#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n ALA 4 N 0.00 -2.21 -1.06 2.41 0.00 -1.26 -4.95 120.51 113.44 2hgu n ALA 4 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2hgu n ALA 4 Cb 0.00 -4.81 0.25 0.00 0.00 0.00 0.00 19.45 14.88 2hgu n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2hgu n TYR 5 N -2.90 0.94 0.00 0.00 0.18 -1.26 -4.97 117.16 109.15 2hgu n TYR 5 Ca -0.06 -0.99 0.00 0.00 1.88 0.00 0.00 57.90 58.74 2hgu n TYR 5 Cb 0.60 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 39.22 2hgu n TYR 5 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2hgu n ASP 6 N -0.65 0.00 -4.70 9.48 5.75 -1.26 -4.77 116.55 120.40 2hgu n ASP 6 Ca 0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.59 2hgu n ASP 6 Cb 0.91 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.97 2hgu n ASP 6 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hgu s VAL 7 N 0.00 2.27 -0.25 2.12 0.11 -1.26 -4.84 120.40 118.55 2hgu s VAL 7 Ca 0.00 0.01 0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2hgu s VAL 7 Cb 0.00 -3.00 0.34 0.00 -1.53 0.00 0.00 36.38 32.18 2hgu s VAL 7 CO 0.00 0.00 1.38 2.30 -3.33 0.00 0.00 175.10 175.46 2hgu n ILE 8 N 4.40 0.12 -3.96 7.04 -5.35 -1.26 -5.02 119.36 115.33 2hgu n ILE 8 Ca 0.17 -0.97 -0.09 0.00 -0.27 0.00 0.00 62.75 61.59 2hgu n ILE 8 Cb 0.37 0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 2hgu n ILE 8 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hgu s LEU 9 N -3.13 0.20 -0.28 7.28 1.02 -1.26 -0.77 118.68 121.74 2hgu s LEU 9 Ca 0.10 -0.90 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 2hgu s LEU 9 Cb 0.34 2.06 0.17 0.00 0.02 0.00 0.00 46.19 48.77 2hgu s LEU 9 CO -0.10 -1.24 0.50 0.00 0.02 0.00 0.00 176.35 175.54 2hgu s ALA 10 N -3.84 -1.75 0.48 4.21 0.00 -0.27 -4.98 121.76 115.61 2hgu s ALA 10 Ca 0.20 1.40 -0.21 0.00 0.00 0.00 0.00 51.96 53.34 2hgu s ALA 10 Cb -0.02 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 2hgu s ALA 10 CO 0.09 -1.32 0.75 -2.30 0.00 0.00 0.00 175.76 172.97 2hgu n PRO 11 N 5.40 0.84 -2.97 0.00 -0.02 -1.26 -0.96 135.00 136.03 2hgu n PRO 11 Ca -0.02 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 2hgu n PRO 11 Cb 0.51 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 2hgu n PRO 11 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hgu s VAL 12 N -1.48 4.69 -0.19 -1.45 1.01 -0.02 -4.54 120.40 118.41 2hgu s VAL 12 Ca 0.66 0.56 0.16 0.00 0.00 0.00 0.00 61.98 63.36 2hgu s VAL 12 Cb -0.52 -4.28 0.55 0.00 0.00 0.00 0.00 36.38 32.13 2hgu s VAL 12 CO 0.55 -0.62 1.45 0.18 0.00 0.00 0.00 175.10 176.66 2hgu n LEU 13 N 6.60 4.05 -4.77 3.92 4.77 -1.26 -4.70 117.00 125.60 2hgu n LEU 13 Ca 0.02 -3.05 -0.32 0.00 -0.03 0.00 0.00 56.01 52.63 2hgu n LEU 13 Cb 0.48 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2hgu n LEU 13 CO 0.57 0.70 0.72 -0.94 -1.33 0.00 0.00 177.39 177.10 2hgu s SER 14 N -1.88 4.87 0.00 -1.43 1.04 -1.26 -4.89 113.70 110.15 2hgu s SER 14 Ca 0.43 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.75 2hgu s SER 14 Cb 0.35 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2hgu s SER 14 CO 0.09 -1.79 0.44 1.21 0.98 0.00 0.00 173.24 174.17 2hgu n GLU 15 N -2.96 0.00 -0.38 4.02 4.07 -1.26 -1.66 120.64 122.48 2hgu n GLU 15 Ca 0.10 0.33 0.30 0.00 -0.06 0.00 0.00 57.16 57.83 2hgu n GLU 15 Cb 0.53 -0.94 0.59 0.00 -0.06 0.00 0.00 31.44 31.55 2hgu n GLU 15 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 2hgu h LYS 16 N 0.00 0.22 -1.23 5.31 5.09 -2.01 1.38 116.57 125.33 2hgu h LYS 16 Ca 0.00 -0.01 0.36 0.00 0.09 0.00 0.00 60.65 61.09 2hgu h LYS 16 Cb 0.00 -0.05 -0.09 0.00 0.10 0.00 0.00 32.23 32.19 2hgu h LYS 16 CO 0.00 0.15 0.82 0.00 -2.09 0.00 0.00 179.45 178.33 2hgu h ALA 17 N 1.59 2.70 0.09 0.07 0.00 -1.67 -2.56 119.26 119.49 2hgu h ALA 17 Ca 0.70 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.66 2hgu h ALA 17 Cb 2.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 2hgu h ALA 17 CO -0.33 -1.18 -0.34 1.88 0.00 0.00 0.00 179.25 179.28 2hgu h TYR 18 N 0.18 -1.00 -0.59 0.00 -1.99 0.22 -3.08 116.97 110.72 2hgu h TYR 18 Ca 0.69 0.03 0.12 0.00 2.00 0.00 0.00 58.73 61.56 2hgu h TYR 18 Cb 2.18 0.42 -0.11 0.00 2.00 0.00 0.00 36.73 41.22 2hgu h TYR 18 CO -0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 178.16 177.62 2hgu n ALA 19 N -2.75 0.13 -0.33 3.88 0.00 -0.96 0.18 120.51 120.65 2hgu n ALA 19 Ca -0.06 0.64 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 2hgu n ALA 19 Cb 0.27 -0.38 0.16 0.00 0.00 0.00 0.00 19.45 19.49 2hgu n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgu h GLY 20 N 0.00 1.32 1.21 0.00 0.00 -1.64 0.41 103.07 104.36 2hgu h GLY 20 Ca 0.28 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2hgu h GLY 20 CO -0.60 0.47 0.17 0.74 0.00 0.00 0.00 176.54 177.31 2hgu h PHE 21 N 1.25 1.02 -0.30 5.60 0.05 0.25 0.49 116.94 125.30 2hgu h PHE 21 Ca 0.35 -0.10 0.02 0.00 3.82 0.00 0.00 57.97 62.05 2hgu h PHE 21 Cb -0.12 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 37.51 2hgu h PHE 21 CO -0.00 0.83 0.16 0.00 -0.18 0.00 0.00 178.31 179.12 2hgu h ALA 22 N 1.24 0.37 0.00 2.45 0.00 0.64 -3.40 119.26 120.56 2hgu h ALA 22 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2hgu h ALA 22 Cb 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2hgu h ALA 22 CO -0.00 -0.22 -0.42 -0.85 0.00 0.00 0.00 179.25 177.76 2hgu n GLU 23 N -4.94 0.34 0.00 0.00 -0.00 -0.44 -5.06 120.64 110.54 2hgu n GLU 23 Ca -0.01 -1.50 0.00 0.00 -0.00 0.00 0.00 57.16 55.65 2hgu n GLU 23 Cb 0.06 -0.73 0.00 0.00 -0.00 0.00 0.00 31.44 30.77 2hgu n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgu n GLY 24 N -0.34 0.83 3.69 -1.84 0.00 0.10 -4.98 105.19 102.66 2hgu n GLY 24 Ca 0.05 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2hgu n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu s LYS 25 N 0.00 4.20 -0.13 1.61 1.02 -0.84 -0.95 119.74 124.65 2hgu s LYS 25 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.12 2hgu s LYS 25 Cb 0.00 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 2hgu s LYS 25 CO 0.00 0.06 -0.12 0.71 -0.92 0.00 0.00 175.35 175.08 2hgu s TYR 26 N 1.01 2.84 -0.27 3.18 1.51 -0.09 -1.96 117.35 123.57 2hgu s TYR 26 Ca 0.18 -0.53 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 2hgu s TYR 26 Cb -0.14 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2hgu s TYR 26 CO 0.07 -0.13 0.50 0.95 -1.11 0.00 0.00 175.55 175.83 2hgu s THR 27 N 0.23 5.07 0.28 -0.71 -4.23 -1.26 -1.16 115.64 113.85 2hgu s THR 27 Ca -0.07 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 2hgu s THR 27 Cb -0.15 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 2hgu s THR 27 CO 0.05 0.07 0.07 -0.36 -0.54 0.00 0.00 174.62 173.92 2hgu s PHE 28 N 2.30 1.70 -0.13 3.99 0.08 0.23 -0.84 117.98 125.32 2hgu s PHE 28 Ca 0.21 -1.