#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 1.07 -0.11 0.03 0.00 -1.26 -4.69 117.12 112.15 2hgl n MET 2 Ca 0.00 -0.10 0.17 0.00 0.00 0.00 0.00 57.70 57.77 2hgl n MET 2 Cb 0.00 -1.20 0.56 0.00 0.00 0.00 0.00 33.22 32.59 2hgl n MET 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2hgl h LEU 3 N 0.72 0.27 -8.74 -0.89 5.85 -1.97 -3.44 115.31 107.11 2hgl h LEU 3 Ca 0.01 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.40 2hgl h LEU 3 Cb 0.89 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 2hgl h LEU 3 CO 0.03 0.14 -0.56 -0.83 -0.34 0.00 0.00 178.44 176.88 2hgl s GLY 4 N -3.86 1.86 0.98 3.75 0.00 -1.26 -4.79 107.32 104.00 2hgl s GLY 4 Ca -0.07 -1.87 -0.14 0.00 0.00 0.00 0.00 44.72 42.64 2hgl s GLY 4 CO 0.76 -1.44 1.15 2.56 0.00 0.00 0.00 173.10 176.13 2hgl s PRO 5 N -3.83 0.56 0.55 2.90 0.04 -1.26 -5.13 135.00 128.83 2hgl s PRO 5 Ca 0.40 0.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 2hgl s PRO 5 Cb 0.05 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 2hgl s PRO 5 CO 0.19 -2.56 1.07 -2.00 0.04 0.00 0.00 177.00 173.74 2hgl s GLU 6 N -5.34 3.45 0.00 4.56 2.56 -1.26 -5.08 118.70 117.59 2hgl s GLU 6 Ca 0.67 1.39 0.00 0.00 0.00 0.00 0.00 54.97 57.02 2hgl s GLU 6 Cb -0.13 -2.04 0.00 0.00 2.00 0.00 0.00 34.13 33.96 2hgl s GLU 6 CO 0.54 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.93 2hgl n GLY 7 N -0.37 2.99 0.18 -1.50 0.00 -1.26 -5.11 105.19 100.12 2hgl n GLY 7 Ca 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.79 2.28 -0.02 0.00 -1.26 -5.00 105.19 101.97 2hgl n GLY 8 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2hgl n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgl n GLU 9 N 0.00 1.95 0.00 1.61 4.71 -1.26 -4.82 120.64 122.83 2hgl n GLU 9 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 2hgl n GLU 9 Cb 0.40 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgl n GLY 10 N 3.05 -1.71 2.17 0.62 0.00 -1.26 -1.08 105.19 106.97 2hgl n GLY 10 Ca 0.42 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 2.61 -2.21 1.61 3.72 -1.26 -4.93 117.46 116.99 2hgl n PHE 11 Ca 0.00 -2.30 -0.41 0.00 -0.05 0.00 0.00 57.45 54.69 2hgl n PHE 11 Cb 0.00 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -4.57 3.11 0.25 -4.37 1.01 -1.25 -0.44 120.40 114.14 2hgl s VAL 12 Ca 0.48 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.52 2hgl s VAL 12 Cb 0.40 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2hgl s VAL 12 CO 0.01 0.17 -0.10 0.68 0.00 0.00 0.00 175.10 175.86 2hgl s VAL 13 N -0.25 3.03 -0.20 2.92 -7.23 0.26 -0.77 120.40 118.16 2hgl s VAL 13 Ca 0.54 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2hgl s VAL 13 Cb -0.37 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.03 2hgl s VAL 13 CO 0.42 -0.31 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.02 2hgl s LYS 14 N -3.39 2.23 -0.23 4.82 2.20 0.03 -0.30 119.74 125.11 2hgl s LYS 14 Ca 0.29 -0.86 -0.16 0.00 -0.36 0.00 0.00 55.97 54.88 2hgl s LYS 14 Cb -0.07 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 2hgl s LYS 14 CO 0.17 -0.39 0.39 -0.51 -0.36 0.00 0.00 175.35 174.65 2hgl s LEU 15 N 1.36 4.12 -0.06 5.43 2.01 0.89 -0.88 118.68 131.55 2hgl s LEU 15 Ca -0.00 0.44 -0.01 0.00 0.01 0.00 0.00 54.13 54.57 2hgl s LEU 15 Cb -0.16 -2.49 0.03 0.00 0.01 0.00 0.00 46.19 43.59 2hgl s LEU 15 CO -0.09 -0.11 0.01 -0.60 1.01 0.00 0.00 176.35 176.56 2hgl s ARG 16 N 1.57 0.50 0.00 1.70 3.00 -0.10 -0.72 118.95 124.90 2hgl s ARG 16 Ca 0.18 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 55.03 2hgl s ARG 16 Cb -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 34.95 33.94 2hgl s ARG 16 CO 0.08 -0.28 0.00 0.41 0.00 0.00 0.00 175.30 175.52 2hgl n GLY 17 N 5.00 1.30 3.07 8.12 0.00 0.21 -0.21 105.19 122.69 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 -5.10 -4.69 0.99 -0.00 0.17 -3.61 117.00 104.76 2hgl n LEU 18 Ca 0.00 0.22 -0.39 0.00 -0.00 0.00 0.00 56.01 55.84 2hgl n LEU 18 Cb 0.00 -0.83 0.04 0.00 -0.00 0.00 0.00 43.42 42.63 2hgl n LEU 18 CO 0.00 -5.65 0.81 -2.65 -0.00 0.00 0.00 177.39 169.90 2hgl n PRO 19 N 1.84 1.41 0.00 1.47 -0.02 -1.26 -4.18 135.00 134.25 2hgl n PRO 19 Ca -0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2hgl n PRO 19 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2hgl n PRO 19 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2hgl n TRP 20 N -1.19 0.00 -2.22 6.00 2.14 -1.26 -2.89 117.44 118.02 2hgl n TRP 20 Ca 0.11 -0.23 -0.02 0.00 2.07 0.00 0.00 57.50 59.43 2hgl n TRP 20 Cb 0.45 -0.16 -0.03 0.00 -0.81 0.00 0.00 31.31 30.76 2hgl n TRP 20 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 2hgl n SER 21 N 0.55 -0.17 -4.89 -0.67 7.64 -1.26 -4.50 113.62 110.32 2hgl n SER 21 Ca 0.00 -2.00 -0.30 0.00 1.01 0.00 0.00 58.87 57.58 2hgl n SER 21 Cb 0.27 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 -3.15 -0.07 0.42 0.00 1.04 -1.26 -5.06 113.70 105.62 2hgl s SER 23 Ca 0.48 -0.76 0.24 0.00 0.48 0.00 0.00 55.95 56.39 2hgl s SER 23 Cb -0.10 0.50 1.33 0.00 0.10 0.00 0.00 66.02 67.85 2hgl s SER 23 CO 0.30 -0.98 1.72 1.62 0.98 0.00 0.00 173.24 176.89 2hgl h VAL 24 N 2.39 0.00 -0.08 5.02 3.04 -1.98 0.21 116.25 124.85 2hgl h VAL 24 Ca -0.30 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.27 2hgl h VAL 24 Cb 1.24 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 2hgl h VAL 24 CO 0.43 0.00 -0.48 -0.33 -1.01 0.00 0.00 177.57 176.18 2hgl h GLU 25 N 0.00 0.19 0.00 4.17 3.07 -1.97 -2.92 114.58 117.12 2hgl h GLU 25 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2hgl h GLU 25 Cb 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2hgl h GLU 25 CO 0.00 0.64 -0.35 -3.47 -1.40 0.00 0.00 179.01 174.43 2hgl n ASP 26 N -3.97 0.64 -0.02 1.42 2.03 0.65 -1.01 116.55 116.30 2hgl n ASP 26 Ca -0.02 0.26 -0.17 0.00 0.52 0.00 0.00 54.79 55.39 2hgl n ASP 26 Cb 0.52 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.64 2hgl n ASP 26 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2hgl h VAL 27 N 0.00 1.36 0.00 5.18 -1.51 -1.21 -0.47 116.25 119.61 2hgl h VAL 27 Ca 0.00 -1.93 -0.13 0.00 -1.23 0.00 0.00 66.70 63.41 2hgl h VAL 27 Cb 0.69 2.27 -0.02 0.00 -2.13 0.00 0.00 31.29 32.10 2hgl h VAL 27 CO 0.00 0.58 -0.63 1.56 -1.23 0.00 0.00 177.57 177.85 2hgl h GLN 28 N 0.15 0.00 0.01 5.19 4.20 -1.56 -1.00 115.11 122.09 2hgl h GLN 28 Ca -0.05 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.39 2hgl h GLN 28 Cb 1.