#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgl s MET 2 N 0.00 0.31 0.00 3.17 1.00 -1.26 -4.09 119.30 118.43 2hgl s MET 2 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 55.69 55.09 2hgl s MET 2 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 34.83 34.94 2hgl s MET 2 CO 0.00 -0.05 0.13 -0.11 0.00 0.00 0.00 175.02 174.98 2hgl n LEU 3 N 1.60 0.25 0.00 -0.03 7.94 0.10 -4.93 117.00 121.92 2hgl n LEU 3 Ca -0.24 -0.47 0.00 0.00 -1.11 0.00 0.00 56.01 54.19 2hgl n LEU 3 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2hgl n LEU 3 CO 0.20 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 2hgl n GLY 4 N 0.45 -0.83 1.06 -3.96 0.00 -1.25 -4.88 105.19 95.77 2hgl n GLY 4 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2hgl n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgl n PRO 5 N 0.00 0.65 0.00 1.61 -0.04 -1.26 -4.36 135.00 131.60 2hgl n PRO 5 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2hgl n PRO 5 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2hgl n PRO 5 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgl n GLU 6 N 0.77 0.00 -0.20 0.54 -0.58 -1.26 -5.09 120.64 114.81 2hgl n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2hgl n GLU 6 Cb 0.32 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgl n GLY 7 N 2.71 0.61 2.11 0.62 0.00 -1.26 -5.02 105.19 104.96 2hgl n GLY 7 Ca 0.00 0.00 0.00 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 0.00 1.86 1.07 -0.02 0.00 -1.26 -0.72 105.19 106.11 2hgl n GLY 8 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2hgl n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hgl n GLU 9 N -2.00 1.03 0.00 1.61 4.07 -1.26 -4.83 120.64 119.26 2hgl n GLU 9 Ca 0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2hgl n GLU 9 Cb 0.00 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hgl n GLY 10 N 0.54 0.72 1.61 8.31 0.00 -1.26 -0.67 105.19 114.43 2hgl n GLY 10 Ca 0.01 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.67 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 0.41 1.95 -2.54 1.61 3.72 -1.26 -4.84 117.46 116.50 2hgl n PHE 11 Ca 0.00 -2.02 -0.40 0.00 -0.05 0.00 0.00 57.45 54.97 2hgl n PHE 11 Cb 0.00 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.14 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 -4.19 3.66 -0.07 -4.37 1.01 -1.25 -0.24 120.40 114.96 2hgl s VAL 12 Ca 0.48 1.65 0.05 0.00 0.00 0.00 0.00 61.98 64.16 2hgl s VAL 12 Cb 0.40 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2hgl s VAL 12 CO 0.01 0.38 -0.24 0.68 0.00 0.00 0.00 175.10 175.93 2hgl s VAL 13 N -1.08 1.97 0.44 2.92 -7.23 0.16 -1.81 120.40 115.78 2hgl s VAL 13 Ca 0.44 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.37 2hgl s VAL 13 Cb -0.30 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 2hgl s VAL 13 CO 0.38 0.55 1.12 -0.75 -0.31 0.00 0.00 175.10 176.10 2hgl s LYS 14 N -0.01 3.87 -0.11 4.82 2.20 0.71 -0.14 119.74 131.08 2hgl s LYS 14 Ca -0.07 1.68 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 2hgl s LYS 14 Cb -0.15 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 2hgl s LYS 14 CO 0.05 -0.43 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.98 2hgl s LEU 15 N -2.95 1.49 -0.07 5.43 1.43 0.55 -0.82 118.68 123.75 2hgl s