#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 -1.43 0.00 3.17 4.76 -1.26 -4.95 118.16 118.45 2hky n LYS 1 Ca 0.00 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 2hky n LYS 1 Cb 0.00 -3.88 0.00 0.00 -1.84 0.00 0.00 35.03 29.31 2hky n LYS 1 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2hky n PRO 2 N -2.32 2.03 -3.64 1.97 -0.02 -1.26 -5.07 135.00 126.70 2hky n PRO 2 Ca -0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 2hky n PRO 2 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.00 0.26 -0.01 -0.52 -2.85 -1.26 -4.89 119.74 110.46 2hky s LYS 3 Ca 0.00 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 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 3.54 0.29 2.73 0.59 0.00 -1.26 -4.82 105.19 106.26 2hky n GLY 4 Ca -0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.26 1.81 -0.89 1.61 2.81 -1.26 -4.78 117.12 115.16 2hky n MET 5 Ca -0.00 -3.54 -0.34 0.00 -1.81 0.00 0.00 57.70 52.01 2hky n MET 5 Cb 0.22 -1.61 0.08 0.00 -0.71 0.00 0.00 33.22 31.21 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 -0.50 0.00 -0.08 2.03 -1.04 -1.26 -3.98 114.28 109.44 2hky n THR 6 Ca 0.11 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 2hky n THR 6 Cb 0.81 -0.33 -0.08 0.00 -1.82 0.00 0.00 70.33 68.92 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 -1.30 -1.67 0.40 8.00 0.87 -1.96 0.34 113.55 118.23 2hky h SER 7 Ca -0.44 0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2hky h SER 7 Cb 1.29 0.68 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 2hky h SER 7 CO 0.29 -0.42 -0.40 0.28 -0.53 0.00 0.00 176.83 176.04 2hky h SER 8 N -0.45 0.00 0.17 6.23 0.02 -1.83 -2.30 113.55 115.39 2hky h SER 8 Ca 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2hky h SER 8 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2hky h SER 8 CO -0.53 0.40 -0.08 -0.61 -1.14 0.00 0.00 176.83 174.87 2hky h GLN 9 N 0.00 -0.22 -0.41 3.45 5.75 -1.20 0.29 115.11 122.76 2hky h GLN 9 Ca -0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2hky h GLN 9 Cb 0.71 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 2hky h GLN 9 CO 0.05 -0.02 0.17 2.35 -2.65 0.00 0.00 178.83 178.73 2hky h TRP 10 N -0.39 0.56 -0.00 3.99 -0.00 -0.34 -0.31 115.95 119.47 2hky h TRP 10 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2hky h TRP 10 Cb 0.30 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.28 2hky h TRP 10 CO -0.02 0.44 -0.04 1.19 -0.00 0.00 0.00 178.44 180.01 2hky n PHE 11 N -4.39 0.00 0.02 2.65 3.01 -0.87 -1.85 117.46 116.04 2hky n PHE 11 Ca 0.03 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.44 2hky n PHE 11 Cb 0.14 -0.33 -0.10 0.00 -0.01 0.00 0.00 39.48 39.17 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 0.08 0.00 0.00 -1.08 5.09 0.14 0.41 116.57 121.20 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 0.37 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.70 2hky h LYS 12 CO 0.00 0.50 -0.77 -0.84 -2.09 0.00 0.00 179.45 176.26 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.40 -1.83 117.51 117.42 2hky h ILE 13 Ca -0.18 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.31 2hky h ILE 13 Cb 1.78 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.85 2hky h ILE 13 CO 0.07 0.00 -1.51 0.00 -1.05 0.00 0.00 178.15 175.66 2hky n GLN 14 N -2.66 0.79 -0.24 0.16 10.64 -0.77 -4.69 117.38 120.61 2hky n GLN 14 Ca 0.01 -0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 2hky n GLN 14 Cb 0.53 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 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 -1.90 0.00 -4.62 2.61 8.25 0.14 -4.68 115.22 115.02 2hky n HIS 15 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2hky n HIS 15 Cb 0.40 0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 2hky n HIS 15 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2hky s MET 16 N 0.00 2.31 -0.14 -0.41 -1.94 -0.69 -0.41 119.30 