#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 1.10 0.25 2.12 1.75 -1.26 -5.04 119.30 118.21 2hgl s MET 2 Ca 0.00 -1.43 -0.31 0.00 -1.25 0.00 0.00 55.69 52.70 2hgl s MET 2 Cb 0.00 0.29 -0.11 0.00 2.84 0.00 0.00 34.83 37.85 2hgl s MET 2 CO 0.00 -0.36 1.61 -1.17 -0.65 0.00 0.00 175.02 174.45 2hgl s LEU 3 N -3.06 4.36 0.00 4.11 2.96 -1.26 -4.90 118.68 120.88 2hgl s LEU 3 Ca 0.27 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 2hgl s LEU 3 Cb 0.06 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2hgl s LEU 3 CO 0.05 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 2hgl n GLY 4 N 2.88 -2.02 0.28 7.98 0.00 -1.26 -4.27 105.19 108.78 2hgl n GLY 4 Ca 0.11 0.61 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 2hgl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgl h PRO 5 N 0.00 0.94 0.00 1.61 0.13 -1.90 -3.44 132.00 129.34 2hgl h PRO 5 Ca 0.00 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 2hgl h PRO 5 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 2hgl h PRO 5 CO 0.00 0.80 -0.02 -1.91 -0.23 0.00 0.00 178.00 176.64 2hgl n GLU 6 N -4.43 0.13 0.00 0.86 4.07 -1.26 -1.22 120.64 118.79 2hgl n GLU 6 Ca 0.04 -0.48 0.00 0.00 -0.06 0.00 0.00 57.16 56.66 2hgl n GLU 6 Cb 0.18 0.47 0.00 0.00 -0.06 0.00 0.00 31.44 32.02 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hgl n GLY 7 N -0.10 0.47 3.60 8.31 0.00 -1.26 -4.90 105.19 111.30 2hgl n GLY 7 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2hgl n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgl s GLY 8 N 0.00 -0.38 -1.44 -0.02 0.00 -1.26 -5.03 107.32 99.19 2hgl s GLY 8 Ca 0.00 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.91 2hgl s GLY 8 CO 0.00 0.32 0.06 1.18 0.00 0.00 0.00 173.10 174.66 2hgl n GLU 9 N -0.32 -0.88 -0.07 2.90 -0.58 -1.26 -4.82 120.64 115.61 2hgl n GLU 9 Ca -0.04 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2hgl n GLU 9 Cb 0.61 -3.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.20 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgl n GLY 10 N -2.46 1.18 0.96 0.62 0.00 -1.26 -4.44 105.19 99.79 2hgl n GLY 10 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.99 0.00 -1.92 1.61 3.72 -1.26 -4.58 117.46 116.02 2hgl n PHE 11 Ca 0.00 -0.33 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 2hgl n PHE 11 Cb 0.26 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.20 2.40 -0.11 -4.37 1.01 -1.26 -0.50 120.40 117.77 2hgl s VAL 12 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2hgl s VAL 12 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2hgl s VAL 12 CO 0.00 0.06 -0.19 0.68 0.00 0.00 0.00 175.10 175.66 2hgl s VAL 13 N -0.29 2.55 0.31 2.92 -7.23 0.59 -0.90 120.40 118.35 2hgl s VAL 13 Ca 0.58 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.68 2hgl s VAL 13 Cb -0.44 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 2hgl s VAL 13 CO 0.49 0.55 0.87 -0.75 -0.31 0.00 0.00 175.10 175.94 2hgl s LYS 14 N 0.27 4.40 -0.06 4.82 2.20 0.47 -0.24 119.74 131.60 2hgl s LYS 14 Ca -0.13 1.