51 118.94 2hky h ILE 13 Ca -0.06 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2hky h ILE 13 Cb 1.31 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2hky h ILE 13 CO 0.03 0.33 -1.10 1.67 0.00 0.00 0.00 178.15 179.08 2hky n GLN 14 N -3.06 0.15 -0.75 2.37 7.27 -0.95 -4.64 117.38 117.76 2hky n GLN 14 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 57.00 57.02 2hky n GLN 14 Cb 0.72 -1.52 -0.01 0.00 2.41 0.00 0.00 30.24 31.84 2hky n GLN 14 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2hky n HIS 15 N -1.69 0.00 -3.57 3.69 8.25 0.16 -4.69 115.22 117.37 2hky n HIS 15 Ca 0.03 -0.18 -0.36 0.00 -0.26 0.00 0.00 57.72 56.94 2hky n HIS 15 Cb 0.38 0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 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 4.19 -0.00 -0.41 0.23 0.47 -1.51 119.30 122.27 2hky s MET 16 Ca 0.04 -0.01 0.14 0.00 -1.03 0.00 0.00 55.69 54.83 2hky s MET 16 Cb 0.05 -3.47 -0.16 0.00 -1.53 0.00 0.00 34.83 29.72 2hky s MET 16 CO -0.02 0.16 0.56 0.94 -2.03 0.00 0.00 175.02 174.62 2hky n GLN 17 N 3.90 2.06 -0.44 3.16 7.27 0.26 -4.20 117.38 129.39 2hky n GLN 17 Ca -0.12 -0.02 0.40 0.00 0.07 0.00 0.00 57.00 57.33 2hky n GLN 17 Cb 0.52 -1.19 0.67 0.00 2.41 0.00 0.00 30.24 32.64 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 -1.88 -3.37 132.00 130.55 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 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 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 -3.68 0.00 -2.90 -2.05 7.64 -1.26 -5.07 113.62 106.30 2hky n SER 19 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2hky n SER 19 Cb 1.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 2hky n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2hky n PRO 20 N 0.00 0.88 -2.56 1.43 -0.04 -1.26 -4.97 135.00 128.49 2hky n PRO 20 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2hky n PRO 20 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.12 3.95 -1.20 0.54 6.02 -1.26 -4.98 117.38 120.33 2hky n GLN 21 Ca 0.00 -4.47 0.00 0.00 -0.01 0.00 0.00 57.00 52.52 2hky n GLN 21 Cb 0.00 -2.33 0.00 0.00 1.02 0.00 0.00 30.24 28.93 2hky n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hky n ALA 22 N -0.28 -2.41 -0.35 -1.58 0.00 -1.26 -2.76 120.51 111.87 2hky n ALA 22 Ca 0.42 0.30 0.35 0.00 0.00 0.00 0.00 53.44 54.51 2hky n ALA 22 Cb 0.36 -1.09 0.72 0.00 0.00 0.00 0.00 19.45 19.44 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 0.05 -0.68 0.69 0.00 4.21 -1.78 0.49 115.58 118.57 2hky h ASN 24 Ca 0.60 0.11 -0.26 0.00 1.21 0.00 0.00 56.30 57.96 2hky h ASN 24 Cb 2.29 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 39.78 2hky h ASN 24 CO -0.06 -0.27 -1.26 -1.28 -1.29 0.00 0.00 177.43 173.27 2hky h SER 25 N -0.29 0.27 -0.80 5.81 0.87 0.39 -2.39 113.55 117.41 2hky h SER 25 Ca 0.10 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2hky h SER 25 Cb 0.43 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2hky h SER 25 CO -0.28 1.25 0.53 0.00 -0.53 0.00 0.00 176.83 177.80 2hky h ALA 26 N 0.71 1.48 0.00 6.23 0.00 0.48 0.12 119.26 128.27 2hky h ALA 26 Ca -0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2hky h ALA 26 Cb 1.93 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2hky h ALA 26 CO 0.17 0.46 -0.61 1.98 0.00 0.00 0.00 179.25 181.24 2hky h MET 27 N 1.03 0.00 -0.29 0.00 -1.53 -0.04 -3.12 114.93 110.97 2hky h MET 27 Ca 0.31 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.57 