#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 -4.13 3.17 0.00 -1.26 -5.12 117.12 109.78 2hgl n MET 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 2hgl n MET 2 Cb 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 33.22 33.00 2hgl n MET 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2hgl s LEU 3 N -1.53 2.36 0.00 -0.89 1.43 -1.26 -5.09 118.68 113.69 2hgl s LEU 3 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2hgl s LEU 3 Cb 0.00 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.00 2hgl s LEU 3 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2hgl n GLY 4 N 0.82 -0.68 0.28 -3.19 0.00 -1.26 -4.76 105.19 96.40 2hgl n GLY 4 Ca -0.18 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2hgl n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hgl h PRO 5 N 0.00 0.00 -1.87 1.61 0.11 -2.02 -3.48 132.00 126.35 2hgl h PRO 5 Ca 0.00 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.36 2hgl h PRO 5 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2hgl h PRO 5 CO 0.00 0.00 0.66 -1.83 -0.21 0.00 0.00 178.00 176.62 2hgl s GLU 6 N -4.97 0.77 0.00 1.05 -1.05 -1.26 -4.83 118.70 108.41 2hgl s GLU 6 Ca -0.05 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 2hgl s GLU 6 Cb 0.17 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2hgl s GLU 6 CO 0.65 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.92 2hgl n GLY 7 N -0.47 0.81 1.58 -3.83 0.00 -1.26 -5.03 105.19 96.98 2hgl n GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.32 4.08 -0.02 0.00 -1.26 -4.87 105.19 104.44 2hgl n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.52 0.00 0.00 1.61 0.28 -1.26 -1.41 120.64 121.38 2hgl n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2hgl n GLU 9 Cb 0.24 -0.03 0.00 0.00 1.43 0.00 0.00 31.44 33.07 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hgl n GLY 10 N 0.00 0.42 0.99 -1.84 0.00 -1.26 -4.65 105.19 98.85 2hgl n GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.27 -1.91 1.61 3.72 -0.50 -4.32 117.46 116.33 2hgl n PHE 11 Ca 0.00 -0.49 -0.41 0.00 -0.05 0.00 0.00 57.45 56.51 2hgl n PHE 11 Cb 0.15 -0.27 -0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.54 2.29 -0.08 -4.37 1.01 -1.25 -0.33 120.40 117.12 2hgl s VAL 12 Ca 0.05 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2hgl s VAL 12 Cb 0.05 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2hgl s VAL 12 CO 0.01 0.06 -0.24 0.68 0.00 0.00 0.00 175.10 175.61 2hgl s VAL 13 N -1.16 2.01 0.44 2.92 -7.23 0.37 -1.05 120.40 116.71 2hgl s VAL 13 Ca 0.54 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2hgl s VAL 13 Cb -0.43 -1.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 2hgl s VAL 13 CO 0.58 0.55 1.04 -0.75 -0.31 0.00 0.00 175.10 176.21 2hgl s LYS 14 N 0.17 3.99 -0.09 4.82 2.20 0.56 -0.14 119.74 131.25 2hgl s LYS 14 Ca -0.13 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 2hgl s LYS 14 Cb -0.16 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2hgl s LYS 14 CO 0.07 -0.28 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.20 2hgl s LEU 15 N -3.04 1.22 -0.02 5.43 1.43 0.49 -0.91 118.68 123.28 2hgl s LEU 15 Ca 0.62 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2hgl s LEU 15 Cb -0.19 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.27 2hgl s LEU 15 CO 0.24 -0.09 -0.04 -0.60 0.23 0.00 0.00 176.35 176.09 2hgl s ARG 16 N 1.48 0.46 0.00 1.70 3.00 -0.16 -0.50 118.95 124.94 2hgl s ARG 16 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.63 2hgl s ARG 16 Cb -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 34.95 34.32 2hgl s ARG 16 CO -0.05 0.01 0.00 0.41 0.00 0.00 0.00 175.30 175.67 2hgl n GLY 17 N 3.47 0.60 3.11 8.12 0.00 0.32 -0.33 105.19 120.47 2hgl n GLY 17 Ca -0.19 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.70 -4.70 0.99 4.77 0.08 -3.59 117.00 109.85 2hgl n LEU 18 Ca 0.00 0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.92 2hgl n LEU 18 Cb 0.00 -0.84 0.04 0.00 -2.33 0.00 0.00 43.42 40.30 2hgl n LEU 18 CO 0.00 -5.42 0.83 -2.65 -1.33 0.00 0.00 177.39 168.81 2hgl n PRO 19 N 1.80 1.45 0.00 3.23 -0.02 -1.26 -4.17 135.00 136.03 2hgl n PRO 19 Ca 0.02 0.54 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 2hgl n PRO 19 Cb 0.53 -2.41 0.34 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.15 0.00 -0.75 6.00 5.03 -1.26 -2.85 117.44 122.47 2hgl n TRP 20 Ca 0.11 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.64 2hgl n TRP 20 Cb 0.45 -0.04 0.00 0.00 -1.03 0.00 0.00 31.31 30.68 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 -1.04 0.35 -4.74 -0.99 3.41 -1.26 -4.78 113.62 104.58 2hgl n SER 21 Ca 0.08 -1.10 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 2hgl n SER 21 Cb 0.05 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.14 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 -3.63 -0.11 0.58 0.00 1.04 -1.26 -5.06 113.70 105.26 2hgl s SER 23 Ca 0.63 -0.85 0.30 0.00 0.48 0.00 0.00 55.95 56.52 2hgl s SER 23 Cb -0.17 0.59 1.40 0.00 0.10 0.00 0.00 66.02 67.93 2hgl s SER 23 CO 0.56 -1.13 1.77 1.62 0.98 0.00 0.00 173.24 177.04 2hgl h VAL 24 N 2.25 0.31 0.00 5.02 3.04 -1.98 0.11 116.25 125.00 2hgl h VAL 24 Ca -0.26 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.39 2hgl h VAL 24 Cb 1.25 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 2hgl h VAL 24 CO 0.35 0.00 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.40 2hgl h GLU 25 N 0.00 0.00 0.00 4.17 3.07 -1.97 -0.68 114.58 119.17 2hgl h GLU 25 Ca 0.34 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 2hgl h GLU 25 Cb 1.72 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.60 2hgl h GLU 25 CO -0.00 0.18 -0.74 0.22 -1.40 0.00 0.00 179.01 177.28 2hgl h ASP 26 N 0.00 0.00 -0.05 1.42 3.58 -1.21 -2.26 116.42 117.91 2hgl h ASP 26 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2hgl h ASP 26 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2hgl h ASP 26 CO 0.02 0.66 -0.13 -0.37 -2.88 0.00 0.00 179.24 176.54 2hgl h VAL 27 N 0.00 1.44 0.00 2.25 -1.51 -0.83 0.25 116.25 117.84 2hgl h VAL 27 Ca -0.02 -1.49 -0.03 0.00 -1.23 0.00 0.00 66.70 63.92 2hgl h VAL 27 Cb 1.52 2.29 -0.00 0.00 -2.13 0.00 0.00 31.29 32.97 2hgl h VAL 27 CO 0.08 0.41 -0.15 1.56 -1.23 0.00 