#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgl h MET 2 N 0.00 0.00 -5.07 2.12 2.86 -2.00 -3.41 114.93 109.43 2hgl h MET 2 Ca 0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 2hgl h MET 2 Cb 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.51 2hgl h MET 2 CO 0.00 0.00 -0.70 -0.48 1.06 0.00 0.00 176.91 176.79 2hgl s LEU 3 N -8.10 2.47 -0.02 1.22 0.05 -1.26 -5.03 118.68 108.00 2hgl s LEU 3 Ca -0.05 -1.05 -0.00 0.00 0.05 0.00 0.00 54.13 53.08 2hgl s LEU 3 Cb 0.16 -0.33 0.00 0.00 -2.05 0.00 0.00 46.19 43.97 2hgl s LEU 3 CO 0.59 -0.36 0.02 0.61 -0.55 0.00 0.00 176.35 176.65 2hgl n GLY 4 N -0.23 -0.03 3.75 -3.48 0.00 -1.26 -4.80 105.19 99.14 2hgl n GLY 4 Ca -0.09 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2hgl n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgl s PRO 5 N -2.95 2.77 0.00 1.61 0.04 -1.26 -4.55 135.00 130.66 2hgl s PRO 5 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2hgl s PRO 5 Cb -0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2hgl s PRO 5 CO 0.02 -1.36 0.00 0.39 0.04 0.00 0.00 177.00 176.09 2hgl n GLU 6 N -1.89 0.60 0.00 4.56 1.02 -1.26 -4.99 120.64 118.68 2hgl n GLU 6 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2hgl n GLU 6 Cb 0.50 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgl n GLY 7 N 1.55 -0.03 4.59 0.62 0.00 -1.26 -5.08 105.19 105.58 2hgl n GLY 7 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.19 1.11 0.29 -0.02 0.00 -1.26 -4.77 105.19 100.73 2hgl n GLY 8 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2hgl n GLY 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hgl h GLU 9 N 0.41 0.00 -2.81 1.61 -0.00 -1.98 -3.44 114.58 108.37 2hgl h GLU 9 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.42 2hgl h GLU 9 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 2hgl h GLU 9 CO 0.00 0.03 0.40 0.20 -0.00 0.00 0.00 179.01 179.65 2hgl s GLY 10 N -4.14 0.26 -0.26 1.06 0.00 -1.26 -4.93 107.32 98.05 2hgl s GLY 10 Ca -0.04 -0.57 0.09 0.00 0.00 0.00 0.00 44.72 44.20 2hgl s GLY 10 CO 0.54 0.83 1.31 0.69 0.00 0.00 0.00 173.10 176.48 2hgl n PHE 11 N -0.60 0.80 -2.12 1.90 3.72 -1.26 -4.89 117.46 115.01 2hgl n PHE 11 Ca -0.06 -1.67 -0.41 0.00 -0.05 0.00 0.00 57.45 55.26 2hgl n PHE 11 Cb 0.60 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2hgl n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2hgl s VAL 12 N -3.46 2.96 -0.13 -4.37 1.01 -1.25 -0.28 120.40 114.87 2hgl s VAL 12 Ca 0.43 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2hgl s VAL 12 Cb 0.39 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2hgl s VAL 12 CO -0.03 0.12 -0.14 0.68 0.00 0.00 0.00 175.10 175.73 2hgl s VAL 13 N 0.12 2.95 0.33 2.92 -7.23 0.16 -1.23 120.40 118.42 2hgl s VAL 13 Ca 0.58 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 2hgl s VAL 13 Cb -0.39 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.22 2hgl s VAL 13 CO 0.40 0.52 0.96 -0.75 -0.31 0.00 0.00 175.10 175.92 2hgl s LYS 14 N 0.43 4.55 -0.16 4.82 2.20 0.28 -0.28 119.74 131.58 2hgl s LYS 14 Ca -0.11 1.