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 2hgl s LYS 14 Cb -0.17 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2hgl s LYS 14 CO 0.07 0.27 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.71 2hgl s LEU 15 N -2.24 1.55 -0.02 5.43 1.02 0.90 -0.41 118.68 124.91 2hgl s LEU 15 Ca 0.50 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.41 2hgl s LEU 15 Cb -0.16 -0.74 0.00 0.00 0.02 0.00 0.00 46.19 45.31 2hgl s LEU 15 CO 0.21 0.01 -0.06 -0.60 0.02 0.00 0.00 176.35 175.92 2hgl s ARG 16 N 0.77 0.70 0.00 1.70 3.00 0.03 -0.95 118.95 124.21 2hgl s ARG 16 Ca -0.13 -0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.39 2hgl s ARG 16 Cb -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 34.95 34.11 2hgl s ARG 16 CO 0.02 0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.81 2hgl n GLY 17 N 3.31 1.02 2.88 8.12 0.00 0.47 -0.10 105.19 120.88 2hgl n GLY 17 Ca -0.18 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.50 -4.60 0.99 -0.00 0.19 -3.96 117.00 105.12 2hgl n LEU 18 Ca 0.00 0.38 -0.34 0.00 -0.00 0.00 0.00 56.01 56.06 2hgl n LEU 18 Cb 0.00 -0.74 0.12 0.00 -0.00 0.00 0.00 43.42 42.80 2hgl n LEU 18 CO 0.00 -5.01 0.49 -2.65 -0.00 0.00 0.00 177.39 170.22 2hgl n PRO 19 N 1.85 0.07 0.00 1.47 -0.02 -1.26 -3.91 135.00 133.19 2hgl n PRO 19 Ca 0.03 0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.60 2hgl n PRO 19 Cb 0.48 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 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 -3.27 0.00 -2.18 6.00 5.03 -1.26 -2.39 117.44 119.37 2hgl n TRP 20 Ca 0.12 0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.64 2hgl n TRP 20 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.77 2hgl n TRP 20 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2hgl n SER 21 N -0.58 0.00 -4.60 -0.99 7.64 -1.26 -3.61 113.62 110.22 2hgl n SER 21 Ca 0.01 -1.86 -0.35 0.00 1.01 0.00 0.00 58.87 57.69 2hgl n SER 21 Cb 0.00 -0.03 0.10 0.00 -1.01 0.00 0.00 64.21 63.27 2hgl n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgl s SER 23 N -1.78 0.66 0.21 0.00 1.04 -1.26 -5.00 113.70 107.57 2hgl s SER 23 Ca 0.71 -1.51 0.26 0.00 0.48 0.00 0.00 55.95 55.88 2hgl s SER 23 Cb -0.32 0.44 0.85 0.00 0.10 0.00 0.00 66.02 67.09 2hgl s SER 23 CO 0.53 -0.91 1.77 0.55 0.98 0.00 0.00 173.24 176.15 2hgl n VAL 24 N -0.39 0.62 0.07 5.02 3.14 -1.26 -0.87 118.33 124.66 2hgl n VAL 24 Ca 0.04 -0.20 -0.17 0.00 -2.96 0.00 0.00 64.34 61.05 2hgl n VAL 24 Cb 0.65 -0.67 -0.08 0.00 -1.06 0.00 0.00 33.84 32.67 2hgl n VAL 24 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2hgl h GLU 25 N 0.00 0.49 -0.22 1.45 3.07 -1.97 -3.01 114.58 114.39 2hgl h GLU 25 Ca 0.00 -0.58 0.03 0.00 -0.50 0.00 0.00 59.36 58.31 2hgl h GLU 25 Cb 0.67 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 2hgl h GLU 25 CO 0.00 1.21 0.05 0.22 -1.40 0.00 0.00 179.01 179.10 2hgl h ASP 26 N 0.25 0.04 -0.50 1.42 3.58 -1.91 0.97 116.42 120.27 2hgl h ASP 26 Ca -0.12 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2hgl h ASP 26 Cb 1.71 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.77 2hgl h ASP 26 CO 0.19 0.05 0.29 1.62 -2.88 0.00 0.00 179.24 178.51 2hgl h VAL 27 N 0.15 1.16 0.00 2.25 3.04 -1.04 0.69 116.25 122.50 2hgl h VAL 27 Ca 0.10 -0.39 -0.11 0.00 -1.01 0.00 0.00 66.70 65.28 2hgl h VAL 27 Cb 0.08 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 