0.00 177.57 178.24 2hgl h GLN 28 N -0.34 0.00 0.10 5.19 4.20 -1.39 -0.28 115.11 122.58 2hgl h GLN 28 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2hgl h GLN 28 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2hgl h GLN 28 CO 0.03 0.15 -1.11 -0.97 -0.67 0.00 0.00 178.83 176.26 2hgl h ASN 29 N 0.00 0.32 -0.36 1.46 -1.24 -1.29 -1.25 115.58 113.22 2hgl h ASN 29 Ca -0.00 -0.86 0.09 0.00 0.71 0.00 0.00 56.30 56.25 2hgl h ASN 29 Cb 0.41 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 2hgl h ASN 29 CO 0.02 1.49 0.26 0.15 -1.29 0.00 0.00 177.43 178.05 2hgl h PHE 30 N -0.46 0.06 -1.29 0.67 3.57 -0.88 -2.71 116.94 115.89 2hgl h PHE 30 Ca -0.24 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.74 2hgl h PHE 30 Cb 1.61 -0.02 -0.42 0.00 2.79 0.00 0.00 35.95 39.91 2hgl h PHE 30 CO 0.16 0.03 -0.85 1.28 -2.23 0.00 0.00 178.31 176.70 2hgl n LEU 31 N -4.44 3.97 0.18 0.59 4.77 -0.12 -4.74 117.00 117.20 2hgl n LEU 31 Ca 0.05 -4.79 0.10 0.00 -0.03 0.00 0.00 56.01 51.35 2hgl n LEU 31 Cb 0.40 -0.23 0.55 0.00 -2.33 0.00 0.00 43.42 41.80 2hgl n LEU 31 CO 0.36 2.05 0.85 0.77 -1.33 0.00 0.00 177.39 180.09 2hgl h SER 32 N 2.62 0.00 -0.09 -1.43 4.64 -0.88 -0.23 113.55 118.18 2hgl h SER 32 Ca 0.21 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2hgl h SER 32 Cb 1.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2hgl h SER 32 CO 0.75 0.00 0.11 0.44 -0.87 0.00 0.00 176.83 177.25 2hgl h ASP 33 N 0.00 0.00 -4.47 4.97 5.19 -1.85 -3.48 116.42 116.77 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 0.27 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.63 2hgl h ASP 33 CO 0.00 0.00 -0.69 0.00 -3.12 0.00 0.00 179.24 175.43 2hgl n THR 35 N -0.12 1.57 -1.12 0.00 -1.04 -1.26 -5.03 114.28 107.27 2hgl n THR 35 Ca -0.10 -0.25 0.10 0.00 -2.04 0.00 0.00 64.05 61.76 2hgl n THR 35 Cb 0.61 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 2hgl n THR 35 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2hgl n ILE 36 N -4.15 -0.68 0.72 12.58 -0.00 -1.26 -3.68 119.36 122.88 2hgl n ILE 36 Ca -0.38 0.63 0.00 0.00 -0.00 0.00 0.00 62.75 62.99 2hgl n ILE 36 Cb 0.81 -0.95 0.00 0.00 -0.00 0.00 0.00 39.64 39.50 2hgl n ILE 36 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2hgl n HIS 37 N -3.78 0.00 0.00 1.39 -0.00 -1.01 -3.79 115.22 108.03 2hgl n HIS 37 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2hgl n HIS 37 Cb 0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 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 -0.23 0.00 0.00 0.26 2.03 -1.26 -4.65 116.55 112.70 2hgl n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2hgl n ASP 38 Cb 0.04 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.22 3.77 0.00 0.27 0.00 -1.24 -4.51 105.19 102.26 2hgl n GLY 39 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.44 0.90 4.61 0.00 -1.26 -4.82 120.51 120.38 2hgl n ALA 40 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2hgl n ALA 40 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.31 2.63 -0.23 0.00 0.00 -1.26 -2.46 120.51 118.89 2hgl n ALA 41 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2hgl