#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky n LYS 1 N 0.00 -1.45 0.00 3.17 4.01 -1.26 -4.95 118.16 117.68 2hky n LYS 1 Ca 0.00 1.21 0.00 0.00 -0.51 0.00 0.00 58.31 59.01 2hky n LYS 1 Cb 0.00 -4.25 0.00 0.00 -0.51 0.00 0.00 35.03 30.27 2hky n LYS 1 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hky n PRO 2 N -2.06 1.05 -3.64 1.97 -0.02 -1.26 -5.07 135.00 125.98 2hky n PRO 2 Ca -0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.34 2hky n PRO 2 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.00 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 -0.67 0.26 0.00 -0.52 -2.85 -1.26 -4.89 119.74 109.80 2hky s LYS 3 Ca 0.00 0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2hky s LYS 3 Cb 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2hky s LYS 3 CO 0.00 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2hky n GLY 4 N 3.52 0.30 2.67 0.59 0.00 -1.26 -4.83 105.19 106.19 2hky n GLY 4 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.34 1.96 -0.85 1.61 2.81 -1.26 -4.84 117.12 115.22 2hky n MET 5 Ca 0.00 -3.60 -0.35 0.00 -1.81 0.00 0.00 57.70 51.95 2hky n MET 5 Cb 0.20 -1.66 0.10 0.00 -0.71 0.00 0.00 33.22 31.15 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 -0.51 0.00 0.28 2.03 -1.04 -1.26 -4.16 114.28 109.62 2hky n THR 6 Ca 0.14 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.05 61.72 2hky n THR 6 Cb 0.82 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.46 -1.35 -0.66 8.00 0.87 -1.96 0.29 113.55 117.28 2hky h SER 7 Ca -0.46 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2hky h SER 7 Cb 1.33 0.45 -0.03 0.00 -0.44 0.00 0.00 62.40 63.71 2hky h SER 7 CO 0.30 -0.64 0.42 -1.28 -0.53 0.00 0.00 176.83 175.10 2hky h SER 8 N -0.97 0.77 -0.44 6.23 0.87 -1.83 -1.54 113.55 116.66 2hky h SER 8 Ca -0.05 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.56 2hky h SER 8 Cb 0.85 -0.19 -0.09 0.00 -0.44 0.00 0.00 62.40 62.52 2hky h SER 8 CO -0.08 0.58 -0.17 -0.61 -0.53 0.00 0.00 176.83 176.02 2hky h GLN 9 N 0.90 -0.08 -0.29 2.24 5.75 -1.67 0.45 115.11 122.41 2hky h GLN 9 Ca 0.24 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 2hky h GLN 9 Cb -0.07 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2hky h GLN 9 CO -0.05 -0.05 0.11 2.35 -2.65 0.00 0.00 178.83 178.54 2hky h TRP 10 N -0.08 0.40 -0.00 3.99 -0.00 0.15 -0.90 115.95 119.50 2hky h TRP 10 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.09 2hky h TRP 10 Cb 0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.44 2hky h TRP 10 CO -0.43 0.33 -0.05 1.19 -0.00 0.00 0.00 178.44 179.48 2hky n PHE 11 N -4.41 0.00 0.01 2.65 3.01 0.12 -1.95 117.46 116.89 2hky n PHE 11 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.42 2hky n PHE 11 Cb 0.14 -0.47 -0.11 0.00 -0.01 0.00 0.00 39.48 39.02 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 0.11 0.51 116.57 121.20 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 0.50 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.83 2hky h LYS 12 CO 0.00 0.51 -0.23 -0.84 -2.09 0.00 0.00 179.45 176.80 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.38 0.25 117.51 119.52 2hky h ILE 13 Ca -0.20 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2hky h ILE 13 Cb 1.84 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.19 2hky h ILE 13 CO 0.08 0.00 -1.10 0.00 -1.05 0.00 0.00 178.15 176.08 2hky n GLN 14 N -2.88 0.83 -0.73 0.16 10.64 -0.82 -4.66 117.38 119.91 2hky n GLN 14 Ca 0.03 -0.04 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2hky n GLN 14 Cb 0.52 -1.39 -0.01 0.00 -0.86 0.00 0.00 30.24 28.50 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 -1.60 0.00 -3.53 2.61 8.25 0.18 -4.64 115.22 116.48 2hky n HIS 15 Ca 0.02 -0.16 -0.37 0.00 -0.26 0.00 0.00 57.72 56.95 2hky n HIS 15 Cb 0.33 0.14 -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 4.13 -0.01 -0.41 0.23 0.89 -1.46 