#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n LYS 3 N 0.00 0.00 -1.55 1.97 4.81 -1.26 -5.14 118.16 116.99 2hgj n LYS 3 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.98 2hgj n LYS 3 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2hgj n LYS 3 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2hgj n VAL 4 N 0.00 0.30 -3.49 3.15 0.24 -1.26 -4.97 118.33 112.30 2hgj n VAL 4 Ca 0.00 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 2hgj n VAL 4 Cb 0.00 -2.21 -0.09 0.00 -1.47 0.00 0.00 33.84 30.07 2hgj n VAL 4 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2hgj s VAL 5 N 7.75 4.74 -0.07 3.34 1.01 -1.26 -4.59 120.40 131.32 2hgj s VAL 5 Ca 1.03 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2hgj s VAL 5 Cb -0.54 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.09 2hgj s VAL 5 CO 0.41 -0.55 0.97 0.00 0.00 0.00 0.00 175.10 175.92 2hgj s ALA 6 N 1.53 -1.89 0.11 5.51 0.00 -1.26 -5.14 121.76 120.62 2hgj s ALA 6 Ca 0.04 1.24 -0.36 0.00 0.00 0.00 0.00 51.96 52.88 2hgj s ALA 6 Cb -0.24 0.07 -0.16 0.00 0.00 0.00 0.00 23.12 22.79 2hgj s ALA 6 CO 0.04 -0.59 1.40 1.33 0.00 0.00 0.00 175.76 177.95 2hgj n VAL 7 N -0.00 0.00 -3.87 0.00 0.24 -1.26 -4.78 118.33 108.66 2hgj n VAL 7 Ca -0.07 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.87 2hgj n VAL 7 Cb 0.60 -1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 2hgj n VAL 7 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2hgj s VAL 8 N 0.60 4.50 0.19 3.34 1.01 0.16 -4.91 120.40 125.29 2hgj s VAL 8 Ca 0.83 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2hgj s VAL 8 Cb -0.88 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 2hgj s VAL 8 CO 0.44 0.38 1.08 -0.54 0.00 0.00 0.00 175.10 176.46 2hgj s LYS 9 N 1.17 4.63 -0.08 2.72 1.02 -1.26 -0.91 119.74 127.03 2hgj s LYS 9 Ca 0.05 1.69 -0.02 0.00 0.02 0.00 0.00 55.97 57.70 2hgj s LYS 9 Cb -0.14 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.93 2hgj s LYS 9 CO 0.03 0.14 0.03 -0.48 -0.92 0.00 0.00 175.35 174.15 2hgj s LEU 10 N -0.55 0.50 -0.24 3.17 2.34 0.10 -4.90 118.68 119.09 2hgj s LEU 10 Ca 0.48 -0.13 -0.14 0.00 0.06 0.00 0.00 54.13 54.39 2hgj s LEU 10 Cb -0.29 -0.36 -0.04 0.00 -0.56 0.00 0.00 46.19 44.94 2hgj s LEU 10 CO 0.35 -0.23 0.33 -1.10 -1.06 0.00 0.00 176.35 174.65 2hgj s GLN 11 N 2.03 4.07 0.26 1.48 -0.21 -1.26 -1.26 119.66 124.77 2hgj s GLN 11 Ca 0.04 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.40 2hgj s GLN 11 Cb -0.13 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.26 2hgj s GLN 11 CO -0.05 -0.14 0.33 -0.51 -2.12 0.00 0.00 175.29 172.80 2hgj s LEU 12 N 1.64 0.91 -0.88 2.90 1.43 0.02 -4.66 118.68 120.03 2hgj s LEU 12 Ca 0.14 -1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 51.78 2hgj s LEU 12 Cb -0.15 1.08 0.17 0.00 0.03 0.00 0.00 46.19 47.32 2hgj s LEU 12 CO 0.08 -1.06 0.95 -2.16 0.23 0.00 0.00 176.35 174.40 2hgj s PRO 13 N -3.81 3.60 0.66 1.29 0.04 -1.26 -1.60 135.00 133.93 2hgj s PRO 13 Ca 0.32 -2.10 -0.17 0.00 0.04 0.00 0.00 61.00 59.08 2hgj s PRO 13 Cb 0.03 -4.68 -0.15 0.00 0.04 0.00 0.00 34.50 29.74 2hgj s PRO 13 CO 0.14 -1.54 -0.36 0.00 0.04 0.00 0.00 177.00 175.29 2hgj n ALA 14 N 5.30 -3.89 0.00 8.56 0.00 -1.26 -0.89 120.51 128.32 2hgj n ALA 14 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2hgj n ALA 14 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2hgj n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 15 N 2.81 1.81 0.00 0.00 0.00 -1.26 -4.67 105.19 103.88 2hgj n GLY 15 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2hgj n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 16 N 0.00 1.41 0.00 1.61 4.01 -0.07 -4.97 118.16 120.15 2hgj n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgj n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2hgj n LYS 16 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgj n ALA 17 N -3.00 0.00 0.00 7.82 0.00 -1.26 -4.69 120.51 119.38 2hgj n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgj n THR 18 N 0.00 0.00 -1.64 0.00 -2.24 -1.26 -4.70 114.28 104.44 2hgj n THR 18 Ca 0.00 0.00 -0.54 0.00 -2.27 0.00 0.00 64.05 61.24 2hgj n THR 18 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2hgj n THR 18 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgj n PRO 19 N 0.00 1.33 0.00 -0.78 -0.04 -1.26 -4.33 135.00 129.91 2hgj n PRO 19 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2hgj n PRO 19 Cb 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 2hgj n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgj n ALA 20 N 6.71 0.00 -0.12 0.55 0.00 -1.26 -0.88 120.51 125.51 2hgj n ALA 20 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2hgj n ALA 20 Cb 0.18 