#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n ALA 4 N 0.00 0.00 -0.95 2.41 0.00 -1.26 -5.02 120.51 115.69 2hgq n ALA 4 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2hgq n ALA 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2hgq n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2hgq n TYR 5 N -0.71 1.55 0.00 0.00 0.18 -1.26 -4.85 117.16 112.08 2hgq n TYR 5 Ca 0.00 -2.26 0.00 0.00 1.88 0.00 0.00 57.90 57.52 2hgq n TYR 5 Cb 0.00 -1.92 0.00 0.00 -0.38 0.00 0.00 39.34 37.04 2hgq n TYR 5 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2hgq n ASP 6 N 3.75 0.00 -4.39 9.48 5.75 -1.26 -4.59 116.55 125.28 2hgq n ASP 6 Ca 0.55 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.91 2hgq n ASP 6 Cb 0.25 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2hgq n ASP 6 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2hgq n VAL 7 N 0.00 1.38 -2.61 2.12 3.14 -1.26 -4.90 118.33 116.20 2hgq n VAL 7 Ca 0.00 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.87 2hgq n VAL 7 Cb 0.00 -0.29 0.09 0.00 -1.06 0.00 0.00 33.84 32.58 2hgq n VAL 7 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2hgq n ILE 8 N -0.79 0.00 -3.83 1.55 -5.35 -1.26 -5.06 119.36 104.62 2hgq n ILE 8 Ca 0.12 -0.69 -0.06 0.00 -0.27 0.00 0.00 62.75 61.84 2hgq n ILE 8 Cb 0.38 0.85 0.01 0.00 -1.74 0.00 0.00 39.64 39.14 2hgq n ILE 8 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2hgq s LEU 9 N -2.87 -0.05 -0.24 7.28 0.05 -1.26 -0.74 118.68 120.85 2hgq s LEU 9 Ca 0.06 -0.88 -0.04 0.00 0.05 0.00 0.00 54.13 53.32 2hgq s LEU 9 Cb 0.31 2.57 0.13 0.00 -2.05 0.00 0.00 46.19 47.15 2hgq s LEU 9 CO -0.09 -1.38 0.43 0.00 -0.55 0.00 0.00 176.35 174.76 2hgq s ALA 10 N -2.59 -1.32 0.70 1.48 0.00 0.05 -4.98 121.76 115.10 2hgq s ALA 10 Ca 0.16 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 2hgq s ALA 10 Cb -0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.34 2hgq s ALA 10 CO 0.08 -1.10 0.04 -2.30 0.00 0.00 0.00 175.76 172.48 2hgq n PRO 11 N 5.39 0.14 -2.79 0.00 -0.02 -1.26 -0.70 135.00 135.76 2hgq n PRO 11 Ca -0.05 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 2hgq n PRO 11 Cb 0.50 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 2hgq n PRO 11 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hgq s VAL 12 N -1.96 4.43 -2.00 -1.45 1.01 -0.22 -4.34 120.40 115.87 2hgq s VAL 12 Ca 0.57 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2hgq s VAL 12 Cb -0.37 -4.89 0.16 0.00 0.00 0.00 0.00 36.38 31.28 2hgq s VAL 12 CO 0.66 -1.68 0.80 0.18 0.00 0.00 0.00 175.10 175.06 2hgq n LEU 13 N 7.42 0.00 -4.72 3.92 4.77 -1.26 -4.76 117.00 122.36 2hgq n LEU 13 Ca 0.28 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 2hgq n LEU 13 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2hgq n LEU 13 CO 0.57 0.00 1.25 -0.94 -1.33 0.00 0.00 177.39 176.94 2hgq s SER 14 N -2.00 6.54 0.00 -1.43 1.04 -1.26 -4.96 113.70 111.63 2hgq s SER 14 Ca 0.08 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.20 2hgq s SER 14 Cb 0.04 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2hgq s SER 14 CO 0.06 -0.85 0.37 1.21 0.98 0.00 0.00 173.24 175.01 2hgq n GLU 15 N 3.78 0.00 -0.29 4.02 4.07 -1.26 -2.14 