119.30 122.67 2hky s MET 16 Ca 0.05 -0.04 0.16 0.00 -1.03 0.00 0.00 55.69 54.83 2hky s MET 16 Cb 0.06 -3.53 -0.20 0.00 -1.53 0.00 0.00 34.83 29.63 2hky s MET 16 CO -0.02 0.02 0.59 0.94 -2.03 0.00 0.00 175.02 174.52 2hky n GLN 17 N 4.34 1.40 -0.17 3.16 7.27 0.97 -4.12 117.38 130.23 2hky n GLN 17 Ca -0.12 -0.04 0.28 0.00 0.07 0.00 0.00 57.00 57.19 2hky n GLN 17 Cb 0.52 -1.29 0.56 0.00 2.41 0.00 0.00 30.24 32.43 2hky n GLN 17 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 2hky h PRO 18 N 0.00 0.00 0.00 3.69 0.11 -1.90 -3.37 132.00 130.53 2hky h PRO 18 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hky h PRO 18 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 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 -3.44 0.00 0.17 -2.05 2.88 -1.26 -5.04 113.62 104.88 2hky n SER 19 Ca 0.21 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.87 2hky n SER 19 Cb 1.32 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.90 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2hky h PRO 20 N 0.00 0.00 -0.32 -1.46 0.13 -1.74 -3.48 132.00 125.14 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 -2.91 0.00 -0.52 0.86 1.13 -1.26 -4.35 117.38 110.33 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 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.57 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 -0.16 -2.44 0.04 -1.58 0.00 -1.26 -3.65 120.51 111.46 2hky n ALA 22 Ca 0.00 0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.76 2hky n ALA 22 Cb 0.07 -0.78 0.68 0.00 0.00 0.00 0.00 19.45 19.42 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 0.02 -0.52 0.48 0.00 -0.26 -1.81 0.60 115.58 114.09 2hky h ASN 24 Ca 0.22 0.13 -0.30 0.00 -0.56 0.00 0.00 56.30 55.78 2hky h ASN 24 Cb 0.85 0.29 0.02 0.00 -1.06 0.00 0.00 38.32 38.41 2hky h ASN 24 CO -0.01 -0.19 -1.37 -1.28 -1.06 0.00 0.00 177.43 173.52 2hky h SER 25 N -0.10 0.57 -0.91 5.81 0.87 -0.96 -2.29 113.55 116.54 2hky h SER 25 Ca 0.17 -0.63 0.06 0.00 -1.23 0.00 0.00 61.79 60.16 2hky h SER 25 Cb 0.35 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 2hky h SER 25 CO -0.40 1.50 0.59 0.00 -0.53 0.00 0.00 176.83 178.00 2hky h ALA 26 N 0.41 1.49 0.00 6.23 0.00 0.14 0.10 119.26 127.64 2hky h ALA 26 Ca -0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2hky h ALA 26 Cb 2.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2hky h ALA 26 CO 0.22 0.38 -0.57 1.98 0.00 0.00 0.00 179.25 181.27 2hky h MET 27 N 1.06 0.00 -0.16 0.00 -1.53 0.17 -3.16 114.93 111.31 2hky h MET 27 Ca 0.39 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.64 2hky h MET 27 Cb 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2hky h MET 27 CO -0.14 0.57 0.05 0.87 0.14 0.00 0.00 176.91 178.39 2hky h LYS 28 N 0.00 0.21 0.00 0.39 1.79 -0.19 0.83 116.57 119.60 2hky h LYS 28 Ca -0.01 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 2hky h LYS 28 Cb 1.39 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.99 2hky h LYS 28 CO 0.07 0.20 -0.24 -0.97 -1.08 0.00 0.00 179.45 177.44 2hky h ASN 29 N 0.22 0.00 0.61 0.86 -0.73 -1.42 -2.66 115.58 112.47 2hky h ASN 29 Ca 0.06 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.95 2hky h ASN 29 Cb 0.08 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 2hky h ASN 29 CO -0.00 0.24 -1.32 0.40 -0.37 0.00 0.00 177.43 176.37 2hky h ILE 30 N 0.00 1.40 0.00 2.57 1.08 -1.01 -2.90 117.51 118.65 2hky h ILE 30 Ca -0.00 -3.01 0.00 0.00 -0.39 0.00 0.00 64.86 61.45 2hky h ILE 30 Cb 0.79 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.41 2hky h ILE 30 CO 0.03 0.87 0.00 -0.55 -0.69 0.00 0.00 178.15 177.81 2hky h ASN 31 N 0.06 0.00 0.40 1.72 -0.00 -0.96 0.10 115.58 116.90 2hky h ASN 31 Ca -0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.83 2hky h ASN 31 Cb 1.97 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 40.27 2hky h ASN 31 CO 0.18 0.00 -1.64 0.07 -0.00 