118.02 2hky s MET 16 Ca 0.00 -0.85 0.18 0.00 -1.71 0.00 0.00 55.69 53.31 2hky s MET 16 Cb 0.00 -2.33 0.30 0.00 2.01 0.00 0.00 34.83 34.82 2hky s MET 16 CO 0.00 0.57 1.16 0.94 -0.01 0.00 0.00 175.02 177.68 2hky n GLN 17 N 1.66 1.30 0.20 2.03 7.27 1.11 -4.52 117.38 126.43 2hky n GLN 17 Ca -0.16 -2.65 0.15 0.00 0.07 0.00 0.00 57.00 54.40 2hky n GLN 17 Cb 0.52 -1.50 0.64 0.00 2.41 0.00 0.00 30.24 32.31 2hky n GLN 17 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2hky h PRO 18 N 0.14 0.00 0.00 3.69 0.13 -1.89 -3.42 132.00 130.65 2hky h PRO 18 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hky h PRO 18 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2hky h PRO 18 CO 0.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.64 2hky n SER 19 N -2.60 0.00 0.17 1.44 3.41 -1.26 -5.04 113.62 109.74 2hky n SER 19 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.72 2hky n SER 19 Cb 0.21 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2hky h PRO 20 N 0.00 0.00 -0.29 4.33 0.13 -1.80 -3.48 132.00 130.88 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 0.06 0.00 1.04 -0.23 0.00 0.00 178.00 178.87 2hky n GLN 21 N -2.97 0.00 -0.57 0.86 1.13 -1.26 -4.27 117.38 110.30 2hky n GLN 21 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2hky n GLN 21 Cb 0.57 -0.30 0.00 0.00 0.11 0.00 0.00 30.24 30.62 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 -0.15 -2.56 -0.12 -1.58 0.00 -1.26 -3.53 120.51 111.31 2hky n ALA 22 Ca 0.00 0.15 0.22 0.00 0.00 0.00 0.00 53.44 53.81 2hky n ALA 22 Cb 0.07 -0.80 0.65 0.00 0.00 0.00 0.00 19.45 19.37 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 0.11 -0.57 0.39 0.00 2.35 -1.81 0.43 115.58 116.48 2hky h ASN 24 Ca 0.36 0.14 -0.32 0.00 -0.55 0.00 0.00 56.30 55.93 2hky h ASN 24 Cb 1.26 0.32 0.02 0.00 0.05 0.00 0.00 38.32 39.97 2hky h ASN 24 CO -0.04 -0.20 -1.48 -1.28 -1.65 0.00 0.00 177.43 172.78 2hky h SER 25 N -0.09 0.61 -0.82 5.81 0.87 -0.62 -2.46 113.55 116.84 2hky h SER 25 Ca 0.19 -0.72 0.13 0.00 -1.23 0.00 0.00 61.79 60.16 2hky h SER 25 Cb 0.39 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 2hky h SER 25 CO -0.45 1.58 0.43 0.00 -0.53 0.00 0.00 176.83 177.85 2hky h ALA 26 N 0.33 1.21 0.00 6.23 0.00 0.38 0.45 119.26 127.86 2hky h ALA 26 Ca -0.24 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2hky h ALA 26 Cb 2.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2hky h ALA 26 CO 0.22 -0.05 -0.68 1.98 0.00 0.00 0.00 179.25 180.71 2hky h MET 27 N 0.65 0.00 -0.36 0.00 -1.53 -0.21 -2.93 114.93 110.54 2hky h MET 27 Ca 0.43 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.80 2hky h MET 27 Cb 0.56 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 2hky h MET 27 CO -0.33 0.68 0.28 0.87 0.14 0.00 0.00 176.91 178.54 2hky h LYS 28 N 0.00 0.00 0.00 0.39 1.79 0.38 0.95 116.57 120.08 2hky h LYS 28 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2hky h LYS 28 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2hky h LYS 28 CO 0.09 0.00 0.00 -0.97 -1.08 0.00 0.00 179.45 177.49 2hky h ASN 29 N 0.00 0.00 0.28 0.86 -0.73 -1.25 -2.77 115.58 111.97 2hky h ASN 29 Ca 0.17 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.01 2hky h ASN 29 Cb 0.72 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2hky h ASN 29 CO -0.00 0.00 -1.78 0.40 -0.37 0.00 0.00 177.43 175.68 2hky h ILE 30 N 0.00 0.87 0.00 2.57 2.04 0.67 -2.90 117.51 120.76 2hky h ILE 30 Ca 0.00 -2.55 -0.06 0.00 1.00 0.00 0.00 64.86 63.24 2hky h ILE 30 Cb 0.89 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 2hky h ILE 30 CO 0.00 0.81 -0.31 -0.55 0.00 0.00 0.00 178.15 178.10 2hky h ASN 31 N 0.07 0.00 0.54 1.72 -0.00 -0.53 0.18 115.58 117.56 2hky h ASN 31 Ca -0.34 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 55.68 2hky h ASN 31 Cb 2.04 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 40.37 2hky h ASN 31 CO 0.13 0.31 -1.28 0.07 -0.00 0.00 0.00 177.43 176.65 2hky h LYS 32 N 0.00 0.34 0.00 4.14 2.10 -1.59 0.54 116.57 122.10 2hky h LYS 32 Ca -0.00 -0.56 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2hky h LYS 32 Cb 0.72 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2hky h LYS 32 CO 0.04 1.26 -0.22 -2.39 -2.00 0.00 0.00 179.45 176.14 2hky n HIS 33 N -3.58 0.83 0.38 0.07 1.44 -1.02 -3.55 115.22 109.78 2hky n HIS 33 Ca -0.10 0.24 0.04 0.00 -2.01 0.00 0.00 57.72 55.89 2hky n HIS 33 Cb 1.03 -0.86 -0.02 0.00 0.12 0.00 0.00 29.99 30.27 2hky n HIS 33 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2hky n THR 34 N -2.23 0.00 -1.86 0.61 -2.24 0.62 -4.97 114.28 104.20 2hky n THR 34 Ca 0.05 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 2hky n THR 34 Cb 0.44 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.68 -1.54 -3.56 -0.78 4.76 0.18 -4.90 118.16 111.64 2hky n LYS 35 Ca 0.03 1.12 -0.11 0.00 -2.87 0.00 0.00 58.31 56.48 2hky n LYS 35 Cb 0.16 -5.59 -0.05 0.00 -1.84 0.00 0.00 35.03 27.71 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 -4.16 0.67 -0.69 1.97 6.06 -0.92 -5.01 118.95 116.88 2hky s ARG 36 Ca 0.00 0.08 -0.20 0.00 -2.50 0.00 0.00 55.73 53.10 2hky s ARG 36 Cb 0.00 0.31 0.10 0.00 0.06 0.00 0.00 34.95 35.42 2hky s ARG 36 CO 0.00 -0.23 0.88 0.00 -2.50 0.00 0.00 175.30 173.46 2hky n LYS 38 N 6.83 0.02 0.00 0.00 5.02 -1.26 -4.60 118.16 124.16 2hky n LYS 38 Ca -0.01 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2hky n LYS 38 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2hky n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2hky n ASP 39 N -1.61 0.00 -3.77 4.39 -0.08 -1.26 -4.91 116.55 109.31 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 0.64 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.99 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 0.83 -0.23 -2.67 1.98 -1.26 -0.34 118.68 116.98 2hky s LEU 40 Ca 0.00 0.56 -0.09 0.00 -2.89 0.00 0.00 54.13 51.71 2hky s LEU 40 Cb 0.00 1.08 0.10 0.00 0.66 0.00 0.00 46.19 48.03 2hky s LEU 40 CO 0.00 -0.15 0.50 0.20 -1.89 0.00 0.00 176.35 175.02 2hky s ASN 41 N -0.01 -0.59 0.10 3.68 0.01 -1.01 -4.95 114.94 112.17 2hky s ASN 41 Ca -0.02 1.18 0.02 0.00 -0.71 0.00 0.00 52.86 53.34 2hky s ASN 41 Cb -0.03 1.55 -0.04 0.00 0.41 0.00 0.00 41.25 43.15 2hky s ASN 41 CO 0.01 -0.22 0.18 0.42 -1.51 0.00 0.00 177.10 175.98 2hky s THR 42 N 2.47 5.02 0.16 1.60 -4.23 -1.26 -1.49 115.64 117.92 2hky s THR 42 Ca -0.04 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2hky s THR 42 Cb -0.11 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 2hky s THR 42 CO -0.15 0.04 0.02 -0.36 -0.54 0.00 0.00 174.62 173.62 2hky s PHE 43 N -1.58 1.12 0.16 3.99 0.40 0.88 -4.37 117.98 118.59 2hky s PHE 43 Ca 0.33 -1.07 0.11 0.00 -0.60 0.00 0.00 56.93 55.70 2hky s PHE 43 Cb -0.12 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 2hky s PHE 43 CO 0.26 -0.29 -0.25 -0.51 0.70 0.00 0.00 175.22 175.13 2hky s LEU 44 N -3.14 2.38 -0.85 -0.37 1.43 0.45 -0.13 118.68 118.45 2hky s LEU 44 Ca 0.24 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2hky s LEU 44 Cb 0.06 -1.20 0.28 0.00 0.03 0.00 0.00 46.19 45.36 2hky s LEU 44 CO 0.03 0.15 1.11 1.57 0.23 0.00 0.00 176.35 179.45 2hky n HIS 45 N 0.59 2.97 -3.70 0.29 -0.00 -0.58 0.36 115.22 115.15 2hky n HIS 45 Ca -0.15 -3.38 -0.11 0.00 0.46 0.00 0.00 57.72 54.54 2hky n HIS 45 Cb 0.54 -0.89 -0.10 0.00 -0.12 0.00 0.00 29.99 29.42 2hky n HIS 45 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2hky s GLU 46 N -2.67 0.44 0.01 1.57 2.56 -1.26 -4.62 118.70 114.73 2hky s GLU 46 Ca 0.36 0.79 -0.37 0.00 0.00 0.00 0.00 54.97 55.75 2hky s GLU 46 Cb 0.10 0.04 -0.16 0.00 2.00 0.00 0.00 34.13 36.12 2hky s GLU 46 CO 0.05 -0.14 1.52 -2.30 -0.56 0.00 0.00 175.26 173.82 2hky n PRO 47 N 4.00 1.42 0.29 4.30 -0.02 -1.26 -4.44 135.00 139.30 2hky n PRO 47 Ca -0.21 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 