n ALA 41 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.41 0.90 3.86 0.00 0.00 -1.26 -4.32 105.19 104.78 2hgl n GLY 42 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.10 5.12 -0.01 1.61 0.11 -1.03 -0.11 120.40 125.98 2hgl s VAL 43 Ca 0.00 0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 59.47 2hgl s VAL 43 Cb 0.00 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2hgl s VAL 43 CO 0.00 0.36 0.14 -1.00 -3.33 0.00 0.00 175.10 171.27 2hgl s HIS 44 N -1.32 0.00 0.23 1.54 0.09 0.04 -4.99 115.29 110.88 2hgl s HIS 44 Ca 0.30 -0.03 0.07 0.00 -0.00 0.00 0.00 55.06 55.41 2hgl s HIS 44 Cb -0.14 -0.03 -0.04 0.00 -0.00 0.00 0.00 32.58 32.37 2hgl s HIS 44 CO 0.17 -0.24 0.10 -0.06 -0.00 0.00 0.00 174.74 174.70 2hgl s PHE 45 N -1.08 2.96 0.15 1.40 0.40 -1.26 -1.07 117.98 119.48 2hgl s PHE 45 Ca -0.12 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2hgl s PHE 45 Cb -0.06 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2hgl s PHE 45 CO 0.01 0.55 0.12 0.42 0.70 0.00 0.00 175.22 177.02 2hgl s ILE 46 N -2.06 4.44 -0.01 0.64 -1.09 -0.38 -4.88 121.20 117.85 2hgl s ILE 46 Ca 0.31 -1.06 -0.00 0.00 -2.23 0.00 0.00 60.65 57.67 2hgl s ILE 46 Cb -0.08 -3.25 0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2hgl s ILE 46 CO 0.22 -0.08 0.03 -0.31 -1.23 0.00 0.00 174.94 173.57 2hgl s TYR 47 N -1.70 0.01 -0.97 3.97 2.02 -1.26 -0.99 117.35 118.43 2hgl s TYR 47 Ca 0.30 0.10 0.12 0.00 -0.37 0.00 0.00 57.07 57.22 2hgl s TYR 47 Cb -0.10 -0.14 0.52 0.00 -0.40 0.00 0.00 41.96 41.83 2hgl s TYR 47 CO 0.23 -0.06 1.38 0.25 -1.57 0.00 0.00 175.55 175.78 2hgl n THR 48 N 3.75 1.20 0.00 -0.71 -2.24 0.11 -4.80 114.28 111.58 2hgl n THR 48 Ca -0.22 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2hgl n THR 48 Cb 0.54 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.54 0.00 0.00 -0.78 1.74 -1.26 -4.92 116.66 109.90 2hgl n ARG 49 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2hgl n ARG 49 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hgl n GLU 50 N -0.17 2.54 0.00 5.56 -0.00 -1.26 -4.60 120.64 122.71 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 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 31.44 30.78 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 1.06 0.00 3.53 -1.84 0.00 -1.26 -5.18 105.19 101.49 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 0.50 0.00 0.00 0.00 173.32 173.82 2hgl s ARG 52 N 0.00 0.89 0.93 1.61 0.52 -1.26 -5.05 118.95 116.59 2hgl s ARG 52 Ca 0.00 0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 55.16 2hgl s ARG 52 Cb 0.00 0.42 0.15 0.00 0.52 0.00 0.00 34.95 36.04 2hgl s ARG 52 CO 0.00 -0.30 1.18 1.14 0.02 0.00 0.00 175.30 177.34 2hgl s GLN 53 N -1.62 0.99 0.24 3.54 0.00 -1.26 -0.71 119.66 120.84 2hgl s GLN 53 Ca -0.05 0.08 0.01 0.00 -0.00 0.00 0.00 55.36 55.40 2hgl s GLN 53 Cb -0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 33.01 31.12 2hgl s GLN 53 CO 0.03 -2.26 0.08 0.45 0.00 0.00 0.00 175.29 173.58 2hgl s SER 54 N -4.30 1.21 0.00 12.60 0.15 -0.16 -4.48 113.70 118.71 2hgl s SER 54 Ca 0.66 -1.34 -0.00 0.00 0.70 0.00 