0.00 0.00 177.43 176.04 2hky h LYS 32 N 0.00 0.22 0.00 4.14 5.09 -1.44 0.01 116.57 124.59 2hky h LYS 32 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 60.65 60.36 2hky h LYS 32 Cb 0.54 0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.01 2hky h LYS 32 CO 0.00 1.06 -0.65 1.12 -2.09 0.00 0.00 179.45 178.89 2hky h HIS 33 N 0.06 0.00 -0.00 0.07 2.07 -1.30 -3.31 115.15 112.73 2hky h HIS 33 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 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 0.06 0.00 -0.47 0.25 -3.07 0.00 0.00 177.93 174.70 2hky n THR 34 N -2.21 0.00 -2.07 6.12 -2.24 0.33 -4.96 114.28 109.24 2hky n THR 34 Ca 0.03 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.37 2hky n THR 34 Cb 0.46 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.97 -1.72 -3.55 -0.78 4.76 -0.02 -4.90 118.16 110.98 2hky n LYS 35 Ca 0.03 0.90 -0.11 0.00 -2.87 0.00 0.00 58.31 56.26 2hky n LYS 35 Cb 0.21 -5.42 -0.05 0.00 -1.84 0.00 0.00 35.03 27.93 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 -4.44 0.72 -0.69 1.97 6.06 -1.14 -5.02 118.95 116.40 2hky s ARG 36 Ca 0.00 0.06 -0.20 0.00 -2.50 0.00 0.00 55.73 53.10 2hky s ARG 36 Cb 0.00 0.34 0.10 0.00 0.06 0.00 0.00 34.95 35.45 2hky s ARG 36 CO 0.00 -0.25 0.88 0.00 -2.50 0.00 0.00 175.30 173.43 2hky n LYS 38 N 6.72 0.02 0.00 0.00 4.76 -1.26 -4.61 118.16 123.79 2hky n LYS 38 Ca -0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 2hky n LYS 38 Cb 0.45 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.74 0.00 -3.75 4.39 -0.08 -1.26 -4.90 116.55 109.20 2hky n ASP 39 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2hky n ASP 39 Cb 0.66 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.01 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 0.59 -0.17 -2.67 1.98 -1.26 -0.34 118.68 116.80 2hky s LEU 40 Ca 0.00 0.68 -0.08 0.00 -2.89 0.00 0.00 54.13 51.83 2hky s LEU 40 Cb 0.00 1.11 0.06 0.00 0.66 0.00 0.00 46.19 48.02 2hky s LEU 40 CO 0.00 -0.13 0.40 0.20 -1.89 0.00 0.00 176.35 174.93 2hky s ASN 41 N 0.48 -0.43 0.14 3.68 -0.87 -1.01 -4.97 114.94 111.95 2hky s ASN 41 Ca -0.02 0.88 0.05 0.00 -1.57 0.00 0.00 52.86 52.19 2hky s ASN 41 Cb -0.04 0.84 -0.04 0.00 -0.02 0.00 0.00 41.25 41.99 2hky s ASN 41 CO -0.03 -0.20 0.11 0.42 -2.57 0.00 0.00 177.10 174.83 2hky s THR 42 N 1.62 4.45 0.08 1.60 -4.23 -1.26 -1.24 115.64 116.66 2hky s THR 42 Ca -0.08 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2hky s THR 42 Cb -0.09 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2hky s THR 42 CO -0.12 -0.03 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.50 2hky s PHE 43 N -1.63 0.80 0.16 3.99 0.40 0.78 -4.36 117.98 118.12 2hky s PHE 43 Ca 0.30 -0.89 0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2hky s PHE 43 Cb -0.11 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 2hky s PHE 43 CO 0.23 -0.18 -0.25 -0.51 0.70 0.00 0.00 175.22 175.21 2hky s LEU 44 N -2.84 2.41 -0.85 -0.37 1.43 -0.53 -0.06 118.68 117.87 2hky s LEU 44 Ca 0.08 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2hky s LEU 44 Cb 0.04 -1.23 0.29 0.00 0.03 0.00 0.00 46.19 45.31 2hky s LEU 44 CO -0.05 0.15 1.16 1.57 0.23 0.00 0.00 176.35 179.41 2hky n HIS 45 N 0.58 3.00 -3.71 0.29 -0.00 -0.75 -0.02 115.22 114.62 2hky n HIS 45 Ca -0.15 -3.35 -0.11 0.00 0.46 0.00 0.00 57.72 54.57 2hky n HIS 45 Cb 0.54 -0.90 -0.11 0.00 -0.12 0.00 0.00 29.99 29.40 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 -2.82 0.34 0.06 1.57 2.56 -1.26 -4.64 118.70 114.51 2hky s GLU 46 Ca 0.37 0.71 -0.36 0.00 0.00 0.00 0.00 54.97 55.68 2hky s GLU 46 Cb 0.12 -0.04 -0.15 0.00 2.00 0.00 0.00 34.13 36.05 2hky s GLU 46 CO 0.03 -0.16 1.51 -2.30 -0.56 0.00 0.00 175.26 173.78 2hky n PRO 47 N 4.21 1.59 0.30 4.30 -0.02 -1.26 -4.41 135.00 139.72 2hky n PRO 47 Ca -0.24 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2hky n PRO 47 Cb 0.55 -2.29 