#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 0.00 2.12 4.05 -1.93 -1.65 114.93 117.52 2hgl h MET 2 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2hgl h MET 2 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2hgl h MET 2 CO 0.00 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.42 2hgl n LEU 3 N -2.74 0.08 0.00 3.39 4.77 -1.26 -4.90 117.00 116.33 2hgl n LEU 3 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2hgl n LEU 3 Cb 0.34 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2hgl n LEU 3 CO 0.12 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 2hgl n GLY 4 N -0.78 -0.93 3.14 -0.72 0.00 -0.62 -5.17 105.19 100.10 2hgl n GLY 4 Ca 0.01 0.69 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 2hgl n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgl n PRO 5 N 0.00 -2.23 -3.72 1.61 -0.04 -1.26 -4.77 135.00 124.59 2hgl n PRO 5 Ca 0.00 -1.61 -0.31 0.00 -0.04 0.00 0.00 63.50 61.54 2hgl n PRO 5 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 2hgl n PRO 5 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgl n GLU 6 N -4.04 2.28 0.00 0.54 -0.58 0.25 -0.66 120.64 118.44 2hgl n GLU 6 Ca 0.14 -4.52 0.00 0.00 -0.42 0.00 0.00 57.16 52.36 2hgl n GLU 6 Cb 0.51 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgl n GLY 7 N 1.88 0.77 0.30 0.62 0.00 -1.26 -3.79 105.19 103.72 2hgl n GLY 7 Ca 0.22 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.53 2hgl n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hgl h GLY 8 N 0.00 0.87 -7.68 -0.02 0.00 -1.87 0.73 103.07 95.11 2hgl h GLY 8 Ca 0.00 0.17 -0.63 0.00 0.00 0.00 0.00 47.33 46.87 2hgl h GLY 8 CO 0.00 -0.35 -0.79 -1.83 0.00 0.00 0.00 176.54 173.58 2hgl s GLU 9 N -6.13 1.74 0.00 4.80 -1.05 -1.26 -4.82 118.70 111.98 2hgl s GLU 9 Ca -0.14 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.57 2hgl s GLU 9 Cb 0.24 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2hgl s GLU 9 CO 0.76 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.77 2hgl n GLY 10 N 4.60 0.02 1.03 -3.83 0.00 -1.26 -4.77 105.19 100.98 2hgl n GLY 10 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 -2.03 1.61 3.72 -1.26 -4.69 117.46 114.93 2hgl n PHE 11 Ca 0.00 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.46 2hgl n PHE 11 Cb 0.00 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.25 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 -0.16 2.60 -0.12 -4.37 1.01 -1.24 -0.38 120.40 117.73 2hgl s VAL 12 Ca 0.02 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2hgl s VAL 12 Cb 0.02 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2hgl s VAL 12 CO 0.00 0.11 -0.21 0.68 0.00 0.00 0.00 175.10 175.69 2hgl s VAL 13 N -0.61 2.26 0.38 2.92 -7.23 0.44 -0.82 120.40 117.74 2hgl s VAL 13 Ca 0.54 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 2hgl s VAL 13 Cb -0.42 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 2hgl s VAL 13 CO 0.50 0.55 1.09 -0.75 -0.31 0.00 0.00 175.10 176.17 2hgl s LYS 14 N 0.55 4.20 -0.06 4.82 2.20 0.61 -0.07 119.74 131.99 2hgl s LYS 14 Ca -0.13 1.64 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2hgl s LYS 14 Cb -0.17 -2.67 0.01 0.00 -1.51 0.00 0.00 37.83 33.49 2hgl