0.00 55.95 55.97 2hgl s SER 54 Cb -0.11 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 2hgl s SER 54 CO 0.53 -0.70 1.62 0.61 1.20 0.00 0.00 173.24 176.50 2hgl n GLY 55 N -0.42 2.06 3.07 9.45 0.00 -1.26 -4.72 105.19 113.37 2hgl n GLY 55 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.53 0.46 0.22 1.61 2.02 -1.26 -0.52 118.70 121.76 2hgl s GLU 56 Ca 0.03 -0.59 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 2hgl s GLU 56 Cb 0.02 0.18 0.06 0.00 0.10 0.00 0.00 34.13 34.49 2hgl s GLU 56 CO 0.00 -0.10 0.93 0.00 0.02 0.00 0.00 175.26 176.11 2hgl s ALA 57 N -1.81 -1.42 -0.15 5.21 0.00 0.35 -1.25 121.76 122.67 2hgl s ALA 57 Ca -0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 2hgl s ALA 57 Cb -0.06 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2hgl s ALA 57 CO -0.01 -1.04 0.40 -0.06 0.00 0.00 0.00 175.76 175.05 2hgl s PHE 58 N -2.83 -0.46 -0.21 0.00 0.40 -0.23 -0.38 117.98 114.28 2hgl s PHE 58 Ca 0.16 1.10 -0.04 0.00 -0.60 0.00 0.00 56.93 57.55 2hgl s PHE 58 Cb -0.03 0.16 0.08 0.00 0.51 0.00 0.00 43.02 43.74 2hgl s PHE 58 CO 0.05 -0.23 0.13 0.08 0.70 0.00 0.00 175.22 175.96 2hgl s VAL 59 N 0.35 -0.14 -0.61 -0.44 1.01 0.80 -0.78 120.40 120.59 2hgl s VAL 59 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 2hgl s VAL 59 Cb -0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.56 2hgl s VAL 59 CO -0.01 -0.37 2.41 -1.61 0.00 0.00 0.00 175.10 175.53 2hgl s GLU 60 N 2.17 1.88 1.07 2.72 2.02 0.84 -0.48 118.70 128.93 2hgl s GLU 60 Ca 0.05 1.04 -0.13 0.00 0.02 0.00 0.00 54.97 55.94 2hgl s GLU 60 Cb -0.16 -4.67 0.23 0.00 0.10 0.00 0.00 34.13 29.63 2hgl s GLU 60 CO -0.16 -3.78 1.07 -0.51 0.02 0.00 0.00 175.26 171.90 2hgl s LEU 61 N 13.33 1.24 0.00 1.80 1.43 0.55 -2.41 118.68 134.62 2hgl s LEU 61 Ca 0.96 1.23 0.25 0.00 -1.03 0.00 0.00 54.13 55.54 2hgl s LEU 61 Cb -0.15 -3.29 0.55 0.00 0.03 0.00 0.00 46.19 43.34 2hgl s LEU 61 CO 0.19 -3.56 1.45 0.61 0.23 0.00 0.00 176.35 175.27 2hgl n GLY 62 N -0.51 -0.02 3.76 -3.19 0.00 -1.25 -3.46 105.19 100.52 2hgl n GLY 62 Ca 0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.28 -0.22 0.27 1.61 1.04 -1.26 -4.78 113.70 108.07 2hgl s SER 63 Ca 0.27 -0.43 0.25 0.00 0.48 0.00 0.00 55.95 56.52 2hgl s SER 63 Cb 0.20 0.55 0.96 0.00 0.10 0.00 0.00 66.02 67.83 2hgl s SER 63 CO 0.45 -1.01 1.74 -0.08 0.98 0.00 0.00 173.24 175.31 2hgl h GLU 64 N 2.00 0.00 0.00 4.02 4.81 -1.93 -1.84 114.58 121.65 2hgl h GLU 64 Ca -0.23 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 2hgl h GLU 64 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2hgl h GLU 64 CO 0.25 0.00 -0.70 -0.44 -0.73 0.00 0.00 179.01 177.39 2hgl h ASP 65 N 0.00 0.00 -0.73 1.04 5.19 -1.98 -1.94 116.42 118.01 2hgl h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hgl h ASP 65 Cb 0.45 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 2hgl h ASP 65 CO 0.00 0.70 0.45 0.44 -3.12 0.00 0.00 179.24 177.71 2hgl h ASP 66 N 0.00 0.86 -0.12 6.45 3.32 -1.80 -0.37 116.42 124.76 2hgl h ASP 66 Ca -0.01 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.03 2hgl h ASP 66 Cb 1.46 