2hgl h VAL 27 CO -0.12 0.17 -2.03 0.00 -1.01 0.00 0.00 177.57 174.58 2hgl n GLN 28 N -4.41 0.66 -0.07 4.17 10.64 -1.14 -2.83 117.38 124.41 2hgl n GLN 28 Ca 0.04 -0.11 -0.14 0.00 -1.83 0.00 0.00 57.00 54.97 2hgl n GLN 28 Cb 0.09 -1.55 -0.02 0.00 -0.86 0.00 0.00 30.24 27.90 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 0.92 -0.85 2.61 -1.24 -0.75 -0.83 115.58 115.44 2hgl h ASN 29 Ca -0.16 -0.49 0.11 0.00 0.71 0.00 0.00 56.30 56.46 2hgl h ASN 29 Cb 1.39 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 40.11 2hgl h ASN 29 CO 0.01 1.28 0.55 0.15 -1.29 0.00 0.00 177.43 178.14 2hgl h PHE 30 N 0.64 0.85 -1.40 0.67 3.57 -0.94 -2.74 116.94 117.59 2hgl h PHE 30 Ca 0.01 0.02 -0.62 0.00 3.53 0.00 0.00 57.97 60.92 2hgl h PHE 30 Cb 1.14 -0.27 -0.38 0.00 2.79 0.00 0.00 35.95 39.23 2hgl h PHE 30 CO 0.07 0.38 -0.29 1.28 -2.23 0.00 0.00 178.31 177.51 2hgl n LEU 31 N -4.53 5.52 0.16 0.59 4.77 -1.13 -4.69 117.00 117.69 2hgl n LEU 31 Ca 0.15 -4.98 0.10 0.00 -0.03 0.00 0.00 56.01 51.25 2hgl n LEU 31 Cb 0.36 -0.59 0.52 0.00 -2.33 0.00 0.00 43.42 41.38 2hgl n LEU 31 CO 0.31 2.06 0.82 -1.54 -1.33 0.00 0.00 177.39 177.71 2hgl n SER 32 N -0.57 0.49 0.27 -1.43 3.41 -0.33 -0.84 113.62 114.62 2hgl n SER 32 Ca 0.45 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.87 2hgl n SER 32 Cb 0.65 -0.73 0.73 0.00 -0.26 0.00 0.00 64.21 64.60 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 -4.41 4.04 5.19 -1.86 -3.49 116.42 115.89 2hgl h ASP 33 Ca 0.00 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.01 2hgl h ASP 33 Cb 0.18 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 39.49 2hgl h ASP 33 CO 0.00 0.06 -0.77 0.00 -3.12 0.00 0.00 179.24 175.41 2hgl s THR 35 N -1.52 5.23 0.17 0.00 2.01 -1.26 -5.02 115.64 115.25 2hgl s THR 35 Ca 0.00 0.76 0.06 0.00 0.31 0.00 0.00 61.69 62.82 2hgl s THR 35 Cb -0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2hgl s THR 35 CO 0.02 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.79 2hgl s ILE 36 N 0.46 4.25 -0.37 1.82 -1.09 -1.26 -0.88 121.20 124.13 2hgl s ILE 36 Ca 0.22 -1.21 -0.20 0.00 -2.23 0.00 0.00 60.65 57.22 2hgl s ILE 36 Cb -0.14 -3.17 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2hgl s ILE 36 CO 0.08 -0.13 0.63 -2.28 -1.23 0.00 0.00 174.94 172.01 2hgl s HIS 37 N -1.78 3.14 0.00 3.97 5.65 -0.57 -4.21 115.29 121.49 2hgl s HIS 37 Ca 0.30 0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.89 2hgl s HIS 37 Cb -0.10 -3.16 0.00 0.00 -1.18 0.00 0.00 32.58 28.14 2hgl s HIS 37 CO 0.22 -0.66 0.00 -0.25 -0.65 0.00 0.00 174.74 173.40 2hgl n ASP 38 N 6.06 0.00 0.00 9.88 8.00 -1.26 -3.53 116.55 135.70 2hgl n ASP 38 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2hgl n ASP 38 Cb 0.48 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2hgl n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hgl n GLY 39 N -2.00 1.29 0.00 0.44 0.00 -1.26 -1.75 105.19 101.90 2hgl n GLY 39 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.62 -1.04 4.61 0.00 -1.26 -4.59 120.51 118.85 2hgl n ALA 40 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2hgl n ALA 40 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.15 4.29 0.11 0.00 