#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgl n MET 2 N 0.00 0.00 -4.01 2.12 -0.00 -1.26 -5.14 117.12 108.83 2hgl n MET 2 Ca 0.00 -0.26 -0.10 0.00 -0.00 0.00 0.00 57.70 57.34 2hgl n MET 2 Cb 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 33.22 32.97 2hgl n MET 2 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2hgl s LEU 3 N 0.00 0.55 0.00 3.17 2.34 -1.26 -5.19 118.68 118.29 2hgl s LEU 3 Ca 0.00 -0.97 -0.01 0.00 0.06 0.00 0.00 54.13 53.21 2hgl s LEU 3 Cb 0.00 1.46 0.00 0.00 -0.56 0.00 0.00 46.19 47.10 2hgl s LEU 3 CO 0.00 -1.05 0.06 0.61 -1.06 0.00 0.00 176.35 174.91 2hgl n GLY 4 N -0.33 1.81 3.50 -3.48 0.00 -1.26 -5.16 105.19 100.26 2hgl n GLY 4 Ca -0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2hgl n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgl n PRO 5 N -0.04 0.77 -0.05 1.61 -0.02 -1.26 -4.85 135.00 131.17 2hgl n PRO 5 Ca -0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2hgl n PRO 5 Cb 0.04 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2hgl n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2hgl n GLU 6 N 0.36 0.67 0.02 -0.52 4.71 -1.26 -4.56 120.64 120.05 2hgl n GLU 6 Ca 0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.34 2hgl n GLU 6 Cb 0.40 -1.17 0.36 0.00 -1.01 0.00 0.00 31.44 30.02 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgl n GLY 7 N 0.82 -1.08 3.96 0.62 0.00 -1.26 -4.91 105.19 103.34 2hgl n GLY 7 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2hgl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgl n GLY 8 N 0.12 0.16 0.00 -0.02 0.00 -1.26 -5.10 105.19 99.09 2hgl n GLY 8 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2hgl n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hgl n GLU 9 N -0.94 0.00 -2.56 1.61 -0.00 -1.26 -5.15 120.64 112.34 2hgl n GLU 9 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.16 2hgl n GLU 9 Cb 0.57 -0.38 -0.02 0.00 -0.00 0.00 0.00 31.44 31.61 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgl n GLY 10 N 0.69 3.60 1.54 -1.84 0.00 -1.26 -5.07 105.19 102.86 2hgl n GLY 10 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 2hgl n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgl n PHE 11 N -0.17 1.08 -2.15 1.61 3.72 -1.26 -4.90 117.46 115.39 2hgl n PHE 11 Ca 0.02 -1.66 -0.40 0.00 -0.05 0.00 0.00 57.45 55.36 2hgl n PHE 11 Cb 0.17 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.43 2hgl n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2hgl s VAL 12 N -3.23 2.81 -0.11 -4.37 1.01 -1.23 -0.38 120.40 114.90 2hgl s VAL 12 Ca 0.40 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.17 2hgl s VAL 12 Cb 0.38 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2hgl s VAL 12 CO -0.05 0.15 -0.21 0.68 0.00 0.00 0.00 175.10 175.67 2hgl s VAL 13 N -1.22 1.87 0.50 2.92 -7.23 0.42 -0.67 120.40 116.99 2hgl s VAL 13 Ca 0.52 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 2hgl s VAL 13 Cb -0.37 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 2hgl s VAL 13 CO 0.49 0.52 1.05 -0.75 -0.31 0.00 0.00 175.10 176.09 2hgl s LYS 14 N 0.64 3.73 -0.05 4.82 2.20 0.60 -0.19 119.74 131.49 2hgl s LYS 14 Ca -0.12 1.36 -0.01 0.00 -0.36 0.00 0.00 55.97 56.83 2hgl s LYS 14 Cb -0.16 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.10 2hgl s LYS 14 CO 0.03 -0.49 0.02 -0.51 -0.36 0.00 0.00 