LEU 15 Ca 0.62 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 2hgl s LEU 15 Cb -0.26 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.00 2hgl s LEU 15 CO 0.32 -0.05 0.17 -0.60 0.23 0.00 0.00 176.35 176.41 2hgl s ARG 16 N 1.36 0.19 0.00 1.70 6.06 -0.43 -0.22 118.95 127.60 2hgl s ARG 16 Ca -0.00 0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.48 2hgl s ARG 16 Cb -0.14 0.07 0.00 0.00 0.06 0.00 0.00 34.95 34.95 2hgl s ARG 16 CO -0.06 -0.04 0.00 0.41 -2.50 0.00 0.00 175.30 173.11 2hgl n GLY 17 N 3.11 2.28 2.31 8.12 0.00 0.22 0.10 105.19 121.33 2hgl n GLY 17 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2hgl n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgl n LEU 18 N 0.00 -3.48 -4.67 0.99 4.77 -0.04 -3.80 117.00 110.77 2hgl n LEU 18 Ca 0.00 0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 2hgl n LEU 18 Cb 0.00 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2hgl n LEU 18 CO 0.00 -3.94 0.73 -2.65 -1.33 0.00 0.00 177.39 170.20 2hgl n PRO 19 N 1.43 0.75 0.00 3.23 -0.02 -1.26 -4.02 135.00 135.11 2hgl n PRO 19 Ca 0.03 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2hgl n PRO 19 Cb 0.38 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.31 0.00 -1.59 6.00 7.02 -1.26 -2.65 117.44 122.66 2hgl n TRP 20 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2hgl n TRP 20 Cb 0.49 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2hgl n SER 21 N -0.05 0.00 -4.70 -0.99 3.41 -1.26 -4.68 113.62 105.36 2hgl n SER 21 Ca 0.00 -1.43 -0.34 0.00 -0.26 0.00 0.00 58.87 56.84 2hgl n SER 21 Cb 0.14 -0.09 0.11 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.94 2.97 0.32 0.00 1.04 -1.26 -5.02 113.70 109.80 2hgl s SER 23 Ca 0.76 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.97 2hgl s SER 23 Cb -0.31 -0.21 0.95 0.00 0.10 0.00 0.00 66.02 66.55 2hgl s SER 23 CO 0.48 -0.46 1.60 0.58 0.98 0.00 0.00 173.24 176.43 2hgl h VAL 24 N 2.07 0.12 0.00 5.02 2.07 -1.97 -0.81 116.25 122.75 2hgl h VAL 24 Ca -0.41 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 2hgl h VAL 24 Cb 1.24 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2hgl h VAL 24 CO 0.72 0.02 -0.62 -0.33 0.02 0.00 0.00 177.57 177.37 2hgl h GLU 25 N 0.10 0.00 0.52 1.57 4.39 -1.96 0.19 114.58 119.38 2hgl h GLU 25 Ca 0.68 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.36 2hgl h GLU 25 Cb 1.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2hgl h GLU 25 CO -0.77 0.62 -0.31 0.22 -1.16 0.00 0.00 179.01 177.61 2hgl h ASP 26 N 0.00 -0.77 -0.04 1.42 1.82 -1.93 -0.56 116.42 116.36 2hgl h ASP 26 Ca -0.01 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2hgl h ASP 26 Cb 1.35 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 2hgl h ASP 26 CO 0.08 -0.49 0.03 1.62 -1.61 0.00 0.00 179.24 178.87 2hgl h VAL 27 N -0.78 0.73 0.00 2.25 3.04 -0.04 0.03 116.25 121.48 2hgl h VAL 27 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2hgl h VAL 27 Cb 0.64 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2hgl h VAL 27 CO 0.07 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 176.31 2hgl n GLN 28 N -4.16 4.96 -0.09 4.17 10.64 0.55 -2.35 117.38 131.10 2hgl n GLN 28 Ca -0.02 -0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 55.02 2hgl n GLN 28 