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2hgl h ASP 66 CO 0.09 0.65 -0.07 -0.37 -1.72 0.00 0.00 179.24 177.82 2hgl h VAL 67 N 0.99 0.78 -0.81 -1.35 -1.51 -1.12 -1.22 116.25 111.99 2hgl h VAL 67 Ca 0.26 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.83 2hgl h VAL 67 Cb -0.06 0.78 -0.07 0.00 -2.13 0.00 0.00 31.29 29.80 2hgl h VAL 67 CO -0.05 0.00 0.45 0.11 -1.23 0.00 0.00 177.57 176.85 2hgl h LYS 68 N -0.07 0.73 -0.77 5.19 1.57 -1.32 0.65 116.57 122.54 2hgl h LYS 68 Ca 0.07 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2hgl h LYS 68 Cb 0.18 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2hgl h LYS 68 CO -0.17 0.48 0.51 0.52 -0.57 0.00 0.00 179.45 180.23 2hgl h MET 69 N 0.75 0.95 -0.13 3.15 2.86 -0.41 -1.82 114.93 120.28 2hgl h MET 69 Ca 0.40 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.80 2hgl h MET 69 Cb 0.39 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2hgl h MET 69 CO -0.26 0.63 -0.65 0.00 1.06 0.00 0.00 176.91 177.68 2hgl h ALA 70 N 1.54 0.62 0.00 6.32 0.00 -0.16 -3.16 119.26 124.43 2hgl h ALA 70 Ca 0.30 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2hgl h ALA 70 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2hgl h ALA 70 CO -0.08 0.72 -0.11 -0.07 0.00 0.00 0.00 179.25 179.71 2hgl h LEU 71 N 0.36 0.00 -1.98 0.00 3.38 -0.33 -2.30 115.31 114.44 2hgl h LEU 71 Ca -0.02 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.11 2hgl h LEU 71 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2hgl h LEU 71 CO 0.12 0.11 0.49 0.11 0.09 0.00 0.00 178.44 179.36 2hgl h LYS 72 N 0.00 0.00 -0.53 1.13 1.57 -1.31 -1.99 116.57 115.44 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2hgl h LYS 72 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 2hgl n LYS 73 N -3.95 3.14 0.00 3.15 4.76 -0.86 -4.89 118.16 119.51 2hgl n LYS 73 Ca 0.10 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.97 2hgl n LYS 73 Cb 0.71 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.87 0.01 -0.86 4.39 5.75 -0.75 -1.10 116.55 124.86 2hgl n ASP 74 Ca 0.21 -0.45 -0.02 0.00 -0.01 0.00 0.00 54.79 54.52 2hgl n ASP 74 Cb 0.68 -0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.74 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 -0.47 0.00 0.00 0.11 1.74 -1.23 -2.93 116.66 113.88 2hgl n ARG 75 Ca 0.00 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 2hgl n ARG 75 Cb 0.00 0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 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 0.08 -0.55 -4.06 5.56 -0.58 -0.26 -4.72 120.64 116.10 2hgl n GLU 76 Ca -0.11 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.51 2hgl n GLU 76 Cb 0.71 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.46 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 -1.72 0.76 -0.25 1.62 1.04 -1.26 -0.53 113.70 113.35 2hgl s SER 77 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2hgl s SER 77 Cb 0.00 0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.30 2hgl s SER 77 CO 0.00 -0.27 0.27 -0.32 0.98 0.00 0.00 173.24 173.90 2hgl s MET 78 N -1.90 0.27 0.27 4.02 1.75 -0.79 -4.88 119.30 118.04 2hgl s MET 78 