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2hgj n ALA 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hgj n PRO 21 N -2.05 0.00 0.07 0.00 -0.04 -1.26 -0.93 135.00 130.79 2hgj n PRO 21 Ca 0.00 0.65 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 2hgj n PRO 21 Cb 0.00 -1.44 0.45 0.00 -0.04 0.00 0.00 33.50 32.46 2hgj n PRO 21 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2hgj n PRO 22 N -2.22 0.12 0.00 0.54 -0.04 -1.18 -4.01 135.00 128.21 2hgj n PRO 22 Ca 0.00 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2hgj n PRO 22 Cb 0.00 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 2hgj n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hgj n VAL 23 N -1.92 0.00 0.00 0.52 0.31 -0.06 -3.70 118.33 113.49 2hgj n VAL 23 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2hgj n VAL 23 Cb 0.27 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 2hgj n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgj n GLY 24 N 1.24 -1.58 0.26 2.92 0.00 -0.11 -3.14 105.19 104.80 2hgj n GLY 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2hgj n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hgj h PRO 25 N 0.00 -0.57 0.00 1.61 0.11 -1.79 -3.31 132.00 128.05 2hgj h PRO 25 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2hgj h PRO 25 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2hgj h PRO 25 CO 0.00 -0.27 0.00 0.00 -0.21 0.00 0.00 178.00 177.52 2hgj n ALA 26 N -2.57 0.00 0.12 -0.75 0.00 -1.26 -0.91 120.51 115.14 2hgj n ALA 26 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2hgj n ALA 26 Cb 0.30 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2hgj n ALA 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgj h LEU 27 N 0.00 -1.28 -0.43 0.00 3.38 -1.64 -0.59 115.31 114.75 2hgj h LEU 27 Ca 0.00 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2hgj h LEU 27 Cb 0.00 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2hgj h LEU 27 CO 0.00 -0.48 -0.25 0.61 0.09 0.00 0.00 178.44 178.41 2hgj n GLY 28 N -1.41 -2.12 0.08 0.83 0.00 -0.09 0.24 105.19 102.71 2hgj n GLY 28 Ca -0.08 0.70 -0.07 0.00 0.00 0.00 0.00 46.02 46.58 2hgj n GLY 28 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2hgj h GLN 29 N 0.00 0.00 -0.39 1.61 -0.00 -1.13 -3.37 115.11 111.83 2hgj h GLN 29 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.59 2hgj h GLN 29 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 2hgj h GLN 29 CO -0.40 0.71 -0.25 1.25 0.00 0.00 0.00 178.83 180.13 2hgj h HIS 30 N 0.00 1.00 0.00 3.99 2.76 -0.81 -3.46 115.15 118.62 2hgj h HIS 30 Ca -0.14 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2hgj h HIS 30 Cb 1.83 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2hgj h HIS 30 CO 0.00 1.05 0.00 0.41 -1.30 0.00 0.00 177.93 178.09 2hgj n GLY 31 N 0.01 -0.11 0.00 5.26 0.00 -0.32 -4.81 105.19 105.22 2hgj n GLY 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hgj n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 32 N 0.00 0.00 -3.61 4.61 0.00 0.65 -4.66 120.51 117.50 2hgj n ALA 32 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2hgj n ALA 32 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hgj n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hgj s ASN 33 N 0.44 -1.02 0.00 0.00 0.01 -1.25 -1.74 114.94 111.38 2hgj s ASN 33 Ca 0.00 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.59 2hgj s ASN 33 Cb 0.00 2.06 0.00 0.00 0.41 0.00 0.00 41.25 43.72 2hgj s ASN 33 CO 0.00 -0.20 0.00 -0.38 -1.51 0.00 0.00 177.10 175.01 2hgj n ILE 34 N 5.17 0.00 -0.23 0.60 5.41 -1.19 -1.53 119.36 127.60 2hgj n ILE 34 Ca -0.13 0.10 0.01 0.00 1.00 0.00 0.00 62.75 63.73 2hgj n ILE 34 Cb 0.51 -0.38 0.13 0.00 -0.71 0.00 0.00 39.64 39.19 2hgj n ILE 34 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2hgj h MET 35 N 0.00 0.53 0.01 0.38 4.05 -1.87 -0.06 114.93 117.97 2hgj h MET 35 Ca 0.00 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 2hgj h MET 35 Cb 0.00 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2hgj h MET 35 CO 0.00 0.35 -0.32 1.49 0.23 0.00 0.00 176.91 178.66 2hgj h GLU 36 N 0.54 0.19 -0.71 0.39 4.81 -1.96 0.78 114.58 118.63 2hgj h GLU 36 Ca 0.34 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2hgj h GLU 36 Cb 0.38 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2hgj h GLU 36 CO -0.28 0.98 0.45 0.74 -0.73 0.00 0.00 179.01 180.17 2hgj h PHE 37 N -0.50 0.84 -0.27 0.92 0.05 -1.32 -1.11 116.94 115.56 2hgj h PHE 37 Ca -0.04 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.83 2hgj h PHE 37 Cb 1.10 -0.28 -0.08 0.00 2.00 0.00 0.00 35.95 38.70 2hgj h PHE 37 CO 0.19 0.49 -0.35 0.28 -0.18 0.00 0.00 178.31 178.74 2hgj h VAL 38 N 0.89 0.22 -0.27 -0.55 2.07 -0.96 -0.13 116.25 117.51 2hgj h VAL 38 Ca 0.28 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.66 2hgj h VAL 38 Cb -0.01 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2hgj h VAL 38 CO -0.10 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 177.20 2hgj h LYS 39 N -0.35 0.64 -0.44 1.57 1.57 -0.21 0.81 116.57 120.16 2hgj h LYS 39 Ca 0.13 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2hgj h LYS 39 Cb 0.56 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 2hgj h LYS 39 CO -0.46 0.93 0.21 0.00 -0.57 0.00 0.00 179.45 179.57 2hgj h ALA 40 N 1.03 0.55 -0.35 3.86 0.00 -0.98 -0.40 119.26 122.98 2hgj h ALA 40 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2hgj h ALA 40 Cb 0.92 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2hgj h ALA 40 CO 0.08 -0.15 -0.44 0.74 0.00 0.00 0.00 179.25 179.49 2hgj h PHE 41 N 0.43 -1.34 -0.42 0.00 0.05 -0.63 0.11 116.94 115.14 2hgj h PHE 41 Ca 0.19 0.07 0.04 0.00 3.82 0.00 0.00 57.97 62.09 2hgj h PHE 41 Cb 0.11 0.63 -0.05 0.00 2.00 0.00 0.00 35.95 38.64 2hgj h PHE 41 CO -0.11 -0.37 -0.24 0.09 -0.18 0.00 0.00 178.31 177.49 2hgj n ASN 42 N -4.77 -0.44 -0.28 2.17 3.02 0.24 0.24 115.26 115.45 2hgj n ASN 42 Ca -0.02 1.08 0.01 0.00 -0.03 0.00 0.00 54.58 55.61 2hgj n ASN 42 Cb 0.26 -0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.21 2hgj n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgj n ALA 43 N -3.13 -0.03 -1.10 5.41 0.00 -0.09 -1.08 120.51 120.50 2hgj n ALA 43 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2hgj n ALA 43 Cb 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2hgj n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj n ALA 44 N -3.64 0.00 0.05 0.00 0.00 0.66 -4.47 120.51 113.12 2hgj n ALA 44 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.55 2hgj n ALA 44 Cb 0.32 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.87 2hgj n ALA 44 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgj n THR 45 N -0.14 1.03 0.26 0.00 -2.24 0.18 -1.43 114.28 111.95 2hgj n THR 45 Ca 0.00 0.57 0.18 0.00 -2.27 0.00 0.00 64.05 62.53 2hgj n THR 45 Cb 0.00 -1.57 0.85 0.00 -2.10 0.00 0.00 70.33 67.51 2hgj n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgj h ALA 46 N 1.21 1.56 -0.12 6.98 0.00 -1.18 0.99 119.26 128.70 2hgj h ALA 46 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hgj h ALA 46 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hgj h ALA 46 CO 0.00 -0.37 0.00 -1.71 0.00 0.00 0.00 179.25 177.17 2hgj n ASN 47 N -3.25 2.55 -3.33 0.00 2.85 -0.51 -4.29 115.26 109.29 2hgj n ASN 47 Ca 0.01 -1.84 -0.23 0.00 -0.11 0.00 0.00 54.58 52.41 2hgj n ASN 47 Cb 0.39 -0.07 -0.09 0.00 1.24 0.00 0.00 39.78 41.26 2hgj n ASN 47 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hgj s MET 48 N -1.87 0.81 -0.42 1.20 0.23 0.34 -5.07 119.30 114.53 2hgj s MET 48 Ca 0.33 -1.65 0.04 0.00 -1.03 0.00 0.00 55.69 53.38 2hgj s MET 48 Cb 0.20 -1.13 0.19 0.00 -1.53 0.00 0.00 34.83 32.57 2hgj s MET 48 CO 0.31 -1.32 0.76 0.20 -2.03 0.00 0.00 175.02 172.94 2hgj s GLY 49 N 0.56 -1.36 0.00 3.16 0.00 -1.24 -4.48 107.32 103.95 2hgj s GLY 49 Ca 0.27 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2hgj s GLY 49 CO -0.11 3.82 0.00 1.22 0.00 0.00 0.00 173.10 178.03 2hgj n ASP 50 N 3.82 0.00 -0.17 1.64 8.00 -1.26 -4.52 116.55 124.06 2hgj n ASP 50 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2hgj n ASP 50 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2hgj n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hgj n ALA 51 N 0.00 1.07 0.00 2.24 0.00 -1.26 -4.93 120.51 117.62 2hgj n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 51 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hgj n ILE 52 N 0.00 0.00 -3.99 0.00 2.08 -1.26 -3.79 119.36 112.40 2hgj n ILE 52 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 2hgj n ILE 52 Cb 0.36 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.10 2hgj n ILE 52 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2hgj s VAL 53 N 0.00 2.43 -0.20 1.39 1.01 -0.62 -4.19 120.40 120.21 2hgj s VAL 53 Ca 0.00 -2.78 -0.09 0.00 0.00 0.00 0.00 61.98 59.11 2hgj s VAL 53 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2hgj s VAL 53 CO 0.00 -0.69 0.10 -2.16 0.00 0.00 0.00 175.10 172.36 2hgj s PRO 54 N 0.37 4.04 0.01 2.72 0.04 -1.26 -0.80 135.00 140.12 2hgj s PRO 54 Ca 0.14 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 60.84 2hgj s PRO 54 Cb -0.22 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 2hgj s PRO 54 CO -0.04 0.20 0.06 0.08 0.04 0.00 0.00 177.00 177.34 2hgj s VAL 55 N 0.61 0.10 -0.12 -0.36 1.01 -0.39 -1.31 120.40 119.93 2hgj s VAL 55 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2hgj s VAL 55 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2hgj s VAL 55 CO 0.01 -0.45 -0.00 -1.61 0.00 0.00 0.00 175.10 173.05 2hgj s GLU 56 N -1.49 3.33 0.03 2.72 2.02 -0.03 -0.72 118.70 124.57 2hgj s GLU 56 Ca -0.15 -0.