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.85 2hgl s LYS 14 Cb -0.16 -2.79 0.05 0.00 -1.51 0.00 0.00 37.83 33.41 2hgl s LYS 14 CO 0.05 0.24 0.00 -0.51 -0.36 0.00 0.00 175.35 174.77 2hgl s LEU 15 N -2.08 1.21 -0.02 5.43 1.43 0.79 -0.44 118.68 125.01 2hgl s LEU 15 Ca 0.51 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2hgl s LEU 15 Cb -0.19 -0.67 -0.00 0.00 0.03 0.00 0.00 46.19 45.36 2hgl s LEU 15 CO 0.25 -0.25 -0.10 -0.60 0.23 0.00 0.00 176.35 175.88 2hgl s ARG 16 N 1.81 0.90 0.00 1.70 3.00 -0.01 -0.42 118.95 125.92 2hgl s ARG 16 Ca 0.01 -0.34 0.00 0.00 -1.00 0.00 0.00 55.73 54.39 2hgl s ARG 16 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 34.95 33.94 2hgl s ARG 16 CO -0.07 0.17 0.00 0.41 0.00 0.00 0.00 175.30 175.81 2hgl n GLY 17 N 3.03 1.16 2.98 8.12 0.00 0.19 -0.21 105.19 120.47 2hgl n GLY 17 Ca -0.16 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.86 -4.75 0.99 4.77 -0.16 -3.86 117.00 109.13 2hgl n LEU 18 Ca 0.00 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 2hgl n LEU 18 Cb 0.00 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.33 2hgl n LEU 18 CO 0.00 -5.31 1.04 -2.65 -1.33 0.00 0.00 177.39 169.13 2hgl n PRO 19 N 2.00 2.32 0.00 3.23 -0.02 -1.26 -4.01 135.00 137.26 2hgl n PRO 19 Ca 0.02 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.35 2hgl n PRO 19 Cb 0.50 -2.56 0.18 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.07 0.00 -0.25 6.00 2.14 -1.26 -1.80 117.44 122.34 2hgl n TRP 20 Ca 0.04 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.61 2hgl n TRP 20 Cb 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.89 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2hgl n SER 21 N -0.90 1.32 -4.68 -0.67 3.41 -1.26 -3.91 113.62 106.92 2hgl n SER 21 Ca 0.04 -1.57 -0.36 0.00 -0.26 0.00 0.00 58.87 56.72 2hgl n SER 21 Cb 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.66 0.00 0.56 0.00 1.04 -1.26 -5.00 113.70 107.38 2hgl s SER 23 Ca 0.77 -0.79 0.27 0.00 0.48 0.00 0.00 55.95 56.69 2hgl s SER 23 Cb -0.35 0.45 1.48 0.00 0.10 0.00 0.00 66.02 67.70 2hgl s SER 23 CO 0.46 -0.90 1.81 1.62 0.98 0.00 0.00 173.24 177.21 2hgl h VAL 24 N 2.51 0.00 -0.07 5.02 3.04 -1.97 0.17 116.25 124.95 2hgl h VAL 24 Ca -0.32 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.28 2hgl h VAL 24 Cb 1.23 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2hgl h VAL 24 CO 0.47 0.00 -0.40 -0.33 -1.01 0.00 0.00 177.57 176.30 2hgl h GLU 25 N 0.00 0.15 0.00 4.17 3.07 -1.97 -2.72 114.58 117.28 2hgl h GLU 25 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2hgl h GLU 25 Cb 0.52 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2hgl h GLU 25 CO 0.00 0.53 -0.32 0.22 -1.40 0.00 0.00 179.01 178.04 2hgl h ASP 26 N 0.13 0.00 -0.13 1.42 3.58 -1.11 -1.37 116.42 118.94 2hgl h ASP 26 Ca 0.01 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2hgl h ASP 26 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2hgl h ASP 26 CO 0.06 0.01 -0.31 -0.37 -2.88 0.00 0.00 179.24 175.76 2hgl h VAL 27 N 0.00 1.37 -0.20 2.25 -1.51 -1.18 -0.61 116.25 116.37 2hgl h VAL 27 Ca 0.00 -1.59 -0.14 0.00 -1.23 0.00 0.00 66.70 63.74 2hgl h VAL 27 Cb 0.92 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 2hgl h VAL 27 CO 0.00 0.47 -0.46 