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 2hgl h GLN 28 CO 0.12 0.63 -1.51 -0.97 -0.67 0.00 0.00 178.83 176.43 2hgl h ASN 29 N 0.00 0.03 -0.76 1.46 -0.00 -1.14 -1.50 115.58 113.66 2hgl h ASN 29 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2hgl h ASN 29 Cb 1.27 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.55 2hgl h ASN 29 CO 0.08 1.04 0.49 0.15 -0.00 0.00 0.00 177.43 179.19 2hgl h PHE 30 N 0.00 0.97 -1.71 0.67 3.57 -1.07 -3.29 116.94 116.09 2hgl h PHE 30 Ca -0.21 0.02 -0.60 0.00 3.53 0.00 0.00 57.97 60.71 2hgl h PHE 30 Cb 1.95 -0.33 -0.42 0.00 2.79 0.00 0.00 35.95 39.95 2hgl h PHE 30 CO 0.00 0.62 -0.65 1.28 -2.23 0.00 0.00 178.31 177.34 2hgl n LEU 31 N -4.41 4.75 0.26 0.59 4.77 -0.38 -4.71 117.00 117.87 2hgl n LEU 31 Ca 0.08 -5.32 0.14 0.00 -0.03 0.00 0.00 56.01 50.89 2hgl n LEU 31 Cb 0.04 -0.50 0.77 0.00 -2.33 0.00 0.00 43.42 41.40 2hgl n LEU 31 CO 0.37 2.25 1.00 0.77 -1.33 0.00 0.00 177.39 180.45 2hgl h SER 32 N 2.69 0.00 0.12 -1.43 4.64 -1.34 -1.23 113.55 117.00 2hgl h SER 32 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2hgl h SER 32 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2hgl h SER 32 CO 0.86 0.00 -0.05 0.44 -0.87 0.00 0.00 176.83 177.21 2hgl h ASP 33 N 0.00 0.00 -4.69 4.97 5.19 -1.86 -3.49 116.42 116.53 2hgl h ASP 33 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 2hgl h ASP 33 Cb 0.33 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.66 2hgl h ASP 33 CO 0.00 0.05 -0.71 0.00 -3.12 0.00 0.00 179.24 175.46 2hgl s THR 35 N -2.67 5.31 0.40 0.00 2.01 -1.26 -5.03 115.64 114.40 2hgl s THR 35 Ca 0.02 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2hgl s THR 35 Cb -0.01 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2hgl s THR 35 CO -0.03 0.32 0.63 -0.63 -0.69 0.00 0.00 174.62 174.22 2hgl s ILE 36 N 1.16 4.75 -2.00 1.82 -1.09 -1.26 -0.94 121.20 123.65 2hgl s ILE 36 Ca 0.10 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2hgl s ILE 36 Cb -0.14 -3.76 0.11 0.00 -1.58 0.00 0.00 42.46 37.09 2hgl s ILE 36 CO 0.06 -0.55 0.60 1.57 -1.23 0.00 0.00 174.94 175.38 2hgl n HIS 37 N -1.96 0.00 0.00 3.97 -0.00 -1.19 -4.01 115.22 112.03 2hgl n HIS 37 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2hgl n HIS 37 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 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 -0.68 0.00 0.00 0.26 2.03 -1.26 -4.93 116.55 111.97 2hgl n ASP 38 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2hgl n ASP 38 Cb 0.01 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 4.32 0.00 0.27 0.00 -1.26 -4.86 105.19 102.43 2hgl n GLY 39 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.79 -0.92 4.61 0.00 -1.26 -4.78 120.51 118.96 2hgl n ALA 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2hgl n ALA 40 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.55 5.58 -1.85 0.00 0.00 -1.26 -3.05 120.51 119.38 2hgl n ALA 41 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2hgl n ALA 41 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 1.76 0.89 3.26 0.00 0.00 -1.26 -4.57 