s LYS 14 CO 0.04 -0.14 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.23 2hgl s LEU 15 N -2.43 1.77 -0.03 5.43 1.02 0.90 -0.55 118.68 124.79 2hgl s LEU 15 Ca 0.56 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 54.36 2hgl s LEU 15 Cb -0.26 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.06 2hgl s LEU 15 CO 0.32 0.08 0.03 -0.60 0.02 0.00 0.00 176.35 176.21 2hgl s ARG 16 N 0.45 0.09 0.00 1.70 3.00 -0.02 -1.03 118.95 123.12 2hgl s ARG 16 Ca -0.12 0.22 0.00 0.00 -1.00 0.00 0.00 55.73 54.83 2hgl s ARG 16 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 34.95 34.35 2hgl s ARG 16 CO 0.04 -0.23 0.00 0.41 0.00 0.00 0.00 175.30 175.52 2hgl n GLY 17 N 4.63 1.18 2.59 8.12 0.00 0.37 -0.38 105.19 121.71 2hgl n GLY 17 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.95 -4.61 0.99 -0.00 -0.11 -4.22 117.00 104.09 2hgl n LEU 18 Ca 0.00 0.20 -0.40 0.00 -0.00 0.00 0.00 56.01 55.81 2hgl n LEU 18 Cb 0.00 -0.66 0.03 0.00 -0.00 0.00 0.00 43.42 42.79 2hgl n LEU 18 CO 0.00 -5.06 0.57 -2.65 -0.00 0.00 0.00 177.39 170.25 2hgl n PRO 19 N 2.04 1.19 0.00 1.47 -0.02 -1.26 -3.98 135.00 134.44 2hgl n PRO 19 Ca -0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2hgl n PRO 19 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.01 0.00 -2.04 6.00 2.14 -1.26 -1.70 117.44 119.57 2hgl n TRP 20 Ca 0.11 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.68 2hgl n TRP 20 Cb 0.43 -0.04 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 0.43 2.07 0.00 0.00 177.69 180.19 2hgl n SER 21 N 0.03 0.06 -4.65 -0.67 7.64 -1.26 -3.72 113.62 111.06 2hgl n SER 21 Ca 0.00 -1.81 -0.36 0.00 1.01 0.00 0.00 58.87 57.72 2hgl n SER 21 Cb 0.09 -0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.63 0.03 0.48 0.00 1.04 -1.26 -4.99 113.70 107.37 2hgl s SER 23 Ca 0.75 -1.15 0.38 0.00 0.48 0.00 0.00 55.95 56.41 2hgl s SER 23 Cb -0.35 0.48 1.57 0.00 0.10 0.00 0.00 66.02 67.82 2hgl s SER 23 CO 0.48 -0.99 1.58 0.58 0.98 0.00 0.00 173.24 175.88 2hgl h VAL 24 N 2.44 0.02 -0.01 5.02 2.07 -1.97 -0.35 116.25 123.48 2hgl h VAL 24 Ca -0.31 -0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.00 2hgl h VAL 24 Cb 1.25 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2hgl h VAL 24 CO 0.44 0.00 -0.87 -0.33 0.02 0.00 0.00 177.57 176.84 2hgl h GLU 25 N 0.01 0.32 0.00 1.57 3.07 -1.96 -3.03 114.58 114.57 2hgl h GLU 25 Ca 0.89 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 59.31 2hgl h GLU 25 Cb 3.10 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 31.08 2hgl h GLU 25 CO -0.32 1.01 -0.54 0.22 -1.40 0.00 0.00 179.01 177.98 2hgl h ASP 26 N 0.19 0.00 0.74 1.42 3.58 -1.54 -1.21 116.42 119.60 2hgl h ASP 26 Ca -0.06 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.16 2hgl h ASP 26 Cb 1.48 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.50 2hgl h ASP 26 CO 0.14 0.54 -1.38 1.62 -2.88 0.00 0.00 179.24 177.28 2hgl h VAL 27 N 0.00 1.00 0.00 2.25 3.04 -1.16 -0.27 116.25 121.10 2hgl h VAL 27 Ca -0.01 -2.71 -0.21 0.00 -1.01 0.00 0.00 66.70 62.76 2hgl h VAL 27 Cb 1.06 2.45 -0.03 0.00 -2.01 0.00 0.00 31.29 32.76 2hgl h VAL 27 CO 0.07 0.57 -1.17 1.56 -1.01 0.00 0.00 177.57 177.59 2hgl h GLN 28 N 0.00 0.00 -0.26 4.17 4.20 -1.60 -2.35 115.11 119.27 2hgl h GLN 28 Ca -0.17 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 2hgl h GLN 28 Cb 1.82 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.60 2hgl h GLN 28 CO 0.08 0.67 -0.28 -0.91 -0.67 0.00 0.00 178.83 177.72 2hgl h ASN 29 N 0.00 0.70 -0.52 1.46 2.35 -1.22 -1.81 115.58 116.55 2hgl h ASN 29 Ca -0.11 -0.48 0.01 0.00 -0.55 0.00 0.00 56.30 55.17 2hgl h ASN 29 Cb 1.74 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.89 2hgl h ASN 29 CO 0.09 1.04 0.34 0.15 -1.65 0.00 0.00 177.43 177.41 2hgl h PHE 30 N 0.38 0.64 -1.63 1.19 3.57 -1.07 -3.05 116.94 116.97 2hgl h PHE 30 Ca 0.04 0.02 -0.62 0.00 3.53 0.00 0.00 57.97 60.93 2hgl h PHE 30 Cb 0.85 -0.22 -0.39 0.00 2.79 0.00 0.00 35.95 38.98 2hgl h PHE 30 CO 0.08 0.40 -0.39 1.28 -2.23 0.00 0.00 178.31 177.44 2hgl n LEU 31 N -4.46 5.23 -0.04 0.59 4.77 -0.89 -4.73 117.00 117.47 2hgl n LEU 31 Ca 0.05 -5.17 0.24 0.00 -0.03 0.00 0.00 56.01 51.11 2hgl n LEU 31 Cb 0.06 -0.58 0.68 0.00 -2.33 0.00 0.00 43.42 41.26 2hgl n LEU 31 CO 0.35 2.16 1.22 0.77 -1.33 0.00 0.00 177.39 180.56 2hgl h SER 32 N 2.68 0.00 1.13 -1.43 4.64 -1.21 -1.26 113.55 118.09 2hgl h SER 32 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2hgl h SER 32 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2hgl h SER 32 CO 0.96 0.00 -0.02 0.44 -0.87 0.00 0.00 176.83 177.34 2hgl h ASP 33 N 0.00 0.00 -4.64 4.97 5.19 -1.86 -3.49 116.42 116.60 2hgl h ASP 33 Ca 0.31 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.41 2hgl h ASP 33 Cb 1.64 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.95 2hgl h ASP 33 CO -0.00 0.02 -0.75 0.00 -3.12 0.00 0.00 179.24 175.39 2hgl s THR 35 N -1.55 5.12 0.34 0.00 2.01 -1.26 -5.02 115.64 115.28 2hgl s THR 35 Ca -0.05 0.74 -0.10 0.00 0.31 0.00 0.00 61.69 62.59 2hgl s THR 35 Cb -0.09 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 2hgl s THR 35 CO 0.01 0.12 0.69 -0.63 -0.69 0.00 0.00 174.62 174.11 2hgl s ILE 36 N 2.19 4.84 -2.00 1.82 1.09 -1.26 -0.61 121.20 127.26 2hgl s ILE 36 Ca 0.18 0.54 0.02 0.00 -1.10 0.00 0.00 60.65 60.30 2hgl s ILE 36 Cb -0.16 -3.69 0.06 0.00 -1.06 0.00 0.00 42.46 37.61 2hgl s ILE 36 CO 0.09 -0.36 0.41 1.57 -0.10 0.00 0.00 174.94 176.56 2hgl n HIS 37 N -0.89 0.00 0.13 3.97 -0.00 -1.24 -3.98 115.22 113.21 2hgl n HIS 37 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2hgl n HIS 37 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -0.67 -2.32 0.00 0.26 2.03 -1.26 -4.81 116.55 109.78 2hgl n ASP 38 Ca 0.02 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2hgl n ASP 38 Cb 0.01 2.35 0.00 0.00 -0.72 0.00 0.00 41.12 42.76 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 -1.41 4.12 0.00 0.27 0.00 -1.26 -4.88 105.19 102.04 2hgl n GLY 39 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.52 1.39 4.61 0.00 -1.26 -4.74 120.51 122.02 2hgl n ALA 40 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2hgl n ALA 40 Cb 0.00 0.11 0.64 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.30 2.32 0.15 0.00 0.00 -1.26 -2.10 120.51 118.32 2hgl n ALA 41 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2hgl n ALA 41 Cb 0.22 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 