1.56 -1.23 0.00 0.00 177.57 177.91 2hgl h GLN 28 N 0.04 0.50 0.06 5.19 4.20 -1.57 -1.50 115.11 122.03 2hgl h GLN 28 Ca -0.00 -0.28 -0.26 0.00 0.06 0.00 0.00 58.65 58.17 2hgl h GLN 28 Cb 0.91 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 2hgl h GLN 28 CO 0.07 0.86 -1.28 -0.97 -0.67 0.00 0.00 178.83 176.84 2hgl h ASN 29 N 0.40 0.21 -0.80 1.46 -1.24 -1.28 -1.84 115.58 112.49 2hgl h ASN 29 Ca 0.03 -0.26 0.04 0.00 0.71 0.00 0.00 56.30 56.82 2hgl h ASN 29 Cb 0.96 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.90 2hgl h ASN 29 CO 0.09 1.21 0.53 0.15 -1.29 0.00 0.00 177.43 178.11 2hgl h PHE 30 N 0.04 0.93 -1.59 0.67 3.57 -1.13 -3.13 116.94 116.30 2hgl h PHE 30 Ca -0.13 0.02 -0.65 0.00 3.53 0.00 0.00 57.97 60.74 2hgl h PHE 30 Cb 1.91 -0.31 -0.36 0.00 2.79 0.00 0.00 35.95 39.98 2hgl h PHE 30 CO 0.03 0.53 -0.06 1.28 -2.23 0.00 0.00 178.31 177.86 2hgl n LEU 31 N -4.46 5.82 -2.26 0.59 4.77 -0.57 -4.77 117.00 116.12 2hgl n LEU 31 Ca 0.11 -5.01 -0.01 0.00 -0.03 0.00 0.00 56.01 51.07 2hgl n LEU 31 Cb 0.15 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2hgl n LEU 31 CO 0.34 2.03 0.43 -1.54 -1.33 0.00 0.00 177.39 177.33 2hgl n SER 32 N -0.54 0.57 0.00 -1.43 3.41 -0.70 -1.80 113.62 113.13 2hgl n SER 32 Ca 0.46 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2hgl n SER 32 Cb 0.54 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2hgl n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hgl n ASP 33 N 2.58 0.00 -3.82 4.04 8.00 -1.26 -5.12 116.55 120.97 2hgl n ASP 33 Ca 0.03 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 2hgl n ASP 33 Cb 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2hgl n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hgl s THR 35 N -3.76 1.64 0.39 0.00 2.01 -1.26 -5.05 115.64 109.61 2hgl s THR 35 Ca 0.27 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2hgl s THR 35 Cb 0.01 -1.52 -0.08 0.00 0.01 0.00 0.00 72.50 70.92 2hgl s THR 35 CO 0.12 0.47 0.79 -0.63 -0.69 0.00 0.00 174.62 174.68 2hgl s ILE 36 N 1.35 4.71 -1.66 1.82 1.09 -1.26 -0.40 121.20 126.85 2hgl s ILE 36 Ca 0.03 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.41 2hgl s ILE 36 Cb -0.13 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 2hgl s ILE 36 CO -0.09 -0.42 0.19 1.57 -0.10 0.00 0.00 174.94 176.09 2hgl n HIS 37 N -0.99 0.00 0.00 3.97 -0.00 -1.24 -3.51 115.22 113.46 2hgl n HIS 37 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2hgl n HIS 37 Cb 0.54 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2hgl n HIS 37 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2hgl n ASP 38 N -0.20 0.00 0.00 0.26 2.03 -1.26 -4.97 116.55 112.41 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 0.02 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.28 4.40 0.00 0.27 0.00 -1.23 -4.89 105.19 102.46 2hgl n GLY 39 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.23 4.61 0.00 -1.26 -4.83 120.51 121.05 2hgl n ALA 40 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2hgl n ALA 40 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.43 2.18 0.00 0.00 0.00 -1.26 -2.88 120.51 118.12 2hgl n ALA 41 