120.64 128.82 2hgq n GLU 15 Ca 0.14 0.29 0.21 0.00 -0.06 0.00 0.00 57.16 57.74 2hgq n GLU 15 Cb 0.38 -0.87 0.40 0.00 -0.06 0.00 0.00 31.44 31.29 2hgq n GLU 15 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hgq n LYS 16 N -0.66 -0.06 0.28 5.31 4.01 -1.26 0.46 118.16 126.24 2hgq n LYS 16 Ca 0.00 1.23 0.19 0.00 -0.51 0.00 0.00 58.31 59.22 2hgq n LYS 16 Cb 0.00 -2.10 0.96 0.00 -0.51 0.00 0.00 35.03 33.38 2hgq n LYS 16 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgq h ALA 17 N 1.72 1.00 0.13 7.82 0.00 -1.79 -3.22 119.26 124.93 2hgq h ALA 17 Ca 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 2hgq h ALA 17 Cb 1.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2hgq h ALA 17 CO -0.73 0.00 -0.23 1.88 0.00 0.00 0.00 179.25 180.18 2hgq h TYR 18 N 0.00 -0.65 -0.79 0.00 -1.99 1.05 -2.99 116.97 111.61 2hgq h TYR 18 Ca 0.00 0.01 0.29 0.00 2.00 0.00 0.00 58.73 61.03 2hgq h TYR 18 Cb 0.07 0.26 -0.14 0.00 2.00 0.00 0.00 36.73 38.93 2hgq h TYR 18 CO 0.00 -0.28 0.27 0.00 -0.00 0.00 0.00 178.16 178.15 2hgq n ALA 19 N -2.58 0.66 -0.05 3.88 0.00 -1.22 0.82 120.51 122.02 2hgq n ALA 19 Ca -0.04 0.82 -0.10 0.00 0.00 0.00 0.00 53.44 54.11 2hgq n ALA 19 Cb 0.19 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2hgq n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgq h GLY 20 N 0.00 0.30 0.22 0.00 0.00 -1.75 0.17 103.07 102.02 2hgq h GLY 20 Ca 0.60 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.88 2hgq h GLY 20 CO -0.66 0.14 0.03 0.74 0.00 0.00 0.00 176.54 176.79 2hgq h PHE 21 N 0.20 0.02 -0.69 5.60 0.05 0.23 0.11 116.94 122.47 2hgq h PHE 21 Ca 0.07 0.03 0.12 0.00 3.82 0.00 0.00 57.97 62.02 2hgq h PHE 21 Cb 0.10 0.07 -0.13 0.00 2.00 0.00 0.00 35.95 37.99 2hgq h PHE 21 CO -0.03 -0.08 -0.31 0.00 -0.18 0.00 0.00 178.31 177.70 2hgq h ALA 22 N 1.43 0.11 -0.00 2.45 0.00 0.93 -3.33 119.26 120.84 2hgq h ALA 22 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2hgq h ALA 22 Cb 0.37 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hgq h ALA 22 CO -0.39 -0.61 -0.02 -0.85 0.00 0.00 0.00 179.25 177.37 2hgq n GLU 23 N -5.45 3.39 0.00 0.00 -0.00 -0.37 -5.01 120.64 113.20 2hgq n GLU 23 Ca 0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2hgq n GLU 23 Cb 0.37 -0.75 0.00 0.00 -0.00 0.00 0.00 31.44 31.06 2hgq n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgq n GLY 24 N 0.60 0.00 3.62 -1.84 0.00 -0.21 -4.94 105.19 102.41 2hgq n GLY 24 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2hgq n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 25 N 0.00 1.97 -0.11 1.61 1.02 -0.14 -1.06 119.74 123.03 2hgq s LYS 25 Ca 0.00 -2.03 -0.11 0.00 0.02 0.00 0.00 55.97 53.85 2hgq s LYS 25 Cb 0.00 -1.71 0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2hgq s LYS 25 CO 0.00 -0.01 0.31 0.71 -0.92 0.00 0.00 175.35 175.44 2hgq s TYR 26 N -2.67 -0.32 -0.06 3.18 1.51 0.01 -0.90 117.35 118.10 2hgq s TYR 26 Ca 0.35 0.77 0.03 0.00 -1.01 0.00 0.00 57.07 57.22 2hgq s TYR 26 Cb 0.07 0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 42.01 2hgq s TYR 26 CO 0.18 -0.18 -0.16 0.95 -1.11 0.00 0.00 175.55 175.23 2hgq s THR 27 N 0.02 2.90 0.31 -0.71 -4.23 -1.26 -0.99 115.64 111.67 2hgq