2hky h MET 27 Cb -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 2hky h MET 27 CO -0.08 0.61 0.16 0.87 0.14 0.00 0.00 176.91 178.61 2hky h LYS 28 N 0.00 0.39 -0.12 0.39 1.79 -0.23 -0.54 116.57 118.25 2hky h LYS 28 Ca -0.01 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 2hky h LYS 28 Cb 1.34 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2hky h LYS 28 CO 0.08 0.29 -0.43 -0.97 -1.08 0.00 0.00 179.45 177.33 2hky h ASN 29 N 0.40 0.29 0.68 0.86 -0.73 -1.39 -2.38 115.58 113.31 2hky h ASN 29 Ca 0.11 -0.13 -0.15 0.00 1.87 0.00 0.00 56.30 58.00 2hky h ASN 29 Cb 0.01 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 2hky h ASN 29 CO -0.02 0.69 -0.71 0.40 -0.37 0.00 0.00 177.43 177.42 2hky h ILE 30 N 0.23 1.50 0.00 2.57 2.04 -1.25 -2.68 117.51 119.92 2hky h ILE 30 Ca 0.02 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2hky h ILE 30 Cb 0.86 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2hky h ILE 30 CO 0.07 0.69 0.00 -0.55 0.00 0.00 0.00 178.15 178.36 2hky h ASN 31 N 0.02 0.00 0.46 1.72 -1.07 -0.85 0.09 115.58 115.95 2hky h ASN 31 Ca -0.01 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.06 2hky h ASN 31 Cb 1.26 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.51 2hky h ASN 31 CO 0.10 0.00 -1.49 0.07 0.07 0.00 0.00 177.43 176.17 2hky h LYS 32 N 0.00 0.27 0.00 4.14 5.09 -1.11 -0.72 116.57 124.25 2hky h LYS 32 Ca 0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 60.65 60.23 2hky h LYS 32 Cb 0.66 0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.15 2hky h LYS 32 CO 0.00 1.16 -1.01 1.12 -2.09 0.00 0.00 179.45 178.63 2hky h HIS 33 N 0.07 0.00 -0.00 0.07 2.07 -1.41 -3.33 115.15 112.63 2hky h HIS 33 Ca -0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 2hky h HIS 33 Cb 2.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.00 2hky h HIS 33 CO 0.07 0.16 -0.79 0.25 -3.07 0.00 0.00 177.93 174.55 2hky n THR 34 N -2.78 0.00 -2.10 6.12 -2.24 0.01 -4.95 114.28 108.34 2hky n THR 34 Ca -0.02 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 2hky n THR 34 Cb 0.63 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.03 -1.72 -3.55 -0.78 4.76 -0.29 -4.90 118.16 110.65 2hky n LYS 35 Ca 0.05 0.92 -0.13 0.00 -2.87 0.00 0.00 58.31 56.28 2hky n LYS 35 Cb 0.35 -5.45 -0.05 0.00 -1.84 0.00 0.00 35.03 28.04 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 -4.49 0.77 -0.85 1.97 6.06 -1.16 -5.01 118.95 116.24 2hky s ARG 36 Ca 0.00 0.18 -0.18 0.00 -2.50 0.00 0.00 55.73 53.22 2hky s ARG 36 Cb 0.00 0.36 0.14 0.00 0.06 0.00 0.00 34.95 35.51 2hky s ARG 36 CO 0.00 -0.24 1.01 0.00 -2.50 0.00 0.00 175.30 173.57 2hky n LYS 38 N 6.24 0.01 0.00 0.00 4.76 -1.26 -4.58 118.16 123.33 2hky n LYS 38 Ca 0.16 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2hky n LYS 38 Cb 0.48 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 2hky n LYS 38 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hky n ASP 39 N -1.65 0.00 -3.77 4.39 -0.08 -1.26 -4.92 116.55 109.26 2hky n ASP 39 Ca 0.05 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.20 2hky n ASP 39 Cb 0.45 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.80 2hky n ASP 39 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2hky s LEU 40 N 0.00 0.80 -0.19 -2.67 1.98 -1.26 -0.38 118.68 116.95 2hky s LEU 40 Ca 0.00 0.63 -0.08 0.00 -2.89 0.00 0.00 54.13 51.79 2hky s LEU 40 Cb 0.00 1.07 0.08 0.00 0.66 0.00 0.00 46.19 48.00 2hky s LEU 40 CO 0.00 -0.11 0.42 0.20 -1.89 0.00 0.00 176.35 174.97 2hky s ASN 41 N 0.19 -0.32 0.11 3.68 -0.87 -0.93 -4.96 114.94 111.84 2hky s ASN 41 Ca -0.00 0.96 0.03 0.00 -1.57 0.00 0.00 52.86 52.28 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 -0.22 0.18 0.42 -2.57 0.00 0.00 177.10 174.91 2hky s THR 42 N 2.27 4.93 0.09 1.60 -4.23 -1.26 -1.17 115.64 117.87 2hky s THR 42 Ca -0.04 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 2hky s THR 42 Cb -0.11 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2hky s THR 42 CO -0.13 0.01 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.53 2hky s PHE 43 N -1.60 0.86 0.16 3.99 0.40 0.78 -4.41 117.98 118.15 2hky s PHE 43 Ca 0.32 -0.81 0.11 0.00 -0.60 0.00 0.00 56.93 55.96 2hky s PHE 43 Cb -0.12 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.88 2hky s PHE 43 CO 0.25 -0.12 -0.24 -0.51 0.70 0.00 0.00 175.22 175.30 2hky s LEU 44 N -2.69 2.43 -0.84 -0.37 1.43 -0.57 0.02 118.68 118.09 2hky s LEU 44 Ca 0.07 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2hky s LEU 44 Cb 0.01 -1.25 0.28 0.00 0.03 0.00 0.00 46.19 45.27 2hky s LEU 44 CO -0.03 0.15 1.13 1.57 0.23 0.00 0.00 176.35 179.40 2hky n HIS 45 N 0.59 3.02 -3.72 0.29 -0.00 -0.73 0.92 115.22 115.59 2hky n HIS 45 Ca -0.15 -3.39 -0.12 0.00 0.46 0.00 0.00 57.72 54.52 2hky n HIS 45 Cb 0.54 -0.88 -0.12 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 -2.76 0.33 0.11 1.57 2.56 -1.26 -4.63 118.70 114.62 2hky s GLU 46 Ca 0.37 0.64 -0.34 0.00 0.00 0.00 0.00 54.97 55.63 2hky s GLU 46 Cb 0.12 -0.01 -0.13 0.00 2.00 0.00 0.00 34.13 36.10 2hky s GLU 46 CO 0.03 -0.14 1.65 -0.35 -0.56 0.00 0.00 175.26 175.89 2hky n PRO 47 N 3.97 2.17 0.31 4.30 -0.04 -1.26 -4.44 135.00 140.01 2hky n PRO 47 Ca -0.22 0.79 0.01 0.00 -0.04 0.00 0.00 63.50 64.04 2hky n PRO 47 Cb 0.55 -2.57 0.05 0.00 -0.04 0.00 0.00 33.50 31.49 2hky n PRO 47 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2hky h PHE 48 N 6.66 0.00 -0.03 0.54 0.04 -1.99 2.63 116.94 124.78 2hky h PHE 48 Ca -0.46 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.09 2hky h PHE 48 Cb 1.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.41 2hky h PHE 48 CO 0.68 0.00 -0.90 0.77 -0.60 0.00 0.00 178.31 178.26 2hky h SER 49 N 0.00 0.66 0.17 2.17 0.02 -1.97 0.42 113.55 115.01 2hky h SER 49 Ca 0.00 -0.50 -0.35 0.00 -0.84 0.00 0.00 61.79 60.11 2hky h SER 49 Cb 1.86 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2hky h SER 49 CO 0.00 1.29 -1.76 0.28 -1.14 0.00 0.00 176.83 175.49 2hky h SER 50 N 0.32 0.56 0.05 3.07 0.02 0.42 -2.87 113.55 115.11 2hky h SER 50 Ca -0.08 -0.93 -0.06 0.00 -0.84 0.00 0.00 61.79 59.88 2hky h SER 50 Cb 1.53 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2hky h SER 50 CO 0.16 1.79 -0.16 0.58 -1.14 0.00 0.00 176.83 178.06 2hky h VAL 51 N 0.05 1.19 0.49 2.27 2.07 -1.05 0.38 116.25 121.66 2hky h VAL 51 Ca -0.36 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2hky h VAL 51 Cb 2.05 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2hky h VAL 51 CO 0.15 0.27 -0.28 0.00 0.02 0.00 0.00 177.57 177.73 2hky h ALA 52 N 1.62 -0.73 -0.18 1.67 0.00 -0.19 0.15 119.26 121.60 2hky h ALA 52 Ca 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2hky h ALA 52 Cb 0.43 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2hky h ALA 52 CO 0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 179.25 178.25 2hky h ALA 53 N -0.25 1.49 -0.46 0.00 0.00 -1.20 -0.79 119.26 118.05 2hky