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2hgl n ALA 41 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.18 0.91 3.84 0.00 0.00 -1.26 -5.00 105.19 103.86 2hgl n GLY 42 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.99 4.79 0.04 1.61 0.11 -1.14 -0.51 120.40 124.32 2hgl s VAL 43 Ca 0.00 0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 59.99 2hgl s VAL 43 Cb 0.00 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2hgl s VAL 43 CO 0.00 0.26 -0.03 -1.00 -3.33 0.00 0.00 175.10 171.00 2hgl s HIS 44 N -1.45 0.44 0.22 1.54 0.09 0.39 -4.99 115.29 111.55 2hgl s HIS 44 Ca 0.38 -0.91 0.11 0.00 -0.00 0.00 0.00 55.06 54.63 2hgl s HIS 44 Cb -0.16 -0.33 -0.05 0.00 -0.00 0.00 0.00 32.58 32.05 2hgl s HIS 44 CO 0.19 -0.33 -0.18 -0.06 -0.00 0.00 0.00 174.74 174.36 2hgl s PHE 45 N -3.22 2.39 0.11 1.40 0.40 -1.26 -1.30 117.98 116.51 2hgl s PHE 45 Ca 0.00 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.96 2hgl s PHE 45 Cb 0.03 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 2hgl s PHE 45 CO -0.07 0.57 0.36 0.42 0.70 0.00 0.00 175.22 177.20 2hgl s ILE 46 N -1.94 5.17 0.04 0.64 -1.09 -0.81 -4.91 121.20 118.30 2hgl s ILE 46 Ca 0.25 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2hgl s ILE 46 Cb -0.07 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2hgl s ILE 46 CO 0.13 0.14 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.62 2hgl s TYR 47 N -1.55 0.46 -0.31 3.97 2.02 -1.26 -1.08 117.35 119.60 2hgl s TYR 47 Ca 0.37 -0.61 0.22 0.00 -0.37 0.00 0.00 57.07 56.69 2hgl s TYR 47 Cb -0.13 -0.30 0.39 0.00 -0.40 0.00 0.00 41.96 41.52 2hgl s TYR 47 CO 0.22 -0.18 1.62 1.79 -1.57 0.00 0.00 175.55 177.43 2hgl h THR 48 N 4.32 0.21 -3.15 -0.71 1.35 -1.82 -3.46 112.91 109.65 2hgl h THR 48 Ca -0.34 -1.22 -0.63 0.00 -0.55 0.00 0.00 66.41 63.67 2hgl h THR 48 Cb 1.20 2.04 -0.13 0.00 -1.73 0.00 0.00 68.15 69.53 2hgl h THR 48 CO 0.45 0.11 -0.69 -0.13 -0.25 0.00 0.00 175.52 175.02 2hgl s ARG 49 N -3.21 2.29 0.74 4.72 0.52 -1.26 -4.80 118.95 117.95 2hgl s ARG 49 Ca 0.06 -1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 2hgl s ARG 49 Cb 0.06 -2.34 0.17 0.00 0.52 0.00 0.00 34.95 33.36 2hgl s ARG 49 CO 0.67 0.48 1.01 0.39 0.02 0.00 0.00 175.30 177.87 2hgl n GLU 50 N 0.22 -0.90 0.00 3.54 -0.58 -1.26 -4.94 120.64 116.72 2hgl n GLU 50 Ca -0.11 -1.65 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 2hgl n GLU 50 Cb 0.54 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgl n GLY 51 N -1.68 2.96 3.68 0.62 0.00 -1.26 -5.10 105.19 104.41 2hgl n GLY 51 Ca 0.13 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 1.61 0.98 1.61 3.52 -1.26 -5.02 118.95 120.39 2hgl s ARG 52 Ca 0.00 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.39 2hgl s ARG 52 Cb 0.00 0.53 0.18 0.00 -1.56 0.00 0.00 34.95 34.10 2hgl s ARG 52 CO 0.00 -0.70 1.08 -0.65 -0.81 0.00 0.00 175.30 174.22 2hgl s GLN 53 N -3.96 0.56 0.45 5.12 1.11 -1.25 -2.68 119.66 119.01 2hgl s GLN 53 Ca 0.16 0.83 0.03 0.00 0.01 0.00 0.00 55.36 56.39 2hgl s GLN 53 Cb -0.03 -1.73 -0.03 0.00 -1.01 0.00 0.00 33.01 30.22 2hgl s GLN 53 CO 0.06 -2.72 0.05 0.45 0.01 0.00 0.00 175.29 173.14 2hgl s SER 54 N -3.15 3.56 