0.00 -0.72 -4.39 120.51 119.66 2hgl n ALA 41 Ca 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 53.44 51.13 2hgl n ALA 41 Cb 0.08 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 0.42 3.10 0.00 0.00 -1.23 -0.57 105.19 106.79 2hgl n GLY 42 Ca 0.36 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.04 1.07 -0.14 1.61 -7.23 -1.26 0.03 120.40 113.44 2hgl s VAL 43 Ca 0.01 -0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 59.50 2hgl s VAL 43 Cb 0.02 -0.89 0.04 0.00 0.56 0.00 0.00 36.38 36.11 2hgl s VAL 43 CO 0.08 0.30 0.35 -1.00 -0.31 0.00 0.00 175.10 174.53 2hgl s HIS 44 N -0.29 -0.43 0.06 2.82 0.09 0.30 -4.99 115.29 112.86 2hgl s HIS 44 Ca 0.05 1.00 0.06 0.00 -0.00 0.00 0.00 55.06 56.16 2hgl s HIS 44 Cb -0.06 0.15 -0.04 0.00 -0.00 0.00 0.00 32.58 32.64 2hgl s HIS 44 CO -0.00 -0.23 -0.09 -0.06 -0.00 0.00 0.00 174.74 174.36 2hgl s PHE 45 N 0.63 2.79 0.08 1.40 0.40 -1.26 -0.64 117.98 121.39 2hgl s PHE 45 Ca -0.04 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2hgl s PHE 45 Cb -0.05 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2hgl s PHE 45 CO -0.04 0.40 0.17 0.42 0.70 0.00 0.00 175.22 176.86 2hgl s ILE 46 N -1.12 5.05 -0.08 0.64 1.01 -0.81 -4.97 121.20 120.92 2hgl s ILE 46 Ca 0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2hgl s ILE 46 Cb -0.11 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 38.94 2hgl s ILE 46 CO 0.11 0.11 0.13 -0.31 0.00 0.00 0.00 174.94 174.99 2hgl s TYR 47 N -1.49 -0.10 -1.42 3.97 2.02 -1.26 -0.44 117.35 118.63 2hgl s TYR 47 Ca 0.33 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.47 2hgl s TYR 47 Cb -0.12 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 2hgl s TYR 47 CO 0.26 -0.28 0.59 0.25 -1.57 0.00 0.00 175.55 174.79 2hgl n THR 48 N 5.32 0.00 0.00 -0.71 -2.24 -0.35 -4.80 114.28 111.49 2hgl n THR 48 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2hgl n THR 48 Cb 0.50 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.16 0.00 0.06 -0.78 5.12 -1.26 -4.77 116.66 114.86 2hgl n ARG 49 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 2hgl n ARG 49 Cb 0.12 -3.44 0.38 0.00 -1.16 0.00 0.00 32.46 28.35 2hgl n ARG 49 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2hgl h GLU 50 N 0.00 0.40 0.00 5.56 5.08 -2.02 -3.46 114.58 120.13 2hgl h GLU 50 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2hgl h GLU 50 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2hgl h GLU 50 CO 0.00 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.84 2hgl n GLY 51 N -1.05 1.56 3.38 -3.84 0.00 -1.26 -5.16 105.19 98.82 2hgl n GLY 51 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 0.86 0.33 1.61 3.52 -1.26 -5.04 118.95 118.98 2hgl s ARG 52 Ca 0.00 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.37 2hgl s ARG 52 Cb 0.00 0.40 -0.11 0.00 -1.56 0.00 0.00 34.95 33.67 2hgl s ARG 52 CO 0.00 -0.25 1.56 -0.65 -0.81 0.00 0.00 175.30 175.15 2hgl s GLN 53 N -1.20 4.10 0.95 5.12 1.11 -1.24 -1.22 119.66 127.28 2hgl s GLN 53 Ca -0.12 2.60 -0.13 0.00 0.01 0.00 0.00 55.36 57.73 2hgl s GLN 53 Cb -0.03 -2.99 0.16 0.00 -1.01 0.00 0.00 33.01 29.14 2hgl s GLN 53 CO 0.07 -0.61 1.14 0.45 0.01 0.00 0.00 175.29 176.35 2hgl