105.19 105.27 2hgl n GLY 42 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.73 0.04 1.61 0.11 -1.17 0.45 120.40 123.16 2hgl s VAL 43 Ca 0.00 -1.24 -0.08 0.00 -2.93 0.00 0.00 61.98 57.72 2hgl s VAL 43 Cb 0.00 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.35 2hgl s VAL 43 CO 0.00 0.21 0.17 -1.00 -3.33 0.00 0.00 175.10 171.14 2hgl s HIS 44 N -0.82 0.10 0.04 1.54 0.09 0.15 -5.00 115.29 111.38 2hgl s HIS 44 Ca 0.08 -0.34 0.05 0.00 -0.00 0.00 0.00 55.06 54.85 2hgl s HIS 44 Cb -0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 32.58 32.41 2hgl s HIS 44 CO 0.02 -0.41 -0.15 -0.06 -0.00 0.00 0.00 174.74 174.14 2hgl s PHE 45 N -2.60 1.28 0.02 1.40 0.08 -1.26 -1.22 117.98 115.68 2hgl s PHE 45 Ca -0.05 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2hgl s PHE 45 Cb -0.01 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2hgl s PHE 45 CO -0.04 0.04 -0.00 0.42 -0.10 0.00 0.00 175.22 175.54 2hgl s ILE 46 N -0.86 4.11 -0.29 0.64 1.01 -0.39 -4.95 121.20 120.46 2hgl s ILE 46 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 2hgl s ILE 46 Cb -0.08 -2.86 0.14 0.00 0.01 0.00 0.00 42.46 39.67 2hgl s ILE 46 CO 0.01 0.32 0.31 -0.31 0.00 0.00 0.00 174.94 175.27 2hgl s TYR 47 N -1.13 -0.54 -0.70 3.97 2.02 -1.26 -1.71 117.35 118.00 2hgl s TYR 47 Ca 0.21 -0.09 -0.26 0.00 -0.37 0.00 0.00 57.07 56.56 2hgl s TYR 47 Cb -0.12 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.97 2hgl s TYR 47 CO 0.12 -0.92 2.11 -0.08 -1.57 0.00 0.00 175.55 175.21 2hgl s THR 48 N 2.39 3.23 -0.47 -0.71 -1.32 -0.44 -3.34 115.64 114.98 2hgl s THR 48 Ca 0.09 -0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 2hgl s THR 48 Cb -0.14 -3.57 0.02 0.00 -1.51 0.00 0.00 72.50 67.30 2hgl s THR 48 CO -0.32 -0.55 0.24 0.54 -2.21 0.00 0.00 174.62 172.32 2hgl n ARG 49 N 8.99 -0.75 -0.43 7.08 5.12 -1.26 -2.44 116.66 132.96 2hgl n ARG 49 Ca 0.34 -0.28 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2hgl n ARG 49 Cb 0.50 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 2hgl n ARG 49 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2hgl n GLU 50 N -2.50 0.00 0.08 5.56 4.71 -1.21 -4.81 120.64 122.47 2hgl n GLU 50 Ca -0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.02 2hgl n GLU 50 Cb 0.22 -3.59 -0.05 0.00 -1.01 0.00 0.00 31.44 27.01 2hgl n GLU 50 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2hgl h GLY 51 N 0.00 0.12 -3.81 0.62 0.00 -1.80 -3.47 103.07 94.73 2hgl h GLY 51 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2hgl h GLY 51 CO 0.00 0.22 0.30 -1.60 0.00 0.00 0.00 176.54 175.46 2hgl s ARG 52 N -2.99 0.99 0.30 4.80 3.52 -1.26 -5.04 118.95 119.27 2hgl s ARG 52 Ca -0.01 0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 2hgl s ARG 52 Cb 0.10 0.46 -0.12 0.00 -1.56 0.00 0.00 34.95 33.83 2hgl s ARG 52 CO 0.83 -0.35 1.56 1.04 -0.81 0.00 0.00 175.30 177.57 2hgl n GLN 53 N 0.48 2.64 -0.09 5.12 6.02 -1.26 -1.32 117.38 128.97 2hgl n GLN 53 Ca -0.16 0.94 0.08 0.00 -0.01 0.00 0.00 57.00 57.85 2hgl n GLN 53 Cb 0.59 -2.70 0.32 0.00 1.02 0.00 0.00 30.24 29.47 2hgl n GLN 53 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2hgl n SER 54 N 1.94 1.34 -3.72 1.08 3.41 -0.69 -4.66 113.62 112.33 2hgl n SER 54 Ca 0.08 -1.76 -0.28 0.00 -0.26 0.00 0.00 58.87 56.65 2hgl n SER 54 Cb 0.37 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2hgl n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgl n GLY 55 N 1.01 -0.50 3.16 5.00 0.00 -1.26 -4.92 105.19 107.69 2hgl n GLY 55 Ca 0.13 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.41 0.80 0.15 1.61 2.02 -1.26 -0.62 118.70 114.99 2hgl s GLU 56 Ca 0.58 -1.