0.38 0.25 3.86 0.00 0.00 -1.25 -0.58 105.19 107.86 2hgl n GLY 42 Ca 0.16 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.79 4.80 0.03 1.61 -7.23 -0.89 -0.09 120.40 116.83 2hgl s VAL 43 Ca 0.00 0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 2hgl s VAL 43 Cb 0.04 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.35 2hgl s VAL 43 CO 0.21 -0.08 0.22 -1.00 -0.31 0.00 0.00 175.10 174.14 2hgl s HIS 44 N -1.85 -0.01 0.05 2.82 0.09 0.65 -4.97 115.29 112.07 2hgl s HIS 44 Ca 0.49 -0.14 0.06 0.00 -0.00 0.00 0.00 55.06 55.47 2hgl s HIS 44 Cb -0.11 0.01 -0.02 0.00 -0.00 0.00 0.00 32.58 32.45 2hgl s HIS 44 CO 0.19 -0.42 -0.17 -0.06 -0.00 0.00 0.00 174.74 174.28 2hgl s PHE 45 N -2.24 1.48 -0.05 1.40 0.40 -1.26 -1.20 117.98 116.51 2hgl s PHE 45 Ca -0.07 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 2hgl s PHE 45 Cb -0.02 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 2hgl s PHE 45 CO -0.02 0.07 0.10 0.42 0.70 0.00 0.00 175.22 176.49 2hgl s ILE 46 N -0.87 4.99 -0.07 0.64 -1.09 -0.36 -4.94 121.20 119.49 2hgl s ILE 46 Ca 0.04 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 2hgl s ILE 46 Cb -0.08 -3.24 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2hgl s ILE 46 CO 0.02 0.45 0.02 -0.31 -1.23 0.00 0.00 174.94 173.88 2hgl s TYR 47 N -1.13 0.55 1.01 3.97 2.02 -1.26 -1.04 117.35 121.47 2hgl s TYR 47 Ca 0.20 -0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.68 2hgl s TYR 47 Cb -0.12 -0.74 0.20 0.00 -0.40 0.00 0.00 41.96 40.89 2hgl s TYR 47 CO 0.11 -0.31 1.08 0.95 -1.57 0.00 0.00 175.55 175.80 2hgl s THR 48 N 2.01 2.24 -1.56 -0.71 -4.23 0.12 -4.86 115.64 108.66 2hgl s THR 48 Ca 0.05 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 2hgl s THR 48 Cb -0.12 -2.31 0.21 0.00 1.34 0.00 0.00 72.50 71.61 2hgl s THR 48 CO -0.05 -0.10 1.18 0.54 -0.54 0.00 0.00 174.62 175.65 2hgl n ARG 49 N -4.39 0.19 0.00 3.99 5.12 -1.26 -1.80 116.66 118.51 2hgl n ARG 49 Ca 0.06 0.15 0.01 0.00 -1.93 0.00 0.00 57.85 56.13 2hgl n ARG 49 Cb 0.54 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2hgl n GLU 50 N -1.22 3.23 0.00 5.56 0.00 -1.26 -5.07 120.64 121.89 2hgl n GLU 50 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 57.16 56.96 2hgl n GLU 50 Cb 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 31.44 30.75 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 0.59 0.64 3.20 -1.84 0.00 -0.75 -5.16 105.19 101.87 2hgl n GLY 51 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.79 0.56 0.11 1.61 3.52 -1.26 -4.95 118.95 117.76 2hgl s ARG 52 Ca 0.00 -0.09 -0.33 0.00 -0.13 0.00 0.00 55.73 55.18 2hgl s ARG 52 Cb 0.00 0.25 -0.12 0.00 -1.56 0.00 0.00 34.95 33.52 2hgl s ARG 52 CO 0.00 -0.14 1.73 1.04 -0.81 0.00 0.00 175.30 177.12 2hgl n GLN 53 N 1.69 2.44 -0.03 5.12 3.00 -1.24 -0.70 117.38 127.66 2hgl n GLN 53 Ca -0.20 0.89 0.02 0.00 -0.01 0.00 0.00 57.00 57.70 2hgl n GLN 53 Cb 0.56 -2.72 0.07 0.00 0.00 0.00 0.00 30.24 28.15 2hgl n GLN 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2hgl n SER 54 N 4.71 0.34 -3.55 1.08 2.88 -0.21 -4.41 113.62 114.46 2hgl n SER 54 Ca 0.18 -1.96 -0.26 0.00 -1.33 0.00 0.00 58.87 55.50 2hgl n SER 54 Cb 0.32 -0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 2hgl n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgl n GLY 55 N 0.62 -0.50 3.01 0.46 0.00 -1.26 -4.91 105.19 102.63 2hgl n GLY 55 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.23 0.28 0.25 1.61 2.02 -1.26 -0.48 118.70 114.89 2hgl s GLU 56 Ca 0.50 -0.26 -0.22 0.00 0.02 0.00 0.00 54.97 55.02 2hgl s GLU 56 Cb -0.25 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.12 2hgl s GLU 56 CO 0.62 -0.06 0.75 0.00 0.02 0.00 0.00 175.26 176.59 2hgl s ALA 57 N -0.85 -1.32 -0.08 5.21 0.00 -0.20 -1.23 121.76 123.29 2hgl s ALA 57 Ca -0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 2hgl s ALA 57 Cb -0.06 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.90 2hgl s ALA 57 CO 0.00 -1.02 0.20 -0.06 0.00 0.00 0.00 175.76 174.89 2hgl s PHE 58 N -3.80 -0.24 -0.28 0.00 0.40 -0.34 -0.07 117.98 113.66 2hgl s PHE 58 Ca 0.10 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 56.98 2hgl s PHE 58 Cb -0.05 0.05 0.10 0.00 0.51 0.00 0.00 43.02 43.63 2hgl s PHE 58 CO 0.05 -0.14 0.14 0.08 0.70 0.00 0.00 175.22 176.05 2hgl s VAL 59 N 0.44 -0.10 -0.68 -0.44 1.01 0.90 -0.25 120.40 121.28 2hgl s VAL 59 Ca -0.03 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2hgl s VAL 59 Cb -0.04 -0.93 -0.12 0.00 0.00 0.00 0.00 36.38 35.29 2hgl s VAL 59 CO -0.02 -0.66 2.42 1.21 0.00 0.00 0.00 175.10 178.05 2hgl n GLU 60 N 5.26 0.73 -0.76 2.72 0.00 0.87 -0.42 120.64 129.04 2hgl n GLU 60 Ca -0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 57.16 56.32 2hgl n GLU 60 Cb 0.43 -3.51 0.25 0.00 0.00 0.00 0.00 31.44 28.61 2hgl n GLU 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2hgl s LEU 61 N 13.46 0.13 0.00 4.31 1.43 0.49 -3.62 118.68 134.87 2hgl s LEU 61 Ca 0.97 0.89 0.25 0.00 -1.03 0.00 0.00 54.13 55.21 2hgl s LEU 61 Cb -0.18 -2.58 0.50 0.00 0.03 0.00 0.00 46.19 43.96 2hgl s LEU 61 CO 0.17 -4.50 1.43 0.61 0.23 0.00 0.00 176.35 174.28 2hgl n GLY 62 N 0.13 0.47 3.84 -3.19 0.00 0.21 -3.63 105.19 103.03 2hgl n GLY 62 Ca 0.11 -0.59 -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 -2.07 -0.03 0.00 1.61 1.04 -1.26 -4.78 113.70 108.21 2hgl s SER 63 Ca 0.30 -0.80 0.27 0.00 0.48 0.00 0.00 55.95 56.20 2hgl s SER 63 Cb 0.20 0.63 0.80 0.00 0.10 0.00 0.00 66.02 67.75 2hgl s SER 63 CO 0.35 -1.24 1.62 1.21 0.98 0.00 0.00 173.24 176.16 2hgl n GLU 64 N -0.61 0.05 0.09 4.02 2.13 -1.26 -1.31 120.64 123.76 2hgl n GLU 64 Ca -0.05 -0.02 -0.06 0.00 0.66 0.00 0.00 57.16 57.69 2hgl n GLU 64 Cb 0.60 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.84 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 0.05 0.14 -0.23 4.31 3.32 -1.98 -2.29 116.42 119.74 2hgl h ASP 65 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2hgl h ASP 65 Cb 0.49 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2hgl h ASP 65 CO 0.00 0.89 0.15 0.44 -1.72 0.00 0.00 179.24 179.00 2hgl h ASP 66 N 0.06 0.26 -0.36 6.45 3.32 -1.82 -0.67 116.42 123.67 2hgl h ASP 66 Ca -0.02 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2hgl h ASP 66 Cb 1.42 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 2hgl h ASP 66 CO 0.12 0.19 0.00 -0.37 -1.72 0.00 0.00 179.24 177.46 2hgl h VAL 