s THR 27 Ca -0.01 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.67 2hgq s THR 27 Cb -0.03 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2hgq s THR 27 CO 0.01 0.58 0.47 -0.36 -0.54 0.00 0.00 174.62 174.77 2hgq s PHE 28 N -0.47 0.84 -0.14 3.99 0.08 -0.09 -1.05 117.98 121.15 2hgq s PHE 28 Ca 0.06 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 55.91 2hgq s PHE 28 Cb -0.12 -0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 2hgq s PHE 28 CO 0.02 -1.09 0.11 -1.58 -0.10 0.00 0.00 175.22 172.58 2hgq s TRP 29 N -3.34 3.46 0.03 0.36 0.52 0.13 -0.82 118.94 119.27 2hgq s TRP 29 Ca 0.28 0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.80 2hgq s TRP 29 Cb -0.00 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2hgq s TRP 29 CO 0.16 0.54 -0.05 0.14 0.02 0.00 0.00 176.95 177.77 2hgq s VAL 30 N -0.57 0.26 -0.74 4.03 -7.23 0.18 -0.77 120.40 115.56 2hgq s VAL 30 Ca 0.12 -0.91 -0.32 0.00 -1.81 0.00 0.00 61.98 59.06 2hgq s VAL 30 Cb -0.12 -0.37 -0.19 0.00 0.56 0.00 0.00 36.38 36.26 2hgq s VAL 30 CO 0.02 -0.42 2.23 1.57 -0.31 0.00 0.00 175.10 178.19 2hgq n HIS 31 N 1.65 0.69 -1.53 2.82 -0.00 0.08 -4.24 115.22 114.68 2hgq n HIS 31 Ca -0.23 0.46 -0.23 0.00 0.46 0.00 0.00 57.72 58.18 2hgq n HIS 31 Cb 0.55 -2.10 -0.13 0.00 -0.12 0.00 0.00 29.99 28.19 2hgq n HIS 31 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2hgq n PRO 32 N 7.27 0.36 0.00 1.57 -0.02 -1.26 -1.14 135.00 141.78 2hgq n PRO 32 Ca 0.55 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2hgq n PRO 32 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 2hgq n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2hgq n LYS 33 N 7.66 0.00 -1.54 -0.52 4.81 -1.26 -5.09 118.16 122.22 2hgq n LYS 33 Ca 0.55 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 57.49 2hgq n LYS 33 Cb 0.29 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.30 2hgq n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgq n ALA 34 N 0.00 -1.63 -0.86 3.14 0.00 -0.30 -4.89 120.51 115.98 2hgq n ALA 34 Ca 0.00 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 2hgq n ALA 34 Cb 0.00 -1.92 0.15 0.00 0.00 0.00 0.00 19.45 17.68 2hgq n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hgq s THR 35 N -0.28 2.23 0.18 0.00 2.01 -1.26 -4.75 115.64 113.77 2hgq s THR 35 Ca 0.75 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.73 2hgq s THR 35 Cb -0.94 -2.24 0.07 0.00 0.01 0.00 0.00 72.50 69.40 2hgq s THR 35 CO 0.54 -0.09 1.67 0.50 -0.69 0.00 0.00 174.62 176.54 2hgq h LYS 36 N -1.55 1.04 0.00 4.92 1.63 -1.96 0.31 116.57 120.96 2hgq h LYS 36 Ca -0.44 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.06 2hgq h LYS 36 Cb 1.27 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2hgq h LYS 36 CO 0.44 0.98 -0.07 1.79 -3.45 0.00 0.00 179.45 179.14 2hgq h THR 37 N 0.95 0.58 -0.50 1.00 1.35 -1.96 0.26 112.91 114.58 2hgq h THR 37 Ca 0.19 -0.29 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 2hgq h THR 37 Cb 0.45 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 2hgq h THR 37 CO 0.02 0.07 0.17 -0.08 -0.25 0.00 0.00 175.52 175.44 2hgq h GLU 38 N 0.00 0.78 0.21 4.72 4.57 -0.81 -0.90 114.58 123.15 2hgq h GLU 38 Ca -0.00 