2hky n PRO 47 Cb 0.56 -2.21 0.20 0.00 -0.02 0.00 0.00 33.50 32.03 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 5.77 0.00 -0.00 6.00 0.04 -1.99 2.21 116.94 128.97 2hky h PHE 48 Ca -0.47 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.06 2hky h PHE 48 Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 2hky h PHE 48 CO 0.66 0.00 -0.97 0.77 -0.60 0.00 0.00 178.31 178.18 2hky h SER 49 N 0.00 0.64 0.12 2.17 0.02 -1.97 0.41 113.55 114.94 2hky h SER 49 Ca 0.00 -0.51 -0.25 0.00 -0.84 0.00 0.00 61.79 60.19 2hky h SER 49 Cb 1.53 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2hky h SER 49 CO 0.00 1.31 -1.21 0.28 -1.14 0.00 0.00 176.83 176.07 2hky h SER 50 N 0.28 0.41 0.05 3.07 0.02 0.33 -2.89 113.55 114.81 2hky h SER 50 Ca -0.09 -0.88 -0.04 0.00 -0.84 0.00 0.00 61.79 59.94 2hky h SER 50 Cb 1.61 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2hky h SER 50 CO 0.17 1.54 -0.12 0.58 -1.14 0.00 0.00 176.83 177.86 2hky h VAL 51 N -0.34 1.15 0.40 2.27 2.07 -1.07 0.25 116.25 120.98 2hky h VAL 51 Ca -0.25 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2hky h VAL 51 Cb 1.72 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2hky h VAL 51 CO 0.09 0.21 -0.30 0.00 0.02 0.00 0.00 177.57 177.58 2hky h ALA 52 N 1.72 -0.69 -0.18 1.67 0.00 -0.20 0.16 119.26 121.74 2hky h ALA 52 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2hky h ALA 52 Cb 0.32 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2hky h ALA 52 CO 0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 179.25 178.24 2hky h ALA 53 N -0.18 1.48 -0.41 0.00 0.00 -1.18 -1.09 119.26 117.88 2hky h ALA 53 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2hky h ALA 53 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hky h ALA 53 CO 0.00 0.37 0.27 1.15 0.00 0.00 0.00 179.25 181.04 2hky h THR 54 N 0.27 1.10 0.00 0.00 2.02 0.68 0.14 112.91 117.13 2hky h THR 54 Ca 0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2hky h THR 54 Cb 0.38 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2hky h THR 54 CO 0.02 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2hky n GLN 56 N 0.21 4.57 -1.26 0.00 7.27 0.50 -4.74 117.38 123.92 2hky n GLN 56 Ca 0.00 -0.01 -0.31 0.00 0.07 0.00 0.00 57.00 56.75 2hky n GLN 56 Cb 0.27 -0.79 0.09 0.00 2.41 0.00 0.00 30.24 32.23 2hky n GLN 56 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2hky s THR 57 N -1.60 3.28 -0.32 1.69 -1.32 -1.11 -4.82 115.64 111.44 2hky s THR 57 Ca 0.01 0.42 -0.33 0.00 -1.21 0.00 0.00 61.69 60.58 2hky s THR 57 Cb 0.04 -2.90 -0.14 0.00 -1.51 0.00 0.00 72.50 67.98 2hky s THR 57 CO 0.20 -0.54 1.10 -2.65 -2.21 0.00 0.00 174.62 170.52 2hky n PRO 58 N -3.55 0.00 -0.02 7.08 -0.02 -1.26 -4.68 135.00 132.54 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 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 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 2.66 1.40 -3.60 -0.52 2.85 -1.26 -4.31 118.16 115.39 2hky n LYS 59 Ca 0.21 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.33 2hky n LYS 59 Cb -0.03 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.29 2hky n LYS 59 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2hky s ILE 60 N 0.43 0.03 -0.92 0.58 -4.36 -1.22 -4.96 121.20 110.78 2hky s ILE 60 Ca 0.00 -0.26 -0.24 0.00 -0.26 0.00 0.00 60.65 59.89 2hky s ILE 60 Cb 0.00 -0.94 -0.20 0.00 1.25 0.00 0.00 42.46 42.57 2hky s ILE 60 CO 0.00 -0.14 2.07 0.00 0.24 0.00 0.00 174.94 177.11 2hky n ALA 61 N 0.59 0.27 -0.67 2.27 0.00 -1.26 -2.79 120.51 118.92 2hky n ALA 61 Ca -0.19 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2hky n ALA 61 Cb 0.59 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 -1.56 0.00 -0.73 0.00 4.76 -1.26 -4.80 118.16 114.57 2hky n LYS 63 Ca 0.00 0.45 -0.01 0.00 -2.87 0.00 0.00 58.31 55.88 2hky n LYS 63 Cb 0.00 -1.09 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 