175.35 174.04 2hgl s LEU 15 N -3.61 0.54 -0.13 5.43 1.43 0.10 -0.56 118.68 121.88 2hgl s LEU 15 Ca 0.67 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2hgl s LEU 15 Cb -0.17 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 45.82 2hgl s LEU 15 CO 0.22 -0.20 -0.01 -0.60 0.23 0.00 0.00 176.35 176.00 2hgl s ARG 16 N 1.84 0.87 0.00 1.70 3.00 -0.54 -1.46 118.95 124.36 2hgl s ARG 16 Ca 0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.54 2hgl s ARG 16 Cb -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 34.95 33.24 2hgl s ARG 16 CO -0.04 -0.43 0.00 0.41 0.00 0.00 0.00 175.30 175.24 2hgl n GLY 17 N 5.05 0.82 3.07 8.12 0.00 0.09 -1.56 105.19 120.78 2hgl n GLY 17 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2hgl n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2hgl n LEU 18 N 0.00 -5.09 -4.50 0.99 -0.00 0.05 -3.86 117.00 104.60 2hgl n LEU 18 Ca 0.00 0.23 -0.36 0.00 -0.00 0.00 0.00 56.01 55.88 2hgl n LEU 18 Cb 0.00 -0.83 0.08 0.00 -0.00 0.00 0.00 43.42 42.67 2hgl n LEU 18 CO 0.00 -5.64 0.16 -2.65 -0.00 0.00 0.00 177.39 169.26 2hgl n PRO 19 N 1.87 0.28 0.00 1.47 -0.02 -1.26 -3.96 135.00 133.37 2hgl n PRO 19 Ca -0.00 0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 2hgl n PRO 19 Cb 0.55 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 32.15 2hgl n PRO 19 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2hgl n TRP 20 N -2.55 0.00 -1.91 6.00 5.03 -1.26 -2.29 117.44 120.45 2hgl n TRP 20 Ca 0.10 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.66 2hgl n TRP 20 Cb 0.50 -0.42 0.03 0.00 -1.03 0.00 0.00 31.31 30.40 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2hgl n SER 21 N -1.42 0.61 -4.62 -0.99 3.41 -1.26 -2.78 113.62 106.57 2hgl n SER 21 Ca 0.01 -2.25 -0.37 0.00 -0.26 0.00 0.00 58.87 56.00 2hgl n SER 21 Cb 0.02 -0.27 0.07 0.00 -0.26 0.00 0.00 64.21 63.77 2hgl n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgl s SER 23 N -1.45 0.10 0.48 0.00 1.04 -1.26 -4.95 113.70 107.65 2hgl s SER 23 Ca 0.75 -1.29 0.39 0.00 0.48 0.00 0.00 55.95 56.28 2hgl s SER 23 Cb -0.38 0.43 1.56 0.00 0.10 0.00 0.00 66.02 67.73 2hgl s SER 23 CO 0.48 -0.91 1.54 0.52 0.98 0.00 0.00 173.24 175.85 2hgl n VAL 24 N -0.30 -0.16 0.12 5.02 0.31 -1.26 -0.74 118.33 121.33 2hgl n VAL 24 Ca 0.01 1.67 -0.00 0.00 -0.01 0.00 0.00 64.34 66.00 2hgl n VAL 24 Cb 0.65 -2.74 0.06 0.00 -0.91 0.00 0.00 33.84 30.90 2hgl n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hgl h GLU 25 N 0.00 0.00 0.00 5.55 3.07 -1.96 -3.02 114.58 118.22 2hgl h GLU 25 Ca 0.89 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.61 2hgl h GLU 25 Cb 3.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 31.03 2hgl h GLU 25 CO -0.30 0.65 -0.67 0.22 -1.40 0.00 0.00 179.01 177.51 2hgl h ASP 26 N 0.00 0.00 0.29 1.42 3.58 -1.35 -0.51 116.42 119.86 2hgl h ASP 26 Ca -0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 2hgl h ASP 26 Cb 1.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 2hgl h ASP 26 CO 0.08 0.67 -1.73 1.62 -2.88 0.00 0.00 179.24 177.01 2hgl h VAL 27 N 0.00 0.93 -0.21 2.25 3.04 -1.31 -0.59 116.25 120.36 2hgl h VAL 27 Ca -0.01 -2.59 -0.16 0.00 -1.01 0.00 0.00 66.70 62.94 2hgl h VAL 27 Cb 1.52 2.67 -0.01 0.00 -2.01 0.00 0.00 31.29 33.46 2hgl h VAL 27 CO 0.09 0.82 -0.52 1.56 -1.01 0.00 0.00 177.57 178.51 2hgl h GLN 28 N 0.08 0.61 -0.28 4.17 4.20 -1.66 -2.52 115.11 119.72 2hgl h GLN 28 Ca -0.32 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.01 2hgl h GLN 28 Cb 2.