67 N 0.31 0.74 -0.68 -1.35 -1.51 -1.16 -1.09 116.25 111.50 2hgl h VAL 67 Ca 0.08 -0.03 0.10 0.00 -1.23 0.00 0.00 66.70 65.62 2hgl h VAL 67 Cb -0.03 0.63 -0.08 0.00 -2.13 0.00 0.00 31.29 29.68 2hgl h VAL 67 CO -0.02 0.02 0.29 0.11 -1.23 0.00 0.00 177.57 176.74 2hgl h LYS 68 N 0.10 0.47 0.00 5.19 1.57 -1.38 0.18 116.57 122.69 2hgl h LYS 68 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2hgl h LYS 68 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2hgl h LYS 68 CO -0.29 0.31 0.00 0.52 -0.57 0.00 0.00 179.45 179.42 2hgl h MET 69 N 0.49 0.00 0.03 3.15 2.86 -0.14 -1.16 114.93 120.16 2hgl h MET 69 Ca 0.35 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.68 2hgl h MET 69 Cb 0.43 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2hgl h MET 69 CO -0.31 0.00 -1.70 0.00 1.06 0.00 0.00 176.91 175.96 2hgl h ALA 70 N 2.01 0.65 -0.15 6.32 0.00 -0.19 -3.38 119.26 124.52 2hgl h ALA 70 Ca 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 54.91 53.44 2hgl h ALA 70 Cb 0.26 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2hgl h ALA 70 CO 0.00 1.48 -0.27 -0.07 0.00 0.00 0.00 179.25 180.39 2hgl h LEU 71 N 0.02 0.28 -2.70 0.00 3.38 0.05 -2.47 115.31 113.87 2hgl h LEU 71 Ca -0.29 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2hgl h LEU 71 Cb 2.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 2hgl h LEU 71 CO 0.09 0.55 -0.01 0.07 0.09 0.00 0.00 178.44 179.24 2hgl h LYS 72 N 0.25 0.00 -0.02 1.13 2.10 -1.41 -1.99 116.57 116.64 2hgl h LYS 72 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2hgl h LYS 72 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2hgl h LYS 72 CO 0.04 0.01 -0.00 1.63 -2.00 0.00 0.00 179.45 179.13 2hgl n LYS 73 N -3.28 1.67 0.00 0.07 4.76 -0.93 -4.83 118.16 115.62 2hgl n LYS 73 Ca -0.03 -0.98 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 2hgl n LYS 73 Cb 0.10 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 0.19 0.06 -0.02 4.39 5.75 -0.75 -1.58 116.55 124.58 2hgl n ASP 74 Ca 0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2hgl n ASP 74 Cb 0.36 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.08 0.00 0.00 0.11 1.74 -1.19 -2.95 116.66 114.45 2hgl n ARG 75 Ca 0.00 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2hgl n ARG 75 Cb 0.02 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 2hgl n ARG 75 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hgl n GLU 76 N 0.00 3.04 -4.02 5.56 -0.00 -0.61 -4.73 120.64 119.87 2hgl n GLU 76 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 2hgl n GLU 76 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.82 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2hgl s SER 77 N -1.00 0.52 -0.17 -1.84 1.04 -1.26 -0.30 113.70 110.69 2hgl s SER 77 Ca 0.00 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 2hgl s SER 77 Cb 0.00 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.22 2hgl s SER 77 CO 0.00 -0.19 0.42 -0.32 0.98 0.00 0.00 173.24 174.13 2hgl s MET 78 N -1.23 0.42 1.87 4.02 1.75 -0.90 -4.92 119.30 120.32 2hgl s MET 78 Ca -0.10 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.10 2hgl s MET 78 Cb -0.08 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.62 