Ca -0.08 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 2hgl s MET 78 Cb -0.08 -0.86 0.00 0.00 2.84 0.00 0.00 34.83 36.73 2hgl s MET 78 CO -0.01 -0.85 0.00 0.41 -0.65 0.00 0.00 175.02 173.92 2hgl n GLY 79 N 5.32 -2.23 1.18 2.11 0.00 -1.26 -4.44 105.19 105.86 2hgl n GLY 79 Ca -0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.08 0.00 -3.80 1.61 -0.00 -1.26 -4.80 115.22 106.89 2hgl n HIS 80 Ca 0.00 -0.43 -0.13 0.00 0.46 0.00 0.00 57.72 57.63 2hgl n HIS 80 Cb 0.00 -0.26 -0.10 0.00 -0.12 0.00 0.00 29.99 29.51 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 0.41 0.47 0.30 1.57 1.81 -1.26 -5.06 118.95 117.19 2hgl s ARG 81 Ca 0.00 -0.01 -0.07 0.00 -1.72 0.00 0.00 55.73 53.93 2hgl s ARG 81 Cb 0.00 0.21 -0.06 0.00 -0.45 0.00 0.00 34.95 34.65 2hgl s ARG 81 CO 0.00 -0.10 0.61 0.71 -0.68 0.00 0.00 175.30 175.83 2hgl s TYR 82 N -0.72 3.46 -0.51 -0.53 2.02 -1.24 -1.88 117.35 117.95 2hgl s TYR 82 Ca -0.08 0.80 0.06 0.00 -0.37 0.00 0.00 57.07 57.47 2hgl s TYR 82 Cb -0.04 -2.23 0.20 0.00 -0.40 0.00 0.00 41.96 39.49 2hgl s TYR 82 CO 0.02 0.13 0.49 -0.89 -1.57 0.00 0.00 175.55 173.73 2hgl n ILE 83 N -0.84 0.18 -2.15 2.71 2.08 0.31 -0.74 119.36 120.92 2hgl n ILE 83 Ca -0.00 -4.21 -0.41 0.00 0.56 0.00 0.00 62.75 58.68 2hgl n ILE 83 Cb 0.54 -1.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.47 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 -1.04 4.34 -0.26 0.38 2.12 0.54 -3.57 118.70 121.21 2hgl s GLU 84 Ca 0.33 2.13 0.03 0.00 0.36 0.00 0.00 54.97 57.82 2hgl s GLU 84 Cb 0.07 -3.18 0.06 0.00 0.26 0.00 0.00 34.13 31.34 2hgl s GLU 84 CO -0.14 -0.34 -0.11 0.08 -0.54 0.00 0.00 175.26 174.21 2hgl s VAL 85 N 0.31 2.21 0.07 3.70 1.01 -1.15 -0.99 120.40 125.55 2hgl s VAL 85 Ca 0.59 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2hgl s VAL 85 Cb -0.38 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2hgl s VAL 85 CO 0.38 -0.02 0.33 -0.36 0.00 0.00 0.00 175.10 175.43 2hgl s PHE 86 N 1.11 3.55 -0.01 5.22 0.40 -0.09 -4.75 117.98 123.41 2hgl s PHE 86 Ca -0.08 0.61 -0.26 0.00 -0.60 0.00 0.00 56.93 56.60 2hgl s PHE 86 Cb -0.20 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2hgl s PHE 86 CO -0.05 0.54 0.80 0.21 0.70 0.00 0.00 175.22 177.41 2hgl s LYS 87 N -2.09 4.50 0.33 0.44 2.36 -1.26 -0.32 119.74 123.69 2hgl s LYS 87 Ca 0.33 1.09 0.05 0.00 -2.55 0.00 0.00 55.97 54.89 2hgl s LYS 87 Cb -0.13 -3.42 -0.03 0.00 -1.05 0.00 0.00 37.83 33.20 2hgl s LYS 87 CO 0.20 0.11 0.22 0.45 1.55 0.00 0.00 175.35 177.87 2hgl s SER 88 N 0.56 1.70 0.07 1.43 0.15 -0.21 -4.82 113.70 112.57 2hgl s SER 88 Ca 0.42 -1.68 0.01 0.00 0.70 0.00 0.00 55.95 55.40 2hgl s SER 88 Cb -0.20 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2hgl s SER 88 CO 0.22 -0.99 -0.05 -1.00 1.20 0.00 0.00 173.24 172.62 2hgl s HIS 89 N -3.50 0.72 0.40 3.44 3.76 -1.26 -3.83 115.29 115.02 2hgl s HIS 89 Ca 0.37 -0.90 0.14 0.00 -0.15 0.00 0.00 55.06 54.51 2hgl s HIS 89 Cb 0.03 -0.45 0.98 0.00 1.11 0.00 0.00 32.58 34.26 2hgl s HIS 89 CO 0.22 -0.22 1.89 -0.09 -0.85 0.00 0.00 174.74 175.69 2hgl h ARG 90 N 3.25 0.49 -0.65 1.40 9.65 -1.82 -1.45 114.38 