Cb 0.13 -0.73 -0.05 0.00 -0.86 0.00 0.00 30.24 28.73 2hgl n GLN 28 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 2hgl h ASN 29 N 0.00 0.55 -0.47 2.61 -0.73 -1.05 -1.66 115.58 114.84 2hgl h ASN 29 Ca 0.00 -0.41 0.03 0.00 1.87 0.00 0.00 56.30 57.80 2hgl h ASN 29 Cb 0.10 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2hgl h ASN 29 CO 0.00 0.84 0.31 0.15 -0.37 0.00 0.00 177.43 178.36 2hgl h PHE 30 N 0.27 0.49 -1.13 0.67 3.57 -1.06 -2.61 116.94 117.13 2hgl h PHE 30 Ca 0.06 0.01 -0.60 0.00 3.53 0.00 0.00 57.97 60.97 2hgl h PHE 30 Cb 0.63 -0.16 -0.39 0.00 2.79 0.00 0.00 35.95 38.81 2hgl h PHE 30 CO 0.06 0.29 -0.34 1.28 -2.23 0.00 0.00 178.31 177.37 2hgl n LEU 31 N -4.48 5.57 0.15 0.59 4.77 -0.99 -4.65 117.00 117.96 2hgl n LEU 31 Ca 0.05 -4.82 0.08 0.00 -0.03 0.00 0.00 56.01 51.29 2hgl n LEU 31 Cb 0.16 -0.55 0.42 0.00 -2.33 0.00 0.00 43.42 41.12 2hgl n LEU 31 CO 0.35 2.01 0.78 -1.54 -1.33 0.00 0.00 177.39 177.66 2hgl n SER 32 N -0.66 0.40 0.25 -1.43 3.41 -0.63 -0.93 113.62 114.03 2hgl n SER 32 Ca 0.47 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.83 2hgl n SER 32 Cb 0.76 -0.64 0.60 0.00 -0.26 0.00 0.00 64.21 64.68 2hgl n SER 32 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2hgl h ASP 33 N 0.00 0.00 -4.45 4.04 5.19 -1.87 -3.49 116.42 115.84 2hgl h ASP 33 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 2hgl h ASP 33 Cb 0.29 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.65 2hgl h ASP 33 CO 0.00 0.16 -0.71 0.00 -3.12 0.00 0.00 179.24 175.57 2hgl s THR 35 N -3.20 3.94 0.13 0.00 2.01 -1.26 -5.01 115.64 112.24 2hgl s THR 35 Ca 0.10 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.80 2hgl s THR 35 Cb 0.02 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 2hgl s THR 35 CO -0.03 0.49 0.15 -0.63 -0.69 0.00 0.00 174.62 173.92 2hgl s ILE 36 N 0.37 4.72 -1.39 1.82 -1.09 -1.26 -0.69 121.20 123.69 2hgl s ILE 36 Ca -0.04 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.40 2hgl s ILE 36 Cb -0.14 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 2hgl s ILE 36 CO 0.03 -0.02 2.52 1.57 -1.23 0.00 0.00 174.94 177.80 2hgl n HIS 37 N -0.11 2.55 0.00 3.97 -0.00 -0.84 -3.76 115.22 117.03 2hgl n HIS 37 Ca -0.08 -2.77 0.00 0.00 -0.00 0.00 0.00 57.72 54.87 2hgl n HIS 37 Cb 0.53 -2.32 0.00 0.00 -0.00 0.00 0.00 29.99 28.20 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 4.81 0.00 0.00 0.26 2.03 -1.26 -3.85 116.55 118.54 2hgl n ASP 38 Ca 0.63 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2hgl n ASP 38 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.00 0.35 0.27 0.27 0.00 -1.25 -4.83 105.19 100.00 2hgl n GLY 39 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.93 2hgl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgl h ALA 40 N 0.00 1.51 -0.01 4.61 0.00 -1.93 -0.41 119.26 123.03 2hgl h ALA 40 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hgl h ALA 40 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2hgl h ALA 40 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2hgl n ALA 41 N -2.35 2.56 -1.64 0.00 0.00 -1.26 -3.30 120.51 114.52 2hgl n ALA 41 Ca -0.02 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.38 2hgl n ALA 41 Cb 0.16 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 