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 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 5.69 0.00 0.05 6.00 0.04 -1.99 2.46 116.94 129.19 2hky h PHE 48 Ca -0.47 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.05 2hky h PHE 48 Cb 1.30 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.46 2hky h PHE 48 CO 0.65 0.00 -1.08 0.66 -0.60 0.00 0.00 178.31 177.94 2hky h SER 49 N 0.00 0.65 0.45 2.17 4.64 -1.97 0.48 113.55 119.97 2hky h SER 49 Ca 0.00 -0.57 -0.30 0.00 -0.47 0.00 0.00 61.79 60.44 2hky h SER 49 Cb 1.72 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.58 2hky h SER 49 CO 0.00 1.39 -1.60 0.28 -0.87 0.00 0.00 176.83 176.03 2hky h SER 50 N 0.24 0.29 0.22 4.97 0.02 0.38 -2.86 113.55 116.81 2hky h SER 50 Ca -0.12 -0.45 -0.13 0.00 -0.84 0.00 0.00 61.79 60.24 2hky h SER 50 Cb 1.74 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 2hky h SER 50 CO 0.19 1.38 -0.51 0.58 -1.14 0.00 0.00 176.83 177.34 2hky h VAL 51 N 0.05 1.34 0.37 2.27 2.07 -0.81 0.22 116.25 121.77 2hky h VAL 51 Ca -0.26 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 2hky h VAL 51 Cb 2.00 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 2hky h VAL 51 CO 0.13 0.53 -0.32 0.00 0.02 0.00 0.00 177.57 177.93 2hky h ALA 52 N 1.21 -0.70 -0.20 1.67 0.00 -0.05 0.18 119.26 121.38 2hky h ALA 52 Ca 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2hky h ALA 52 Cb 0.98 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2hky h ALA 52 CO 0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 179.25 178.26 2hky h ALA 53 N -0.19 1.39 -0.21 0.00 0.00 -1.32 -0.98 119.26 117.95 2hky h ALA 53 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hky h ALA 53 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hky h ALA 53 CO -0.03 0.42 0.14 1.15 0.00 0.00 0.00 179.25 180.93 2hky h THR 54 N 0.31 1.03 0.00 0.00 2.02 0.63 0.17 112.91 117.06 2hky h THR 54 Ca 0.06 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2hky h THR 54 Cb 0.45 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2hky h THR 54 CO 0.03 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.96 2hky n GLN 56 N 0.16 4.58 -1.08 0.00 -0.06 0.59 -4.74 117.38 116.82 2hky n GLN 56 Ca 0.00 -0.01 -0.30 0.00 -2.00 0.00 0.00 57.00 54.69 2hky n GLN 56 Cb 0.25 -0.81 0.13 0.00 -4.06 0.00 0.00 30.24 25.75 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 -1.63 2.80 -0.39 1.69 -1.32 -1.11 -4.80 115.64 110.87 2hky s THR 57 Ca 0.02 0.26 -0.38 0.00 -1.21 0.00 0.00 61.69 60.38 2hky s THR 57 Cb 0.04 -2.62 -0.16 0.00 -1.51 0.00 0.00 72.50 68.25 2hky s THR 57 CO 0.24 -0.34 1.27 -2.65 -2.21 0.00 0.00 174.62 170.93 2hky n PRO 58 N -3.86 0.00 -0.05 7.08 -0.02 -1.26 -4.64 135.00 132.25 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 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2hky n PRO 58 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2hky n LYS 59 N 3.13 1.36 -3.58 -0.52 2.85 -1.25 -4.21 118.16 115.95 2hky n LYS 59 Ca 0.25 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.37 2hky n LYS 59 Cb -0.04 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.28 2hky n LYS 59 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2hky s ILE 60 N 0.41 0.03 -0.92 0.58 -4.36 -1.23 -4.95 121.20 110.76 2hky s ILE 60 Ca 0.00 -0.25 -0.23 0.00 -0.26 0.00 0.00 60.65 59.91 2hky s ILE 60 Cb 0.00 -0.97 -0.20 0.00 1.25 0.00 0.00 42.46 42.54 2hky s ILE 60 CO 0.00 -0.14 2.06 0.00 0.24 0.00 0.00 174.94 177.10 2hky n ALA 61 N 0.43 0.27 -0.65 2.27 0.00 -1.26 -2.78 120.51 118.79 2hky n ALA 61 Ca -0.18 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2hky n ALA 61 Cb 0.60 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2hky n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky h LYS 63 N 0.00 -0.02 0.00 0.00 1.57 -1.94 -3.45 116.57 112.73 2hky h LYS 63 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2hky h LYS 63 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2hky h LYS 63 CO 0.00 -0.01 -0.21 -1.71 -0.57 0.00 0.00 179.45 176.94 2hky n ASN 64 N -2.15 -0.14 0.00 0.86 2.85 -1.25 -4.89 115.26 110.53 2hky n ASN 64 Ca -0.00 -1.