2hky n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hky n ASN 64 N -1.86 -0.09 0.00 4.39 5.03 -1.25 -4.89 115.26 116.58 2hky n ASN 64 Ca 0.00 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.87 2hky n ASN 64 Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hky n GLY 65 N 0.06 -0.53 0.36 7.41 0.00 -1.26 -5.00 105.19 106.23 2hky n GLY 65 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.60 -6.27 1.61 3.32 -1.83 -3.45 116.42 110.39 2hky h ASP 66 Ca 0.00 0.01 -0.46 0.00 0.02 0.00 0.00 57.03 56.61 2hky h ASP 66 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2hky h ASP 66 CO 0.00 0.36 -0.84 0.29 -1.72 0.00 0.00 179.24 177.33 2hky n LYS 67 N -4.49 -4.36 0.00 3.56 5.02 -1.12 -4.79 118.16 111.98 2hky n LYS 67 Ca 0.12 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2hky n LYS 67 Cb 0.31 -4.98 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 -1.71 -0.52 0.00 0.00 177.40 175.17 2hky n ASN 68 N -3.00 0.63 -4.93 4.39 5.15 -1.24 -4.72 115.26 111.54 2hky n ASN 68 Ca -0.26 -0.83 -0.25 0.00 -0.60 0.00 0.00 54.58 52.65 2hky n ASN 68 Cb 0.66 0.29 0.01 0.00 -0.53 0.00 0.00 39.78 40.21 2hky n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hky s HIS 70 N -2.63 -0.67 -0.01 0.00 3.76 -0.00 -3.42 115.29 112.32 2hky s HIS 70 Ca 0.47 1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 56.51 2hky s HIS 70 Cb -0.10 0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.69 2hky s HIS 70 CO 0.40 -0.47 0.40 -1.14 -0.85 0.00 0.00 174.74 173.08 2hky s GLN 71 N 2.54 3.91 0.54 1.40 -0.44 -1.26 -0.74 119.66 125.62 2hky s GLN 71 Ca 0.01 0.39 -0.22 0.00 -2.50 0.00 0.00 55.36 53.04 2hky s GLN 71 Cb -0.12 -3.22 -0.05 0.00 -1.64 0.00 0.00 33.01 27.97 2hky s GLN 71 CO -0.12 0.68 1.29 0.45 0.50 0.00 0.00 175.29 178.09 2hky n SER 72 N 1.87 2.36 -0.73 6.67 2.88 0.45 -4.80 113.62 122.32 2hky n SER 72 Ca -0.14 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2hky n SER 72 Cb 0.52 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2hky n SER 72 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2hky n HIS 73 N -1.06 0.00 -1.08 0.66 8.25 -1.26 -4.77 115.22 115.96 2hky n HIS 73 Ca 0.11 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2hky n HIS 73 Cb 0.44 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 0.25 -1.81 3.67 -1.41 0.00 -1.26 -5.12 105.19 99.52 2hky n GLY 74 Ca 0.00 -1.12 -0.43 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 -1.69 4.29 -0.09 1.61 0.04 -1.26 -3.27 135.00 134.63 2hky s PRO 75 Ca 0.00 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2hky s PRO 75 Cb 0.00 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 2hky s PRO 75 CO 0.00 -0.58 0.01 0.54 0.04 0.00 0.00 177.00 177.00 2hky s VAL 76 N 2.92 4.37 -0.98 -0.36 0.11 -0.76 -4.67 120.40 121.02 2hky s VAL 76 Ca 0.54 -0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 59.11 2hky s VAL 76 Cb -0.22 -2.84 -0.15 0.00 -1.53 0.00 0.00 36.38 31.63 2hky s VAL 76 CO 0.17 0.60 2.15 -0.44 -3.33 0.00 0.00 175.10 174.26 2hky s SER 77 N -0.87 4.08 0.75 3.54 0.01 -1.26 -2.32 113.70 117.63 2hky s SER 77 Ca 0.13 -0.73 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 2hky s SER 77 Cb -0.11 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.69 2hky s SER 77 CO 0.02 -3.93 1.03 -1.48 0.41 0.00 0.00 173.24 169.29 2hky s LEU 78 N 14.37 2.93 -0.20 2.44 0.05 0.15 -1.53 118.68 136.88 2hky s LEU 78 Ca 0.81 -0.49 -0.05 0.00 0.05 0.00 0.00 54.13 54.46 2hky s LEU 78 Cb -0.07 -1.74 0.07 0.00 -2.05 0.00 0.00 46.19 42.40 2hky s LEU 78 CO 0.11 -1.99 0.11 -0.89 -0.55 0.00 0.00 176.35 173.15 2hky s THR 79 N -3.19 -0.11 -0.49 5.48 2.01 0.81 -0.55 115.64 119.59 2hky s THR 79 Ca 0.68 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.18 2hky s THR 79 Cb -0.04 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.84 2hky s THR 79 CO 0.45 -0.36 0.84 -0.04 -0.69 0.00 0.00 174.62 174.82 