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.85 2hgl h GLN 28 CO 0.14 0.98 0.17 -0.97 -0.67 0.00 0.00 178.83 178.48 2hgl h ASN 29 N 0.48 0.33 -0.82 1.46 -1.24 -1.08 -0.92 115.58 113.79 2hgl h ASN 29 Ca 0.02 -0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.03 2hgl h ASN 29 Cb 1.07 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.99 2hgl h ASN 29 CO 0.10 0.28 0.54 0.15 -1.29 0.00 0.00 177.43 177.21 2hgl h PHE 30 N 0.35 0.94 -1.35 0.67 3.57 -1.11 -2.97 116.94 117.05 2hgl h PHE 30 Ca 0.10 0.02 -0.63 0.00 3.53 0.00 0.00 57.97 60.99 2hgl h PHE 30 Cb 0.01 -0.31 -0.37 0.00 2.79 0.00 0.00 35.95 38.07 2hgl h PHE 30 CO -0.04 0.52 -0.17 1.28 -2.23 0.00 0.00 178.31 177.66 2hgl n LEU 31 N -4.47 5.75 -2.05 0.59 4.77 -0.95 -4.78 117.00 115.86 2hgl n LEU 31 Ca 0.12 -4.89 -0.01 0.00 -0.03 0.00 0.00 56.01 51.19 2hgl n LEU 31 Cb 0.17 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 2hgl n LEU 31 CO 0.34 2.00 0.42 -1.54 -1.33 0.00 0.00 177.39 177.29 2hgl n SER 32 N -0.61 1.27 0.00 -1.43 3.41 -0.37 -1.50 113.62 114.39 2hgl n SER 32 Ca 0.47 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2hgl n SER 32 Cb 0.65 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2hgl n SER 32 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hgl n ASP 33 N 2.23 0.00 -4.00 4.04 2.03 -1.26 -5.12 116.55 114.47 2hgl n ASP 33 Ca 0.04 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.26 2hgl n ASP 33 Cb 0.16 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.45 2hgl n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgl s THR 35 N -2.45 5.31 0.32 0.00 2.01 -1.26 -5.01 115.64 114.56 2hgl s THR 35 Ca -0.07 0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.54 2hgl s THR 35 Cb -0.03 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2hgl s THR 35 CO -0.04 0.39 0.44 -0.63 -0.69 0.00 0.00 174.62 174.08 2hgl s ILE 36 N 0.45 4.19 -2.08 1.82 -1.09 -1.26 -0.74 121.20 122.49 2hgl s ILE 36 Ca 0.16 -1.03 0.27 0.00 -2.23 0.00 0.00 60.65 57.82 2hgl s ILE 36 Cb -0.13 -3.45 0.71 0.00 -1.58 0.00 0.00 42.46 38.02 2hgl s ILE 36 CO 0.04 -0.18 1.96 1.57 -1.23 0.00 0.00 174.94 177.09 2hgl n HIS 37 N -1.58 0.02 0.16 3.97 -0.00 -1.02 -4.00 115.22 112.77 2hgl n HIS 37 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2hgl n HIS 37 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2hgl n HIS 37 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hgl n ASP 38 N -0.69 -2.72 0.00 0.26 2.03 -1.26 -4.84 116.55 109.33 2hgl n ASP 38 Ca 0.20 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2hgl n ASP 38 Cb 0.14 2.68 0.00 0.00 -0.72 0.00 0.00 41.12 43.22 2hgl n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hgl n GLY 39 N -1.25 4.31 0.00 0.27 0.00 -1.26 -4.88 105.19 102.38 2hgl n GLY 39 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2hgl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgl n ALA 40 N 0.00 1.32 0.97 4.61 0.00 -1.26 -4.72 120.51 121.44 2hgl n ALA 40 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgl n ALA 40 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.54 2hgl n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgl n ALA 41 N -0.99 2.53 -1.81 0.00 0.00 -1.26 -2.47 120.51 116.51 2hgl n ALA 41 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2hgl n ALA 41 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2hgl n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgl n GLY 42 N 0.12 -0.07 3.19 0.00 0.00 -1.26 -4.65 105.19 102.52 2hgl n GLY 42 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2hgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgl s VAL 43 N 0.00 1.19 -0.07 1.61 -7.23 -1.03 0.14 120.40 115.00 2hgl s VAL 43 Ca 0.00 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 2hgl s VAL 43 Cb 0.00 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.80 2hgl s VAL 43 CO 0.00 -0.23 0.29 -1.00 -0.31 0.00 0.00 175.10 173.85 2hgl s HIS 44 N -1.37 -0.25 0.06 2.82 0.09 0.41 -4.97 115.29 112.09 2hgl s HIS 44 Ca -0.00 0.55 0.08 0.00 -0.00 0.00 0.00 55.06 55.69 2hgl s HIS 44 Cb -0.09 0.09 -0.03 0.00 -0.00 0.00 0.00 32.58 32.55 2hgl s HIS 44 CO 0.02 -0.25 -0.23 -0.06 -0.00 0.00 0.00 174.74 174.22 2hgl s PHE 45 N -0.48 2.00 0.03 1.40 0.40 -1.26 -0.89 117.98 119.18 2hgl s PHE 45 Ca -0.06 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2hgl s PHE 45 Cb -0.04 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 2hgl s PHE 45 CO 0.02 0.14 0.09 0.42 0.70 0.00 0.00 175.22 176.59 2hgl s ILE 46 N -0.88 4.69 -0.06 0.64 -1.09 -0.31 -4.95 121.20 119.23 2hgl s ILE 46 Ca 0.09 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 2hgl s ILE 46 Cb -0.09 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 2hgl s ILE 46 CO 0.03 0.24 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.64 2hgl s TYR 47 N -1.30 0.83 0.04 3.97 2.02 -1.26 -1.08 117.35 120.58 2hgl s TYR 47 Ca 0.26 -0.27 -0.32 0.00 -0.37 0.00 0.00 57.07 56.38 2hgl s TYR 47 Cb -0.12 -0.80 -0.18 0.00 -0.40 0.00 0.00 41.96 40.46 2hgl s TYR 47 CO 0.18 -0.28 1.37 1.79 -1.57 0.00 0.00 175.55 177.04 2hgl h THR 48 N 6.21 0.00 0.00 -0.71 1.35 -1.51 -3.43 112.91 114.82 2hgl h THR 48 Ca -0.30 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2hgl h THR 48 Cb 1.14 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2hgl h THR 48 CO 0.39 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.20 2hgl n ARG 49 N -5.38 0.00 0.00 4.72 5.12 -1.26 -4.87 116.66 114.98 2hgl n ARG 49 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2hgl n ARG 49 Cb 0.46 -0.21 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2hgl n GLU 50 N 0.00 0.00 0.00 5.56 -0.00 -1.18 -3.99 120.64 121.03 2hgl n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2hgl n GLU 50 Cb 0.22 -0.12 0.00 0.00 -0.00 0.00 0.00 31.44 31.54 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgl n GLY 51 N -0.75 -0.65 3.77 -1.84 0.00 -1.26 -4.69 105.19 99.77 2hgl n GLY 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2hgl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgl s ARG 52 N 0.00 3.98 -0.05 1.61 0.52 -1.26 -4.83 118.95 118.92 2hgl s ARG 52 Ca 0.00 2.28 -0.30 0.00 -0.52 0.00 0.00 55.73 57.19 2hgl s ARG 52 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2hgl s ARG 52 CO 0.00 -0.53 1.39 -0.65 0.02 0.00 0.00 175.30 175.53 2hgl s GLN 53 N -2.20 4.26 0.00 3.54 1.11 -1.12 -1.51 119.66 123.74 2hgl s GLN 53 Ca 0.56 1.90 0.00 0.00 0.01 0.00 0.00 55.36 57.83 2hgl s GLN 53 Cb -0.41 -3.68 0.00 0.00 -1.01 0.00 0.00 33.01 27.92 2hgl s