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.18 2hgl s GLU 56 Cb -0.29 -0.42 0.06 0.00 0.10 0.00 0.00 34.13 33.58 2hgl s GLU 56 CO 0.72 0.05 0.95 0.00 0.02 0.00 0.00 175.26 177.00 2hgl s ALA 57 N -2.57 -1.64 -0.07 5.21 0.00 0.10 -1.26 121.76 121.52 2hgl s ALA 57 Ca 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2hgl s ALA 57 Cb -0.02 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2hgl s ALA 57 CO -0.01 -1.03 0.18 -0.06 0.00 0.00 0.00 175.76 174.85 2hgl s PHE 58 N -3.31 -0.21 -0.21 0.00 0.40 -0.36 -0.07 117.98 114.22 2hgl s PHE 58 Ca 0.12 0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 56.94 2hgl s PHE 58 Cb -0.02 0.04 0.07 0.00 0.51 0.00 0.00 43.02 43.62 2hgl s PHE 58 CO 0.02 -0.13 0.06 0.08 0.70 0.00 0.00 175.22 175.96 2hgl s VAL 59 N 0.42 0.35 -0.60 -0.44 1.01 0.59 -0.68 120.40 121.05 2hgl s VAL 59 Ca -0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2hgl s VAL 59 Cb -0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 2hgl s VAL 59 CO -0.02 -0.32 2.42 -0.62 0.00 0.00 0.00 175.10 176.56 2hgl n GLU 60 N 5.11 0.86 -1.01 2.72 -0.58 0.17 -0.58 120.64 127.33 2hgl n GLU 60 Ca -0.08 -0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.12 2hgl n GLU 60 Cb 0.47 -3.45 0.23 0.00 -0.57 0.00 0.00 31.44 28.11 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 12.83 0.81 0.00 -4.62 1.43 0.42 -3.15 118.68 126.40 2hgl s LEU 61 Ca 0.98 0.87 0.26 0.00 -1.03 0.00 0.00 54.13 55.20 2hgl s LEU 61 Cb -0.20 -2.72 0.60 0.00 0.03 0.00 0.00 46.19 43.91 2hgl s LEU 61 CO 0.22 -3.95 1.47 0.61 0.23 0.00 0.00 176.35 174.93 2hgl n GLY 62 N -0.68 -0.85 3.80 -3.19 0.00 -0.12 -3.57 105.19 100.58 2hgl n GLY 62 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.71 -0.15 0.36 1.61 1.04 -1.26 -4.79 113.70 107.80 2hgl s SER 63 Ca 0.18 -0.57 0.19 0.00 0.48 0.00 0.00 55.95 56.23 2hgl s SER 63 Cb 0.18 0.58 0.49 0.00 0.10 0.00 0.00 66.02 67.38 2hgl s SER 63 CO 0.60 -1.10 1.64 -0.08 0.98 0.00 0.00 173.24 175.28 2hgl h GLU 64 N 2.00 0.00 -0.03 4.02 4.81 -1.91 -1.49 114.58 121.97 2hgl h GLU 64 Ca -0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2hgl h GLU 64 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2hgl h GLU 64 CO 0.28 0.36 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.32 2hgl h ASP 65 N 0.00 0.05 -0.12 1.04 5.19 -1.98 0.83 116.42 121.43 2hgl h ASP 65 Ca -0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2hgl h ASP 65 Cb 1.05 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2hgl h ASP 65 CO 0.05 0.22 0.06 0.44 -3.12 0.00 0.00 179.24 176.89 2hgl h ASP 66 N 0.05 0.16 -0.11 6.45 3.32 -1.76 0.02 116.42 124.54 2hgl h ASP 66 Ca 0.01 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2hgl