s SER 54 N 0.23 3.18 -0.11 5.90 0.15 0.42 -4.49 113.70 118.99 2hgl s SER 54 Ca 0.59 0.90 -0.02 0.00 0.70 0.00 0.00 55.95 58.12 2hgl s SER 54 Cb -0.48 -1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 62.40 2hgl s SER 54 CO 0.55 -2.75 2.48 0.61 1.20 0.00 0.00 173.24 175.33 2hgl n GLY 55 N -2.13 3.12 2.98 9.45 0.00 -1.25 -4.65 105.19 112.70 2hgl n GLY 55 Ca 0.08 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.28 0.26 0.28 1.61 2.02 -1.26 -0.40 118.70 120.94 2hgl s GLU 56 Ca 0.28 -0.40 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 2hgl s GLU 56 Cb 0.16 0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.54 2hgl s GLU 56 CO -0.02 -0.05 0.81 0.00 0.02 0.00 0.00 175.26 176.02 2hgl s ALA 57 N -1.05 -1.20 -0.05 5.21 0.00 -0.12 -1.93 121.76 122.63 2hgl s ALA 57 Ca -0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 2hgl s ALA 57 Cb -0.07 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2hgl s ALA 57 CO -0.00 -1.03 0.20 -0.06 0.00 0.00 0.00 175.76 174.87 2hgl s PHE 58 N -3.21 -0.15 -0.16 0.00 0.40 0.19 -0.07 117.98 114.98 2hgl s PHE 58 Ca 0.13 0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 2hgl s PHE 58 Cb -0.05 0.04 0.07 0.00 0.51 0.00 0.00 43.02 43.60 2hgl s PHE 58 CO 0.07 -0.19 0.18 0.08 0.70 0.00 0.00 175.22 176.06 2hgl s VAL 59 N -0.48 -0.26 -0.44 -0.44 1.01 0.67 -0.54 120.40 119.93 2hgl s VAL 59 Ca -0.06 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2hgl s VAL 59 Cb -0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2hgl s VAL 59 CO 0.01 -0.11 2.06 -1.61 0.00 0.00 0.00 175.10 175.46 2hgl s GLU 60 N 2.28 2.75 0.94 2.72 2.02 0.10 -0.30 118.70 129.22 2hgl s GLU 60 Ca 0.05 1.30 -0.12 0.00 0.02 0.00 0.00 54.97 56.21 2hgl s GLU 60 Cb -0.15 -4.39 0.15 0.00 0.10 0.00 0.00 34.13 29.85 2hgl s GLU 60 CO -0.09 -2.55 1.13 -0.51 0.02 0.00 0.00 175.26 173.25 2hgl s LEU 61 N 9.28 1.88 0.00 1.80 1.43 0.34 -1.52 118.68 131.89 2hgl s LEU 61 Ca 0.85 1.00 0.27 0.00 -1.03 0.00 0.00 54.13 55.22 2hgl s LEU 61 Cb -0.20 -3.27 0.91 0.00 0.03 0.00 0.00 46.19 43.66 2hgl s LEU 61 CO 0.28 -2.73 1.67 0.61 0.23 0.00 0.00 176.35 176.41 2hgl n GLY 62 N -1.93 -1.07 3.82 -3.19 0.00 -0.06 -3.49 105.19 99.27 2hgl n GLY 62 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.74 -0.11 0.03 1.61 1.04 -1.26 -4.85 113.70 107.42 2hgl s SER 63 Ca 0.20 -0.65 0.28 0.00 0.48 0.00 0.00 55.95 56.25 2hgl s SER 63 Cb 0.19 0.60 1.07 0.00 0.10 0.00 0.00 66.02 67.98 2hgl s SER 63 CO 0.56 -1.15 1.83 1.21 0.98 0.00 0.00 173.24 176.67 2hgl n GLU 64 N -0.54 0.04 0.09 4.02 2.13 -1.26 -1.30 120.64 123.81 2hgl n GLU 64 Ca -0.05 0.03 -0.07 0.00 0.66 0.00 0.00 57.16 57.72 2hgl n GLU 64 Cb 0.60 -1.54 0.02 0.00 0.27 0.00 0.00 31.44 30.79 2hgl n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2hgl h ASP 65 N 0.00 0.23 -0.31 4.31 3.32 -1.98 -2.16 116.42 119.82 2hgl h ASP 65 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.88 2hgl h ASP 65 Cb 0.53 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2hgl h ASP 65 CO 0.00 0.95 0.19 0.44 -1.72 0.00 0.00 179.24 179.10 2hgl h ASP 66 N 0.11 0.32 -0.27 6.45 3.32 -1.79 -0.42 116.42 124.14 2hgl h ASP 66 Ca -0.03 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2hgl