GLN 53 CO 0.53 -0.63 0.45 0.45 0.01 0.00 0.00 175.29 176.10 2hgl n SER 54 N 5.89 0.56 -4.05 5.90 2.88 -0.24 -4.34 113.62 120.22 2hgl n SER 54 Ca 0.14 -1.46 -0.34 0.00 -1.33 0.00 0.00 58.87 55.88 2hgl n SER 54 Cb 0.44 -0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 2hgl n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgl n GLY 55 N 0.16 -0.45 2.95 0.46 0.00 -1.25 -4.91 105.19 102.14 2hgl n GLY 55 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2hgl n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hgl s GLU 56 N -6.74 0.15 0.18 1.61 2.02 -1.26 -0.73 118.70 113.93 2hgl s GLU 56 Ca 0.68 -0.10 -0.24 0.00 0.02 0.00 0.00 54.97 55.33 2hgl s GLU 56 Cb -0.37 0.06 0.05 0.00 0.10 0.00 0.00 34.13 33.97 2hgl s GLU 56 CO 0.83 -0.03 0.80 0.00 0.02 0.00 0.00 175.26 176.88 2hgl s ALA 57 N -0.38 -1.50 -0.02 5.21 0.00 -0.53 -1.17 121.76 123.37 2hgl s ALA 57 Ca -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 2hgl s ALA 57 Cb -0.03 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2hgl s ALA 57 CO 0.00 -0.95 0.06 -0.06 0.00 0.00 0.00 175.76 174.81 2hgl s PHE 58 N -3.59 -0.06 -0.19 0.00 0.40 -0.07 0.03 117.98 114.50 2hgl s PHE 58 Ca 0.09 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.54 2hgl s PHE 58 Cb -0.03 -0.01 0.06 0.00 0.51 0.00 0.00 43.02 43.56 2hgl s PHE 58 CO 0.00 -0.04 0.08 0.08 0.70 0.00 0.00 175.22 176.04 2hgl s VAL 59 N 0.18 0.06 -0.44 -0.44 1.01 0.74 -0.44 120.40 121.07 2hgl s VAL 59 Ca -0.01 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 2hgl s VAL 59 Cb -0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 2hgl s VAL 59 CO -0.01 -0.31 2.38 -0.62 0.00 0.00 0.00 175.10 176.54 2hgl n GLU 60 N 5.22 1.22 -1.63 2.72 -0.58 0.12 -0.44 120.64 127.27 2hgl n GLU 60 Ca -0.07 0.14 -0.29 0.00 -0.42 0.00 0.00 57.16 56.52 2hgl n GLU 60 Cb 0.48 -3.26 0.12 0.00 -0.57 0.00 0.00 31.44 28.21 2hgl n GLU 60 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2hgl s LEU 61 N 10.91 2.22 0.17 -4.62 1.43 0.49 -2.42 118.68 126.85 2hgl s LEU 61 Ca 1.01 0.96 0.25 0.00 -1.03 0.00 0.00 54.13 55.33 2hgl s LEU 61 Cb -0.30 -3.37 0.92 0.00 0.03 0.00 0.00 46.19 43.46 2hgl s LEU 61 CO 0.31 -2.30 1.77 0.61 0.23 0.00 0.00 176.35 176.96 2hgl n GLY 62 N -2.48 -1.52 3.77 -3.19 0.00 0.08 -3.81 105.19 98.04 2hgl n GLY 62 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2hgl n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hgl s SER 63 N -4.06 -0.15 0.45 1.61 1.04 -1.26 -4.84 113.70 106.48 2hgl s SER 63 Ca 0.10 -0.45 0.29 0.00 0.48 0.00 0.00 55.95 56.36 2hgl s SER 63 Cb 0.13 0.50 0.97 0.00 0.10 0.00 0.00 66.02 67.71 2hgl s SER 63 CO 0.51 -0.94 1.82 -0.08 0.98 0.00 0.00 173.24 175.54 2hgl h GLU 64 N 2.00 0.00 -0.02 4.02 4.81 -1.90 -1.24 114.58 122.25 2hgl h GLU 64 Ca -0.24 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 2hgl h GLU 64 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2hgl h GLU 64 CO 0.27 0.00 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.59 2hgl h ASP 65 N 0.00 0.06 -0.24 1.04 5.19 -1.98 -0.44 116.42 120.06 2hgl h ASP 65 Ca 0.00 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2hgl h ASP 65 Cb 0.66 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2hgl h ASP 65 CO 0.00 0.56 0.12 0.44 -3.12 0.00 0.00 179.24 177.24 2hgl h ASP 66 N 0.04 0.30 -0.19 6.45 3.32 -1.74 -0.69 