h ASP 66 Cb 0.32 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2hgl h ASP 66 CO 0.02 0.22 -0.28 -0.37 -1.72 0.00 0.00 179.24 177.12 2hgl h VAL 67 N 0.07 0.36 -0.98 -1.35 -1.51 -0.23 0.19 116.25 112.80 2hgl h VAL 67 Ca 0.04 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.62 2hgl h VAL 67 Cb 0.11 0.36 -0.08 0.00 -2.13 0.00 0.00 31.29 29.55 2hgl h VAL 67 CO -0.01 0.00 0.62 0.11 -1.23 0.00 0.00 177.57 177.06 2hgl h LYS 68 N -0.36 0.98 -0.81 5.19 1.57 -0.92 0.18 116.57 122.40 2hgl h LYS 68 Ca 0.09 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2hgl h LYS 68 Cb 0.50 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2hgl h LYS 68 CO -0.31 0.65 0.35 0.52 -0.57 0.00 0.00 179.45 180.09 2hgl h MET 69 N 1.01 1.20 -0.29 3.15 2.86 -0.34 -2.49 114.93 120.03 2hgl h MET 69 Ca 0.47 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 2hgl h MET 69 Cb 0.40 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2hgl h MET 69 CO -0.24 0.96 -0.13 0.00 1.06 0.00 0.00 176.91 178.55 2hgl h ALA 70 N 1.19 1.22 0.00 6.32 0.00 0.09 -2.87 119.26 125.20 2hgl h ALA 70 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2hgl h ALA 70 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hgl h ALA 70 CO -0.03 0.50 -0.09 -0.07 0.00 0.00 0.00 179.25 179.57 2hgl h LEU 71 N 0.47 0.00 -2.03 0.00 3.38 -0.27 -1.96 115.31 114.90 2hgl h LEU 71 Ca 0.08 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2hgl h LEU 71 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2hgl h LEU 71 CO 0.03 0.09 0.39 0.11 0.09 0.00 0.00 178.44 179.15 2hgl h LYS 72 N 0.00 0.00 -0.66 1.13 1.57 -1.23 -1.03 116.57 116.35 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 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 -3.87 3.59 0.00 3.15 4.76 -0.74 -4.85 118.16 120.19 2hgl n LYS 73 Ca 0.07 -2.86 0.00 0.00 -2.87 0.00 0.00 58.31 52.65 2hgl n LYS 73 Cb 0.57 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.21 0.04 -2.71 4.39 5.68 -0.39 -1.21 116.55 123.57 2hgl n ASP 74 Ca 0.26 -1.07 -0.05 0.00 -0.50 0.00 0.00 54.79 53.43 2hgl n ASP 74 Cb 0.85 -0.02 0.08 0.00 -1.14 0.00 0.00 41.12 40.89 2hgl n ASP 74 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hgl n ARG 75 N -0.44 1.33 -0.06 0.11 1.74 -1.22 -2.17 116.66 115.94 2hgl n ARG 75 Ca 0.00 -2.39 -0.02 0.00 -0.77 0.00 0.00 57.85 54.67 2hgl n ARG 75 Cb 0.01 -0.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.68 -1.25 -4.37 5.56 -0.58 -0.35 -4.77 120.64 114.20 2hgl n GLU 76 Ca -0.01 -0.11 -0.22 0.00 -0.42 0.00 0.00 57.16 56.39 2hgl n GLU 76 Cb 0.84 -0.11 -0.11 0.00 -0.57 0.00 0.00 31.44 31.49 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 -1.74 2.90 -0.03 1.62 1.04 -1.26 -0.46 113.70 115.77 2hgl s SER 77 Ca 0.05 -0.90 -0.09 0.00 0.48 0.00 0.00 55.95 55.48 2hgl s SER 77 Cb -0.00 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2hgl s SER 77 CO 0.04 -0.02 0.21 -0.32 0.98 0.00 0.00 173.24 174.12 2hgl s MET 78 N -2.97 0.45 0.37 4.02 1.75 0.06 -4.84 119.30 118.14 2hgl s MET 78 Ca 0.19 -0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.53 2hgl s MET 78 Cb -0.05 