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 2hgu s PHE 28 Cb -0.16 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2hgu s PHE 28 CO 0.09 -0.18 0.03 -1.58 -0.10 0.00 0.00 175.22 173.48 2hgu s TRP 29 N -3.55 3.21 0.18 0.36 0.52 -0.14 -0.96 118.94 118.56 2hgu s TRP 29 Ca 0.37 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.66 2hgu s TRP 29 Cb 0.08 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 2hgu s TRP 29 CO 0.14 0.32 -0.13 0.14 0.02 0.00 0.00 176.95 177.45 2hgu s VAL 30 N -0.34 1.48 -0.34 4.03 -7.23 -0.15 -1.12 120.40 116.73 2hgu s VAL 30 Ca 0.08 -2.13 -0.39 0.00 -1.81 0.00 0.00 61.98 57.73 2hgu s VAL 30 Cb -0.12 -1.94 -0.14 0.00 0.56 0.00 0.00 36.38 34.73 2hgu s VAL 30 CO 0.02 -0.66 1.97 1.57 -0.31 0.00 0.00 175.10 177.69 2hgu n HIS 31 N -0.27 1.77 -1.52 2.82 -0.00 0.05 -4.44 115.22 113.62 2hgu n HIS 31 Ca -0.09 0.47 -0.40 0.00 0.46 0.00 0.00 57.72 58.16 2hgu n HIS 31 Cb 0.60 -2.47 -0.08 0.00 -0.12 0.00 0.00 29.99 27.93 2hgu n HIS 31 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2hgu n PRO 32 N 6.76 0.70 0.00 1.57 -0.02 -1.26 -0.73 135.00 142.02 2hgu n PRO 32 Ca 0.36 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2hgu n PRO 32 Cb 0.14 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 2hgu n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2hgu n LYS 33 N 8.72 0.00 -1.56 -0.52 0.00 -1.26 -5.08 118.16 118.45 2hgu n LYS 33 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.65 2hgu n LYS 33 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.27 2hgu n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hgu n ALA 34 N 0.00 0.29 -0.19 3.14 0.00 0.09 -4.92 120.51 118.92 2hgu n ALA 34 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 53.44 51.75 2hgu n ALA 34 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 19.45 16.16 2hgu n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgu n THR 35 N 8.87 0.00 -0.16 0.00 -1.04 -1.26 -4.03 114.28 116.67 2hgu n THR 35 Ca 0.45 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 62.26 2hgu n THR 35 Cb 0.44 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 2hgu n THR 35 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2hgu h LYS 36 N -0.11 0.96 -0.24 -2.82 1.63 -1.96 0.10 116.57 114.14 2hgu h LYS 36 Ca -0.08 -0.41 -0.08 0.00 -0.85 0.00 0.00 60.65 59.24 2hgu h LYS 36 Cb 0.24 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2hgu h LYS 36 CO 0.05 1.07 -0.18 1.79 -3.45 0.00 0.00 179.45 178.74 2hgu h THR 37 N 0.80 1.24 -0.20 1.00 1.35 -1.98 -0.65 112.91 114.46 2hgu h THR 37 Ca 0.11 -1.08 0.04 0.00 -0.55 0.00 0.00 66.41 64.93 2hgu h THR 37 Cb 0.77 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.42 2hgu h THR 37 CO 0.06 0.34 -0.04 -0.08 -0.25 0.00 0.00 175.52 175.56 2hgu h GLU 38 N 0.38 0.02 -0.16 4.72 4.57 -1.42 -0.36 114.58 