116.42 123.92 2hgl h ASP 66 Ca -0.00 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.98 2hgl h ASP 66 Cb 0.92 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 2hgl h ASP 66 CO 0.07 0.33 -0.11 -0.37 -1.72 0.00 0.00 179.24 177.44 2hgl h VAL 67 N 0.26 0.65 -0.94 -1.35 -1.51 -0.81 -0.04 116.25 112.50 2hgl h VAL 67 Ca 0.08 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.67 2hgl h VAL 67 Cb 0.10 0.65 -0.08 0.00 -2.13 0.00 0.00 31.29 29.83 2hgl h VAL 67 CO -0.01 0.00 0.57 0.11 -1.23 0.00 0.00 177.57 177.01 2hgl h LYS 68 N -0.10 0.89 -0.23 5.19 1.57 -1.11 0.17 116.57 122.93 2hgl h LYS 68 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2hgl h LYS 68 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2hgl h LYS 68 CO -0.26 0.59 0.10 0.52 -0.57 0.00 0.00 179.45 179.82 2hgl h MET 69 N 0.91 0.35 -0.36 3.15 2.86 -0.30 -2.32 114.93 119.23 2hgl h MET 69 Ca 0.47 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2hgl h MET 69 Cb 0.47 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2hgl h MET 69 CO -0.27 0.39 0.23 0.00 1.06 0.00 0.00 176.91 178.33 2hgl h ALA 70 N 0.94 1.74 0.00 6.32 0.00 -0.28 -2.05 119.26 125.94 2hgl h ALA 70 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2hgl h ALA 70 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hgl h ALA 70 CO -0.01 0.24 -0.22 -0.07 0.00 0.00 0.00 179.25 179.19 2hgl h LEU 71 N 0.48 0.00 -1.99 0.00 3.38 -0.35 -2.30 115.31 114.53 2hgl h LEU 71 Ca 0.13 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.33 2hgl h LEU 71 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2hgl h LEU 71 CO -0.03 0.22 0.58 0.11 0.09 0.00 0.00 178.44 179.41 2hgl h LYS 72 N 0.00 0.00 -0.60 1.13 1.57 -0.82 -2.36 116.57 115.49 2hgl h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgl h LYS 72 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2hgl h LYS 72 CO 0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 2hgl n LYS 73 N -4.25 2.72 0.00 3.15 4.76 -0.87 -4.86 118.16 118.82 2hgl n LYS 73 Ca 0.16 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.13 2hgl n LYS 73 Cb 0.87 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 2hgl n LYS 73 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2hgl n ASP 74 N 1.35 0.07 -0.23 4.39 5.75 -0.89 -1.58 116.55 125.42 2hgl n ASP 74 Ca 0.21 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 2hgl n ASP 74 Cb 0.57 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2hgl n ASP 74 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hgl n ARG 75 N -0.22 0.00 -0.16 0.11 1.74 -1.25 -2.88 116.66 114.01 2hgl n ARG 75 Ca 0.00 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2hgl n ARG 75 Cb 0.02 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 2hgl n ARG 75 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hgl n GLU 76 N 0.00 1.05 -3.99 5.56 0.28 -0.61 -4.75 120.64 118.18 2hgl n GLU 76 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 2hgl n GLU 76 Cb 0.51 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.28 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2hgl s SER 77 N -1.00 0.27 0.00 -1.84 1.04 -1.26 -0.36 113.70 110.55 2hgl s SER 77 Ca 0.00 -0.60 0.29 0.00 0.48 0.00 0.00 55.95 56.12 2hgl s SER 77 Cb 0.00 0.15 1.29 0.00 0.10 0.00 0.00 66.02 67.56 2hgl s SER 77 CO 0.00 -0.41 1.91 1.15 0.98 0.00 0.00 