2hky s MET 80 N 2.15 3.36 0.13 4.92 -1.94 0.87 -0.08 119.30 128.71 2hky s MET 80 Ca 0.04 -0.23 -0.05 0.00 -1.71 0.00 0.00 55.69 53.74 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 -0.15 -1.27 0.37 0.00 -0.01 0.00 0.00 175.02 173.96 2hky s LYS 82 N -2.58 0.72 -0.43 0.00 -2.85 -1.05 -2.41 119.74 111.13 2hky s LYS 82 Ca 0.40 -1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 54.04 2hky s LYS 82 Cb -0.12 -0.37 0.01 0.00 -2.06 0.00 0.00 37.83 35.29 2hky s LYS 82 CO 0.24 0.05 1.43 -1.17 0.10 0.00 0.00 175.35 176.00 2hky s LEU 83 N -2.25 3.55 0.03 2.77 2.96 0.54 -2.22 118.68 124.06 2hky s LEU 83 Ca 0.01 0.76 -0.25 0.00 -0.22 0.00 0.00 54.13 54.43 2hky s LEU 83 Cb -0.04 -3.46 -0.18 0.00 0.50 0.00 0.00 46.19 43.01 2hky s LEU 83 CO -0.01 -1.50 1.47 0.71 -1.32 0.00 0.00 176.35 175.70 2hky h THR 84 N 6.48 1.16 0.00 3.68 1.35 -1.03 -3.48 112.91 121.07 2hky h THR 84 Ca -0.28 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2hky h THR 84 Cb 1.11 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2hky h THR 84 CO 1.10 0.15 0.00 -1.20 -0.25 0.00 0.00 175.52 175.32 2hky n SER 85 N -4.98 0.00 0.00 5.36 7.64 -1.11 -5.00 113.62 115.53 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 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.01 -0.21 0.00 0.23 0.00 -1.26 -2.51 105.19 100.43 2hky n GLY 86 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2hky n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hky n LYS 87 N 0.00 0.00 -0.14 1.61 2.85 -1.25 -4.82 118.16 116.42 2hky n LYS 87 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 2hky n LYS 87 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2hky n LYS 87 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2hky n TYR 88 N 0.82 0.05 1.81 5.58 9.36 -1.26 -3.41 117.16 130.10 2hky n TYR 88 Ca 0.00 0.02 0.13 0.00 3.32 0.00 0.00 57.90 61.37 2hky n TYR 88 Cb 0.00 -1.00 0.67 0.00 -0.63 0.00 0.00 39.34 38.38 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 -4.11 1.21 -2.09 2.98 -0.04 -1.26 -3.93 135.00 127.77 2hky n PRO 89 Ca -0.53 -0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 62.60 2hky n PRO 89 Cb 0.90 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.55 -0.07 -4.70 3.54 5.15 -1.26 -5.10 115.26 112.27 2hky n ASN 90 Ca 0.19 -2.07 -0.41 0.00 -0.60 0.00 0.00 54.58 51.69 2hky n ASN 90 Cb 0.17 0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.47 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 1.45 3.52 0.31 0.00 1.70 -1.04 -4.92 118.95 119.98 2hky s ARG 92 Ca 0.42 -0.43 0.08 0.00 -0.47 0.00 0.00 55.73 55.34 2hky s ARG 92 Cb -0.18 -2.96 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 2hky s ARG 92 CO 0.18 0.41 0.14 0.71 -1.08 0.00 0.00 175.30 175.66 2hky s TYR 93 N -0.07 2.77 -0.05 5.89 1.51 -1.26 -0.39 117.35 125.75 2hky s TYR 93 Ca 0.04 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 2hky s TYR 93 Cb -0.13 -1.54 -0.01 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 0.00 175.55 174.75 2hky s LYS 94 N -3.83 2.41 -0.16 -0.62 -0.14 -0.94 -3.88 119.74 112.57 2hky s LYS 94 Ca 0.36 -0.91 -0.18 0.00 -1.36 0.00 0.00 55.97 53.88 2hky s LYS 94 Cb -0.04 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 2hky s LYS 94 CO 0.23 0.44 0.47 -1.83 -0.76 0.00 0.00 175.35 173.90 2hky s GLU 95 N -0.31 4.25 -0.33 1.68 -1.05 -1.26 -2.54 118.70 119.14 2hky s GLU 95 Ca 0.01 0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 55.18 2hky s GLU 95 Cb -0.12 -3.50 0.06 0.00 -0.44 0.00 0.00 34.13 30.12 2hky s GLU 95 CO 0.02 0.01 0.07 0.21 0.95 0.00 0.00 175.26 176.52 2hky s LYS 96 N 1.12 2.40 -0.40 -4.83 2.47 -0.82 -4.97 119.74 114.70 2hky s LYS 96 Ca 0.24 -1.35 -0.29 0.00 -1.56 0.00 0.00 55.97 53.01 2hky s LYS 96 Cb -0.15 -3.34 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2hky s LYS 96 CO 0.09 -0.72 1.45 0.50 0.16 0.00 0.00 175.35 176.83 2hky s ARG 97 N 1.27 3.55 