0.00 5.90 0.15 -0.24 -4.80 113.70 115.12 2hgl s SER 54 Ca 0.65 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2hgl s SER 54 Cb -0.20 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2hgl s SER 54 CO 0.59 -0.81 1.28 0.61 1.20 0.00 0.00 173.24 176.11 2hgl n GLY 55 N -1.08 2.01 3.15 9.45 0.00 -1.26 -4.54 105.19 112.93 2hgl n GLY 55 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.14 0.77 0.29 1.61 2.02 -1.26 -0.63 118.70 121.63 2hgl s GLU 56 Ca 0.00 -1.08 -0.21 0.00 0.02 0.00 0.00 54.97 53.70 2hgl s GLU 56 Cb 0.00 -0.44 0.02 0.00 0.10 0.00 0.00 34.13 33.81 2hgl s GLU 56 CO 0.00 0.06 0.73 0.00 0.02 0.00 0.00 175.26 176.08 2hgl s ALA 57 N -2.32 -1.18 -0.14 5.21 0.00 0.44 -1.92 121.76 121.85 2hgl s ALA 57 Ca 0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 2hgl s ALA 57 Cb -0.04 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.96 2hgl s ALA 57 CO -0.01 -1.04 0.35 -0.06 0.00 0.00 0.00 175.76 175.01 2hgl s PHE 58 N -3.75 -0.44 -0.23 0.00 0.40 -0.42 -0.15 117.98 113.38 2hgl s PHE 58 Ca 0.11 1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 57.43 2hgl s PHE 58 Cb -0.06 0.16 0.09 0.00 0.51 0.00 0.00 43.02 43.72 2hgl s PHE 58 CO 0.07 -0.24 0.16 0.08 0.70 0.00 0.00 175.22 175.99 2hgl s VAL 59 N 0.70 -0.17 -0.52 -0.44 1.01 0.61 -0.46 120.40 121.14 2hgl s VAL 59 Ca -0.04 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2hgl s VAL 59 Cb -0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 2hgl s VAL 59 CO -0.05 -0.44 2.43 -0.62 0.00 0.00 0.00 175.10 176.43 2hgl n GLU 60 N 5.28 0.99 -0.85 2.72 -0.58 0.33 -0.66 120.64 127.87 2hgl n GLU 60 Ca -0.06 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.39 2hgl n GLU 60 Cb 0.46 -3.28 0.26 0.00 -0.57 0.00 0.00 31.44 28.32 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 11.82 -0.03 0.03 -4.62 1.43 0.62 -4.07 118.68 123.86 2hgl s LEU 61 Ca 1.01 0.59 0.24 0.00 -1.03 0.00 0.00 54.13 54.94 2hgl s LEU 61 Cb -0.27 -2.15 0.23 0.00 0.03 0.00 0.00 46.19 44.03 2hgl s LEU 61 CO 0.29 -4.69 1.21 0.61 0.23 0.00 0.00 176.35 173.99 2hgl n GLY 62 N -0.22 -1.22 3.83 -3.19 0.00 0.47 -3.62 105.19 101.24 2hgl n GLY 62 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.43 -0.16 0.46 1.61 0.15 -1.26 -4.69 113.70 106.37 2hgl s SER 63 Ca 0.08 -0.80 0.26 0.00 0.70 0.00 0.00 55.95 56.19 2hgl s SER 63 Cb 0.16 0.76 1.01 0.00 -1.71 0.00 0.00 66.02 66.24 2hgl s SER 63 CO 0.76 -1.44 1.86 -0.08 1.20 0.00 0.00 173.24 175.53 2hgl h GLU 64 N 2.01 0.00 -0.73 5.44 4.81 -1.91 -2.20 114.58 122.00 2hgl h GLU 64 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2hgl h GLU 64 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 2hgl h GLU 64 CO 0.29 0.18 0.46 -0.44 -0.73 0.00 0.00 179.01 178.77 2hgl h ASP 65 N 0.00 0.86 -0.60 1.04 5.19 -1.95 -0.42 116.42 120.53 2hgl h ASP 65 Ca -0.00 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 2hgl h ASP 65 Cb 0.70 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 2hgl h ASP 65 CO 0.02 0.64 0.22 0.44 -3.12 0.00 0.00 179.24 177.44 2hgl h ASP 66 N 1.00 0.84 -0.25 6.45 3.32 -1.72 -0.44 116.42 125.62 2hgl h ASP 66 Ca 0.26 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2hgl