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.81 2hgl s MET 78 CO 0.08 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.76 2hgl n GLY 79 N 1.94 1.66 0.48 2.11 0.00 -1.26 -2.52 105.19 107.61 2hgl n GLY 79 Ca -0.19 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.76 1.61 -0.00 -1.26 -5.15 115.22 106.66 2hgl n HIS 80 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2hgl n HIS 80 Cb 0.00 0.20 -0.07 0.00 -0.12 0.00 0.00 29.99 30.00 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 0.00 0.84 0.56 1.57 1.81 -1.05 -5.02 118.95 117.66 2hgl s ARG 81 Ca 0.00 -0.60 -0.15 0.00 -1.72 0.00 0.00 55.73 53.26 2hgl s ARG 81 Cb 0.00 0.36 -0.06 0.00 -0.45 0.00 0.00 34.95 34.80 2hgl s ARG 81 CO 0.00 -0.28 1.01 0.71 -0.68 0.00 0.00 175.30 176.06 2hgl s TYR 82 N -2.90 3.41 -0.42 -0.53 2.02 -1.24 -0.76 117.35 116.94 2hgl s TYR 82 Ca -0.03 1.43 0.03 0.00 -0.37 0.00 0.00 57.07 58.14 2hgl s TYR 82 Cb 0.00 -2.81 0.16 0.00 -0.40 0.00 0.00 41.96 38.91 2hgl s TYR 82 CO -0.06 -0.59 0.32 0.42 -1.57 0.00 0.00 175.55 174.08 2hgl s ILE 83 N -2.74 0.49 0.32 2.71 -1.09 0.39 -0.66 121.20 120.62 2hgl s ILE 83 Ca 0.59 -2.53 -0.29 0.00 -2.23 0.00 0.00 60.65 56.18 2hgl s ILE 83 Cb -0.11 -1.35 -0.11 0.00 -1.58 0.00 0.00 42.46 39.31 2hgl s ILE 83 CO 0.38 -1.16 1.52 -0.70 -1.23 0.00 0.00 174.94 173.76 2hgl s GLU 84 N 0.21 4.15 -0.31 2.79 2.12 0.71 -2.08 118.70 126.28 2hgl s GLU 84 Ca 0.28 2.53 0.03 0.00 0.36 0.00 0.00 54.97 58.17 2hgl s GLU 84 Cb -0.04 -3.02 0.09 0.00 0.26 0.00 0.00 34.13 31.42 2hgl s GLU 84 CO -0.14 -0.55 0.02 0.08 -0.54 0.00 0.00 175.26 174.13 2hgl s VAL 85 N -0.45 1.93 0.42 3.70 1.01 -0.92 -0.92 120.40 125.17 2hgl s VAL 85 Ca 0.58 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.45 2hgl s VAL 85 Cb -0.46 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 2hgl s VAL 85 CO 0.53 -0.46 0.91 -0.36 0.00 0.00 0.00 175.10 175.72 2hgl s PHE 86 N 1.12 3.35 0.04 5.22 0.40 -0.06 -4.70 117.98 123.35 2hgl s PHE 86 Ca 0.05 1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 57.59 2hgl s PHE 86 Cb -0.19 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 2hgl s PHE 86 CO -0.10 -0.12 0.93 0.21 0.70 0.00 0.00 175.22 176.85 2hgl s LYS 87 N -3.31 4.60 0.35 0.44 2.20 -1.26 -0.79 119.74 121.97 2hgl s LYS 87 Ca 0.60 1.36 0.03 0.00 -0.36 0.00 0.00 55.97 57.60 2hgl s LYS 87 Cb -0.09 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2hgl s LYS 87 CO 0.17 0.09 0.40 -1.12 -0.36 0.00 0.00 175.35 174.54 2hgl s SER 88 N 0.50 1.41 0.02 1.43 0.01 0.05 -4.87 113.70 112.25 2hgl s SER 88 Ca 0.48 -1.66 0.03 0.00 1.31 0.00 0.00 55.95 56.10 2hgl s SER 88 Cb -0.22 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 2hgl s SER 88 CO 0.28 -1.22 -0.09 -1.00 0.41 0.00 0.00 173.24 171.62 2hgl s HIS 89 N -3.12 0.75 0.39 2.43 0.09 -1.26 -3.97 115.29 110.60 2hgl s HIS 89 Ca 0.36 -0.28 0.24 0.00 -0.00 0.00 0.00 55.06 55.38 2hgl s HIS 89 Cb 0.01 -0.46 1.27 0.00 -0.00 0.00 0.00 32.58 33.39 2hgl s HIS 89 CO 0.25 -0.02 2.01 0.07 -0.00 0.00 0.00 174.74 177.05 2hgl h ARG 90 N 5.32 0.00 -0.45 1.40 0.11 -1.48 0.04 114.38 119.32 2hgl h ARG 90 Ca -0.33 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.63 