0.38 4.03 3.52 -1.26 -0.09 118.95 130.34 2hky s ARG 97 Ca -0.02 0.98 0.08 0.00 -0.13 0.00 0.00 55.73 56.65 2hky s ARG 97 Cb -0.20 -4.04 -0.07 0.00 -1.56 0.00 0.00 34.95 29.08 2hky s ARG 97 CO -0.01 -1.59 -0.02 -1.14 -0.81 0.00 0.00 175.30 171.73 2hky s GLN 98 N 5.01 1.93 -0.23 5.12 2.00 0.29 -4.95 119.66 128.82 2hky s GLN 98 Ca 0.63 -1.99 -0.01 0.00 -2.00 0.00 0.00 55.36 52.00 2hky s GLN 98 Cb -0.14 -1.72 0.06 0.00 0.80 0.00 0.00 33.01 32.01 2hky s GLN 98 CO 0.33 0.04 -0.01 0.54 -0.50 0.00 0.00 175.29 175.70 2hky s ASN 99 N -3.68 3.55 0.05 6.67 2.20 -1.26 0.31 114.94 122.77 2hky s ASN 99 Ca 0.34 -1.11 -0.24 0.00 -0.94 0.00 0.00 52.86 50.91 2hky s ASN 99 Cb 0.05 -0.95 0.06 0.00 -2.00 0.00 0.00 41.25 38.41 2hky s ASN 99 CO 0.18 -0.28 0.56 -0.54 -2.94 0.00 0.00 177.10 174.07 2hky s LYS 100 N 1.57 1.07 -0.33 3.55 1.02 -0.98 -4.73 119.74 120.91 2hky s LYS 100 Ca -0.02 -0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.52 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 -0.08 -0.39 0.97 -1.12 -0.92 0.00 0.00 175.35 173.80 2hky s SER 101 N -1.94 6.80 0.16 2.83 0.01 -1.20 -1.83 113.70 118.53 2hky s SER 101 Ca -0.05 0.83 0.03 0.00 1.31 0.00 0.00 55.95 58.07 2hky s SER 101 Cb -0.01 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.76 2hky s SER 101 CO -0.01 -0.81 0.21 0.00 0.41 0.00 0.00 173.24 173.04 2hky n TYR 102 N 6.68 -2.66 -3.83 2.43 0.18 -1.26 -0.13 117.16 118.57 2hky n TYR 102 Ca 0.09 -0.60 -0.29 0.00 1.88 0.00 0.00 57.90 58.98 2hky n TYR 102 Cb 0.48 -0.15 -0.16 0.00 -0.38 0.00 0.00 39.34 39.12 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 -0.08 0.98 0.06 -3.48 1.01 0.11 -0.41 120.40 118.59 2hky s VAL 103 Ca 0.16 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.38 2hky s VAL 103 Cb -0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2hky s VAL 103 CO 0.10 -0.12 -0.09 0.54 0.00 0.00 0.00 175.10 175.53 2hky s VAL 104 N 1.65 3.46 0.53 2.92 0.11 0.08 0.31 120.40 129.46 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 -0.17 -2.56 0.02 0.00 -1.53 0.00 0.00 36.38 32.13 2hky s VAL 104 CO -0.07 0.25 0.77 0.00 -3.33 0.00 0.00 175.10 172.72 2hky s ALA 105 N -1.10 3.67 0.13 1.54 0.00 0.12 -0.82 121.76 125.29 2hky s ALA 105 Ca 0.19 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2hky s ALA 105 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2hky s ALA 105 CO 0.11 -0.64 -0.17 0.00 0.00 0.00 0.00 175.76 175.05 2hky s LYS 107 N -2.47 0.88 0.23 0.00 -0.14 -0.81 -4.87 119.74 112.56 2hky s LYS 107 Ca 0.10 -0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 2hky s LYS 107 Cb -0.07 0.36 -0.09 0.00 -1.68 0.00 0.00 37.83 36.35 2hky s LYS 107 CO 0.05 -0.29 1.25 -1.25 -0.76 0.00 0.00 175.35 174.34 2hky s PRO 108 N -3.86 4.45 -0.45 -1.68 0.04 -1.26 -0.18 135.00 132.05 2hky s PRO 108 Ca 0.05 1.99 -0.37 0.00 0.04 0.00 0.00 61.00 62.72 2hky s PRO 108 Cb 0.04 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 31.26 2hky s PRO 108 CO -0.11 -0.13 2.23 -2.30 0.04 0.00 0.00 177.00 176.74 2hky n PRO 109 N 2.08 0.66 0.00 0.56 -0.02 -1.26 -4.86 135.00 132.16 2hky n PRO 109 Ca 0.04 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2hky n PRO 109 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 8.06 0.00 0.00 -0.52 1.13 -1.26 -4.73 117.38 120.06 2hky n GLN 110 Ca 0.47 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2hky n GLN 110 Cb 0.15 -0.30 0.00 0.00 0.11 0.00 0.00 30.24 30.20 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 0.00 0.90 -0.35 -1.09 4.76 -1.26 -4.74 118.16 116.38 2hky n LYS 111 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2hky n LYS 111 Cb 0.00 -0.75 0.10 0.00 -1.84 0.00 0.00 35.03 32.54 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 1.23 -1.49 1.97 3.11 -1.93 -3.47 116.57 115.99 2hky h LYS 112 Ca 0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2hky h LYS 112 Cb 0.49 -0.28 