h ASP 66 Cb -0.07 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 2hgl h ASP 66 CO -0.05 0.80 -0.03 -0.37 -1.72 0.00 0.00 179.24 177.87 2hgl h VAL 67 N 0.84 0.79 -0.62 -1.35 -1.51 -0.71 0.98 116.25 114.66 2hgl h VAL 67 Ca 0.20 -0.01 0.11 0.00 -1.23 0.00 0.00 66.70 65.76 2hgl h VAL 67 Cb 0.24 0.75 -0.08 0.00 -2.13 0.00 0.00 31.29 30.07 2hgl h VAL 67 CO -0.01 0.01 0.20 0.11 -1.23 0.00 0.00 177.57 176.64 2hgl h LYS 68 N 0.03 0.34 -0.78 5.19 1.57 -1.10 -0.34 116.57 121.48 2hgl h LYS 68 Ca 0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2hgl h LYS 68 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2hgl h LYS 68 CO -0.23 0.23 0.40 0.52 -0.57 0.00 0.00 179.45 179.80 2hgl h MET 69 N 0.35 1.09 -0.03 3.15 2.86 -0.13 -2.62 114.93 119.60 2hgl h MET 69 Ca 0.32 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.71 2hgl h MET 69 Cb 0.45 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hgl h MET 69 CO -0.36 0.82 -0.53 0.00 1.06 0.00 0.00 176.91 177.90 2hgl h ALA 70 N 1.35 1.05 0.00 6.32 0.00 -0.13 -2.82 119.26 125.02 2hgl h ALA 70 Ca 0.27 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2hgl h ALA 70 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2hgl h ALA 70 CO -0.04 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.68 2hgl h LEU 71 N 0.07 0.00 -1.94 0.00 3.38 -0.72 -2.50 115.31 113.60 2hgl h LEU 71 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2hgl h LEU 71 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2hgl h LEU 71 CO 0.07 0.14 0.57 0.11 0.09 0.00 0.00 178.44 179.42 2hgl h LYS 72 N 0.00 0.00 -0.50 1.13 1.57 -1.25 -1.47 116.57 116.04 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2hgl h LYS 72 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 2hgl n LYS 73 N -3.97 3.19 0.00 3.15 4.76 -0.94 -4.88 118.16 119.47 2hgl n LYS 73 Ca 0.13 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.99 2hgl n LYS 73 Cb 0.82 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.75 0.04 -1.79 4.39 5.75 -0.56 -1.67 116.55 123.47 2hgl n ASP 74 Ca 0.20 -0.46 -0.04 0.00 -0.01 0.00 0.00 54.79 54.48 2hgl n ASP 74 Cb 0.71 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.34 0.64 -0.15 0.11 1.74 -1.21 -2.87 116.66 114.58 2hgl n ARG 75 Ca 0.00 -1.16 -0.12 0.00 -0.77 0.00 0.00 57.85 55.81 2hgl n ARG 75 Cb 0.01 0.42 0.11 0.00 -1.02 0.00 0.00 32.46 31.98 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 -0.70 -2.86 -4.26 5.56 -0.58 -0.67 -4.74 120.64 112.39 2hgl n GLU 76 Ca -0.22 -0.58 -0.21 0.00 -0.42 0.00 0.00 57.16 55.73 2hgl n GLU 76 Cb 0.79 -0.71 -0.12 0.00 -0.57 0.00 0.00 31.44 30.83 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 -2.47 2.22 0.03 1.62 1.04 -1.26 -0.61 113.70 114.26 2hgl s SER 77 Ca 0.26 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 2hgl s SER 77 Cb -0.04 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.01 2hgl s SER 77 CO 0.21 -0.04 0.36 -0.32 0.98 0.00 0.00 173.24 174.43 2hgl s MET 78 N -2.23 0.83 0.00 4.02 1.75 -0.05 -4.87 119.30 118.75 2hgl s MET 78 Ca 0.07 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 2hgl s MET 78 Cb -0.08 0.37 0.00 0.00 2.84 0.00 