0.70 3.18 3.15 0.00 0.00 -0.17 -4.85 105.19 107.19 2hgl n GLY 42 Ca 0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2hgl n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgl s VAL 43 N -1.75 0.67 -0.13 1.61 0.11 -1.19 -0.25 120.40 119.47 2hgl s VAL 43 Ca 0.25 -1.76 -0.12 0.00 -2.93 0.00 0.00 61.98 57.42 2hgl s VAL 43 Cb 0.24 -1.46 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2hgl s VAL 43 CO -0.03 -0.77 0.35 -1.00 -3.33 0.00 0.00 175.10 170.32 2hgl s HIS 44 N -3.16 -0.38 -0.09 1.54 0.09 0.60 -4.96 115.29 108.93 2hgl s HIS 44 Ca 0.07 0.93 0.04 0.00 -0.00 0.00 0.00 55.06 56.11 2hgl s HIS 44 Cb 0.02 0.13 -0.00 0.00 -0.00 0.00 0.00 32.58 32.73 2hgl s HIS 44 CO -0.04 -0.19 -0.24 -0.06 -0.00 0.00 0.00 174.74 174.22 2hgl s PHE 45 N 0.22 2.50 0.35 1.40 0.08 -1.26 -0.80 117.98 120.47 2hgl s PHE 45 Ca -0.00 -0.96 -0.10 0.00 0.12 0.00 0.00 56.93 55.98 2hgl s PHE 45 Cb -0.03 -1.67 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2hgl s PHE 45 CO 0.00 -0.37 0.70 0.42 -0.10 0.00 0.00 175.22 175.87 2hgl s ILE 46 N 0.24 4.84 -0.02 0.64 -1.09 -0.67 -4.98 121.20 120.16 2hgl s ILE 46 Ca -0.16 0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 2hgl s ILE 46 Cb -0.17 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2hgl s ILE 46 CO 0.08 -0.39 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.06 2hgl s TYR 47 N -2.21 0.46 -0.53 3.97 1.51 -1.26 -1.65 117.35 117.64 2hgl s TYR 47 Ca 0.50 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2hgl s TYR 47 Cb -0.10 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 2hgl s TYR 47 CO 0.28 -0.10 0.55 0.25 -1.11 0.00 0.00 175.55 175.42 2hgl n THR 48 N 3.73 0.35 -0.94 -0.71 -2.24 0.29 -4.73 114.28 110.02 2hgl n THR 48 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2hgl n THR 48 Cb 0.53 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2hgl n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hgl n ARG 49 N 0.36 -0.13 0.00 -0.78 5.12 -1.26 -4.77 116.66 115.20 2hgl n ARG 49 Ca 0.00 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2hgl n ARG 49 Cb 0.27 -3.03 0.00 0.00 -1.16 0.00 0.00 32.46 28.54 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 -2.11 0.59 0.00 5.56 0.00 -1.26 -5.08 120.64 118.33 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 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 31.44 30.79 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 1.88 0.00 3.34 -1.84 0.00 -1.26 -5.19 105.19 102.12 2hgl n GLY 51 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2hgl n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hgl s ARG 52 N 0.00 0.88 0.92 1.61 3.52 -1.26 -5.01 118.95 119.61 2hgl s ARG 52 Ca 0.00 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.30 2hgl s ARG 52 Cb 0.00 0.40 0.15 0.00 -1.56 0.00 0.00 34.95 33.94 2hgl s ARG 52 CO 0.00 -0.29 1.11 -0.65 -0.81 0.00 0.00 175.30 174.67 2hgl s GLN 53 N -1.91 0.99 0.33 5.12 -0.21 -1.26 -0.55 119.66 122.17 2hgl s GLN 53 Ca -0.09 1.31 0.03 0.00 0.02 0.00 0.00 55.36 56.63 2hgl s GLN 53 Cb -0.02 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 2hgl s GLN 53 CO 0.02 -2.57 0.12 0.45 -2.12 0.00 0.00 175.29 171.19 2hgl s SER 54 N -2.86 1.95 0.00 5.90 0.15 -0.66 -4.61 113.70 113.57 2hgl s SER 54 