122.32 2hgu h GLU 38 Ca 0.07 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2hgu h GLU 38 Cb 0.54 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2hgu h GLU 38 CO 0.04 0.01 0.03 0.82 -1.18 0.00 0.00 179.01 178.72 2hgu h ILE 39 N 0.02 0.92 -0.48 2.32 2.04 -0.41 -0.15 117.51 121.77 2hgu h ILE 39 Ca 0.10 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2hgu h ILE 39 Cb 0.14 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 2hgu h ILE 39 CO -0.20 0.02 -0.02 0.11 0.00 0.00 0.00 178.15 178.06 2hgu h LYS 40 N 0.09 0.09 0.24 2.37 1.57 -0.61 0.27 116.57 120.59 2hgu h LYS 40 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2hgu h LYS 40 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2hgu h LYS 40 CO -0.10 0.06 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.62 2hgu h ASN 41 N 0.09 -0.87 0.12 0.86 2.35 -0.46 0.53 115.58 118.21 2hgu h ASN 41 Ca 0.24 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.08 2hgu h ASN 41 Cb 0.36 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 2hgu h ASN 41 CO -0.41 -0.38 -0.41 0.00 -1.65 0.00 0.00 177.43 174.58 2hgu h ALA 42 N -1.16 -0.72 0.36 -0.83 0.00 -0.88 0.07 119.26 116.10 2hgu h ALA 42 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2hgu h ALA 42 Cb 0.50 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2hgu h ALA 42 CO -0.08 -0.97 -0.37 0.28 0.00 0.00 0.00 179.25 178.11 2hgu h VAL 43 N -0.64 0.00 -0.04 0.00 2.07 -0.97 0.12 116.25 116.78 2hgu h VAL 43 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 2hgu h VAL 43 Cb 0.67 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2hgu h VAL 43 CO -0.24 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 176.74 2hgu h GLU 44 N -0.73 -0.39 0.39 1.57 5.08 -0.89 0.19 114.58 119.80 2hgu h GLU 44 Ca -0.05 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2hgu h GLU 44 Cb 0.63 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2hgu h GLU 44 CO -0.05 -0.26 -0.19 1.15 -1.00 0.00 0.00 179.01 178.67 2hgu h THR 45 N -0.40 0.60 -0.47 1.13 2.02 -0.95 0.39 112.91 115.23 2hgu h THR 45 Ca 0.07 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 2hgu h THR 45 Cb 0.51 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2hgu h THR 45 CO -0.27 0.07 -0.13 0.00 0.37 0.00 0.00 175.52 175.57 2hgu h ALA 46 N -0.25 0.89 0.00 6.16 0.00 -0.99 -3.33 119.26 121.74 2hgu h ALA 46 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2hgu h ALA 46 Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hgu h ALA 46 CO 0.09 0.64 -0.95 1.19 0.00 0.00 0.00 179.25 180.21 2hgu n PHE 47 N -4.15 0.12 -3.31 0.00 3.01 0.05 -4.99 117.46 108.19 2hgu n PHE 47 Ca 0.01 0.04 -0.16 0.00 1.01 0.00 0.00 57.45 58.35 2hgu n PHE 47 Cb 0.39 -0.28 0.08 0.00 -0.01 0.00 0.00 39.48 39.66 2hgu n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2hgu n LYS 48 N -1.75 -4.64 -3.44 -1.08 4.01 0.12 -4.80 118.16 106.59 2hgu n LYS 48 Ca 0.03 0.84 -0.18 0.00 -0.51 0.00 0.00 58.31 58.49 2hgu n LYS 48 Cb 0.39 -5.76 -0.03 0.00 -0.51 0.00 0.00 35.03 29.12 2hgu n LYS 48 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2hgu n VAL 49 N -3.68 0.00 -3.59 -0.18 0.24 -1.21 -4.73 118.33 105.18 2hgu n VAL 49 Ca -0.19 -1.34 -0.27 0.00 -2.04 