173.24 176.87 2hgl n MET 78 N 1.10 0.48 0.00 4.02 0.00 -0.49 -4.83 117.12 117.41 2hgl n MET 78 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.38 2hgl n MET 78 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.29 2hgl n MET 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hgl n GLY 79 N 1.32 2.08 0.00 3.17 0.00 -1.26 -4.73 105.19 105.77 2hgl n GLY 79 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2hgl n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgl n HIS 80 N 0.00 0.00 -4.31 1.61 -0.00 -1.26 -5.13 115.22 106.12 2hgl n HIS 80 Ca 0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 2hgl n HIS 80 Cb 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2hgl s ARG 81 N -0.43 1.85 0.12 1.57 1.81 -1.26 -5.08 118.95 117.54 2hgl s ARG 81 Ca 0.00 -1.24 -0.05 0.00 -1.72 0.00 0.00 55.73 52.71 2hgl s ARG 81 Cb 0.00 -2.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.34 2hgl s ARG 81 CO 0.00 0.46 0.36 0.71 -0.68 0.00 0.00 175.30 176.15 2hgl s TYR 82 N -1.39 3.49 -0.49 -0.53 1.51 -1.25 -1.39 117.35 117.30 2hgl s TYR 82 Ca 0.21 0.56 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 2hgl s TYR 82 Cb -0.10 -2.01 0.15 0.00 -0.11 0.00 0.00 41.96 39.90 2hgl s TYR 82 CO 0.12 0.46 0.33 0.42 -1.11 0.00 0.00 175.55 175.77 2hgl s ILE 83 N -1.60 1.32 -0.27 2.71 -1.09 0.51 -0.77 121.20 122.01 2hgl s ILE 83 Ca 0.39 -2.92 -0.29 0.00 -2.23 0.00 0.00 60.65 55.60 2hgl s ILE 83 Cb -0.12 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 2hgl s ILE 83 CO 0.23 -1.04 1.55 -0.70 -1.23 0.00 0.00 174.94 173.75 2hgl s GLU 84 N -0.11 3.74 -0.61 2.79 2.12 -0.60 -3.83 118.70 122.20 2hgl s GLU 84 Ca 0.24 1.46 -0.19 0.00 0.36 0.00 0.00 54.97 56.84 2hgl s GLU 84 Cb -0.11 -4.02 0.10 0.00 0.26 0.00 0.00 34.13 30.36 2hgl s GLU 84 CO -0.10 -1.35 0.76 0.08 -0.54 0.00 0.00 175.26 174.11 2hgl s VAL 85 N 5.25 4.74 0.31 3.70 1.01 -1.14 -1.47 120.40 132.79 2hgl s VAL 85 Ca 0.68 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2hgl s VAL 85 Cb -0.22 -4.53 -0.09 0.00 0.00 0.00 0.00 36.38 31.54 2hgl s VAL 85 CO 0.29 -1.20 0.76 -0.36 0.00 0.00 0.00 175.10 174.59 2hgl s PHE 86 N 2.91 3.44 0.32 5.22 0.40 0.28 -4.71 117.98 125.83 2hgl s PHE 86 Ca 0.14 1.32 -0.27 0.00 -0.60 0.00 0.00 56.93 57.52 2hgl s PHE 86 Cb -0.22 -2.60 -0.09 0.00 0.51 0.00 0.00 43.02 40.61 2hgl s PHE 86 CO 0.06 0.14 0.99 0.21 0.70 0.00 0.00 175.22 177.32 2hgl s LYS 87 N -2.72 4.56 0.32 0.44 2.20 -1.26 -0.30 119.74 122.98 2hgl s LYS 87 Ca 0.52 1.46 -0.04 0.00 -0.36 0.00 0.00 55.97 57.55 2hgl s LYS 87 Cb -0.12 -2.89 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2hgl s LYS 87 CO 0.18 0.23 0.46 -1.12 -0.36 0.00 0.00 175.35 174.74 2hgl s SER 88 N -1.42 0.69 0.10 1.43 0.01 0.16 -4.69 113.70 109.97 2hgl s SER 88 Ca 0.49 -1.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.29 2hgl s SER 88 Cb -0.23 0.64 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 2hgl s SER 88 CO 0.28 -1.25 0.18 -1.00 0.41 0.00 0.00 173.24 171.86 2hgl s HIS 89 N -3.27 0.28 0.00 2.43 0.09 -1.26 -3.53 115.29 110.03 2hgl s HIS 89 Ca 0.29 -0.71 -0.03 0.00 -0.00 0.00 0.00 55.06 54.61 2hgl s HIS 89 Cb -0.00 -0.12 -0.15 0.00 -0.00 0.00 0.00 32.58 32.31 2hgl s HIS 89 CO 0.18 -0.56 2.48 0.54 -0.00 0.00 0.00 174.74 177.37 2hgl n ARG 90 N -0.08 1.29 0.13 1.40 1.74 -1.26 -2.38 116.66 117.51 