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 2hgj s GLU 56 Cb -0.08 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 2hgj s GLU 56 CO 0.00 0.51 -0.03 0.96 0.02 0.00 0.00 175.26 176.72 2hgj s ILE 57 N -0.34 0.17 -0.89 -1.63 -4.36 -0.08 -1.31 121.20 112.75 2hgj s ILE 57 Ca 0.07 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 2hgj s ILE 57 Cb -0.12 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.76 2hgj s ILE 57 CO 0.02 -0.72 0.00 1.07 0.24 0.00 0.00 174.94 175.55 2hgj n THR 58 N 0.93 0.00 -2.91 8.37 5.66 0.18 -0.66 114.28 125.85 2hgj n THR 58 Ca -0.19 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.38 2hgj n THR 58 Cb 0.58 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 2hgj n THR 58 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2hgj s ILE 59 N -2.05 4.50 0.40 1.09 1.01 -1.26 -1.49 121.20 123.40 2hgj s ILE 59 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.82 2hgj s ILE 59 Cb 0.00 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2hgj s ILE 59 CO 0.00 -1.03 0.05 -0.47 0.00 0.00 0.00 174.94 173.49 2hgj s TYR 60 N 3.65 2.06 0.80 3.97 5.04 -0.07 -4.94 117.35 127.85 2hgj s TYR 60 Ca 0.27 -0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 53.85 2hgj s TYR 60 Cb -0.14 -1.46 0.02 0.00 0.35 0.00 0.00 41.96 40.73 2hgj s TYR 60 CO 0.18 0.11 -0.23 0.00 -1.34 0.00 0.00 175.55 174.27 2hgj n ALA 61 N -0.92 0.43 -0.54 3.97 0.00 -1.26 -1.22 120.51 120.97 2hgj n ALA 61 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2hgj n ALA 61 Cb 0.66 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2hgj n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hgj n ASP 62 N 1.54 0.00 -3.19 0.00 9.92 -1.26 -3.45 116.55 120.10 2hgj n ASP 62 Ca 0.01 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.10 2hgj n ASP 62 Cb 0.30 -1.50 0.02 0.00 -0.64 0.00 0.00 41.12 39.30 2hgj n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2hgj n ARG 63 N -2.00 -1.96 -1.94 -1.24 1.74 -0.92 -5.03 116.66 105.30 2hgj n ARG 63 Ca 0.00 1.64 -0.02 0.00 -0.77 0.00 0.00 57.85 58.70 2hgj n ARG 63 Cb 0.00 -4.25 0.01 0.00 -1.02 0.00 0.00 32.46 27.20 2hgj n ARG 63 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2hgj n SER 64 N -0.83 -0.62 -3.95 0.55 3.41 -0.36 -5.00 113.62 106.81 2hgj n SER 64 Ca -0.02 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 2hgj n SER 64 Cb 0.56 1.03 -0.16 0.00 -0.26 0.00 0.00 64.21 65.38 2hgj n SER 64 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2hgj s PHE 65 N -6.21 2.23 0.00 7.33 -0.12 -1.26 -0.90 117.98 119.06 2hgj s PHE 65 Ca 0.05 -1.51 0.00 0.00 -0.05 0.00 0.00 56.93 55.43 2hgj s PHE 65 Cb -0.01 -1.54 0.00 0.00 -0.63 0.00 0.00 43.02 40.83 2hgj s PHE 65 CO 0.03 -0.72 0.00 2.41 -0.05 0.00 0.00 175.22 176.89 2hgj n THR 66 N 4.73 0.00 0.00 -4.49 -1.04 -0.55 -4.90 114.28 108.02 2hgj n THR 66 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2hgj n THR 66 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2hgj n THR 66 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2hgj n PHE 67 N 0.00 0.00 -3.55 -1.42 7.35 -1.18 -0.64 117.46 118.01 2hgj n PHE 67 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hgj n PHE 67 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2hgj n PHE 67 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2hgj s VAL 68 N 0.00 -0.79 -0.29 -2.13 -7.23 -0.43 -5.00 120.40 104.54 2hgj s VAL 68 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 2hgj s VAL 68 Cb 0.00 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 2hgj s VAL 68 CO 0.00 0.00 0.65 0.42 -0.31 0.00 0.00 175.10 175.86 2hgj s THR 69 N 2.70 4.93 -0.37 5.32 -4.23 -1.26 -0.85 115.64 121.89 2hgj s THR 69 Ca -0.05 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 2hgj s THR 69 Cb -0.10 -4.00 0.13 0.00 1.34 0.00 0.00 72.50 69.88 2hgj s THR 69 CO -0.18 -0.10 0.20 -0.54 -0.54 0.00 0.00 174.62 173.46 2hgj s LYS 70 N 2.62 0.73 0.00 3.99 1.02 -0.43 -4.99 119.74 122.68 2hgj s LYS 70 Ca 0.26 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2hgj s LYS 70 Cb -0.15 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 2hgj s LYS 70 CO 0.11 -1.16 0.00 0.25 -0.92 0.00 0.00 175.35 173.63 2hgj n THR 71 N 4.08 0.00 -1.74 2.17 -2.24 -1.26 -4.80 114.28 110.50 2hgj n THR 71 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2hgj n THR 71 Cb 0.37 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2hgj n THR 71 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgj n PRO 72 N -0.07 2.43 -1.20 -0.78 -0.04 -1.26 -4.64 135.00 129.44 2hgj n PRO 72 Ca 0.00 0.85 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 2hgj n PRO 72 Cb 0.00 -2.52 0.04 0.00 -0.04 0.00 0.00 33.50 30.98 2hgj n PRO 72 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2hgj n PRO 73 N 0.62 0.12 0.00 0.54 -0.02 -1.26 -4.51 135.00 130.48 2hgj n PRO 73 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2hgj n PRO 73 Cb 0.37 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2hgj n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgj n ALA 74 N -2.06 0.00 -0.33 3.55 0.00 -1.26 -1.24 120.51 119.17 2hgj n ALA 74 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2hgj n ALA 74 Cb 0.50 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.23 2hgj n ALA 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2hgj h SER 75 N 0.00 -0.45 -0.04 0.00 0.02 -1.90 -0.57 113.55 110.61 2hgj h SER 75 Ca 0.00 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2hgj h SER 75 Cb 0.00 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2hgj h SER 75 CO 0.00 -0.33 -0.05 1.88 -1.14 0.00 0.00 176.83 177.19 2hgj h TYR 76 N 0.02 -0.12 -0.47 3.45 0.99 -1.89 -0.39 116.97 118.57 2hgj h TYR 76 Ca 0.58 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 61.19 2hgj h TYR 76 Cb 1.19 0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.97 2hgj h TYR 76 CO -0.48 -0.08 -0.23 1.25 -0.00 0.00 0.00 178.16 178.62 2hgj h LEU 77 N -0.07 1.02 0.19 3.88 7.12 -0.09 -0.07 115.31 127.29 2hgj h LEU 77 Ca 0.03 -0.40 0.01 0.00 0.13 0.00 0.00 57.88 57.65 2hgj h LEU 77 Cb 0.12 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 39.92 2hgj h LEU 77 CO -0.08 1.19 -0.52 -0.29 -0.13 0.00 0.00 178.44 178.61 2hgj h ILE 78 N 0.84 0.01 -0.07 4.05 2.10 -0.72 0.20 117.51 123.92 2hgj h ILE 78 Ca 0.10 0.00 0.03 0.00 1.08 0.00 0.00 64.86 66.07 2hgj h ILE 78 Cb 0.81 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.53 2hgj h ILE 78 CO 0.07 0.00 -0.10 0.03 -1.08 0.00 0.00 178.15 177.07 2hgj h ARG 79 N -0.80 -0.13 -0.47 2.19 3.08 -1.09 0.10 114.38 117.26 2hgj h ARG 79 Ca -0.01 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.18 2hgj h ARG 79 Cb 0.78 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2hgj h ARG 79 CO -0.24 -0.08 0.60 0.87 -1.07 0.00 0.00 179.97 180.04 2hgj h LYS 80 N -0.13 0.00 0.07 0.04 6.56 -0.42 0.98 116.57 123.66 2hgj h LYS 80 Ca 0.06 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.28 2hgj h LYS 80 Cb 0.22 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 2hgj h LYS 80 CO -0.15 0.00 -2.14 0.00 -2.06 0.00 0.00 179.45 175.10 2hgj n ALA 81 N -2.23 1.16 -0.30 3.86 0.00 0.01 -4.66 120.51 118.34 2hgj n ALA 81 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2hgj n ALA 81 Cb 0.78 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2hgj n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj n ALA 82 N -3.01 -0.27 0.00 0.00 0.00 0.33 -5.08 120.51 112.48 2hgj n ALA 82 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2hgj n ALA 82 Cb 1.04 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.59 2hgj n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 83 N -0.88 -2.00 0.00 0.00 0.00 -0.41 -5.07 105.19 96.82 2hgj n GLY 83 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2hgj n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 84 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.04 117.00 116.46 2hgj n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hgj n LEU 84 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hgj n LEU 84 CO 0.00 -0.32 0.00 -0.62 -1.33 0.00 0.00 177.39 175.12 2hgj n GLU 85 N 0.00 0.00 -0.11 3.23 1.02 -1.26 -4.96 120.64 118.56 2hgj n GLU 85 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2hgj n GLU 85 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 2hgj n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hgj n LYS 86 N 0.00 -2.65 -0.94 3.49 5.02 -1.26 -4.88 118.16 116.95 2hgj n LYS 86 Ca 0.00 -0.53 -0.34 0.00 -2.02 0.00 0.00 58.31 55.42 2hgj n LYS 86 Cb 0.00 -0.74 0.11 0.00 -0.02 0.00 0.00 35.03 34.38 2hgj n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgj n GLY 87 N -2.00 -1.59 0.93 0.72 0.00 -1.26 -4.69 105.19 97.29 2hgj n GLY 87 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2hgj n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 88 N -3.31 1.86 0.00 4.61 0.00 -1.20 -4.70 120.51 117.77 2hgj n ALA 88 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2hgj n ALA 88 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2hgj n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hgj n HIS 89 N 0.73 0.00 -3.45 0.00 8.25 -1.26 -4.46 115.22 115.02 2hgj n HIS 89 