2hgl s MET 78 CO -0.00 -0.14 0.00 0.41 -0.65 0.00 0.00 175.02 174.64 2hgl n GLY 79 N 3.99 -1.32 0.90 2.11 0.00 -1.26 -4.04 105.19 105.57 2hgl n GLY 79 Ca -0.21 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.11 0.00 -3.78 1.61 1.44 -1.26 -4.85 115.22 108.27 2hgl n HIS 80 Ca 0.00 -0.21 -0.10 0.00 -2.01 0.00 0.00 57.72 55.40 2hgl n HIS 80 Cb 0.00 -0.15 -0.05 0.00 0.12 0.00 0.00 29.99 29.91 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2hgl s ARG 81 N 0.19 1.26 0.20 -1.40 1.81 -1.26 -5.08 118.95 114.67 2hgl s ARG 81 Ca 0.00 -0.92 0.10 0.00 -1.72 0.00 0.00 55.73 53.20 2hgl s ARG 81 Cb 0.00 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.93 2hgl s ARG 81 CO 0.00 -0.51 -0.17 0.71 -0.68 0.00 0.00 175.30 174.66 2hgl s TYR 82 N -3.88 2.45 -0.39 -0.53 1.51 -1.26 -2.11 117.35 113.14 2hgl s TYR 82 Ca 0.10 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2hgl s TYR 82 Cb 0.01 -1.18 0.14 0.00 -0.11 0.00 0.00 41.96 40.82 2hgl s TYR 82 CO -0.04 0.54 0.23 0.42 -1.11 0.00 0.00 175.55 175.60 2hgl s ILE 83 N -1.83 0.56 0.24 2.71 -1.09 0.59 -0.94 121.20 121.45 2hgl s ILE 83 Ca 0.24 -2.08 -0.30 0.00 -2.23 0.00 0.00 60.65 56.28 2hgl s ILE 83 Cb -0.08 -1.41 -0.10 0.00 -1.58 0.00 0.00 42.46 39.29 2hgl s ILE 83 CO 0.13 -0.98 1.48 -0.70 -1.23 0.00 0.00 174.94 173.64 2hgl s GLU 84 N 0.74 4.24 -0.22 2.79 2.12 0.49 -3.16 118.70 125.69 2hgl s GLU 84 Ca 0.19 2.35 0.01 0.00 0.36 0.00 0.00 54.97 57.89 2hgl s GLU 84 Cb -0.21 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.11 2hgl s GLU 84 CO -0.01 -0.48 -0.13 0.08 -0.54 0.00 0.00 175.26 174.17 2hgl s VAL 85 N 0.17 2.34 0.11 3.70 1.01 -1.15 -0.84 120.40 125.73 2hgl s VAL 85 Ca 0.62 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2hgl s VAL 85 Cb -0.43 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2hgl s VAL 85 CO 0.42 0.28 0.16 -0.36 0.00 0.00 0.00 175.10 175.61 2hgl s PHE 86 N 1.25 3.32 0.11 5.22 0.40 0.29 -4.66 117.98 123.90 2hgl s PHE 86 Ca -0.00 0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.13 2hgl s PHE 86 Cb -0.16 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 2hgl s PHE 86 CO -0.08 0.54 0.97 0.21 0.70 0.00 0.00 175.22 177.56 2hgl s LYS 87 N -2.75 4.68 0.12 0.44 2.36 -1.26 -0.28 119.74 123.06 2hgl s LYS 87 Ca 0.32 1.47 0.00 0.00 -2.55 0.00 0.00 55.97 55.21 2hgl s LYS 87 Cb -0.12 -3.38 -0.04 0.00 -1.05 0.00 0.00 37.83 33.24 2hgl s LYS 87 CO 0.25 0.19 -0.00 0.45 1.55 0.00 0.00 175.35 177.78 2hgl s SER 88 N 0.06 0.81 0.29 1.43 0.15 0.00 -4.75 113.70 111.69 2hgl s SER 88 Ca 0.47 -1.12 0.02 0.00 0.70 0.00 0.00 55.95 56.03 2hgl s SER 88 Cb -0.24 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2hgl s SER 88 CO 0.30 -0.60 0.12 -1.00 1.20 0.00 0.00 173.24 173.27 2hgl s HIS 89 N -3.81 1.59 0.17 3.44 3.76 -1.26 -3.66 115.29 115.52 2hgl s HIS 89 Ca 0.18 -1.26 -0.15 0.00 -0.15 0.00 0.00 55.06 53.68 2hgl s HIS 89 Cb 0.07 -0.91 0.10 0.00 1.11 0.00 0.00 32.58 32.95 2hgl s HIS 89 CO -0.01 -0.41 1.74 0.00 -0.85 0.00 0.00 174.74 175.22 2hgl h ARG 90 N 2.27 0.28 -6.09 1.40 2.47 -1.89 -2.15 114.38 110.67 2hgl h ARG 90 Ca -0.36 -0.02 -0.56 0.00 -1.26 0.00 0.00 59.98 57.79 2hgl h ARG 90 Cb 1.25 