0.00 0.00 64.34 60.50 2hgu n VAL 49 Cb 0.64 0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 2hgu n VAL 49 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2hgu n LYS 50 N -0.76 1.98 -1.53 7.34 0.00 -1.26 -4.77 118.16 119.16 2hgu n LYS 50 Ca -0.11 -4.40 -0.24 0.00 -0.00 0.00 0.00 58.31 53.56 2hgu n LYS 50 Cb 0.36 -2.16 -0.13 0.00 -0.00 0.00 0.00 35.03 33.11 2hgu n LYS 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2hgu n VAL 51 N 1.44 -0.02 -4.82 0.58 0.31 -1.26 -3.62 118.33 110.94 2hgu n VAL 51 Ca 0.25 -0.48 -0.33 0.00 -0.01 0.00 0.00 64.34 63.78 2hgu n VAL 51 Cb 0.40 -1.27 -0.16 0.00 -0.91 0.00 0.00 33.84 31.89 2hgu n VAL 51 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgu s VAL 52 N 8.83 2.26 -0.05 2.52 1.01 0.91 -4.92 120.40 130.96 2hgu s VAL 52 Ca 1.13 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2hgu s VAL 52 Cb -0.53 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2hgu s VAL 52 CO 0.33 0.54 0.07 0.29 0.00 0.00 0.00 175.10 176.33 2hgu n LYS 53 N 3.85 -2.72 -4.01 2.72 5.02 -1.26 -1.32 118.16 120.44 2hgu n LYS 53 Ca -0.19 2.10 -0.34 0.00 -2.02 0.00 0.00 58.31 57.86 2hgu n LYS 53 Cb 0.52 -2.71 -0.15 0.00 -0.02 0.00 0.00 35.03 32.68 2hgu n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hgu s VAL 54 N -0.30 2.68 0.18 -0.18 1.01 -1.26 -1.28 120.40 121.25 2hgu s VAL 54 Ca -0.08 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2hgu s VAL 54 Cb 0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2hgu s VAL 54 CO 0.23 0.34 0.16 0.20 0.00 0.00 0.00 175.10 176.03 2hgu s ASN 55 N 1.34 5.58 -0.07 3.32 0.01 0.11 -4.96 114.94 120.26 2hgu s ASN 55 Ca 0.02 -0.13 -0.07 0.00 -0.71 0.00 0.00 52.86 51.98 2hgu s ASN 55 Cb -0.15 -1.47 0.02 0.00 0.41 0.00 0.00 41.25 40.06 2hgu s ASN 55 CO -0.07 0.05 0.19 0.42 -1.51 0.00 0.00 177.10 176.18 2hgu s THR 56 N -1.82 -0.00 0.00 1.60 -4.23 -1.26 -0.85 115.64 109.09 2hgu s THR 56 Ca 0.31 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 2hgu s THR 56 Cb -0.10 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.48 2hgu s THR 56 CO 0.24 0.00 0.21 -0.22 -0.54 0.00 0.00 174.62 174.31 2hgu s LEU 57 N 0.11 1.27 0.17 4.79 0.20 0.14 -4.99 118.68 120.36 2hgu s LEU 57 Ca -0.00 -0.13 0.08 0.00 0.69 0.00 0.00 54.13 54.77 2hgu s LEU 57 Cb -0.01 0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 46.64 2hgu s LEU 57 CO 0.00 -0.43 -0.18 -1.00 -0.29 0.00 0.00 176.35 174.45 2hgu s HIS 58 N -1.58 1.81 -0.22 5.38 3.76 -1.26 -0.44 115.29 122.73 2hgu s HIS 58 Ca -0.13 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.25 2hgu s HIS 58 Cb -0.06 -0.90 0.11 0.00 1.11 0.00 0.00 32.58 32.85 2hgu s HIS 58 CO 0.02 0.33 0.44 0.54 -0.85 0.00 0.00 174.74 175.22 2hgu s VAL 59 N -2.12 -0.69 0.81 -0.90 0.11 -0.27 -4.89 120.40 112.45 2hgu s VAL 59 Ca 0.16 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.19 2hgu s VAL 59 Cb -0.05 -0.74 0.08 0.00 -1.53 0.00 0.00 36.38 34.14 2hgu s VAL 59 CO 0.07 0.02 1.16 0.00 -3.33 0.00 0.00 175.10 173.02 2hgu s ARG 60 N 2.63 1.93 0.60 1.54 1.70 -1.26 -1.06 118.95 125.03 2hgu s ARG 60 Ca 0.02 0.20 0.06 0.00 -0.47 0.00 0.00 55.73 55.55 2hgu s ARG 60 Cb -0.13 -1.94 0.09 0.00 -0.57 0.00 0.00 34.95 32.40 2hgu s