h ALA 53 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hky h ALA 53 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hky h ALA 53 CO 0.07 0.36 0.30 1.15 0.00 0.00 0.00 179.25 181.13 2hky h THR 54 N 0.27 1.12 0.00 0.00 2.02 0.73 0.17 112.91 117.22 2hky h THR 54 Ca 0.06 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2hky h THR 54 Cb 0.36 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2hky h THR 54 CO 0.02 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2hky n GLN 56 N 0.32 6.62 -1.57 0.00 7.27 0.61 -4.74 117.38 125.89 2hky n GLN 56 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 2hky n GLN 56 Cb 0.39 -0.50 0.06 0.00 2.41 0.00 0.00 30.24 32.60 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 -0.99 3.67 -0.36 1.69 -1.32 -1.11 -4.82 115.64 112.40 2hky s THR 57 Ca 0.00 0.61 -0.32 0.00 -1.21 0.00 0.00 61.69 60.76 2hky s THR 57 Cb 0.00 -3.20 -0.14 0.00 -1.51 0.00 0.00 72.50 67.65 2hky s THR 57 CO 0.00 -0.65 1.37 -2.65 -2.21 0.00 0.00 174.62 170.48 2hky n PRO 58 N -3.00 0.00 0.00 7.08 -0.02 -1.26 -4.75 135.00 133.05 2hky n PRO 58 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2hky n PRO 58 Cb 0.53 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 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 4.32 1.06 -3.63 -0.52 0.00 -1.26 -4.49 118.16 113.65 2hky n LYS 59 Ca 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.47 2hky n LYS 59 Cb -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.92 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 0.00 0.02 -0.68 0.58 -4.36 -1.23 -4.96 121.20 110.58 2hky s ILE 60 Ca 0.00 -0.20 -0.15 0.00 -0.26 0.00 0.00 60.65 60.05 2hky s ILE 60 Cb 0.00 -0.82 -0.17 0.00 1.25 0.00 0.00 42.46 42.72 2hky s ILE 60 CO 0.00 -0.11 1.84 0.00 0.24 0.00 0.00 174.94 176.92 2hky n ALA 61 N 1.20 0.52 -1.00 2.27 0.00 -1.26 -3.10 120.51 119.14 2hky n ALA 61 Ca -0.20 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.87 2hky n ALA 61 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 0.00 0.00 -1.04 0.00 5.02 -1.26 -4.66 118.16 116.22 2hky n LYS 63 Ca 0.00 0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 2hky n LYS 63 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2hky n LYS 63 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hky n ASN 64 N -1.21 -0.17 0.00 4.39 3.02 -1.26 -4.89 115.26 115.14 2hky n ASN 64 Ca 0.00 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2hky n ASN 64 Cb 0.00 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.15 -0.69 0.20 7.41 0.00 -1.26 -5.02 105.19 105.98 2hky n GLY 65 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.64 -4.61 1.61 5.19 -1.85 -3.46 116.42 113.94 2hky h ASP 66 Ca 0.00 -0.33 -0.26 0.00 -0.62 0.00 0.00 57.03 55.81 2hky h ASP 66 Cb 0.00 -0.17 0.12 0.00 0.18 0.00 0.00 39.33 39.45 2hky h ASP 66 CO 0.00 0.82 -0.54 0.29 -3.12 0.00 0.00 179.24 176.69 2hky n LYS 67 N -4.46 -5.24 -0.01 3.56 5.02 -1.18 -4.78 118.16 111.06 2hky n LYS 67 Ca -0.02 0.61 0.01 0.00 -2.02 0.00 0.00 58.31 56.89 2hky n LYS 67 Cb 0.30 -4.96 0.01 0.00 -0.02 0.00 0.00 35.03 30.36 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 -2.25 1.85 -4.97 4.39 4.13 -1.25 -4.66 115.26 112.50 2hky n ASN 68 Ca -0.12 -1.76 -0.20 0.00 1.68 0.00 0.00 54.58 54.18 2hky n ASN 68 Cb 0.59 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.80 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 -2.16 -0.66 -0.18 0.00 3.76 0.21 -3.47 115.29 