2hgl h ARG 90 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2hgl h ARG 90 CO 0.46 0.17 -0.18 1.15 0.10 0.00 0.00 179.97 181.66 2hgl h THR 91 N 0.00 1.27 -0.09 0.08 2.02 -1.97 -1.24 112.91 112.98 2hgl h THR 91 Ca -0.00 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 2hgl h THR 91 Cb 0.41 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2hgl h THR 91 CO 0.02 0.45 0.03 -0.08 0.37 0.00 0.00 175.52 176.31 2hgl h GLU 92 N 0.75 0.14 -0.91 6.66 4.81 -1.88 -3.11 114.58 121.05 2hgl h GLU 92 Ca 0.10 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2hgl h GLU 92 Cb 0.75 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 2hgl h GLU 92 CO 0.06 0.29 0.56 1.98 -0.73 0.00 0.00 179.01 181.17 2hgl h MET 93 N -0.03 0.92 -0.88 1.92 4.05 -0.87 -0.28 114.93 119.76 2hgl h MET 93 Ca 0.03 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2hgl h MET 93 Cb 0.21 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 2hgl h MET 93 CO -0.00 0.61 0.55 0.22 0.23 0.00 0.00 176.91 178.52 2hgl h ASP 94 N 0.95 1.04 0.34 1.39 3.58 -1.27 -2.60 116.42 119.85 2hgl h ASP 94 Ca 0.42 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 2hgl h ASP 94 Cb 0.32 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2hgl h ASP 94 CO -0.22 0.78 -0.17 -0.25 -2.88 0.00 0.00 179.24 176.50 2hgl h TRP 95 N 1.20 -0.43 -0.02 0.28 -0.00 -1.15 -3.29 115.95 112.53 2hgl h TRP 95 Ca 0.32 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.89 59.03 2hgl h TRP 95 Cb -0.08 0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.21 2hgl h TRP 95 CO -0.00 -0.17 -0.72 -0.39 -0.00 0.00 0.00 178.44 177.15 2hgl h VAL 96 N -0.62 1.46 0.00 2.65 -1.51 -0.90 0.12 116.25 117.45 2hgl h VAL 96 Ca -0.05 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 2hgl h VAL 96 Cb 0.45 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2hgl h VAL 96 CO 0.08 0.68 0.00 -0.07 -1.23 0.00 0.00 177.57 177.02 2hgl h LEU 97 N 0.10 0.00 0.00 4.19 4.07 -1.62 -3.34 115.31 118.71 2hgl h LEU 97 Ca -0.02 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.67 2hgl h LEU 97 Cb 1.28 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.98 2hgl h LEU 97 CO 0.11 0.00 -1.85 1.17 -1.08 0.00 0.00 178.44 176.79 2hgl n LYS 98 N -2.41 0.45 -4.38 1.13 4.81 -0.79 -5.01 118.16 111.96 2hgl n LYS 98 Ca 0.02 0.19 -0.35 0.00 -0.87 0.00 0.00 58.31 57.30 2hgl n LYS 98 Cb 0.24 -1.27 -0.09 0.00 0.02 0.00 0.00 35.03 33.93 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 -4.05 -1.26 -1.64 5.64 -0.00 0.36 -4.72 115.22 109.54 2hgl n HIS 99 Ca -0.35 0.65 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2hgl n HIS 99 Cb 0.70 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 2hgl n HIS 99 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2hgl n SER 100 N -2.73 0.00 0.00 0.26 7.64 -1.26 -5.09 113.62 112.44 2hgl n SER 100 Ca -0.15 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2hgl n SER 100 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.70 0.15 0.23 0.00 -1.26 -5.30 105.19 98.31 2hgl n GLY 101 Ca 0.00 0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.45 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77