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.03 2hky n ASN 64 Cb 0.01 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.03 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hky n GLY 65 N 0.03 -0.47 0.36 8.20 0.00 -1.26 -5.00 105.19 107.05 2hky n GLY 65 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.67 -6.22 1.61 5.19 -1.84 -3.46 116.42 112.38 2hky h ASP 66 Ca 0.00 0.01 -0.44 0.00 -0.62 0.00 0.00 57.03 55.98 2hky h ASP 66 Cb 0.00 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 39.41 2hky h ASP 66 CO 0.00 0.40 -0.85 0.29 -3.12 0.00 0.00 179.24 175.96 2hky n LYS 67 N -4.50 -4.40 0.00 3.56 5.02 -1.12 -4.79 118.16 111.93 2hky n LYS 67 Ca 0.13 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2hky n LYS 67 Cb 0.31 -4.97 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 2hky n LYS 67 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hky n ASN 68 N -3.03 0.65 -4.93 4.39 4.13 -1.23 -4.72 115.26 110.50 2hky n ASN 68 Ca -0.30 -0.86 -0.25 0.00 1.68 0.00 0.00 54.58 54.85 2hky n ASN 68 Cb 0.68 0.20 0.02 0.00 -1.54 0.00 0.00 39.78 39.14 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 -2.75 -0.75 -0.08 0.00 3.76 -0.03 -3.54 115.29 111.91 2hky s HIS 70 Ca 0.50 1.38 -0.14 0.00 -0.15 0.00 0.00 55.06 56.65 2hky s HIS 70 Cb -0.10 0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.77 2hky s HIS 70 CO 0.41 -0.49 0.36 -1.14 -0.85 0.00 0.00 174.74 173.04 2hky s GLN 71 N 2.58 4.04 0.39 1.40 0.74 -1.26 -0.81 119.66 126.75 2hky s GLN 71 Ca 0.00 0.28 -0.25 0.00 0.05 0.00 0.00 55.36 55.44 2hky s GLN 71 Cb -0.12 -3.31 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 2hky s GLN 71 CO -0.12 0.48 1.11 -1.13 -0.55 0.00 0.00 175.29 175.07 2hky n SER 72 N 2.65 1.77 -0.67 6.67 3.41 0.34 -4.78 113.62 123.01 2hky n SER 72 Ca -0.13 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2hky n SER 72 Cb 0.52 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2hky n SER 72 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2hky n HIS 73 N -0.23 0.00 -0.80 7.33 -0.00 -1.26 -4.76 115.22 115.51 2hky n HIS 73 Ca 0.08 -0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2hky n HIS 73 Cb 0.38 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2hky n HIS 73 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hky n GLY 74 N 0.30 -1.80 3.68 1.57 0.00 -1.26 -5.12 105.19 102.56 2hky n GLY 74 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.75 4.30 -0.08 1.61 0.04 -1.26 -3.32 135.00 134.54 2hky s PRO 75 Ca 0.00 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2hky s PRO 75 Cb 0.00 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 2hky s PRO 75 CO 0.00 -0.55 -0.03 0.54 0.04 0.00 0.00 177.00 177.00 2hky s VAL 76 N 2.67 4.05 -0.98 -0.36 0.11 -0.70 -4.69 120.40 120.51 2hky s VAL 76 Ca 0.57 -0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 59.02 2hky s VAL 76 Cb -0.25 -2.69 -0.14 0.00 -1.53 0.00 0.00 36.38 31.78 2hky s VAL 76 CO 0.21 0.60 2.14 -0.94 -3.33 0.00 0.00 175.10 173.77 2hky s SER 77 N -0.86 4.21 0.73 3.54 1.04 -1.26 -2.31 113.70 118.80 2hky s SER 77 Ca 0.13 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2hky s SER 77 Cb -0.11 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.58 2hky s SER 77 CO 0.02 -3.78 1.01 -1.48 0.98 0.00 0.00 173.24 169.99 2hky s LEU 78 N 13.84 2.93 -0.19 2.42 0.05 0.12 -1.81 118.68 136.05 2hky s LEU 78 Ca 0.80 -0.55 -0.05 0.00 0.05 0.00 0.00 54.13 54.38 2hky s LEU 78 Cb -0.07 -1.68 0.07 0.00 -2.05 0.00 0.00 46.19 42.46 2hky s LEU 78 CO 0.10 -1.94 0.14 -0.89 -0.55 0.00 0.00 176.35 173.21 2hky s THR 79 N -3.14 -0.17 -0.48 5.48 2.01 0.91 -0.84 115.64 