112.79 2hky s HIS 70 Ca 0.43 1.28 -0.15 0.00 -0.15 0.00 0.00 55.06 56.47 2hky s HIS 70 Cb -0.09 0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 2hky s HIS 70 CO 0.30 -0.45 0.34 -1.14 -0.85 0.00 0.00 174.74 172.94 2hky s GLN 71 N 2.54 4.21 0.43 1.40 0.74 -1.25 -0.51 119.66 127.22 2hky s GLN 71 Ca 0.00 0.13 -0.22 0.00 0.05 0.00 0.00 55.36 55.32 2hky s GLN 71 Cb -0.12 -3.48 -0.12 0.00 1.10 0.00 0.00 33.01 30.39 2hky s GLN 71 CO -0.11 0.10 0.58 0.43 -0.55 0.00 0.00 175.29 175.74 2hky n SER 72 N 4.01 -0.73 -0.77 6.67 7.64 0.37 -4.76 113.62 126.06 2hky n SER 72 Ca -0.10 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2hky n SER 72 Cb 0.52 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 -0.91 0.00 -1.61 1.43 8.25 -1.26 -4.76 115.22 116.36 2hky n HIS 73 Ca 0.11 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2hky n HIS 73 Cb 0.40 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.29 -1.66 3.67 -1.41 0.00 -1.26 -5.12 105.19 99.71 2hky n GLY 74 Ca 0.00 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.50 4.30 -0.07 1.61 0.04 -1.26 -3.15 135.00 134.96 2hky s PRO 75 Ca 0.00 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 2hky s PRO 75 Cb 0.00 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 2hky s PRO 75 CO 0.00 -0.56 -0.01 0.54 0.04 0.00 0.00 177.00 177.01 2hky s VAL 76 N 2.87 4.22 -1.03 -0.36 0.11 -0.57 -4.68 120.40 120.97 2hky s VAL 76 Ca 0.51 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 2hky s VAL 76 Cb -0.20 -2.78 -0.16 0.00 -1.53 0.00 0.00 36.38 31.71 2hky s VAL 76 CO 0.15 0.58 2.12 -0.44 -3.33 0.00 0.00 175.10 174.17 2hky s SER 77 N -0.96 4.07 0.72 3.54 0.01 -1.26 -2.35 113.70 117.47 2hky s SER 77 Ca 0.14 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.52 2hky s SER 77 Cb -0.11 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.67 2hky s SER 77 CO 0.03 -3.99 0.97 0.00 0.41 0.00 0.00 173.24 170.66 2hky n LEU 78 N 17.68 0.00 -3.53 2.44 -0.00 0.13 -1.78 117.00 131.94 2hky n LEU 78 Ca 0.43 -2.15 -0.22 0.00 -0.00 0.00 0.00 56.01 54.08 2hky n LEU 78 Cb 0.46 -0.62 -0.14 0.00 -0.00 0.00 0.00 43.42 43.12 2hky n LEU 78 CO 0.60 -0.96 -0.26 -0.89 -0.00 0.00 0.00 177.39 175.89 2hky s THR 79 N -3.03 -0.22 -0.49 1.47 2.01 0.10 -0.35 115.64 115.13 2hky s THR 79 Ca 0.65 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.22 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 0.43 -0.29 0.82 -0.04 -0.69 0.00 0.00 174.62 174.85 2hky s MET 80 N 2.24 3.35 0.11 4.92 -1.94 0.86 -0.15 119.30 128.69 2hky s MET 80 Ca 0.05 -0.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.70 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 -0.14 -1.25 0.41 0.00 -0.01 0.00 0.00 175.02 174.03 2hky s LYS 82 N -2.20 0.88 -0.42 0.00 -2.85 -1.04 -2.19 119.74 111.91 2hky s LYS 82 Ca 0.37 -1.15 -0.29 0.00 -1.00 0.00 0.00 55.97 53.90 2hky s LYS 82 Cb -0.13 -0.63 0.01 0.00 -2.06 0.00 0.00 37.83 35.01 2hky s LYS 82 CO 0.20 0.11 1.47 -1.17 0.10 0.00 0.00 175.35 176.05 2hky s LEU 83 N -2.37 3.55 0.06 2.77 2.96 0.49 -2.33 118.68 123.80 2hky s LEU 83 Ca 0.05 0.81 -0.20 0.00 -0.22 0.00 0.00 54.13 54.58 2hky s LEU 83 Cb -0.04 -3.47 -0.12 0.00 0.50 0.00 0.00 46.19 43.07 2hky s LEU 83 CO 0.01 -1.52 1.45 0.71 -1.32 0.00 0.00 176.35 175.68 2hky h THR 84 N 6.51 1.29 0.00 3.68 1.35 -0.80 -3.48 112.91 121.45 2hky h THR 84 Ca -0.28 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2hky h THR 84 Cb 1.11 