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2hgq h GLU 38 Cb 0.18 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2hgq h GLU 38 CO 0.01 0.72 -0.31 0.82 -1.18 0.00 0.00 179.01 179.07 2hgq h ILE 39 N 0.68 0.35 -0.60 2.32 2.04 0.16 -0.54 117.51 121.92 2hgq h ILE 39 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 2hgq h ILE 39 Cb 0.26 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 2hgq h ILE 39 CO -0.01 0.00 -0.04 0.11 0.00 0.00 0.00 178.15 178.22 2hgq h LYS 40 N -0.59 0.08 0.27 2.37 1.57 -0.61 0.25 116.57 119.92 2hgq h LYS 40 Ca 0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2hgq h LYS 40 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2hgq h LYS 40 CO -0.12 0.05 -0.13 -0.91 -0.57 0.00 0.00 179.45 177.77 2hgq h ASN 41 N 0.08 -0.31 -0.52 0.86 4.21 -0.98 0.32 115.58 119.25 2hgq h ASN 41 Ca 0.30 -0.21 0.09 0.00 1.21 0.00 0.00 56.30 57.69 2hgq h ASN 41 Cb 0.49 0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.69 2hgq h ASN 41 CO -0.54 0.09 0.08 0.00 -1.29 0.00 0.00 177.43 175.78 2hgq h ALA 42 N -0.20 0.57 -0.44 -0.83 0.00 -1.04 -0.90 119.26 116.41 2hgq h ALA 42 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hgq h ALA 42 Cb 0.50 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2hgq h ALA 42 CO 0.06 -0.32 0.00 0.28 0.00 0.00 0.00 179.25 179.27 2hgq n VAL 43 N -5.14 0.00 -0.01 0.00 0.31 0.07 -0.87 118.33 112.69 2hgq n VAL 43 Ca 0.06 1.43 -0.07 0.00 -0.01 0.00 0.00 64.34 65.75 2hgq n VAL 43 Cb 0.26 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.02 2hgq n VAL 43 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hgq h GLU 44 N 0.00 -0.24 -0.00 5.55 5.08 -0.56 -0.41 114.58 123.99 2hgq h GLU 44 Ca 0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2hgq h GLU 44 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2hgq h GLU 44 CO 0.00 -0.16 -0.45 1.79 -1.00 0.00 0.00 179.01 179.19 2hgq h THR 45 N -0.25 1.32 0.70 1.13 1.35 -1.24 -0.24 112.91 115.69 2hgq h THR 45 Ca 0.02 -1.53 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 2hgq h THR 45 Cb 0.30 1.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2hgq h THR 45 CO -0.20 0.44 -0.34 0.00 -0.25 0.00 0.00 175.52 175.17 2hgq h ALA 46 N 1.55 -0.95 -0.58 6.62 0.00 -0.83 -3.34 119.26 121.74 2hgq h ALA 46 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2hgq h ALA 46 Cb 0.79 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2hgq h ALA 46 CO 0.06 -0.91 0.00 0.34 0.00 0.00 0.00 179.25 178.74 2hgq n PHE 47 N -5.42 0.78 -2.99 0.00 7.35 -0.18 -5.01 117.46 112.00 2hgq n PHE 47 Ca -0.12 -0.47 -0.00 0.00 -0.76 0.00 0.00 57.45 56.09 2hgq n PHE 47 Cb 0.38 -0.01 -0.00 0.00 0.35 0.00 0.00 39.48 40.20 2hgq n PHE 47 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2hgq n LYS 48 N 1.28 -1.68 0.00 -4.13 4.01 -0.10 -4.80 118.16 112.74 2hgq n LYS 48 Ca 0.20 1.65 0.00 0.00 -0.51 0.00 0.00 58.31 59.65 2hgq n LYS 48 Cb 0.56 -2.