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2hgj n HIS 89 Cb 0.19 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 2hgj n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2hgj s LYS 90 N 0.00 0.19 0.21 -0.41 1.02 -1.26 -5.14 119.74 114.35 2hgj s LYS 90 Ca 0.00 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.39 2hgj s LYS 90 Cb 0.00 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2hgj s LYS 90 CO 0.00 -0.05 0.39 -1.25 -0.92 0.00 0.00 175.35 173.52 2hgj s PRO 91 N 1.79 3.51 0.00 -1.68 0.04 -1.23 -3.95 135.00 133.48 2hgj s PRO 91 Ca -0.04 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.63 2hgj s PRO 91 Cb -0.03 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2hgj s PRO 91 CO -0.15 0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.70 2hgj n GLY 92 N -0.74 2.07 0.21 0.56 0.00 -1.26 -4.39 105.19 101.64 2hgj n GLY 92 Ca -0.05 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2hgj n GLY 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2hgj h ARG 93 N 0.00 0.69 -0.24 1.61 2.43 -1.99 -3.33 114.38 113.55 2hgj h ARG 93 Ca 0.00 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 2hgj h ARG 93 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2hgj h ARG 93 CO 0.00 1.10 -0.15 1.49 -1.51 0.00 0.00 179.97 180.90 2hgj h GLU 94 N 0.39 0.53 -6.44 0.20 4.81 -1.77 -3.47 114.58 108.83 2hgj h GLU 94 Ca -0.01 -0.24 -0.49 0.00 -0.13 0.00 0.00 59.36 58.49 2hgj h GLU 94 Cb 1.12 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 2hgj h GLU 94 CO 0.11 0.81 -0.86 1.63 -0.73 0.00 0.00 179.01 179.96 2hgj n LYS 95 N -4.46 -3.71 -0.05 1.92 5.02 -1.25 -4.88 118.16 110.75 2hgj n LYS 95 Ca -0.04 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.56 2hgj n LYS 95 Cb 0.37 -4.77 -0.14 0.00 -0.02 0.00 0.00 35.03 30.47 2hgj n LYS 95 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2hgj n VAL 96 N -4.40 1.58 -4.14 -0.18 0.24 -1.26 -4.83 118.33 105.34 2hgj n VAL 96 Ca -0.24 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 60.98 2hgj n VAL 96 Cb 0.65 -1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 31.75 2hgj n VAL 96 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hgj s GLY 97 N -5.58 1.79 -0.13 7.63 0.00 -0.46 -5.06 107.32 105.51 2hgj s GLY 97 Ca -0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 2hgj s GLY 97 CO 0.77 0.09 0.20 0.50 0.00 0.00 0.00 173.10 174.65 2hgj s ARG 98 N 0.59 0.10 0.48 2.90 0.52 -1.26 -0.54 118.95 121.74 2hgj s ARG 98 Ca 0.00 0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 55.65 2hgj s ARG 98 Cb -0.14 -0.54 0.10 0.00 0.52 0.00 0.00 34.95 34.90 2hgj s ARG 98 CO 0.02 -0.41 0.65 -0.89 0.02 0.00 0.00 175.30 174.69 2hgj n ILE 99 N 5.33 0.00 -4.39 1.52 5.41 -0.27 -4.49 119.36 122.47 2hgj n ILE 99 Ca -0.05 -0.71 -0.29 0.00 1.00 0.00 0.00 62.75 62.69 2hgj n ILE 99 Cb 0.50 -1.42 -0.17 0.00 -0.71 0.00 0.00 39.64 37.84 2hgj n ILE 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2hgj s THR 100 N -2.12 1.57 0.00 1.39 -4.23 -1.26 -1.08 115.64 109.91 2hgj s THR 100 Ca 0.40 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2hgj s THR 100 Cb -0.02 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.38 2hgj s THR 100 CO 0.27 0.46 0.00 1.87 -0.54 0.00 0.00 174.62 176.68 2hgj n TRP 101 N 4.31 0.00 -0.04 3.99 -0.00 -1.26 -0.87 117.44 123.56 2hgj n TRP 101 Ca -0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.24 2hgj n TRP 101 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.77 2hgj n TRP 101 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 2hgj h GLU 102 N 0.00 -0.23 -0.69 5.87 5.08 -1.99 0.13 114.58 122.76 2hgj h GLU 102 Ca 0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 2hgj h GLU 102 Cb 0.00 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.17 2hgj h GLU 102 CO 0.00 -0.15 0.01 0.94 -1.00 0.00 0.00 179.01 178.80 2hgj n GLN 103 N -4.04 -0.06 0.42 2.33 0.00 -0.53 0.96 117.38 116.46 2hgj n GLN 103 Ca -0.02 1.04 -0.19 0.00 -0.00 0.00 0.00 57.00 57.83 2hgj n GLN 103 Cb 0.18 -1.65 -0.09 0.00 0.00 0.00 0.00 30.24 28.68 2hgj n GLN 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2hgj h VAL 104 N 0.00 0.24 -0.84 1.69 2.07 0.12 -0.97 116.25 118.56 2hgj h VAL 104 Ca 0.42 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.07 2hgj h VAL 104 Cb 0.85 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2hgj h VAL 104 CO -0.65 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.42 2hgj h LEU 105 N -1.04 0.59 0.62 2.57 3.38 0.22 0.11 115.31 121.76 2hgj h LEU 105 Ca -0.11 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2hgj h LEU 105 Cb 0.80 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2hgj h LEU 105 CO 0.17 0.31 -0.30 1.05 0.09 