h ASP 66 Cb 1.42 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 2hgl h ASP 66 CO 0.12 0.23 -0.05 -0.37 -1.72 0.00 0.00 179.24 177.46 2hgl h VAL 67 N 0.39 0.75 -0.76 -1.35 -1.51 -1.15 -0.69 116.25 111.94 2hgl h VAL 67 Ca 0.12 -0.01 0.13 0.00 -1.23 0.00 0.00 66.70 65.71 2hgl h VAL 67 Cb -0.02 0.73 -0.09 0.00 -2.13 0.00 0.00 31.29 29.78 2hgl h VAL 67 CO -0.04 0.00 0.35 0.11 -1.23 0.00 0.00 177.57 176.76 2hgl h LYS 68 N 0.02 0.52 0.00 5.19 1.57 -1.34 0.24 116.57 122.76 2hgl h LYS 68 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2hgl h LYS 68 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2hgl h LYS 68 CO -0.26 0.34 0.00 0.52 -0.57 0.00 0.00 179.45 179.49 2hgl h MET 69 N 0.54 0.00 0.08 3.15 2.86 -0.09 -0.53 114.93 120.95 2hgl h MET 69 Ca 0.40 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.73 2hgl h MET 69 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2hgl h MET 69 CO -0.35 0.00 -1.68 0.00 1.06 0.00 0.00 176.91 175.94 2hgl h ALA 70 N 2.00 0.45 0.00 6.32 0.00 0.14 -3.37 119.26 124.80 2hgl h ALA 70 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 54.91 53.59 2hgl h ALA 70 Cb 0.35 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2hgl h ALA 70 CO 0.00 1.31 -0.25 -0.07 0.00 0.00 0.00 179.25 180.24 2hgl h LEU 71 N 0.05 0.00 -1.78 0.00 3.38 -0.05 -1.77 115.31 115.14 2hgl h LEU 71 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2hgl h LEU 71 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2hgl h LEU 71 CO 0.12 0.25 0.00 0.07 0.09 0.00 0.00 178.44 178.97 2hgl h LYS 72 N 0.00 0.00 -0.64 1.13 2.10 -1.28 -2.18 116.57 115.70 2hgl h LYS 72 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hgl h LYS 72 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2hgl h LYS 72 CO 0.03 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.11 2hgl n LYS 73 N -2.69 3.48 0.00 0.07 4.76 -0.67 -4.86 118.16 118.24 2hgl n LYS 73 Ca -0.01 -2.81 0.00 0.00 -2.87 0.00 0.00 58.31 52.62 2hgl n LYS 73 Cb 0.14 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.16 0.00 -0.96 4.39 5.75 -0.82 -1.69 116.55 124.38 2hgl n ASP 74 Ca 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.98 2hgl n ASP 74 Cb 0.82 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.86 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 -0.89 0.00 0.00 0.11 1.74 -1.25 -2.43 116.66 113.94 2hgl n ARG 75 Ca 0.00 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 2hgl n ARG 75 Cb 0.00 0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 2hgl n ARG 75 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hgl n GLU 76 N 0.05 -0.93 -4.12 5.56 -0.58 -0.68 -4.78 120.64 115.16 2hgl n GLU 76 Ca -0.19 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.46 2hgl n GLU 76 Cb 0.71 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.48 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2hgl s SER 77 N -1.67 0.76 -0.06 1.62 1.04 -1.26 -0.61 113.70 113.53 2hgl s SER 77 Ca 0.00 -0.99 -0.10 0.00 0.48 0.00 0.00 55.95 55.34 2hgl s SER 77 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2hgl s SER 77 CO 0.00 -0.53 0.25 -0.32 0.98 0.00 0.00 173.24 173.61 2hgl s MET 78 N -3.80 0.43 