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 2hgq n LYS 48 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2hgq n VAL 49 N 1.10 0.00 -2.84 -0.18 0.24 -1.23 -4.75 118.33 110.66 2hgq n VAL 49 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.27 2hgq n VAL 49 Cb 0.29 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.67 2hgq n VAL 49 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2hgq s LYS 50 N 4.13 0.76 -0.24 7.34 0.00 -1.26 -5.00 119.74 125.47 2hgq s LYS 50 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 55.97 54.98 2hgq s LYS 50 Cb 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 37.83 37.70 2hgq s LYS 50 CO 0.00 -0.98 1.91 0.28 0.00 0.00 0.00 175.35 176.56 2hgq n VAL 51 N 3.27 0.37 -4.09 1.79 0.31 -1.26 -3.31 118.33 115.41 2hgq n VAL 51 Ca 0.14 -0.13 -0.22 0.00 -0.01 0.00 0.00 64.34 64.13 2hgq n VAL 51 Cb 0.59 -1.56 -0.17 0.00 -0.91 0.00 0.00 33.84 31.79 2hgq n VAL 51 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgq s VAL 52 N 4.76 0.61 0.00 2.52 1.01 0.20 -4.95 120.40 124.54 2hgq s VAL 52 Ca 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2hgq s VAL 52 Cb -0.89 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2hgq s VAL 52 CO 0.57 0.26 0.01 0.29 0.00 0.00 0.00 175.10 176.23 2hgq n LYS 53 N 4.36 -3.59 -3.92 2.72 5.02 -1.26 0.17 118.16 121.66 2hgq n LYS 53 Ca -0.19 2.61 -0.30 0.00 -2.02 0.00 0.00 58.31 58.41 2hgq n LYS 53 Cb 0.51 -3.44 -0.16 0.00 -0.02 0.00 0.00 35.03 31.92 2hgq n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hgq s VAL 54 N -0.42 1.44 0.29 -0.18 1.01 -1.26 -1.24 120.40 120.05 2hgq s VAL 54 Ca -0.02 -1.18 0.11 0.00 0.00 0.00 0.00 61.98 60.90 2hgq s VAL 54 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2hgq s VAL 54 CO 0.04 -0.12 -0.14 0.20 0.00 0.00 0.00 175.10 175.09 2hgq s ASN 55 N 1.43 3.81 0.02 3.32 0.02 -0.00 -4.97 114.94 118.56 2hgq s ASN 55 Ca -0.05 -0.99 -0.05 0.00 -1.02 0.00 0.00 52.86 50.75 2hgq s ASN 55 Cb -0.19 -0.41 -0.01 0.00 0.02 0.00 0.00 41.25 40.66 2hgq s ASN 55 CO -0.07 -0.02 0.08 0.42 0.02 0.00 0.00 177.10 177.53 2hgq s THR 56 N -2.50 0.11 0.09 1.60 -4.23 -1.26 -0.87 115.64 108.58 2hgq s THR 56 Ca 0.31 -0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 2hgq s THR 56 Cb -0.04 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.29 2hgq s THR 56 CO 0.16 -0.48 0.22 -0.22 -0.54 0.00 0.00 174.62 173.76 2hgq s LEU 57 N -1.62 1.27 0.04 4.79 0.20 0.14 -4.98 118.68 118.51 2hgq s LEU 57 Ca -0.12 -0.59 -0.02 0.00 0.69 0.00 0.00 54.13 54.09 2hgq s LEU 57 Cb -0.06 1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 46.82 2hgq s LEU 57 CO -0.01 -0.74 0.02 -1.00 -0.29 0.00 0.00 176.35 174.33 2hgq s HIS 58 N -3.78 0.32 -0.19 5.38 3.76 -1.26 -0.61 115.29 118.91 2hgq s HIS 58 Ca 0.04 -0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 54.14 2hgq s HIS 58 Cb 0.04 -0.23 0.06 0.00 1.11 0.00 0.00 32.58 33.56 2hgq s HIS 58 CO -0.11 -0.31 0.48 0.54 -0.85 0.00 0.00 174.74 174.49 2hgq s VAL 59 N -2.60 -0.01 0.42 -0.90 0.11 -0.18 -4.94 120.40 112.30 2hgq s VAL 59 Ca -0.05 0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.12 2hgq s VAL 59 Cb -0.01 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2hgq s VAL 59 CO -0.05 0.02 0.48 0.00 -3.33 0.00 0.00 175.10 172.22 2hgq s ARG 60 N 1.01 2.66 0.10 1.54 1.70 -1.26 -0.69 118.95 124.02 2hgq s ARG 60 Ca -0.06 -1.41 -0.15 0.00 -0.47 0.00 0.00 55.73 53.64 2hgq s ARG 60 Cb -0.06 -2.55 -0.07 0.00 -0.57 0.00 0.00 