0.00 34.83 37.96 2hgl s MET 78 CO 0.04 -0.27 0.00 0.41 -0.65 0.00 0.00 175.02 174.55 2hgl n GLY 79 N 0.72 1.37 0.26 2.11 0.00 -1.26 -1.91 105.19 106.47 2hgl n GLY 79 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hgl n GLY 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hgl n HIS 80 N 0.00 0.00 -4.06 1.61 -0.00 -1.26 -5.17 115.22 106.35 2hgl n HIS 80 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2hgl n HIS 80 Cb 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 29.99 30.05 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 0.00 0.52 0.47 -1.40 1.81 -0.80 -5.07 118.95 114.47 2hgl s ARG 81 Ca 0.00 -1.03 -0.23 0.00 -1.72 0.00 0.00 55.73 52.75 2hgl s ARG 81 Cb 0.00 0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.61 2hgl s ARG 81 CO 0.00 -0.09 1.19 0.71 -0.68 0.00 0.00 175.30 176.43 2hgl s TYR 82 N -3.16 2.81 -0.52 -0.53 1.51 -1.25 -0.87 117.35 115.34 2hgl s TYR 82 Ca -0.00 1.51 0.05 0.00 -1.01 0.00 0.00 57.07 57.62 2hgl s TYR 82 Cb 0.02 -3.44 0.20 0.00 -0.11 0.00 0.00 41.96 38.63 2hgl s TYR 82 CO -0.07 -1.69 0.48 -0.89 -1.11 0.00 0.00 175.55 172.27 2hgl n ILE 83 N -0.51 0.20 -2.00 2.71 2.08 0.22 -0.99 119.36 121.08 2hgl n ILE 83 Ca 0.07 -4.20 -0.41 0.00 0.56 0.00 0.00 62.75 58.77 2hgl n ILE 83 Cb 0.47 -1.93 -0.02 0.00 -0.75 0.00 0.00 39.64 37.42 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 -0.97 4.26 -0.33 0.38 2.12 0.71 -2.99 118.70 121.87 2hgl s GLU 84 Ca 0.32 2.32 0.03 0.00 0.36 0.00 0.00 54.97 58.00 2hgl s GLU 84 Cb 0.06 -3.11 0.09 0.00 0.26 0.00 0.00 34.13 31.43 2hgl s GLU 84 CO -0.15 -0.44 0.03 0.08 -0.54 0.00 0.00 175.26 174.24 2hgl s VAL 85 N 0.07 2.15 0.16 3.70 1.01 -1.14 -0.83 120.40 125.52 2hgl s VAL 85 Ca 0.60 -2.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 2hgl s VAL 85 Cb -0.42 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 2hgl s VAL 85 CO 0.43 -0.54 0.71 -0.36 0.00 0.00 0.00 175.10 175.34 2hgl s PHE 86 N 0.98 3.82 0.15 5.22 0.40 0.42 -4.70 117.98 124.27 2hgl s PHE 86 Ca 0.08 1.48 -0.31 0.00 -0.60 0.00 0.00 56.93 57.58 2hgl s PHE 86 Cb -0.19 -2.66 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 2hgl s PHE 86 CO -0.09 0.49 1.48 0.21 0.70 0.00 0.00 175.22 178.01 2hgl s LYS 87 N -1.34 4.27 0.21 0.44 2.20 -1.26 -0.56 119.74 123.69 2hgl s LYS 87 Ca 0.36 2.23 -0.04 0.00 -0.36 0.00 0.00 55.97 58.16 2hgl s LYS 87 Cb -0.21 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2hgl s LYS 87 CO 0.23 -0.51 0.21 0.45 -0.36 0.00 0.00 175.35 175.37 2hgl s SER 88 N 1.05 0.10 0.11 1.43 0.15 -0.36 -4.78 113.70 111.39 2hgl s SER 88 Ca 0.67 -1.27 0.03 0.00 0.70 0.00 0.00 55.95 56.08 2hgl s SER 88 Cb -0.41 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2hgl s SER 88 CO 0.32 -0.91 -0.08 -1.00 1.20 0.00 0.00 173.24 172.77 2hgl s HIS 89 N -4.12 1.01 0.00 3.44 3.76 -1.26 -3.93 115.29 114.19 2hgl s HIS 89 Ca 0.34 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2hgl s HIS 89 Cb 0.05 -0.56 -0.09 0.00 1.11 0.00 0.00 32.58 33.10 2hgl s HIS 89 CO 0.11 -0.05 1.91 -2.13 -0.85 0.00 0.00 174.74 173.73 2hgl n ARG 90 N 0.12 0.97 0.05 1.40 0.63 -1.26 -1.83 116.66 116.74 2hgl n ARG 90 Ca -0.13 -0.33 0.00 0.00 -0.92 0.00 0.00 57.85 56.47 2hgl n ARG 90 Cb 0.60 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2hgl n ARG 90 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2hgl n THR 91 N 2.20 0.00 -0.03 5.15 -1.04 -1.26 -4.44 114.28 114.86 2hgl n THR 91 Ca 0.14 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.07 2hgl n THR 91 Cb 0.46 -0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 2hgl n THR 91 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2hgl h GLU 92 N 0.00 0.05 -0.75 -2.82 4.57 -1.97 -1.89 114.58 111.77 2hgl h GLU 92 Ca 0.00 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2hgl h GLU 92 Cb 0.00 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2hgl h GLU 92 CO 0.00 0.03 0.48 1.98 -1.18 0.00 0.00 179.01 180.32 2hgl h MET 93 N 0.05 0.92 -0.25 1.92 4.05 -1.67 -1.33 114.93 118.62 2hgl h MET 93 Ca 0.09 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 2hgl h MET 93 Cb 0.11 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2hgl h MET 93 CO -0.16 0.61 -0.16 0.22 0.23 0.00 0.00 176.91 177.65 2hgl h ASP 94 N 0.95 0.42 0.77 1.39 3.58 -1.73 -2.59 116.42 119.22 2hgl h ASP 94 Ca 0.30 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 2hgl h ASP 94 Cb -0.01 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 40.93 2hgl h ASP 94 CO -0.10 0.61 -0.37 -0.25 -2.88 0.00 0.00 179.24 176.25 2hgl h TRP 95 N 0.40 -0.96 0.00 0.28 -0.00 -1.07 -3.38 115.95 111.21 2hgl h TRP 95 Ca 0.07 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.86 2hgl h TRP 95 Cb 0.52 0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.99 2hgl h TRP 95 CO 0.02 -0.58 -0.39 -0.39 -0.00 0.00 0.00 178.44 177.09 2hgl h VAL 96 N -1.19 1.12 0.00 2.65 -1.51 -0.90 -1.61 116.25 114.80 2hgl h VAL 96 Ca -0.11 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2hgl h VAL 96 Cb 0.81 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2hgl h VAL 96 CO 0.17 0.38 0.00 0.18 -1.23 0.00 0.00 177.57 177.08 2hgl n LEU 97 N -3.84 0.17 0.01 4.19 4.32 -1.01 -2.86 117.00 117.98 2hgl n LEU 97 Ca -0.01 0.55 0.11 0.00 -0.02 0.00 0.00 56.01 56.63 2hgl n LEU 97 Cb 0.45 -0.53 -0.14 0.00 -1.62 0.00 0.00 43.42 41.59 2hgl n LEU 97 CO 0.38 -0.37 -0.57 0.29 -1.22 0.00 0.00 177.39 175.90 2hgl n LYS 98 N -1.70 0.57 -1.66 3.23 5.02 -0.61 -4.90 118.16 118.12 2hgl n LYS 98 Ca 0.03 -0.13 -0.45 0.00 -2.02 0.00 0.00 58.31 55.73 2hgl n LYS 98 Cb 0.16 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2hgl n LYS 98 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2hgl n HIS 99 N -2.22 2.02 0.00 2.13 -0.00 -1.13 -4.86 115.22 111.15 2hgl n HIS 99 Ca -0.03 0.49 0.00 0.00 0.46 0.00 0.00 57.72 58.65 2hgl n HIS 99 Cb 0.54 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 2hgl n HIS 99 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2hgl n SER 100 N 1.91 0.00 0.00 0.26 2.88 -1.26 -4.14 113.62 113.27 2hgl n SER 100 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2hgl n SER 100 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgl n GLY 101 N -0.63 -1.25 0.00 0.46 0.00 -1.26 -4.80 105.19 97.71 2hgl n GLY 101 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27