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.46 2hgl h ARG 90 CO 0.57 0.18 0.09 0.99 0.56 0.00 0.00 179.97 182.37 2hgl s THR 91 N -6.15 4.97 -2.68 2.04 2.01 -1.26 -0.36 115.64 114.21 2hgl s THR 91 Ca -0.13 1.47 0.26 0.00 0.31 0.00 0.00 61.69 63.60 2hgl s THR 91 Cb 0.13 -4.05 0.42 0.00 0.01 0.00 0.00 72.50 69.01 2hgl s THR 91 CO 0.72 0.29 1.56 -1.84 -0.69 0.00 0.00 174.62 174.66 2hgl n GLU 92 N 3.49 1.91 -0.36 4.92 -0.00 -1.05 -4.94 120.64 124.63 2hgl n GLU 92 Ca -0.02 -1.33 0.02 0.00 -0.00 0.00 0.00 57.16 55.83 2hgl n GLU 92 Cb 0.51 -1.47 0.18 0.00 -0.00 0.00 0.00 31.44 30.66 2hgl n GLU 92 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2hgl h MET 93 N 3.23 1.15 -0.48 3.44 4.05 -1.02 -3.07 114.93 122.22 2hgl h MET 93 Ca 0.00 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 2hgl h MET 93 Cb 0.69 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 2hgl h MET 93 CO 0.00 0.76 0.07 0.22 0.23 0.00 0.00 176.91 178.19 2hgl h ASP 94 N 1.18 0.72 0.51 1.39 3.58 -0.95 -2.20 116.42 120.66 2hgl h ASP 94 Ca 0.42 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2hgl h ASP 94 Cb 0.12 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2hgl h ASP 94 CO -0.15 0.75 -0.35 -0.25 -2.88 0.00 0.00 179.24 176.35 2hgl h TRP 95 N 0.73 -0.94 0.00 0.28 -0.00 -1.80 -3.21 115.95 111.01 2hgl h TRP 95 Ca 0.15 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.98 2hgl h TRP 95 Cb 0.35 0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.85 2hgl h TRP 95 CO 0.02 -0.53 -0.27 -0.39 -0.00 0.00 0.00 178.44 177.27 2hgl h VAL 96 N -0.84 0.54 -0.04 2.65 -1.51 -1.37 -1.41 116.25 114.27 2hgl h VAL 96 Ca -0.06 -1.44 -0.23 0.00 -1.23 0.00 0.00 66.70 63.74 2hgl h VAL 96 Cb 0.70 2.02 0.01 0.00 -2.13 0.00 0.00 31.29 31.88 2hgl h VAL 96 CO 0.03 0.27 -0.91 -0.07 -1.23 0.00 0.00 177.57 175.66 2hgl h LEU 97 N 0.00 0.71 -0.04 4.19 4.07 -1.66 -3.38 115.31 119.20 2hgl h LEU 97 Ca -0.00 -0.53 -0.05 0.00 0.08 0.00 0.00 57.88 57.38 2hgl h LEU 97 Cb 0.99 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2hgl h LEU 97 CO 0.04 1.32 -0.17 0.11 -1.08 0.00 0.00 178.44 178.65 2hgl h LYS 98 N 0.34 0.19 -6.92 1.13 1.57 -1.38 -3.47 116.57 108.03 2hgl h LYS 98 Ca -0.08 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.31 2hgl h LYS 98 Cb 1.54 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2hgl h LYS 98 CO 0.17 0.79 -0.43 1.58 -0.57 0.00 0.00 179.45 180.99 2hgl n HIS 99 N -4.58 -0.62 -4.29 -1.35 -0.00 -0.60 -3.92 115.22 99.86 2hgl n HIS 99 Ca -0.08 0.09 -0.20 0.00 0.46 0.00 0.00 57.72 57.99 2hgl n HIS 99 Cb 0.42 -1.13 -0.13 0.00 -0.12 0.00 0.00 29.99 29.03 2hgl n HIS 99 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2hgl s SER 100 N -3.95 1.76 0.00 0.26 0.15 -1.26 -4.98 113.70 105.67 2hgl s SER 100 Ca 0.16 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2hgl s SER 100 Cb -0.09 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2hgl s SER 100 CO 0.40 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2hgl n GLY 101 N 1.61 -0.52 0.00 9.45 0.00 -1.25 -5.23 105.19 109.25 2hgl n GLY 101 Ca -0.19 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 44.98 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77