125.24 2hgl h ARG 90 Ca -0.35 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.52 2hgl h ARG 90 Cb 1.16 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 2hgl h ARG 90 CO 0.62 0.32 0.43 1.15 2.80 0.00 0.00 179.97 185.29 2hgl h THR 91 N 0.50 1.14 0.01 0.20 2.02 -1.96 0.57 112.91 115.39 2hgl h THR 91 Ca 0.42 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 2hgl h THR 91 Cb 0.88 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2hgl h THR 91 CO -0.16 0.15 -0.01 -0.08 0.37 0.00 0.00 175.52 175.80 2hgl h GLU 92 N 0.84 -0.02 -0.91 6.66 4.81 -1.81 -3.36 114.58 120.80 2hgl h GLU 92 Ca 0.25 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 2hgl h GLU 92 Cb -0.04 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 2hgl h GLU 92 CO -0.06 0.78 0.58 1.98 -0.73 0.00 0.00 179.01 181.56 2hgl h MET 93 N -0.87 0.84 -0.12 1.92 4.05 -0.76 -1.13 114.93 118.86 2hgl h MET 93 Ca -0.00 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2hgl h MET 93 Cb 0.80 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2hgl h MET 93 CO 0.00 0.56 -0.25 0.22 0.23 0.00 0.00 176.91 177.67 2hgl h ASP 94 N 0.87 0.21 0.67 1.39 1.82 -1.08 -2.44 116.42 117.86 2hgl h ASP 94 Ca 0.43 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.98 2hgl h ASP 94 Cb 0.47 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.43 2hgl h ASP 94 CO -0.19 0.47 -0.32 -0.25 -1.61 0.00 0.00 179.24 177.34 2hgl h TRP 95 N 0.20 -0.83 -0.17 0.28 -0.00 -1.39 -3.29 115.95 110.74 2hgl h TRP 95 Ca 0.03 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 2hgl h TRP 95 Cb 0.55 0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.98 2hgl h TRP 95 CO 0.01 -0.52 -0.32 -0.39 -0.00 0.00 0.00 178.44 177.22 2hgl h VAL 96 N -1.17 1.28 -0.11 2.65 -1.51 -0.94 -2.54 116.25 113.90 2hgl h VAL 96 Ca -0.09 -1.34 -0.19 0.00 -1.23 0.00 0.00 66.70 63.84 2hgl h VAL 96 Cb 0.69 1.50 0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2hgl h VAL 96 CO 0.15 0.41 -0.69 -0.07 -1.23 0.00 0.00 177.57 176.15 2hgl h LEU 97 N 0.30 0.80 -5.88 4.19 4.07 -1.66 -3.41 115.31 113.72 2hgl h LEU 97 Ca 0.04 -0.65 -0.77 0.00 0.08 0.00 0.00 57.88 56.57 2hgl h LEU 97 Cb 0.71 -0.24 -0.23 0.00 1.08 0.00 0.00 40.66 41.98 2hgl h LEU 97 CO 0.05 1.33 1.33 1.17 -1.08 0.00 0.00 178.44 181.24 2hgl n LYS 98 N -4.06 4.80 0.00 1.13 4.81 -0.96 -3.69 118.16 120.20 2hgl n LYS 98 Ca -0.08 -4.15 0.00 0.00 -0.87 0.00 0.00 58.31 53.21 2hgl n LYS 98 Cb 0.70 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 0.33 0.00 1.01 5.64 -0.00 -1.26 -4.69 115.22 116.25 2hgl n HIS 99 Ca 0.51 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.78 2hgl n HIS 99 Cb 0.27 0.02 0.49 0.00 -0.12 0.00 0.00 29.99 30.64 2hgl n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2hgl n SER 100 N 0.00 0.00 -1.22 0.26 3.41 -1.24 -4.93 113.62 109.89 2hgl n SER 100 Ca 0.00 -0.39 -0.00 0.00 -0.26 0.00 0.00 58.87 58.21 2hgl n SER 100 Cb 0.14 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgl n GLY 101 N 0.10 1.24 0.00 5.00 0.00 -1.26 -4.85 105.19 105.42 2hgl n GLY 101 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27