Ca 0.66 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2hgl s SER 54 Cb -0.22 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2hgl s SER 54 CO 0.58 -0.81 1.36 0.61 1.20 0.00 0.00 173.24 176.19 2hgl n GLY 55 N -0.66 1.97 3.06 9.45 0.00 -1.26 -4.70 105.19 113.05 2hgl n GLY 55 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.30 0.52 0.21 1.61 2.02 -1.26 -0.61 118.70 121.49 2hgl s GLU 56 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 2hgl s GLU 56 Cb 0.00 -0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.01 2hgl s GLU 56 CO 0.00 0.05 0.96 0.00 0.02 0.00 0.00 175.26 176.28 2hgl s ALA 57 N -1.35 -1.45 -0.13 5.21 0.00 0.69 -1.66 121.76 123.07 2hgl s ALA 57 Ca -0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 2hgl s ALA 57 Cb -0.10 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2hgl s ALA 57 CO 0.00 -1.04 0.34 -0.06 0.00 0.00 0.00 175.76 175.00 2hgl s PHE 58 N -2.65 -0.38 -0.22 0.00 0.40 0.02 -0.33 117.98 114.81 2hgl s PHE 58 Ca 0.17 0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 2hgl s PHE 58 Cb -0.03 0.13 0.06 0.00 0.51 0.00 0.00 43.02 43.70 2hgl s PHE 58 CO 0.05 -0.19 0.00 0.08 0.70 0.00 0.00 175.22 175.86 2hgl s VAL 59 N 0.27 0.99 -0.64 -0.44 1.01 0.81 -0.29 120.40 122.11 2hgl s VAL 59 Ca -0.01 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2hgl s VAL 59 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2hgl s VAL 59 CO -0.00 -0.19 2.02 -1.61 0.00 0.00 0.00 175.10 175.31 2hgl s GLU 60 N 1.64 2.45 1.11 2.72 0.41 0.66 -0.66 118.70 127.01 2hgl s GLU 60 Ca -0.02 0.62 -0.14 0.00 -0.41 0.00 0.00 54.97 55.02 2hgl s GLU 60 Cb -0.18 -4.56 0.25 0.00 -1.78 0.00 0.00 34.13 27.86 2hgl s GLU 60 CO -0.08 -3.05 1.06 -0.51 -0.49 0.00 0.00 175.26 172.20 2hgl s LEU 61 N 10.21 1.04 0.00 1.80 1.02 0.67 -1.98 118.68 131.43 2hgl s LEU 61 Ca 0.75 1.18 0.26 0.00 0.02 0.00 0.00 54.13 56.34 2hgl s LEU 61 Cb -0.13 -3.17 0.54 0.00 0.02 0.00 0.00 46.19 43.45 2hgl s LEU 61 CO 0.18 -3.75 1.45 0.61 0.02 0.00 0.00 176.35 174.86 2hgl n GLY 62 N -0.36 0.54 3.83 -3.19 0.00 0.13 -3.53 105.19 102.61 2hgl n GLY 62 Ca 0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 2hgl n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hgl s SER 63 N -2.03 -0.10 0.33 1.61 0.15 -1.26 -4.84 113.70 107.56 2hgl s SER 63 Ca 0.32 -0.92 0.18 0.00 0.70 0.00 0.00 55.95 56.22 2hgl s SER 63 Cb 0.20 0.80 0.26 0.00 -1.71 0.00 0.00 66.02 65.57 2hgl s SER 63 CO 0.33 -1.54 1.54 -0.08 1.20 0.00 0.00 173.24 174.68 2hgl h GLU 64 N 2.00 0.00 -0.04 5.44 4.81 -1.90 -2.22 114.58 122.66 2hgl h GLU 64 Ca -0.27 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2hgl h GLU 64 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2hgl h GLU 64 CO 0.33 0.38 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.43 2hgl h ASP 65 N 0.00 0.06 -0.57 1.04 5.19 -1.98 0.18 116.42 120.33 2hgl h ASP 65 Ca -0.00 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2hgl h ASP 65 Cb 1.22 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 2hgl h ASP 65 CO 0.05 0.19 0.02 0.44 -3.12 0.00 0.00 179.24 176.82 2hgl h ASP 66 N 0.06 0.99 0.23 6.45 3.32 -1.80 -0.36 116.42 125.32 2hgl h ASP 66 Ca 0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2hgl h ASP 66 