ARG 60 CO -0.14 -1.63 0.82 0.20 -1.08 0.00 0.00 175.30 173.47 2hgu s GLY 61 N -4.43 1.77 0.00 3.88 0.00 -0.32 -4.80 107.32 103.42 2hgu s GLY 61 Ca 0.62 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2hgu s GLY 61 CO 0.50 -1.48 0.00 0.28 0.00 0.00 0.00 173.10 172.40 2hgu n LYS 62 N -2.38 0.15 -1.37 2.90 4.76 0.49 -4.75 118.16 117.97 2hgu n LYS 62 Ca 0.14 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 2hgu n LYS 62 Cb 0.61 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.62 2hgu n LYS 62 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2hgu n LYS 63 N 0.00 0.00 -3.79 1.97 4.76 -1.26 -3.86 118.16 115.97 2hgu n LYS 63 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2hgu n LYS 63 Cb 0.00 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 31.91 2hgu n LYS 63 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2hgu s LYS 64 N 7.23 0.92 -0.01 1.97 1.02 -0.34 -5.01 119.74 125.53 2hgu s LYS 64 Ca 1.22 -0.72 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 2hgu s LYS 64 Cb -0.95 -2.22 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 2hgu s LYS 64 CO 0.49 -0.70 0.47 1.03 -0.92 0.00 0.00 175.35 175.71 2hgu s ARG 65 N 1.68 4.10 -0.69 1.68 0.52 -1.26 -0.94 118.95 124.03 2hgu s ARG 65 Ca 0.00 0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.78 2hgu s ARG 65 Cb -0.18 -3.28 0.17 0.00 0.52 0.00 0.00 34.95 32.19 2hgu s ARG 65 CO -0.11 0.55 0.50 1.47 0.02 0.00 0.00 175.30 177.74 2hgu n LEU 66 N 2.22 2.93 0.00 2.53 -0.00 -0.02 -4.96 117.00 119.70 2hgu n LEU 66 Ca -0.11 -5.19 0.00 0.00 -0.00 0.00 0.00 56.01 50.70 2hgu n LEU 66 Cb 0.52 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2hgu n LEU 66 CO 0.40 1.78 0.00 0.61 -0.00 0.00 0.00 177.39 180.18 2hgu n GLY 67 N 1.93 1.87 0.26 1.47 0.00 -1.26 -0.81 105.19 108.65 2hgu n GLY 67 Ca 0.21 0.52 0.16 0.00 0.00 0.00 0.00 46.02 46.91 2hgu n GLY 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2hgu h ARG 68 N 0.00 0.00 -4.09 1.61 2.43 -2.05 -3.43 114.38 108.85 2hgu h ARG 68 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2hgu h ARG 68 Cb 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.44 2hgu h ARG 68 CO 0.00 0.00 -0.30 0.71 -1.51 0.00 0.00 179.97 178.87 2hgu s TYR 69 N -3.85 0.81 0.26 2.20 1.51 0.01 -5.19 117.35 113.11 2hgu s TYR 69 Ca -0.04 -1.09 -0.10 0.00 -1.01 0.00 0.00 57.07 54.84 2hgu s TYR 69 Cb 0.09 -0.14 -0.00 0.00 -0.11 0.00 0.00 41.96 41.80 2hgu s TYR 69 CO 0.29 -0.91 0.46 -1.17 -1.11 0.00 0.00 175.55 173.11 2hgu s LEU 70 N -3.12 0.50 0.00 -1.29 0.20 -1.26 -0.84 118.68 112.87 2hgu s LEU 70 Ca 0.30 -1.07 -0.01 0.00 0.69 0.00 0.00 54.13 54.04 2hgu s LEU 70 Cb 0.02 1.63 0.00 0.00 -0.43 0.00 0.00 46.19 47.41 2hgu s LEU 70 CO 0.13 -1.16 0.22 0.61 -0.29 0.00 0.00 176.35 175.86 2hgu n GLY 71 N -0.41 2.67 0.34 7.98 0.00 -0.12 -4.90 105.19 110.76 2hgu n GLY 71 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2hgu n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgu n LYS 72 N -0.26 0.00 0.00 1.61 5.02 -1.25 -1.20 118.16 122.08 2hgu n LYS 72 Ca 0.00 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 2hgu n LYS 72 Cb 0.27 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 2hgu