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2hky h THR 84 CO 1.09 0.31 0.00 -1.20 -0.25 0.00 0.00 175.52 175.47 2hky n SER 85 N -4.64 0.00 0.00 5.36 7.64 -1.11 -4.99 113.62 115.88 2hky n SER 85 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2hky n SER 85 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2hky n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hky n GLY 86 N -0.91 1.73 0.00 0.23 0.00 -1.26 -1.81 105.19 103.18 2hky n GLY 86 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.69 118.16 118.54 2hky n LYS 87 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 2hky n LYS 87 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 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 1.48 2.13 9.36 -1.26 -4.16 117.16 124.72 2hky n TYR 88 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 2hky n TYR 88 Cb 0.00 -0.28 0.55 0.00 -0.63 0.00 0.00 39.34 38.98 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 -2.95 1.26 -2.01 2.98 -0.04 -1.26 -4.07 135.00 128.91 2hky n PRO 89 Ca -0.14 -0.64 0.01 0.00 -0.04 0.00 0.00 63.50 62.68 2hky n PRO 89 Cb 0.63 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.31 0.76 -4.70 3.54 4.05 -1.26 -5.09 115.26 112.26 2hky n ASN 90 Ca 0.17 -2.03 -0.42 0.00 0.45 0.00 0.00 54.58 52.76 2hky n ASN 90 Cb 0.31 -0.21 -0.03 0.00 1.23 0.00 0.00 39.78 41.08 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hky s ARG 92 N 1.52 3.16 0.31 0.00 1.70 -0.75 -4.91 118.95 119.98 2hky s ARG 92 Ca 0.47 -0.67 0.09 0.00 -0.47 0.00 0.00 55.73 55.15 2hky s ARG 92 Cb -0.19 -2.59 -0.04 0.00 -0.57 0.00 0.00 34.95 31.56 2hky s ARG 92 CO 0.21 0.34 0.09 0.71 -1.08 0.00 0.00 175.30 175.57 2hky s TYR 93 N 0.02 2.71 -0.05 5.89 1.51 -1.26 -0.08 117.35 126.09 2hky s TYR 93 Ca -0.04 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 2hky s TYR 93 Cb -0.14 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 2hky s TYR 93 CO 0.04 0.44 -0.25 0.15 -1.11 0.00 0.00 175.55 174.83 2hky s LYS 94 N -3.79 2.51 -0.18 -0.62 -0.14 -0.99 -3.83 119.74 112.72 2hky s LYS 94 Ca 0.35 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.88 2hky s LYS 94 Cb -0.04 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2hky s LYS 94 CO 0.22 0.41 0.51 -1.83 -0.76 0.00 0.00 175.35 173.89 2hky s GLU 95 N -0.22 4.23 -0.35 1.68 -1.05 -1.26 -2.49 118.70 119.23 2hky s GLU 95 Ca -0.02 0.42 -0.05 0.00 -0.15 0.00 0.00 54.97 55.18 2hky s GLU 95 Cb -0.13 -3.53 0.06 0.00 -0.44 0.00 0.00 34.13 30.08 2hky s GLU 95 CO 0.03 -0.08 0.10 0.21 0.95 0.00 0.00 175.26 176.48 2hky s LYS 96 N 1.40 2.46 -0.38 -4.83 2.20 -0.89 -4.96 119.74 114.73 2hky s LYS 96 Ca 0.25 -1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.23 2hky s LYS 96 Cb -0.15 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2hky s LYS 96 CO 0.10 -0.75 1.52 0.50 -0.36 0.00 0.00 175.35 176.36 2hky s ARG 97 N 1.31 3.53 0.36 4.03 3.52 -1.26 -0.10 118.95 130.34 2hky s ARG 97 Ca -0.01 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 56.77 2hky s ARG 97 Cb -0.20 -4.07 -0.07 0.00 -1.56 0.00 0.00 34.95 29.05 2hky s ARG 97 CO 0.00 -1.62 -0.07 -1.14 -0.81 0.00 0.00 175.30 171.66 2hky s GLN 98 N 5.10 1.86 -0.23 5.12 2.00 0.52 -4.95 119.66 129.08 2hky s GLN 98 Ca 0.66 -1.99 -0.01 0.00 -2.00 0.00 0.00 55.36 52.03 2hky s GLN 98 Cb -0.16 -1.69 0.07 0.00 0.80 0.00 0.00 33.01 32.03 2hky s GLN 98 CO 0.33 0.09 0.00 0.54 -0.50 0.00 0.00 175.29 175.75 2hky s ASN 99 N -3.64 3.56 0.14 6.67 2.20 -1.26 0.18 