119.42 2hky s THR 79 Ca 0.68 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 2hky s THR 79 Cb -0.04 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2hky s THR 79 CO 0.45 -0.28 0.76 -0.04 -0.69 0.00 0.00 174.62 174.82 2hky s MET 80 N 2.20 3.32 0.14 4.92 -1.94 0.78 -0.16 119.30 128.55 2hky s MET 80 Ca 0.04 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.63 2hky s MET 80 Cb -0.16 -3.99 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 2hky s MET 80 CO -0.11 -1.18 0.42 0.00 -0.01 0.00 0.00 175.02 174.14 2hky s LYS 82 N -2.38 0.73 -0.45 0.00 -2.85 -1.06 -2.40 119.74 111.34 2hky s LYS 82 Ca 0.39 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.01 2hky s LYS 82 Cb -0.13 -0.38 0.02 0.00 -2.06 0.00 0.00 37.83 35.28 2hky s LYS 82 CO 0.21 0.05 1.35 -1.17 0.10 0.00 0.00 175.35 175.89 2hky s LEU 83 N -2.27 3.57 0.01 2.77 2.96 0.54 -2.32 118.68 123.93 2hky s LEU 83 Ca 0.02 0.67 -0.24 0.00 -0.22 0.00 0.00 54.13 54.35 2hky s LEU 83 Cb -0.03 -3.48 -0.18 0.00 0.50 0.00 0.00 46.19 42.99 2hky s LEU 83 CO -0.01 -1.43 1.34 0.71 -1.32 0.00 0.00 176.35 175.64 2hky h THR 84 N 6.41 1.34 0.00 3.68 1.35 -1.40 -3.49 112.91 120.80 2hky h THR 84 Ca -0.26 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2hky h THR 84 Cb 1.09 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2hky h THR 84 CO 1.11 0.29 0.00 -1.20 -0.25 0.00 0.00 175.52 175.47 2hky n SER 85 N -4.80 0.00 0.00 5.36 7.64 -1.13 -5.00 113.62 115.69 2hky n SER 85 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2hky n SER 85 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.76 2.73 0.00 0.23 0.00 -1.26 -1.67 105.19 104.47 2hky n GLY 86 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.08 1.61 4.76 -1.26 -4.65 118.16 118.55 2hky n LYS 87 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2hky n LYS 87 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 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 1.42 2.13 9.36 -1.26 -3.85 117.16 124.96 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 -0.58 0.50 0.00 -0.63 0.00 0.00 39.34 38.63 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 -3.24 1.22 -1.21 2.98 -0.04 -1.26 -4.08 135.00 129.37 2hky n PRO 89 Ca -0.29 -0.66 0.02 0.00 -0.04 0.00 0.00 63.50 62.53 2hky n PRO 89 Cb 0.76 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.52 -4.69 3.54 5.15 -1.26 -5.09 115.26 113.12 2hky n ASN 90 Ca 0.16 -1.96 -0.42 0.00 -0.60 0.00 0.00 54.58 51.76 2hky n ASN 90 Cb 0.33 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.36 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 1.65 3.06 0.31 0.00 1.70 -0.67 -4.93 118.95 120.08 2hky s ARG 92 Ca 0.46 -0.58 0.08 0.00 -0.47 0.00 0.00 55.73 55.22 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 0.19 0.48 0.13 0.71 -1.08 0.00 0.00 175.30 175.73 2hky s TYR 93 N -0.31 2.77 -0.04 5.89 1.51 -1.26 -1.04 117.35 124.86 2hky s TYR 93 Ca 0.04 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 2hky s TYR 93 Cb -0.13 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 2hky s TYR 93 CO 0.02 0.40 -0.25 0.15 -1.11 0.00 0.00 175.55 174.77 2hky s LYS 94 N -3.83 2.35 -0.18 -0.62 -0.14 -0.98 -3.82 119.74 112.52 2hky s LYS 94 Ca 0.36 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2hky s LYS 94 Cb -0.04 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 2hky s LYS 94 CO 0.23 0.48 0.49 -1.83 -0.76 0.00 0.00 175.35 173.95 2hky s GLU 95 N -0.40 4.22 -0.35 1.68 -1.05 -1.26 -2.57 118.70 118.97 2hky s GLU 95 Ca 0.04 0.39 -0.06 0.00 -0.15 0.00 0.00 54.97 55.19 2hky s GLU 95 Cb -0.12 -3.53 0.06 0.00 -0.44 0.00 0.00 34.13 30.10 2hky s GLU 95 CO 0.01 -0.07 0.12 0.21 0.95 0.00 0.00 175.26 176.49 2hky s LYS 96 N 1.37 2.51 -0.45 -4.83 2.20 -0.84 -4.97 119.74 114.73 2hky s LYS 96 Ca 0.24 -1.31 -0.29 0.00 -0.36 0.00 0.00 55.97 54.25 2hky s LYS 96 Cb -0.15 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2hky