n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgu n ARG 73 N 0.00 0.00 0.00 1.97 0.63 -1.26 -0.38 116.66 117.62 2hgu n ARG 73 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgu n ARG 73 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 2hgu n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2hgu n PRO 74 N -1.48 0.00 -3.98 -0.14 -0.04 -1.26 -4.53 135.00 123.57 2hgu n PRO 74 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2hgu n PRO 74 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2hgu n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hgu s ASP 75 N -1.00 3.05 -0.30 3.54 1.01 -1.26 -1.17 116.67 120.53 2hgu s ASP 75 Ca 0.00 -0.71 -0.14 0.00 0.71 0.00 0.00 52.55 52.41 2hgu s ASP 75 Cb 0.00 -1.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 2hgu s ASP 75 CO 0.00 -0.12 0.33 -0.60 0.21 0.00 0.00 175.17 174.98 2hgu s ARG 76 N 1.47 3.81 -0.29 8.23 3.00 -0.22 -4.92 118.95 130.02 2hgu s ARG 76 Ca 0.01 -0.24 -0.16 0.00 -1.00 0.00 0.00 55.73 54.35 2hgu s ARG 76 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 34.95 31.06 2hgu s ARG 76 CO -0.09 -0.36 0.40 0.21 0.00 0.00 0.00 175.30 175.47 2hgu s LYS 77 N 1.97 3.88 -0.03 5.12 2.47 -1.26 -1.12 119.74 130.76 2hgu s LYS 77 Ca 0.12 -0.05 -0.01 0.00 -1.56 0.00 0.00 55.97 54.46 2hgu s LYS 77 Cb -0.16 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.47 2hgu s LYS 77 CO 0.11 -0.39 0.05 0.21 0.16 0.00 0.00 175.35 175.50 2hgu s LYS 78 N 2.13 3.03 -0.07 4.03 2.20 0.41 -0.98 119.74 130.49 2hgu s LYS 78 Ca 0.15 -0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 55.05 2hgu s LYS 78 Cb -0.16 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2hgu s LYS 78 CO 0.11 0.67 0.58 0.00 -0.36 0.00 0.00 175.35 176.35 2hgu s ALA 79 N -1.08 -1.49 -0.04 3.13 0.00 -0.13 -0.69 121.76 121.45 2hgu s ALA 79 Ca 0.19 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2hgu s ALA 79 Cb -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2hgu s ALA 79 CO 0.09 -0.33 -0.01 0.42 0.00 0.00 0.00 175.76 175.93 2hgu s ILE 80 N -0.98 0.33 0.02 0.00 -1.09 -0.03 -0.60 121.20 118.85 2hgu s ILE 80 Ca -0.10 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2hgu s ILE 80 Cb -0.02 -0.41 -0.02 0.00 -1.58 0.00 0.00 42.46 40.43 2hgu s ILE 80 CO 0.07 0.19 -0.19 0.54 -1.23 0.00 0.00 174.94 174.32 2hgu s VAL 81 N 1.12 1.50 0.09 2.92 0.11 -0.31 -0.71 120.40 125.12 2hgu s VAL 81 Ca -0.08 -1.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 2hgu s VAL 81 Cb -0.14 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 2hgu s VAL 81 CO -0.01 0.25 0.02 -1.58 -3.33 0.00 0.00 175.10 170.45 2hgu s GLN 82 N -0.89 2.65 0.00 1.54 0.74 -0.41 -0.92 119.66 122.38 2hgu s GLN 82 Ca 0.06 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.68 2hgu s GLN 82 Cb -0.08 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.43 2hgu s GLN 82 CO 0.01 0.55 0.00 1.33 -0.55 0.00 0.00 175.29 176.63 2hgu n VAL 83 N 0.54 0.00 0.00 1.34 0.24 -0.12 -0.06 118.33 120.26 2hgu n VAL 83 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2hgu n VAL 83 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2hgu n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgu n ALA 84 N -3.00 1.39 -0.03 2.33 