114.94 122.80 2hky s ASN 99 Ca 0.33 -1.14 -0.21 0.00 -0.94 0.00 0.00 52.86 50.90 2hky s ASN 99 Cb 0.04 -0.94 0.06 0.00 -2.00 0.00 0.00 41.25 38.41 2hky s ASN 99 CO 0.17 -0.29 0.54 -0.54 -2.94 0.00 0.00 177.10 174.04 2hky s LYS 100 N 1.58 1.21 -0.30 3.55 1.02 -0.99 -4.72 119.74 121.08 2hky s LYS 100 Ca -0.02 -0.51 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 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 -2.70 6.82 0.26 2.83 0.01 0.46 -1.51 113.70 119.86 2hky s SER 101 Ca 0.01 0.90 0.04 0.00 1.31 0.00 0.00 55.95 58.21 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 -0.72 0.35 0.00 0.41 0.00 0.00 173.24 173.16 2hky n TYR 102 N 6.46 -2.52 -3.85 2.43 0.18 -1.26 -0.17 117.16 118.42 2hky n TYR 102 Ca 0.08 -0.97 -0.29 0.00 1.88 0.00 0.00 57.90 58.60 2hky n TYR 102 Cb 0.47 -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 -0.69 1.06 0.05 -3.48 1.01 0.10 -0.47 120.40 117.98 2hky s VAL 103 Ca 0.26 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2hky s VAL 103 Cb -0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2hky s VAL 103 CO 0.17 -0.11 -0.10 0.54 0.00 0.00 0.00 175.10 175.60 2hky s VAL 104 N 1.62 3.40 0.52 2.92 0.11 0.33 0.31 120.40 129.61 2hky s VAL 104 Ca -0.03 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.00 2hky s VAL 104 Cb -0.18 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.18 2hky s VAL 104 CO -0.07 0.29 0.76 0.00 -3.33 0.00 0.00 175.10 172.74 2hky s ALA 105 N -1.06 3.72 0.18 1.54 0.00 0.11 -0.62 121.76 125.63 2hky s ALA 105 Ca 0.18 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.12 2hky s ALA 105 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2hky s ALA 105 CO 0.09 -0.62 -0.17 0.00 0.00 0.00 0.00 175.76 175.06 2hky s LYS 107 N -3.05 0.49 0.25 0.00 2.20 -0.75 -4.85 119.74 114.03 2hky s LYS 107 Ca 0.17 0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 2hky s LYS 107 Cb -0.04 0.22 -0.12 0.00 -1.51 0.00 0.00 37.83 36.38 2hky s LYS 107 CO 0.07 -0.11 1.66 -1.25 -0.36 0.00 0.00 175.35 175.36 2hky s PRO 108 N -0.70 4.12 -0.43 4.03 0.04 -1.26 -0.78 135.00 140.02 2hky s PRO 108 Ca -0.08 2.60 -0.40 0.00 0.04 0.00 0.00 61.00 63.16 2hky s PRO 108 Cb -0.04 -3.04 -0.16 0.00 0.04 0.00 0.00 34.50 31.29 2hky s PRO 108 CO 0.02 -0.70 2.11 -2.30 0.04 0.00 0.00 177.00 176.18 2hky n PRO 109 N 3.02 0.48 0.00 0.56 -0.02 -1.26 -4.87 135.00 132.91 2hky n PRO 109 Ca 0.12 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2hky n PRO 109 Cb 0.36 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 7.51 0.00 0.00 -0.52 1.13 -1.26 -4.75 117.38 119.49 2hky n GLN 110 Ca 0.47 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2hky n GLN 110 Cb 0.07 -0.80 0.00 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.44 0.00 -0.21 -1.09 0.00 -1.26 -4.83 118.16 110.33 2hky n LYS 111 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 2hky n LYS 111 Cb 0.00 -0.47 0.17 0.00 -0.00 0.00 0.00 35.03 34.74 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 1.00 -1.07 -1.58 3.11 -1.94 -3.47 116.57 112.62 2hky h LYS 112 Ca 0.00 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2hky h LYS 112 Cb 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.05 2hky h LYS 112 CO 0.00 0.78 0.00 -3.47 -2.81 0.00 0.00 179.45 173.95 2hky n ASP 113 N -4.33 -1.02 0.18 4.20 -0.08 -1.26 -4.63 116.55 109.61 2hky n ASP 113 Ca 0.07 0.19 0.13 0.00 -1.51 0.00 0.00 54.79 53.66 2hky n ASP 113 Cb 0.14 -0.30 0.66 0.00 