34.95 31.70 2hgq s ARG 60 CO -0.09 -0.25 0.52 0.20 -1.08 0.00 0.00 175.30 174.60 2hgq s GLY 61 N -4.25 2.50 -0.14 3.88 0.00 -0.58 -4.93 107.32 103.80 2hgq s GLY 61 Ca 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 2hgq s GLY 61 CO 0.30 0.18 0.01 0.54 0.00 0.00 0.00 173.10 174.14 2hgq s LYS 62 N -1.65 0.79 0.00 2.90 -0.14 -1.04 -4.22 119.74 116.37 2hgq s LYS 62 Ca 0.33 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 2hgq s LYS 62 Cb -0.16 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 2hgq s LYS 62 CO 0.18 -0.48 0.00 1.63 -0.76 0.00 0.00 175.35 175.92 2hgq n LYS 63 N 5.05 0.00 -4.00 1.68 4.01 -1.26 -5.03 118.16 118.62 2hgq n LYS 63 Ca -0.09 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.40 2hgq n LYS 63 Cb 0.48 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.85 2hgq n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2hgq s LYS 64 N -0.90 1.45 -0.09 1.97 2.20 0.01 -4.98 119.74 119.40 2hgq s LYS 64 Ca 0.00 -1.77 -0.28 0.00 -0.36 0.00 0.00 55.97 53.55 2hgq s LYS 64 Cb 0.00 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2hgq s LYS 64 CO 0.00 -0.92 0.95 1.03 -0.36 0.00 0.00 175.35 176.05 2hgq s ARG 65 N 0.98 4.43 -0.63 4.03 0.52 -1.26 -0.96 118.95 126.06 2hgq s ARG 65 Ca 0.10 1.30 0.03 0.00 -0.52 0.00 0.00 55.73 56.64 2hgq s ARG 65 Cb -0.19 -3.52 0.15 0.00 0.52 0.00 0.00 34.95 31.91 2hgq s ARG 65 CO -0.09 -0.23 0.41 -0.48 0.02 0.00 0.00 175.30 174.92 2hgq s LEU 66 N 1.74 4.70 0.00 2.53 0.05 -0.10 -4.96 118.68 122.64 2hgq s LEU 66 Ca 0.47 -3.37 0.00 0.00 0.05 0.00 0.00 54.13 51.28 2hgq s LEU 66 Cb -0.18 -1.68 0.00 0.00 -2.05 0.00 0.00 46.19 42.27 2hgq s LEU 66 CO 0.19 -0.19 0.00 0.61 -0.55 0.00 0.00 176.35 176.41 2hgq n GLY 67 N 2.66 0.24 0.08 -3.48 0.00 -1.26 -0.68 105.19 102.74 2hgq n GLY 67 Ca 0.12 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.53 2hgq n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 68 N 0.00 3.36 -4.26 1.61 0.63 -1.26 -5.02 116.66 111.73 2hgq n ARG 68 Ca 0.00 -0.21 -0.18 0.00 -0.92 0.00 0.00 57.85 56.55 2hgq n ARG 68 Cb 0.00 -0.97 -0.08 0.00 0.45 0.00 0.00 32.46 31.86 2hgq n ARG 68 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2hgq s TYR 69 N -1.66 1.62 0.31 -0.14 1.51 0.15 -5.19 117.35 113.94 2hgq s TYR 69 Ca 0.05 -1.59 -0.05 0.00 -1.01 0.00 0.00 57.07 54.46 2hgq s TYR 69 Cb 0.07 -0.65 -0.00 0.00 -0.11 0.00 0.00 41.96 41.27 2hgq s TYR 69 CO 0.32 -0.85 0.46 -1.17 -1.11 0.00 0.00 175.55 173.20 2hgq s LEU 70 N -3.33 0.81 0.00 -1.29 0.20 -1.26 -0.92 118.68 112.89 2hgq s LEU 70 Ca 0.40 -1.32 0.00 0.00 0.69 0.00 0.00 54.13 53.89 2hgq s LEU 70 Cb 0.03 1.51 0.00 0.00 -0.43 0.00 0.00 46.19 47.30 2hgq s LEU 70 CO 0.25 -1.24 0.00 0.61 -0.29 0.00 0.00 176.35 175.68 2hgq n GLY 71 N -0.49 1.75 0.00 7.98 0.00 -0.13 -4.89 105.19 109.41 2hgq n GLY 71 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2hgq n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgq n LYS 72 N 0.00 0.00 0.00 1.61 5.02 -1.26 -0.81 118.16 122.72 2hgq n LYS 72 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2hgq n LYS 72 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2hgq n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgq n ARG 73 N 0.00 0.00 0.00 1.97 0.63 -1.26 -2.50 116.66 115.49 2hgq n ARG 73 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgq n ARG 73 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 2hgq n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2hgq n PRO 74 N -0.24 2.40 -4.10 -0.14 -0.04 -1.26 -4.47 135.00 127.16 2hgq n PRO 74 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2hgq n PRO 74 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2hgq n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hgq s ASP 75 N -0.53 3.58 -0.24 3.54 1.01 -1.26 -1.52 116.67 121.25 2hgq s ASP 75 Ca 0.00 -0.87 -0.07 0.00 0.71 0.00 0.00 52.55 52.32 2hgq s ASP 75 Cb 0.00 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 2hgq s ASP 75 CO 0.00 -0.06 0.07 -0.60 0.21 0.00 0.00 175.17 174.79 2hgq s ARG 76 N 1.24 3.70 -0.12 8.23 6.06 0.14 -4.89 118.95 133.31 2hgq s ARG 76 Ca 0.01 -0.46 -0.05 0.00 -2.50 0.00 0.00 55.73 52.73 2hgq s ARG 76 Cb -0.15 -3.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.53 2hgq s ARG 76 CO -0.10 -0.11 0.05 0.21 -2.50 0.00 0.00 175.30 172.85 2hgq s LYS 77 N 1.39 3.36 -0.07 5.12 2.20 -1.26 -1.01 119.74 129.47 2hgq s LYS 77 Ca 0.05 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 2hgq s LYS 77 Cb -0.15 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2hgq s LYS 77 CO 0.03 0.61 -0.13 0.21 -0.36 0.00 0.00 175.35 175.71 2hgq s LYS 78 N -0.59 2.70 -0.14 4.03 2.20 0.22 -0.65 119.74 127.51 2hgq s LYS 78 Ca 0.11 -0.68 -0.17 0.00 -0.36 0.00 0.00 55.97 54.87 2hgq s LYS 78 Cb -0.12 -2.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2hgq s LYS 78 CO 0.02 0.55 0.45 0.00 -0.36 0.00 0.00 175.35 176.01 2hgq s ALA 79 N -0.52 -1.11 -0.04 3.13 0.00 -0.00 -0.69 121.76 122.52 2hgq s ALA 79 Ca 0.07 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.20 2hgq s ALA 79 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2hgq s ALA 79 CO 0.02 -0.23 -0.19 0.42 0.00 0.00 0.00 175.76 175.77 2hgq s ILE 80 N -0.13 1.58 0.02 0.00 -1.09 -0.05 -0.91 121.20 120.61 2hgq s ILE 80 Ca -0.03 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 2hgq s ILE 80 Cb -0.03 -1.34 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 2hgq s ILE 80 CO 0.02 0.45 -0.08 0.54 -1.23 0.00 0.00 174.94 174.64 2hgq s VAL 81 N -0.13 0.57 0.26 2.92 0.11 -0.16 -0.82 120.40 123.14 2hgq s VAL 81 Ca -0.01 -0.63 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 2hgq s VAL 81 Cb -0.11 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2hgq s VAL 81 CO 0.02 -0.06 0.11 -1.58 -3.33 0.00 0.00 175.10 170.26 2hgq s GLN 82 N -0.76 2.65 0.78 1.54 0.74 0.46 -0.80 119.66 124.26 2hgq s GLN 82 Ca -0.02 -1.22 -0.06 0.00 0.05 0.00 0.00 55.36 54.11 2hgq s GLN 82 Cb -0.06 -2.39 0.14 0.00 1.10 0.00 0.00 33.01 31.80 2hgq s GLN 82 CO 0.00 0.38 1.08 0.14 -0.55 0.00 0.00 175.29 176.34 2hgq s VAL 83 N -2.22 2.13 -0.21 1.34 -7.23 -0.22 0.61 120.40 114.60 2hgq s VAL 83 Ca 0.32 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2hgq s VAL 83 Cb -0.07 -2.74 -0.14 0.00 0.56 0.00 0.00 36.38 33.99 2hgq s VAL 83 CO 0.23 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.86 2hgq n ALA 84 N -3.09 1.55 -0.05 1.32 0.00 -1.21 -4.54 120.51 114.49 2hgq n ALA 84 Ca 0.14 -0.92 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 2hgq n ALA 84 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2hgq n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hgq n PRO 85 N -3.06 1.74 0.00 0.00 -0.04 -1.26 -5.02 135.00 127.36 2hgq n PRO 85 Ca -0.36 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 2hgq n PRO 85 Cb 0.91 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 2hgq n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgq n GLY 86 N 2.63 1.89 3.95 0.55 0.00 -1.26 -5.09 105.19 107.85 2hgq n GLY 86 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2hgq n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hgq s GLN 87 N 0.00 2.62 0.54 1.61 -1.52 -1.26 -5.00 119.66 116.65 2hgq s GLN 87 Ca 0.00 -0.49 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 2hgq s GLN 87 Cb 0.00 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.39 2hgq s GLN 87 CO 0.00 -0.75 0.00 1.63 -0.25 0.00 0.00 175.29 175.92 2hgq n LYS 88 N -2.46 -2.92 -0.22 2.91 4.76 -1.26 -4.87 118.16 114.10 2hgq n LYS 88 Ca 0.06 2.39 0.00 0.00 -2.87 0.00 0.00 58.31 57.89 2hgq n LYS 88 Cb 0.59 -3.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.40 2hgq n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2hgq n ILE 89 N -3.95 0.00 0.00 -0.18 5.41 -1.26 -4.99 119.36 114.39 2hgq n ILE 89 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2hgq n ILE 89 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 2hgq n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hgq n GLU 90 N -2.00 0.00 -0.35 0.38 4.71 -1.26 -0.85 120.64 121.27 2hgq n GLU 90 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 2hgq n GLU 90 Cb 0.00 -0.06 0.11 0.00 -1.01 0.00 0.00 31.44 30.48 2hgq n GLU 90 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgq n ALA 91 N -0.42 0.13 -0.15 0.62 0.00 -1.26 -0.00 120.51 119.44 2hgq n ALA 91 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 53.44 54.37 2hgq n ALA 91 Cb 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 2hgq n ALA 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgq h LEU 92 N 0.00 -1.47 0.25 0.00 4.07 -1.46 0.42 115.31 117.12 2hgq h LEU 92 Ca 0.42 0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.60 2hgq h LEU 92 Cb 0.66 0.65 0.00 0.00 1.08 0.00 0.00 40.66 43.05 2hgq h LEU 92 CO -0.97 -0.36 -0.12 1.05 -1.08 0.00 0.00 178.44 176.95 2hgq h GLU 93 N -0.31 -0.33 -0.79 1.13 4.11 0.16 -0.85 114.58 117.71 2hgq h GLU 93 Ca 0.14 0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.78 2hgq h GLU 93 Cb 0.58 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 2hgq h GLU 93 CO -0.60 -0.09 0.19 0.78 0.07 0.00 0.00 179.01 179.36 2hgq h GLY 94 N -0.54 1.13 0.00 1.06 0.00 -0.85 -3.04 103.07 100.83 2hgq h GLY 94 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2hgq h GLY 94 CO 0.06 -0.26 0.00 1.04 0.00 0.00 0.00 176.54 177.38 2hgq n LEU 95 N -5.19 0.00 -0.48 3.11 4.77 0.13 -5.09 117.00 114.24 2hgq n LEU 95 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2hgq n LEU 95 Cb 0.54 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2hgq n LEU 95 CO 0.10 0.00 0.44 0.00 -1.33 0.00 0.00 177.39 176.60