0.00 0.00 178.44 179.76 2hgj h GLU 106 N 0.63 -0.81 -0.53 1.13 -0.00 -0.68 -0.09 114.58 114.22 2hgj h GLU 106 Ca 0.42 0.06 0.10 0.00 -0.00 0.00 0.00 59.36 59.93 2hgj h GLU 106 Cb 0.71 0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 29.62 2hgj h GLU 106 CO -0.17 -0.54 0.36 0.82 -0.00 0.00 0.00 179.01 179.48 2hgj h ILE 107 N -1.22 0.87 -0.11 -1.06 2.04 -1.11 -0.32 117.51 116.60 2hgj h ILE 107 Ca -0.09 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2hgj h ILE 107 Cb 0.64 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2hgj h ILE 107 CO 0.14 0.05 -0.28 0.00 0.00 0.00 0.00 178.15 178.07 2hgj h ALA 108 N 1.73 -0.63 -0.73 1.87 0.00 -0.78 -1.02 119.26 119.70 2hgj h ALA 108 Ca 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2hgj h ALA 108 Cb 0.59 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2hgj h ALA 108 CO -0.06 -0.74 0.47 1.57 0.00 0.00 0.00 179.25 180.50 2hgj h LYS 109 N -0.27 0.90 -0.45 0.00 2.10 -0.01 -0.00 116.57 118.85 2hgj h LYS 109 Ca 0.02 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.66 2hgj h LYS 109 Cb 0.33 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 2hgj h LYS 109 CO -0.25 0.60 -0.26 0.94 -2.00 0.00 0.00 179.45 178.48 2hgj n GLN 110 N -4.62 -0.20 0.14 0.07 7.27 -0.23 -1.51 117.38 118.31 2hgj n GLN 110 Ca 0.08 1.18 0.09 0.00 0.07 0.00 0.00 57.00 58.41 2hgj n GLN 110 Cb 0.06 -1.75 0.05 0.00 2.41 0.00 0.00 30.24 31.02 2hgj n GLN 110 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2hgj h LYS 111 N 0.00 0.00 0.00 3.69 3.64 -1.26 -3.41 116.57 119.23 2hgj h LYS 111 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2hgj h LYS 111 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2hgj h LYS 111 CO -0.42 0.11 0.00 -1.33 -2.27 0.00 0.00 179.45 175.54 2hgj n MET 112 N -2.94 0.00 0.00 1.90 2.81 -0.02 -4.04 117.12 114.83 2hgj n MET 112 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2hgj n MET 112 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 2hgj n MET 112 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2hgj n PRO 113 N -2.56 0.00 0.07 0.03 -0.02 -1.26 0.71 135.00 131.96 2hgj n PRO 113 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 2hgj n PRO 113 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.55 2hgj n PRO 113 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hgj n ASP 114 N -0.08 0.07 -3.87 2.55 2.03 -1.26 -4.72 116.55 111.28 2hgj n ASP 114 Ca 0.00 0.25 -0.45 0.00 0.52 0.00 0.00 54.79 55.12 2hgj n ASP 114 Cb 0.00 -0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.17 2hgj n ASP 114 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2hgj n LEU 115 N -1.45 -0.80 -4.54 -2.67 -0.00 0.22 -4.63 117.00 103.13 2hgj n LEU 115 Ca -0.00 1.00 -0.38 0.00 -0.00 0.00 0.00 56.01 56.62 2hgj n LEU 115 Cb 0.42 -0.82 -0.06 0.00 -0.00 0.00 0.00 43.42 42.96 2hgj n LEU 115 CO 0.01 -2.36 2.04 -0.46 -0.00 0.00 0.00 177.39 176.62 2hgj n ASN 116 N 1.63 1.99 0.00 1.96 0.23 -1.26 -1.86 115.26 117.95 2hgj n ASN 116 Ca 0.16 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2hgj n ASN 116 Cb 0.18 -1.44 0.00 0.00 -2.08 0.00 0.00 39.78 36.44 2hgj n ASN 116 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2hgj n THR 117 N 7.84 0.00 -1.32 5.53 -2.24 -1.26 -4.76 114.28 118.07 2hgj n THR 117 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 2hgj n THR 117 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2hgj n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hgj n THR 118 N -0.74 -4.45 0.00 4.28 -2.24 -0.78 -5.14 114.28 105.22 2hgj n THR 118 Ca 0.00 1.92 0.00 0.00 -2.27 0.00 0.00 64.05 63.70 2hgj n THR 118 Cb 0.00 -2.71 0.00 0.00 -2.10 0.00 0.00 70.33 65.52 2hgj n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2hgj n ASP 119 N -0.27 0.00 -0.11 3.42 2.03 -1.26 -4.98 116.55 115.38 2hgj n ASP 119 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2hgj n ASP 119 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2hgj n ASP 119 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2hgj h LEU 120 N 0.00 0.26 -0.30 -2.67 -0.00 -1.98 -0.38 115.31 110.24 2hgj h LEU 120 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2hgj h LEU 120 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2hgj h LEU 120 CO 0.00 0.19 0.14 -0.33 -0.00 0.00 0.00 178.44 178.44 2hgj h GLU 121 N 0.37 0.44 0.04 0.17 5.08 -1.99 -0.88 114.58 117.81 2hgj h GLU 121 Ca 0.15 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2hgj h GLU 121 Cb 0.