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2hky h LYS 112 CO 0.00 0.82 -0.04 -3.47 -2.81 0.00 0.00 179.45 173.94 2hky n ASP 113 N -4.43 -1.60 0.28 4.20 2.03 -1.26 -4.69 116.55 111.08 2hky n ASP 113 Ca 0.11 0.18 0.12 0.00 0.52 0.00 0.00 54.79 55.72 2hky n ASP 113 Cb 0.01 -0.33 0.79 0.00 -0.72 0.00 0.00 41.12 40.87 2hky n ASP 113 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2hky h SER 114 N 2.44 0.00 0.00 1.67 0.02 -1.99 -3.41 113.55 112.28 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2hky h SER 114 CO 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 2hky n GLN 115 N -4.00 0.00 0.00 3.45 6.02 -1.26 -5.05 117.38 116.54 2hky n GLN 115 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2hky n GLN 115 Cb 0.12 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.38 2hky n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hky n GLN 116 N -2.93 0.00 0.00 -1.09 10.64 -1.26 -5.06 117.38 117.67 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 -0.05 2.61 3.01 -1.26 -4.58 117.46 117.19 2hky n PHE 117 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hky n PHE 117 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hky n PHE 117 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2hky n HIS 118 N 0.00 0.00 0.00 1.38 -0.00 -1.26 -4.84 115.22 110.50 2hky n HIS 118 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hky n HIS 118 Cb 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 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 -3.52 0.27 -0.00 -1.11 -4.56 117.00 108.08 2hky n LEU 119 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 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 -0.88 1.33 -0.00 0.00 0.00 177.39 177.84 2hky n VAL 120 N 0.00 0.00 -2.43 1.47 0.24 0.74 -3.79 118.33 114.56 2hky n VAL 120 Ca 0.00 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.48 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 -1.34 3.18 0.00 7.34 0.04 -1.26 -1.93 135.00 141.03 2hky s PRO 121 Ca 0.41 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2hky s PRO 121 Cb -0.27 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.58 2hky s PRO 121 CO 0.65 -2.38 0.00 1.55 0.04 0.00 0.00 177.00 176.86 2hky n VAL 122 N 6.82 0.00 -2.59 -0.36 3.14 -0.85 -3.97 118.33 120.52 2hky n VAL 122 Ca 0.19 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.35 2hky n VAL 122 Cb 0.50 -0.53 0.04 0.00 -1.06 0.00 0.00 33.84 32.79 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 2.90 -0.28 1.45 2.46 -1.23 -4.58 115.29 116.01 2hky s HIS 123 Ca 0.00 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.62 2hky s HIS 123 Cb 0.00 -2.79 0.05 0.00 -0.13 0.00 0.00 32.58 29.71 2hky s HIS 123 CO 0.00 -0.92 -0.05 -1.17 -2.47 0.00 0.00 174.74 170.14 2hky s LEU 124 N -4.83 3.68 -0.03 8.88 0.20 -1.26 0.12 118.68 125.45 2hky s LEU 124 Ca 0.57 -1.30 -0.24 0.00 0.69 0.00 0.00 54.13 53.85 2hky s LEU 124 Cb -0.10 -1.64 -0.21 0.00 -0.43 0.00 0.00 46.19 43.81 2hky s LEU 124 CO 0.39 -0.23 1.15 0.44 -0.29 0.00 0.00 176.35 177.82 2hky h ASP 125 N 7.91 0.19 -5.75 3.68 5.19 0.44 -3.47 116.42 124.62 2hky h ASP 125 Ca -0.21 -0.64 0.31 0.00 -0.62 0.00 0.00 57.03 55.87 2hky h ASP 125 Cb 1.06 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.45 2hky h ASP 125 CO 0.51 0.80 0.84 0.00 -3.12 0.00 0.00 179.24 178.27 2hky s ARG 126 N -3.65 0.58 -0.06 3.56 1.70 -0.83 -4.96 118.95 115.29 2hky s ARG 126 Ca -0.16 -0.38 0.04 0.00 -0.47 0.00 0.00 55.73 54.77 2hky s ARG 126 Cb 0.02 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 2hky s ARG 126 CO 0.72 -0.27 -0.19 0.08 -1.08 0.00 0.00 175.30 174.56 2hky s VAL 127 N -2.03 2.59 0.00 4.99 1.01 -1.26 0.08 120.40 125.78 2hky s VAL 127 Ca 0.29 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2hky s VAL 127 Cb -0.01 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2hky s VAL 127 CO 0.01 0.57 0.43 -0.11 0.00 0.00 0.00 175.10 176.00