s LYS 96 CO 0.09 -0.75 1.34 0.50 -0.36 0.00 0.00 175.35 176.18 2hky s ARG 97 N 1.35 3.58 0.35 4.03 3.52 -1.26 -0.16 118.95 130.36 2hky s ARG 97 Ca -0.00 0.79 0.09 0.00 -0.13 0.00 0.00 55.73 56.48 2hky s ARG 97 Cb -0.20 -4.01 -0.07 0.00 -1.56 0.00 0.00 34.95 29.11 2hky s ARG 97 CO 0.01 -1.56 -0.07 -0.65 -0.81 0.00 0.00 175.30 172.23 2hky s GLN 98 N 4.88 1.87 -0.23 5.12 -0.21 -0.02 -4.96 119.66 126.11 2hky s GLN 98 Ca 0.57 -1.94 -0.01 0.00 0.02 0.00 0.00 55.36 54.00 2hky s GLN 98 Cb -0.12 -1.72 0.07 0.00 1.00 0.00 0.00 33.01 32.24 2hky s GLN 98 CO 0.32 0.11 0.00 0.54 -2.12 0.00 0.00 175.29 174.14 2hky s ASN 99 N -3.64 3.57 0.08 5.90 4.22 -1.26 0.16 114.94 123.97 2hky s ASN 99 Ca 0.33 -1.15 -0.21 0.00 -2.14 0.00 0.00 52.86 49.69 2hky s ASN 99 Cb 0.03 -0.94 0.05 0.00 1.28 0.00 0.00 41.25 41.67 2hky s ASN 99 CO 0.17 -0.29 0.51 -0.54 -2.04 0.00 0.00 177.10 174.91 2hky s LYS 100 N 1.57 1.08 -0.32 3.55 1.02 -0.98 -4.72 119.74 120.94 2hky s LYS 100 Ca -0.01 -0.34 -0.27 0.00 0.02 0.00 0.00 55.97 55.36 2hky s LYS 100 Cb -0.18 0.49 0.01 0.00 -0.52 0.00 0.00 37.83 37.63 2hky s LYS 100 CO -0.10 -0.41 0.97 -1.12 -0.92 0.00 0.00 175.35 173.78 2hky s SER 101 N -2.22 6.82 0.21 2.83 0.01 0.31 -1.72 113.70 119.94 2hky s SER 101 Ca -0.03 0.87 0.04 0.00 1.31 0.00 0.00 55.95 58.13 2hky s SER 101 Cb -0.00 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.77 2hky s SER 101 CO -0.05 -0.80 0.29 0.00 0.41 0.00 0.00 173.24 173.09 2hky n TYR 102 N 6.67 -2.74 -3.82 2.43 0.18 -1.26 -0.09 117.16 118.53 2hky n TYR 102 Ca 0.09 -0.77 -0.29 0.00 1.88 0.00 0.00 57.90 58.81 2hky n TYR 102 Cb 0.47 -0.20 -0.16 0.00 -0.38 0.00 0.00 39.34 39.07 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 -0.31 0.93 0.06 -3.48 1.01 0.10 -0.50 120.40 118.20 2hky s VAL 103 Ca 0.22 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2hky s VAL 103 Cb -0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2hky s VAL 103 CO 0.14 -0.15 -0.08 0.54 0.00 0.00 0.00 175.10 175.55 2hky s VAL 104 N 1.67 3.50 0.53 2.92 0.11 0.01 0.31 120.40 129.45 2hky s VAL 104 Ca -0.03 -1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 57.97 2hky s VAL 104 Cb -0.18 -2.59 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2hky s VAL 104 CO -0.07 0.24 0.78 0.00 -3.33 0.00 0.00 175.10 172.71 2hky s ALA 105 N -1.12 3.67 0.12 1.54 0.00 0.11 -0.85 121.76 125.23 2hky s ALA 105 Ca 0.20 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2hky s ALA 105 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2hky s ALA 105 CO 0.11 -0.66 -0.15 0.00 0.00 0.00 0.00 175.76 175.06 2hky s LYS 107 N -2.55 0.51 0.31 0.00 2.20 -0.86 -4.87 119.74 114.48 2hky s LYS 107 Ca 0.08 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 2hky s LYS 107 Cb -0.06 0.24 -0.12 0.00 -1.51 0.00 0.00 37.83 36.38 2hky s LYS 107 CO 0.03 -0.09 1.48 -0.35 -0.36 0.00 0.00 175.35 176.06 2hky n PRO 108 N 2.38 2.46 -1.60 4.03 -0.04 -1.26 -0.71 135.00 140.26 2hky n PRO 108 Ca -0.16 0.87 -0.57 0.00 -0.04 0.00 0.00 63.50 63.61 2hky n PRO 108 Cb 0.57 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.38 2hky n PRO 108 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2hky n PRO 109 N 1.46 0.66 0.00 0.54 -0.02 -1.26 -4.84 135.00 131.54 2hky n PRO 109 Ca 0.07 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2hky n PRO 109 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.82 0.00 0.00 -0.52 1.13 -1.26 -4.85 117.38 114.70 2hky n GLN 110 Ca 0.22 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 2hky n GLN 110 Cb 0.12 -0.84 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 1.63 -1.44 0.00 0.00 177.06 177.25 2hky n LYS 111 N -0.77 0.06 -0.12 -1.09 4.76 -1.26 -4.84 118.16 114.90 2hky n LYS 111 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2hky n LYS 111 Cb 0.00 -0.