0.00 -1.24 -3.53 120.51 116.44 2hgu n ALA 84 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2hgu n ALA 84 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hgu n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hgu n PRO 85 N -1.89 2.66 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.47 2hgu n PRO 85 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2hgu n PRO 85 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2hgu n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgu n GLY 86 N 2.57 0.06 2.41 0.55 0.00 -1.26 -5.10 105.19 104.43 2hgu n GLY 86 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2hgu n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgu n GLN 87 N 0.00 -2.40 -0.66 1.61 1.13 -1.26 -4.96 117.38 110.85 2hgu n GLN 87 Ca 0.00 -1.21 0.01 0.00 -1.94 0.00 0.00 57.00 53.86 2hgu n GLN 87 Cb 0.00 -1.11 -0.00 0.00 0.11 0.00 0.00 30.24 29.23 2hgu n GLN 87 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hgu n LYS 88 N -3.75 -0.17 -0.54 -1.09 4.76 -1.26 -4.75 118.16 111.36 2hgu n LYS 88 Ca 0.10 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2hgu n LYS 88 Cb 0.40 -0.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 2hgu n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2hgu n ILE 89 N -2.82 0.00 0.00 -0.18 5.41 -1.26 -4.96 119.36 115.55 2hgu n ILE 89 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgu n ILE 89 Cb 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2hgu n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hgu n GLU 90 N -2.00 0.00 -0.28 0.38 4.71 -1.26 -0.38 120.64 121.81 2hgu n GLU 90 Ca 0.00 0.12 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 2hgu n GLU 90 Cb 0.00 -0.27 -0.07 0.00 -1.01 0.00 0.00 31.44 30.09 2hgu n GLU 90 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgu n ALA 91 N -0.73 -0.43 -0.32 0.62 0.00 -1.26 0.69 120.51 119.08 2hgu n ALA 91 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 2hgu n ALA 91 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 2hgu n ALA 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgu h LEU 92 N 0.00 -1.78 -0.10 0.00 4.07 -1.13 -0.70 115.31 115.68 2hgu h LEU 92 Ca 0.11 0.29 -0.00 0.00 0.08 0.00 0.00 57.88 58.36 2hgu h LEU 92 Cb 0.27 0.81 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 2hgu h LEU 92 CO -0.63 -0.29 0.04 1.05 -1.08 0.00 0.00 178.44 177.53 2hgu h GLU 93 N -0.10 0.14 -0.72 1.13 4.11 0.22 -0.11 114.58 119.25 2hgu h GLU 93 Ca 0.20 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.75 2hgu h GLU 93 Cb 0.52 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 2hgu h GLU 93 CO -0.85 0.24 0.23 0.78 0.07 0.00 0.00 179.01 179.48 2hgu h GLY 94 N 0.02 1.04 0.00 1.06 0.00 -0.78 -3.21 103.07 101.19 2hgu h GLY 94 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2hgu h GLY 94 CO -0.00 -0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.44 2hgu n LEU 95 N -5.07 0.00 -0.68 3.11 4.77 -0.29 -5.11 117.00 113.72 2hgu n LEU 95 Ca 0.13 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.24 2hgu n LEU 95 Cb 0.41 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.85 2hgu n LEU 95 CO 0.16 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 176.99