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2hgj h GLU 121 CO -0.11 0.42 -0.14 0.00 -1.00 0.00 0.00 179.01 178.18 2hgj h ALA 122 N 0.99 -0.20 0.54 3.43 0.00 -1.87 -0.37 119.26 121.77 2hgj h ALA 122 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2hgj h ALA 122 Cb 0.13 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hgj h ALA 122 CO -0.01 -0.65 -0.36 0.00 0.00 0.00 0.00 179.25 178.23 2hgj h ALA 123 N 0.65 -1.15 -0.30 0.00 0.00 -0.92 0.01 119.26 117.55 2hgj h ALA 123 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2hgj h ALA 123 Cb 0.30 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2hgj h ALA 123 CO -0.11 -1.13 0.08 0.00 0.00 0.00 0.00 179.25 178.09 2hgj h ALA 124 N -1.34 0.33 -0.26 0.00 0.00 -1.18 -0.76 119.26 116.06 2hgj h ALA 124 Ca -0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2hgj h ALA 124 Cb 0.69 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2hgj h ALA 124 CO 0.05 -0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.05 2hgj h ARG 125 N 0.20 0.18 -0.58 0.00 3.08 -1.06 -0.57 114.38 115.63 2hgj h ARG 125 Ca 0.14 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.21 2hgj h ARG 125 Cb 0.13 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2hgj h ARG 125 CO -0.17 0.12 0.33 0.52 -1.07 0.00 0.00 179.97 179.70 2hgj h MET 126 N 0.18 0.62 -0.13 0.04 2.86 -0.77 -0.08 114.93 117.65 2hgj h MET 126 Ca 0.12 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2hgj h MET 126 Cb 0.10 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.55 2hgj h MET 126 CO -0.13 0.41 -0.45 0.82 1.06 0.00 0.00 176.91 178.61 2hgj h ILE 127 N 0.64 0.10 -0.12 -1.22 2.04 0.15 -0.72 117.51 118.39 2hgj h ILE 127 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 2hgj h ILE 127 Cb 0.08 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2hgj h ILE 127 CO -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 177.87 2hgj h ALA 128 N 0.01 -0.08 -0.56 1.87 0.00 -0.63 -0.12 119.26 119.74 2hgj h ALA 128 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hgj h ALA 128 Cb 0.65 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2hgj h ALA 128 CO -0.41 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 178.64 2hgj n GLY 129 N -1.30 -2.86 0.20 0.00 0.00 -0.09 -0.88 105.19 100.26 2hgj n GLY 129 Ca -0.03 0.28 0.04 0.00 0.00 0.00 0.00 46.02 46.31 2hgj n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hgj h SER 130 N 0.00 0.00 0.21 1.61 4.64 -1.24 -0.50 113.55 118.27 2hgj h SER 130 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2hgj h SER 130 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2hgj h SER 130 CO 0.00 0.32 -0.43 0.00 -0.87 0.00 0.00 176.83 175.85 2hgj h ALA 131 N 1.68 -0.83 -0.41 5.18 0.00 -0.88 0.56 119.26 124.56 2hgj h ALA 131 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2hgj h ALA 131 Cb 0.60 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2hgj h ALA 131 CO 0.04 -1.03 0.13 0.00 0.00 0.00 0.00 179.25 178.40 2hgj h ARG 132 N -0.73 0.28 -0.68 0.00 3.08 0.42 2.00 114.38 118.75 2hgj h ARG 132 Ca -0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.14 2hgj h ARG 132 Cb 0.72 -0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.59 2hgj h ARG 132 CO -0.19 0.19 -0.25 0.45 -1.07 0.00 0.00 179.97 179.09 2hgj n SER 133 N -5.02 -0.42 0.03 7.04 2.88 0.04 -1.14 113.62 117.03 2hgj n SER 133 Ca 0.03 1.18 -0.19 0.00 -1.33 0.00 0.00 58.87 58.55 2hgj n SER 133 Cb 0.16 -0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 63.19 2hgj n SER 133 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2hgj h MET 134 N 0.00 0.25 0.00 -1.46 1.85 -0.45 -3.43 114.93 111.70 2hgj h MET 134 Ca 0.25 -0.43 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2hgj h MET 134 Cb 0.41 0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.60 2hgj h MET 134 CO -0.67 1.21 0.00 0.41 -0.40 0.00 0.00 176.91 177.45 2hgj n GLY 135 N 1.66 -0.14 3.14 1.39 0.00 -0.27 -3.28 105.19 107.69 2hgj n GLY 135 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2hgj n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgj n VAL 136 N 0.00 4.61 -2.06 1.61 0.31 0.66 -1.35 118.33 122.12 2hgj n VAL 136 Ca 0.00 -5.04 -0.28 0.00 -0.01 0.00 0.00 64.34 59.00 2hgj n VAL 136 Cb 0.00 -2.36 0.16 0.00 -0.91 0.00 0.00 33.84 30.73 2hgj n VAL 136 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hgj s GLU 137 N -0.42 1.04 -0.32 5.55 2.02 0.30 0.20 118.70 127.07 2hgj s GLU 137 Ca 0.37 -0.47 -0.15 0.00 0.02 0.00 0.00 54.97 54.74 2hgj s GLU 137 Cb 0.02 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 2hgj s GLU 137 CO 0.01 -2.10 0.37 0.14 0.02 0.00 0.00 175.26 173.70 2hgj s VAL 138 N -3.70 5.16 0.00 2.63 -7.23 -1.26 -1.11 120.40 114.89 2hgj s VAL 138 Ca 0.71 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 2hgj s VAL 138 Cb -0.05 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2hgj s VAL 138 CO 0.51 -0.01 0.00 0.52 -0.31 0.00 0.00 175.10 175.81