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.66 2hky n LYS 111 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2hky h LYS 112 N 0.00 0.52 -3.34 1.97 3.11 -1.93 -3.48 116.57 113.42 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 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 2hky h LYS 112 CO 0.00 0.43 -0.00 -3.47 -2.81 0.00 0.00 179.45 173.60 2hky n ASP 113 N -4.75 -4.15 0.17 4.20 -0.08 -1.26 -4.65 116.55 106.03 2hky n ASP 113 Ca -0.00 0.52 0.12 0.00 -1.51 0.00 0.00 54.79 53.92 2hky n ASP 113 Cb 0.08 -0.83 0.63 0.00 2.34 0.00 0.00 41.12 43.33 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 3.66 0.00 0.00 1.67 0.02 -2.01 -3.42 113.55 113.47 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 -2.34 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 122.83 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 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 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 -2.75 0.00 0.00 2.61 10.64 -1.26 -5.08 117.38 121.54 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 -0.34 2.61 3.01 -1.26 -4.87 117.46 116.61 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 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 -2.69 0.00 0.00 1.38 -0.00 -1.26 -4.84 115.22 107.81 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 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 29.70 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 -4.22 0.27 -0.00 -1.19 -4.41 117.00 107.44 2hky n LEU 119 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 2hky n LEU 119 Cb 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.53 2hky n LEU 119 CO 0.00 0.00 -0.69 1.33 -0.00 0.00 0.00 177.39 178.03 2hky n VAL 120 N 0.00 0.38 -2.32 1.47 0.24 0.11 -3.92 118.33 114.30 2hky n VAL 120 Ca 0.00 -0.43 -0.37 0.00 -2.04 0.00 0.00 64.34 61.50 2hky n VAL 120 Cb 0.00 -0.25 -0.03 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 -2.20 3.02 0.00 7.34 0.04 -1.26 -2.03 135.00 139.92 2hky s PRO 121 Ca 0.52 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2hky s PRO 121 Cb -0.29 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2hky s PRO 121 CO 0.72 -2.60 0.00 1.55 0.04 0.00 0.00 177.00 176.71 2hky n VAL 122 N 7.07 0.00 -2.96 -0.36 3.14 -0.87 -4.10 118.33 120.25 2hky n VAL 122 Ca 0.24 0.10 -0.19 0.00 -2.96 0.00 0.00 64.34 61.53 2hky n VAL 122 Cb 0.50 -0.75 0.03 0.00 -1.06 0.00 0.00 33.84 32.56 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 -0.19 2.28 -0.27 1.45 5.65 -1.23 -4.57 115.29 118.41 2hky s HIS 123 Ca 0.00 -0.46 0.01 0.00 0.25 0.00 0.00 55.06 54.86 2hky s HIS 123 Cb 0.00 -2.39 0.06 0.00 -1.18 0.00 0.00 32.58 29.06 2hky s HIS 123 CO 0.00 -0.78 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.07 2hky s LEU 124 N -4.54 3.58 0.07 8.88 2.96 -1.26 0.07 118.68 128.45 2hky s LEU 124 Ca 0.58 -1.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 2hky s LEU 124 Cb -0.08 -1.61 -0.18 0.00 0.50 0.00 0.00 46.19 44.82 2hky s LEU 124 CO 0.36 -0.21 1.25 0.44 -1.32 0.00 0.00 176.35 176.87 2hky h ASP 125 N 7.85 0.79 -5.98 3.68 5.19 0.45 -3.47 116.42 124.94 2hky h ASP 125 Ca -0.20 -0.66 0.41 0.00 -0.62 0.00 0.00 57.03 55.96 2hky h ASP 125 Cb 1.05 -0.24 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 2hky h ASP 125 CO 0.49 1.33 1.01 0.00 -3.12 0.00 0.00 179.24 178.95 2hky s ARG 126 N -3.63 0.04 -0.08 3.56 1.70 -0.80 -4.96 118.95 114.79 2hky s ARG 126 Ca -0.11 -0.03 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 2hky s ARG 126 Cb 0.07 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2hky s ARG 126 CO 0.87 -0.02 -0.22 0.08 -1.08 0.00 0.00 175.30 174.93 2hky s VAL 127 N -2.00 2.31 0.00 4.99 1.01 -1.26 0.01 120.40 125.46 2hky s VAL 127 Ca 0.32 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2hky s VAL 127 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2hky s VAL 127 CO -0.03 0.56 0.43 -0.11 0.00 0.00 0.00 175.10 175.95