2hgl n ARG 90 Ca -0.13 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2hgl n ARG 90 Cb 0.62 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2hgl n ARG 90 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2hgl n THR 91 N 2.41 0.00 0.09 0.55 -1.04 -1.26 -4.63 114.28 110.39 2hgl n THR 91 Ca 0.24 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.19 2hgl n THR 91 Cb 0.60 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 2hgl n THR 91 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2hgl h GLU 92 N 0.00 0.06 -0.56 -2.82 9.09 -1.99 -2.81 114.58 115.55 2hgl h GLU 92 Ca 0.00 -0.08 0.01 0.00 0.05 0.00 0.00 59.36 59.34 2hgl h GLU 92 Cb 0.00 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.09 2hgl h GLU 92 CO 0.00 0.91 0.36 1.98 0.05 0.00 0.00 179.01 182.31 2hgl h MET 93 N 0.03 0.70 -0.85 1.06 4.05 -1.82 -3.01 114.93 115.10 2hgl h MET 93 Ca -0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2hgl h MET 93 Cb 1.57 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 32.16 2hgl h MET 93 CO 0.12 0.46 0.55 0.22 0.23 0.00 0.00 176.91 178.50 2hgl h ASP 94 N 0.72 0.98 0.27 1.39 3.58 -1.72 -1.70 116.42 119.94 2hgl h ASP 94 Ca 0.21 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2hgl h ASP 94 Cb -0.04 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2hgl h ASP 94 CO -0.07 0.72 -0.21 -0.25 -2.88 0.00 0.00 179.24 176.55 2hgl h TRP 95 N 1.15 -0.56 0.00 0.28 -0.00 -1.47 -3.31 115.95 112.03 2hgl h TRP 95 Ca 0.31 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 59.10 2hgl h TRP 95 Cb -0.11 0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 2hgl h TRP 95 CO 0.00 -0.33 -0.47 -0.39 -0.00 0.00 0.00 178.44 177.26 2hgl h VAL 96 N -0.49 1.06 0.00 2.65 -1.51 -1.19 -1.77 116.25 115.00 2hgl h VAL 96 Ca -0.02 -1.79 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 2hgl h VAL 96 Cb 0.44 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2hgl h VAL 96 CO -0.02 0.46 0.00 0.18 -1.23 0.00 0.00 177.57 176.96 2hgl n LEU 97 N -3.58 0.00 -0.00 4.19 4.32 -0.96 -3.26 117.00 117.71 2hgl n LEU 97 Ca -0.00 0.43 0.02 0.00 -0.02 0.00 0.00 56.01 56.44 2hgl n LEU 97 Cb 0.57 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.91 2hgl n LEU 97 CO 0.39 -0.18 -0.02 0.29 -1.22 0.00 0.00 177.39 176.64 2hgl n LYS 98 N -1.43 5.74 -0.21 3.23 5.02 -0.75 -4.50 118.16 125.27 2hgl n LYS 98 Ca 0.05 -0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 2hgl n LYS 98 Cb 0.18 -0.67 0.45 0.00 -0.02 0.00 0.00 35.03 34.97 2hgl n LYS 98 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2hgl h HIS 99 N 0.00 0.63 0.00 2.13 2.76 -1.33 -3.35 115.15 115.99 2hgl h HIS 99 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2hgl h HIS 99 Cb 0.08 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2hgl h HIS 99 CO 0.00 0.24 -0.05 0.66 -1.30 0.00 0.00 177.93 177.48 2hgl h SER 100 N 0.54 0.00 -5.56 3.26 4.64 -1.79 -3.50 113.55 111.14 2hgl h SER 100 Ca 0.40 -0.68 -0.31 0.00 -0.47 0.00 0.00 61.79 60.74 2hgl h SER 100 Cb 0.76 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 2hgl h SER 100 CO -0.15 0.87 -0.95 0.61 -0.87 0.00 0.00 176.83 176.33 2hgl n GLY 101 N 1.65 0.15 0.00 -0.77 0.00 -1.26 -4.58 105.19 100.39 2hgl n GLY 101 Ca -0.08 0.90 0.02 0.00 0.00 0.00 0.00 46.02 46.86 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27