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2hgl h ASP 66 CO 0.02 1.04 -0.23 -0.37 -1.72 0.00 0.00 179.24 177.98 2hgl h VAL 67 N 0.94 0.51 -0.61 -1.35 -1.51 -0.65 -1.17 116.25 112.41 2hgl h VAL 67 Ca 0.17 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.75 2hgl h VAL 67 Cb 0.52 0.51 -0.08 0.00 -2.13 0.00 0.00 31.29 30.11 2hgl h VAL 67 CO 0.03 0.00 0.16 0.11 -1.23 0.00 0.00 177.57 176.64 2hgl h LYS 68 N -0.49 0.30 0.00 5.19 1.57 -1.01 0.18 116.57 122.31 2hgl h LYS 68 Ca -0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2hgl h LYS 68 Cb 0.46 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2hgl h LYS 68 CO -0.05 0.20 -0.13 0.52 -0.57 0.00 0.00 179.45 179.42 2hgl h MET 69 N 0.31 0.00 0.16 3.15 2.86 -0.87 -2.25 114.93 118.28 2hgl h MET 69 Ca 0.32 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.65 2hgl h MET 69 Cb 0.46 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 2hgl h MET 69 CO -0.38 0.13 -1.49 0.00 1.06 0.00 0.00 176.91 176.23 2hgl h ALA 70 N 1.87 0.14 -0.04 6.32 0.00 -0.07 -3.36 119.26 124.12 2hgl h ALA 70 Ca -0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 2hgl h ALA 70 Cb 0.48 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hgl h ALA 70 CO 0.02 1.01 -0.14 -0.07 0.00 0.00 0.00 179.25 180.06 2hgl h LEU 71 N 0.09 0.06 -2.68 0.00 3.38 -0.33 -1.61 115.31 114.21 2hgl h LEU 71 Ca -0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2hgl h LEU 71 Cb 2.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2hgl h LEU 71 CO 0.19 0.21 0.00 0.07 0.09 0.00 0.00 178.44 179.00 2hgl h LYS 72 N 0.06 0.00 -0.34 1.13 2.10 -1.56 -1.48 116.57 116.48 2hgl h LYS 72 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2hgl h LYS 72 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2hgl h LYS 72 CO 0.02 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.10 2hgl n LYS 73 N -3.03 2.05 0.00 0.07 5.02 -0.61 -4.83 118.16 116.83 2hgl n LYS 73 Ca -0.02 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2hgl n LYS 73 Cb 0.10 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2hgl n LYS 73 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2hgl n ASP 74 N 0.80 0.00 0.00 4.39 5.75 -0.56 -1.91 116.55 125.03 2hgl n ASP 74 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 2hgl n ASP 74 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2hgl n ASP 74 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2hgl n ARG 75 N -0.73 0.00 0.00 0.11 3.00 -1.25 -2.82 116.66 114.97 2hgl n ARG 75 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2hgl n ARG 75 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 32.46 32.16 2hgl n ARG 75 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2hgl n GLU 76 N 0.00 0.90 -3.87 -0.14 0.28 -0.80 -4.71 120.64 112.31 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 0.38 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.17 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 -1.09 0.11 -0.09 -1.84 1.04 -1.26 -0.36 113.70 110.21 2hgl s SER 77 Ca 0.00 -0.53 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 2hgl s SER 77 Cb 0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2hgl s SER 77 CO 0.00 -0.62 0.54 -0.32 0.98 0.00 0.00 173.24 173.81 2hgl s MET 78 N -3.16 0.82 -1.41 4.02 1.75 -0.34 -4.88 119.30 116.10 2hgl s MET 78 Ca -0.00 0.29 -0.06 0.00 -1.25 0.00 0.00 55.69 54.66 2hgl s MET 78 Cb 0.02 0.39 0.01 0.00 2.84 0.00 0.00 34.83 38.08 2hgl s MET 78 CO -0.07 -0.21 0.85 0.41 -0.65 0.00 0.00 175.02 175.35 2hgl n GLY 79 N 1.58 -0.48 2.45 2.11 0.00 -1.26 -1.99 105.19 107.60 2hgl n GLY 79 Ca -0.18 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2hgl n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgl n HIS 80 N -4.69 -0.59 -4.04 1.61 -0.00 -1.26 -4.82 115.22 101.43 2hgl n HIS 80 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.58 2hgl n HIS 80 Cb 0.59 -3.57 -0.11 0.00 -0.00 0.00 0.00 29.99 26.91 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2hgl s ARG 81 N -4.38 0.46 0.33 -0.41 1.81 -0.84 -5.06 118.95 110.87 2hgl s ARG 81 Ca 0.00 -0.89 -0.26 0.00 -1.72 0.00 0.00 55.73 52.86 2hgl s ARG 81 Cb 0.00 0.11 -0.10 0.00 -0.45 0.00 0.00 34.95 34.51 2hgl s ARG 81 CO 0.00 -0.07 0.99 0.71 -0.68 0.00 0.00 175.30 176.25 2hgl s TYR 82 N -2.51 3.61 -0.55 -0.53 2.02 -1.25 -1.20 117.35 116.94 2hgl s TYR 82 Ca -0.05 1.76 0.06 0.00 -0.37 0.00 0.00 57.07 58.46 2hgl s TYR 82 Cb -0.02 -3.02 0.21 0.00 -0.40 0.00 0.00 41.96 38.73 2hgl s TYR 82 CO -0.05 -0.05 0.55 -0.89 -1.57 0.00 0.00 175.55 173.54 2hgl n ILE 83 N 0.59 0.72 -1.75 2.71 2.08 0.51 -0.86 119.36 123.36 2hgl n ILE 83 Ca 0.02 -4.48 -0.42 0.00 0.56 0.00 0.00 62.75 58.44 2hgl n ILE 83 Cb 0.49 -2.00 -0.01 0.00 -0.75 0.00 0.00 39.64 37.37 2hgl n ILE 83 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2hgl n GLU 84 N 1.68 2.62 -3.86 0.38 1.02 0.11 -3.93 120.64 118.66 2hgl n GLU 84 Ca 0.25 0.92 -0.30 0.00 -0.02 0.00 0.00 57.16 58.01 2hgl n GLU 84 Cb 0.44 -2.66 -0.15 0.00 -0.02 0.00 0.00 31.44 29.05 2hgl n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2hgl s VAL 85 N -0.67 1.48 0.08 2.62 1.01 -1.13 -1.32 120.40 122.47 2hgl s VAL 85 Ca 0.58 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 2hgl s VAL 85 Cb -0.50 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2hgl s VAL 85 CO 0.58 -0.64 0.45 -0.36 0.00 0.00 0.00 175.10 175.13 2hgl s PHE 86 N 1.31 3.64 0.22 5.22 0.40 0.00 -4.55 117.98 124.22 2hgl s PHE 86 Ca 0.10 0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 57.07 2hgl s PHE 86 Cb -0.18 -2.27 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 2hgl s PHE 86 CO -0.18 0.53 1.26 0.21 0.70 0.00 0.00 175.22 177.74 2hgl s LYS 87 N -1.69 4.43 0.21 0.44 2.20 -1.26 -0.21 119.74 123.86 2hgl s LYS 87 Ca 0.32 2.00 -0.09 0.00 -0.36 0.00 0.00 55.97 57.84 2hgl s LYS 87 Cb -0.15 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2hgl s LYS 87 CO 0.17 -0.16 0.35 -1.12 -0.36 0.00 0.00 175.35 174.24 2hgl s SER 88 N 0.09 -0.01 0.18 1.43 0.01 -0.75 -4.75 113.70 109.89 2hgl s SER 88 Ca 0.54 -0.99 0.10 0.00 1.31 0.00 0.00 55.95 56.91 2hgl s SER 88 Cb -0.35 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2hgl s SER 88 CO 0.40 -1.01 -0.21 -1.00 0.41 0.00 0.00 173.24 171.83 2hgl s HIS 89 N -4.03 2.05 0.17 2.43 0.09 -1.26 -3.83 115.29 110.92 2hgl s HIS 89 Ca 0.24 -0.41 -0.14 0.00 -0.00 0.00 0.00 55.06 54.75 2hgl s HIS 89 Cb 0.02 -1.02 0.06 0.00 -0.00 0.00 0.00 32.58 31.64 2hgl s HIS 89 CO 0.07 0.41 1.83 -0.09 -0.00 0.00 0.00 174.74 176.95 2hgl h ARG 90 N 3.27 0.70 -0.26 1.40 2.43 -1.26 -0.47 114.38 120.19 2hgl h ARG 90 Ca -0.44 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.53 2hgl h ARG 90 Cb 1.