0.45 4.02 1.75 -0.06 -4.85 119.30 117.23 2hgl s MET 78 Ca 0.08 0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.58 2hgl s MET 78 Cb 0.06 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.93 2hgl s MET 78 CO -0.07 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.62 2hgl n GLY 79 N 2.21 1.24 0.00 2.11 0.00 -1.26 -2.22 105.19 107.26 2hgl n GLY 79 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.00 -3.84 1.61 8.25 -1.26 -5.15 115.22 114.83 2hgl n HIS 80 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2hgl n HIS 80 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2hgl s ARG 81 N -0.04 0.69 0.56 -0.41 1.81 -0.94 -5.05 118.95 115.56 2hgl s ARG 81 Ca 0.00 -0.62 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 2hgl s ARG 81 Cb 0.00 0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.73 2hgl s ARG 81 CO 0.00 -0.20 1.07 0.71 -0.68 0.00 0.00 175.30 176.20 2hgl s TYR 82 N -2.52 2.88 -0.44 -0.53 2.02 -1.25 -0.89 117.35 116.62 2hgl s TYR 82 Ca -0.05 1.54 0.06 0.00 -0.37 0.00 0.00 57.07 58.25 2hgl s TYR 82 Cb -0.01 -3.10 0.20 0.00 -0.40 0.00 0.00 41.96 38.65 2hgl s TYR 82 CO -0.04 -1.19 0.44 -0.89 -1.57 0.00 0.00 175.55 172.31 2hgl n ILE 83 N -1.59 -0.57 -2.13 2.71 2.08 0.22 -0.63 119.36 119.44 2hgl n ILE 83 Ca 0.10 -3.87 -0.43 0.00 0.56 0.00 0.00 62.75 59.11 2hgl n ILE 83 Cb 0.52 -1.84 -0.02 0.00 -0.75 0.00 0.00 39.64 37.55 2hgl n ILE 83 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2hgl s GLU 84 N -0.68 3.70 -0.23 0.38 2.12 0.85 -3.74 118.70 121.10 2hgl s GLU 84 Ca 0.34 1.53 -0.12 0.00 0.36 0.00 0.00 54.97 57.08 2hgl s GLU 84 Cb 0.09 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 2hgl s GLU 84 CO -0.15 -1.41 0.23 0.08 -0.54 0.00 0.00 175.26 173.47 2hgl s VAL 85 N 5.47 5.31 0.05 3.70 1.01 -1.02 -0.79 120.40 134.13 2hgl s VAL 85 Ca 0.71 0.34 0.05 0.00 0.00 0.00 0.00 61.98 63.09 2hgl s VAL 85 Cb -0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2hgl s VAL 85 CO 0.30 0.32 -0.08 -0.36 0.00 0.00 0.00 175.10 175.27 2hgl s PHE 86 N 1.12 2.81 0.02 5.22 0.40 0.45 -4.63 117.98 123.38 2hgl s PHE 86 Ca 0.11 -0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 2hgl s PHE 86 Cb -0.14 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2hgl s PHE 86 CO 0.05 0.38 1.11 0.21 0.70 0.00 0.00 175.22 177.68 2hgl s LYS 87 N -1.74 4.47 0.35 0.44 2.36 -1.26 -0.40 119.74 123.96 2hgl s LYS 87 Ca 0.19 1.62 0.07 0.00 -2.55 0.00 0.00 55.97 55.29 2hgl s LYS 87 Cb -0.11 -3.41 -0.02 0.00 -1.05 0.00 0.00 37.83 33.23 2hgl s LYS 87 CO 0.10 -0.20 0.24 0.45 1.55 0.00 0.00 175.35 177.49 2hgl n SER 88 N 4.05 -0.13 -4.08 1.43 2.88 -0.08 -4.81 113.62 112.89 2hgl n SER 88 Ca 0.08 -3.17 -0.10 0.00 -1.33 0.00 0.00 58.87 54.36 2hgl n SER 88 Cb 0.48 1.47 -0.09 0.00 -0.75 0.00 0.00 64.21 65.32 2hgl n SER 88 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2hgl s HIS 89 N -3.26 0.71 0.48 0.66 3.76 -1.26 -4.02 115.29 112.34 2hgl s HIS 89 Ca 0.34 -1.06 0.16 0.00 -0.15 0.00 0.00 55.06 54.35 2hgl s HIS 89 Cb 0.02 -0.31 1.16 0.00 1.11 0.00 0.00 32.58 34.56 2hgl s HIS 89 CO 0.24 -0.63 2.03 0.00 -0.85 0.00 0.00 174.74 175.54 2hgl h ARG 90 N 2.69 0.22 -0.53 1.40 3.08 -1.84 -1.12 114.38 118.29 2hgl h ARG 90 Ca -0.34 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.73 2hgl h ARG 90 Cb 1.