2.34 0.00 0.00 41.12 43.96 2hky n ASP 113 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2hky h SER 114 N 2.79 0.00 0.00 1.67 0.02 -2.00 -3.42 113.55 112.61 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 -2.38 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 122.79 2hky n GLN 115 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2hky n GLN 115 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.46 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 -2.74 0.00 0.00 2.61 10.64 -1.26 -5.08 117.38 121.55 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 -0.18 2.61 3.01 -1.26 -4.87 117.46 116.77 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 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 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 -2.60 0.00 0.00 1.38 -0.00 -1.26 -4.85 115.22 107.89 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 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 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 -4.25 0.27 -0.00 -1.20 -4.54 117.00 107.28 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 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.48 2hky n LEU 119 CO 0.00 0.00 -0.62 1.33 -0.00 0.00 0.00 177.39 178.10 2hky n VAL 120 N 0.00 0.52 -2.29 1.47 0.24 0.04 -3.95 118.33 114.36 2hky n VAL 120 Ca 0.00 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.34 61.49 2hky n VAL 120 Cb 0.00 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.00 2.98 0.00 7.34 0.04 -1.26 -1.81 135.00 140.29 2hky s PRO 121 Ca 0.54 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2hky s PRO 121 Cb -0.34 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2hky s PRO 121 CO 0.69 -2.65 0.00 1.55 0.04 0.00 0.00 177.00 176.63 2hky n VAL 122 N 7.13 0.00 -2.70 -0.36 3.14 -0.88 -4.07 118.33 120.58 2hky n VAL 122 Ca 0.25 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.42 2hky n VAL 122 Cb 0.50 -0.56 0.05 0.00 -1.06 0.00 0.00 33.84 32.77 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 2.46 -0.25 1.45 2.46 -1.23 -4.61 115.29 115.56 2hky s HIS 123 Ca 0.00 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.38 2hky s HIS 123 Cb 0.00 -2.72 0.06 0.00 -0.13 0.00 0.00 32.58 29.79 2hky s HIS 123 CO 0.00 -1.03 -0.09 -1.17 -2.47 0.00 0.00 174.74 169.98 2hky s LEU 124 N -4.79 3.22 0.01 8.88 0.20 -1.26 0.07 118.68 125.01 2hky s LEU 124 Ca 0.59 -1.35 -0.22 0.00 0.69 0.00 0.00 54.13 53.84 2hky s LEU 124 Cb -0.09 -1.44 -0.17 0.00 -0.43 0.00 0.00 46.19 44.06 2hky s LEU 124 CO 0.39 -0.21 1.29 -0.78 -0.29 0.00 0.00 176.35 176.75 2hky h ASP 125 N 7.82 0.25 -5.67 3.68 3.58 0.46 -3.47 116.42 123.08 2hky h ASP 125 Ca -0.18 -0.51 0.27 0.00 0.42 0.00 0.00 57.03 57.03 2hky h ASP 125 Cb 1.05 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.98 2hky h ASP 125 CO 0.45 0.71 0.78 0.00 -2.88 0.00 0.00 179.24 178.30 2hky s ARG 126 N -4.18 0.76 -0.05 0.28 1.70 -0.86 -4.96 118.95 111.64 2hky s ARG 126 Ca -0.15 -0.50 0.05 0.00 -0.47 0.00 0.00 55.73 54.67 2hky s ARG 126 Cb 0.04 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2hky s ARG 126 CO 0.73 -0.36 -0.21 0.08 -1.08 0.00 0.00 175.30 174.46 2hky s VAL 127 N -2.04 2.48 0.00 4.99 1.01 -1.26 0.02 120.40 125.60 2hky s VAL 127 Ca 0.27 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2hky s VAL 127 Cb -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2hky s VAL 127 CO 0.02 0.58 0.32 -0.11 0.00 0.00 0.00 175.10 175.90