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2hgl h ARG 90 CO 0.49 0.48 -0.42 1.15 -1.51 0.00 0.00 179.97 180.16 2hgl h THR 91 N 0.71 1.30 0.10 0.20 2.02 -1.98 -0.70 112.91 114.56 2hgl h THR 91 Ca 0.19 -1.59 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 2hgl h THR 91 Cb -0.06 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2hgl h THR 91 CO -0.04 0.51 -0.05 -0.08 0.37 0.00 0.00 175.52 176.23 2hgl h GLU 92 N 0.53 -0.13 -0.96 6.66 4.81 -1.90 -2.53 114.58 121.05 2hgl h GLU 92 Ca 0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2hgl h GLU 92 Cb 0.94 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2hgl h GLU 92 CO 0.09 -0.08 0.62 1.98 -0.73 0.00 0.00 179.01 180.88 2hgl h MET 93 N -0.14 1.13 -0.03 1.92 4.05 -0.91 -1.67 114.93 119.29 2hgl h MET 93 Ca -0.01 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 2hgl h MET 93 Cb 0.10 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 2hgl h MET 93 CO 0.02 0.75 -0.22 0.22 0.23 0.00 0.00 176.91 177.91 2hgl h ASP 94 N 1.17 0.05 0.51 1.39 1.82 -1.04 -2.62 116.42 117.70 2hgl h ASP 94 Ca 0.40 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.00 2hgl h ASP 94 Cb 0.07 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.07 2hgl h ASP 94 CO -0.14 0.28 -0.25 -0.25 -1.61 0.00 0.00 179.24 177.27 2hgl h TRP 95 N 0.05 -0.64 -0.11 0.28 -0.00 -0.95 -3.39 115.95 111.19 2hgl h TRP 95 Ca 0.01 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.73 2hgl h TRP 95 Cb 0.42 0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.78 2hgl h TRP 95 CO 0.00 -0.33 -0.58 -0.39 -0.00 0.00 0.00 178.44 177.14 2hgl h VAL 96 N -1.10 1.36 0.00 2.65 -1.51 -0.98 -0.80 116.25 115.87 2hgl h VAL 96 Ca -0.07 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 2hgl h VAL 96 Cb 0.59 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2hgl h VAL 96 CO 0.12 0.57 0.00 -0.07 -1.23 0.00 0.00 177.57 176.95 2hgl h LEU 97 N 0.28 0.00 0.00 4.19 4.07 -1.70 -3.39 115.31 118.76 2hgl h LEU 97 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2hgl h LEU 97 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2hgl h LEU 97 CO 0.10 0.00 -0.46 1.17 -1.08 0.00 0.00 178.44 178.16 2hgl n LYS 98 N -2.63 0.00 0.00 1.13 4.81 -1.02 -4.90 118.16 115.55 2hgl n LYS 98 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgl n LYS 98 Cb 0.18 -0.32 0.00 0.00 0.02 0.00 0.00 35.03 34.91 2hgl n LYS 98 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2hgl n HIS 99 N -3.01 0.00 -1.65 5.64 -0.00 -0.34 -1.13 115.22 114.74 2hgl n HIS 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2hgl n HIS 99 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 2hgl n HIS 99 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2hgl n SER 100 N 0.00 0.00 0.00 0.26 7.64 -1.26 -5.09 113.62 115.17 2hgl n SER 100 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2hgl n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgl n GLY 101 N 0.00 -0.37 0.00 0.23 0.00 -0.28 -5.31 105.19 99.46 2hgl n GLY 101 Ca 0.00 0.31 0.09 0.00 0.00 0.00 0.00 46.02 46.42 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77