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 2hgl h ARG 90 CO 0.53 0.15 0.31 1.79 -1.07 0.00 0.00 179.97 181.68 2hgl h THR 91 N 0.23 1.05 -0.08 2.04 1.35 -1.45 0.19 112.91 116.23 2hgl h THR 91 Ca 0.19 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 2hgl h THR 91 Cb 0.45 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2hgl h THR 91 CO -0.03 0.11 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.18 2hgl h GLU 92 N 0.62 0.21 -0.72 4.72 4.81 -1.77 -3.27 114.58 119.17 2hgl h GLU 92 Ca 0.21 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2hgl h GLU 92 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2hgl h GLU 92 CO -0.10 0.64 0.43 1.98 -0.73 0.00 0.00 179.01 181.23 2hgl h MET 93 N -0.22 0.99 0.00 1.92 4.05 -0.73 -1.52 114.93 119.42 2hgl h MET 93 Ca 0.01 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 2hgl h MET 93 Cb 0.61 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2hgl h MET 93 CO 0.02 0.71 -0.31 0.22 0.23 0.00 0.00 176.91 177.78 2hgl h ASP 94 N 0.99 0.00 0.58 1.39 3.58 -0.77 -2.51 116.42 119.67 2hgl h ASP 94 Ca 0.26 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 2hgl h ASP 94 Cb -0.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.04 2hgl h ASP 94 CO -0.05 0.31 -0.28 -0.25 -2.88 0.00 0.00 179.24 176.10 2hgl h TRP 95 N 0.00 -0.72 0.00 0.28 -0.00 -1.50 -3.34 115.95 110.67 2hgl h TRP 95 Ca -0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.89 58.80 2hgl h TRP 95 Cb 0.65 0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 2hgl h TRP 95 CO 0.00 -0.44 -0.35 -0.39 -0.00 0.00 0.00 178.44 177.26 2hgl h VAL 96 N -1.19 0.91 0.00 2.65 -1.51 -0.92 0.09 116.25 116.29 2hgl h VAL 96 Ca -0.08 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 2hgl h VAL 96 Cb 0.61 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2hgl h VAL 96 CO 0.13 0.35 0.00 0.18 -1.23 0.00 0.00 177.57 177.00 2hgl n LEU 97 N -3.62 0.59 -3.11 4.19 4.32 -0.98 -4.30 117.00 114.09 2hgl n LEU 97 Ca -0.01 0.60 -0.29 0.00 -0.02 0.00 0.00 56.01 56.30 2hgl n LEU 97 Cb 0.47 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 2hgl n LEU 97 CO 0.36 -0.33 0.27 1.17 -1.22 0.00 0.00 177.39 177.64 2hgl n LYS 98 N -2.10 3.32 -3.51 3.23 4.81 0.02 -5.01 118.16 118.92 2hgl n LYS 98 Ca 0.04 -4.81 -0.20 0.00 -0.87 0.00 0.00 58.31 52.47 2hgl n LYS 98 Cb 0.31 -2.27 -0.14 0.00 0.02 0.00 0.00 35.03 32.96 2hgl n LYS 98 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2hgl s HIS 99 N -3.34 -0.17 -0.42 5.64 2.46 -1.25 -4.78 115.29 113.41 2hgl s HIS 99 Ca 0.46 0.05 0.07 0.00 0.47 0.00 0.00 55.06 56.12 2hgl s HIS 99 Cb 0.24 -0.45 0.25 0.00 -0.13 0.00 0.00 32.58 32.49 2hgl s HIS 99 CO -0.11 -0.61 0.67 0.43 -2.47 0.00 0.00 174.74 172.65 2hgl n SER 100 N 5.31 -0.90 0.00 9.88 7.64 -1.26 -4.94 113.62 129.35 2hgl n SER 100 Ca -0.06 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2hgl n SER 100 Cb 0.49 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 1.41 -1.74 0.00 0.23 0.00 -1.26 -5.27 105.19 98.55 2hgl n GLY 101 Ca 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27