#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhf s ALA 3 N 0.00 0.18 0.16 7.82 0.00 -1.26 -5.14 121.76 123.52 1jhf s ALA 3 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 1jhf s ALA 3 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1jhf s ALA 3 CO 0.00 -0.02 0.78 -0.51 0.00 0.00 0.00 175.76 176.01 1jhf s LEU 4 N 0.44 4.59 0.97 0.00 1.43 -1.26 -5.06 118.68 119.79 1jhf s LEU 4 Ca -0.04 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.56 1jhf s LEU 4 Cb -0.06 -3.29 0.18 0.00 0.03 0.00 0.00 46.19 43.04 1jhf s LEU 4 CO -0.01 0.20 1.17 0.42 0.23 0.00 0.00 176.35 178.36 1jhf s THR 5 N -1.10 1.93 0.16 5.49 -4.23 -1.26 -4.78 115.64 111.84 1jhf s THR 5 Ca 0.36 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.71 1jhf s THR 5 Cb -0.23 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1jhf s THR 5 CO 0.26 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.15 1jhf h ALA 6 N -1.72 0.52 -0.52 3.99 0.00 -1.99 -1.24 119.26 118.30 1jhf h ALA 6 Ca -0.48 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1jhf h ALA 6 Cb 1.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1jhf h ALA 6 CO 0.52 -0.05 -0.15 -0.09 0.00 0.00 0.00 179.25 179.48 1jhf h ARG 7 N 0.52 1.01 -0.52 0.00 2.43 -2.00 -2.47 114.38 113.37 1jhf h ARG 7 Ca 0.16 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1jhf h ARG 7 Cb -0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1jhf h ARG 7 CO -0.05 1.08 0.13 1.96 -1.51 0.00 0.00 179.97 181.58 1jhf h GLN 8 N 0.89 0.78 -0.59 0.20 4.20 -1.88 -2.07 115.11 116.64 1jhf h GLN 8 Ca 0.13 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1jhf h GLN 8 Cb 0.73 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1jhf h GLN 8 CO 0.06 0.71 0.11 0.37 -0.67 0.00 0.00 178.83 179.40 1jhf h GLN 9 N 0.76 0.98 -0.61 1.46 5.75 -1.05 -0.81 115.11 121.58 1jhf h GLN 9 Ca 0.17 -0.26 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1jhf h GLN 9 Cb 0.27 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1jhf h GLN 9 CO -0.00 0.92 0.11 0.93 -2.65 0.00 0.00 178.83 178.14 1jhf h GLU 10 N 0.88 0.98 -0.29 1.69 5.08 -1.09 0.13 114.58 121.95 1jhf h GLU 10 Ca 0.18 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1jhf h GLU 10 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1jhf h GLU 10 CO 0.01 0.89 -0.15 0.28 -1.00 0.00 0.00 179.01 179.04 1jhf h VAL 11 N 0.93 1.30 -0.80 3.13 2.07 -1.18 -2.10 116.25 119.59 1jhf h VAL 11 Ca 0.19 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1jhf h VAL 11 Cb 0.38 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1jhf h VAL 11 CO 0.01 0.40 0.36 0.15 0.02 0.00 0.00 177.57 178.51 1jhf h PHE 12 N 0.37 1.19 -0.58 1.57 3.57 -0.91 -1.97 116.94 120.17 1jhf h PHE 12 Ca 0.06 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1jhf h PHE 12 Cb 0.68 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1jhf h PHE 12 CO 0.06 0.87 0.20 -0.44 -2.23 0.00 0.00 178.31 176.78 1jhf h ASP 13 N 1.15 0.82 -0.74 0.41 3.32 -0.69 -1.93 116.42 118.76 1jhf h ASP 13 Ca 0.27 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1jhf h ASP 13 Cb 0.16 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1jhf h ASP 13 CO -0.03 0.79 0.34 0.25 -1.72 0.00 0.00 179.24 178.87 1jhf h LEU 14 N 0.80 0.98 -0.08 1.55 5.85 -1.08 -0.48 115.31 122.85 1jhf h LEU 14 Ca 0.19 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1jhf h LEU 14 Cb 0.25 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1jhf h LEU 14 CO -0.01 0.85 0.04 0.40 -0.34 0.00 0.00 178.44 179.39 1jhf h ILE 15 N 1.05 1.07 -0.66 4.05 2.04 -1.16 -1.21 117.51 122.68 1jhf h ILE 15 Ca 0.25 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1jhf h ILE 15 Cb 0.14 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1jhf h ILE 15 CO -0.03 0.06 0.34 0.03 0.00 0.00 0.00 178.15 178.55 1jhf h ARG 16 N 0.05 0.93 -0.64 2.37 3.08 -1.17 -2.32 114.38 116.69 1jhf h ARG 16 Ca 0.03 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1jhf h ARG 16 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1jhf h ARG 16 CO -0.00 0.72 0.15 -0.44 -1.07 0.00 0.00 179.97 179.33 1jhf h ASP 17 N 0.91 0.94 -0.60 7.04 3.32 -0.93 -0.79 116.42 126.31 1jhf h ASP 17 Ca 0.23 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1jhf h ASP 17 Cb 0.08 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1jhf h ASP 17 CO -0.03 0.91 0.26 0.45 -1.72 0.00 0.00 179.24 179.11 1jhf h HIS 18 N 0.95 0.89 -0.49 4.55 3.86 -0.99 -1.39 115.15 122.54 1jhf h HIS 18 Ca 0.20 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1jhf h HIS 18 Cb 0.34 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1jhf h HIS 18 CO 0.02 0.70 -0.13 0.82 0.86 0.00 0.00 177.93 180.21 1jhf h ILE 19 N 0.83 1.27 -0.02 2.45 2.04 -1.19 0.12 117.51 123.01 1jhf h ILE 19 Ca 0.20 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 1jhf h ILE 19 Cb 0.17 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1jhf h ILE 19 CO -0.02 0.44 -0.19 0.28 0.00 0.00 0.00 178.15 178.66 1jhf h SER 20 N 0.81 0.03 0.32 1.72 0.02 -0.89 1.27 113.55 116.83 1jhf h SER 20 Ca 0.12 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.75 1jhf h SER 20 Cb 0.69 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 1jhf h SER 20 CO 0.05 0.23 -1.92 1.67 -1.14 0.00 0.00 176.83 175.72 1jhf n GLN 21 N -4.29 0.66 0.00 3.45 -0.06 -0.55 -4.62 117.38 111.97 1jhf n GLN 21 Ca -0.02 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1jhf n GLN 21 Cb 0.26 -1.71 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 1jhf n GLN 21 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1jhf n THR 22 N -3.05 0.00 -0.98 1.69 -2.24 0.39 -4.99 114.28 105.11 1jhf n THR 22 Ca -0.23 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1jhf n THR 22 Cb 1.07 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1jhf n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhf n GLY 23 N 1.31 0.60 3.13 3.38 0.00 0.44 -4.98 105.19 109.08 1jhf n GLY 23 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1jhf n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jhf s MET 24 N -0.20 1.08 0.79 1.61 -2.45 -1.26 -4.89 119.30 113.99 1jhf s MET 24 Ca 0.00 -0.64 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 1jhf s MET 24 Cb 0.00 -1.08 0.06 0.00 1.25 0.00 0.00 34.83 35.07 1jhf s MET 24 CO 0.00 0.28 1.10 -1.25 1.05 0.00 0.00 175.02 176.20 1jhf s PRO 25 N -0.71 2.16 0.50 4.11 0.04 -1.26 -3.16 135.00 136.67 1jhf s PRO 25 Ca 0.04 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.60 1jhf s PRO 25 Cb -0.07 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1jhf s PRO 25 CO 0.00 -1.56 0.85 -1.25 0.04 0.00 0.00 177.00 175.08 1jhf s PRO 26 N -5.19 3.63 0.74 0.56 0.04 -1.26 -4.91 135.00 128.61 1jhf s PRO 26 Ca 0.60 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.97 1jhf s PRO 26 Cb -0.14 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.15 1jhf s PRO 26 CO 0.54 -0.25 1.10 0.95 0.04 0.00 0.00 177.00 179.37 1jhf s THR 27 N -2.74 2.56 0.34 1.26 -4.23 -1.26 -4.81 115.64 106.76 1jhf s THR 27 Ca 0.51 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1jhf s THR 27 Cb -0.10 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.73 1jhf s THR 27 CO 0.43 -0.19 1.87 0.03 -0.54 0.00 0.00 174.62 176.22 1jhf h ARG 28 N -0.77 0.45 -0.42 3.99 -0.00 -1.98 -2.30 114.38 113.36 1jhf h ARG 28 Ca -0.45 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.98 58.81 1jhf h ARG 28 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.20 1jhf h ARG 28 CO 0.64 0.52 -0.18 0.00 0.00 0.00 0.00 179.97 180.95 1jhf h ALA 29 N 1.52 0.58 -0.75 0.04 0.00 -1.93 -2.09 119.26 116.64 1jhf h ALA 29 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1jhf h ALA 29 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jhf h ALA 29 CO 0.02 0.52 0.28 0.93 0.00 0.00 0.00 179.25 181.00 1jhf h GLU 30 N 0.67 1.12 -0.23 0.00 5.08 -1.86 -1.57 114.58 117.79 1jhf h GLU 30 Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1jhf h GLU 30 Cb 0.73 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jhf h GLU 30 CO 0.06 0.92 0.06 0.82 -1.00 0.00 0.00 179.01 179.87 1jhf h ILE 31 N 1.09 1.20 -0.40 3.13 2.04 -1.30 -1.45 117.51 121.82 1jhf h ILE 31 Ca 0.25 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1jhf h ILE 31 Cb 0.23 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1jhf h ILE 31 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 1jhf h ALA 32 N 0.88 1.25 -0.10 1.87 0.00 -1.20 -1.75 119.26 120.21 1jhf h ALA 32 Ca 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1jhf h ALA 32 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jhf h ALA 32 CO -0.00 0.50 -0.13 0.37 0.00 0.00 0.00 179.25 179.99 1jhf h GLN 33 N 0.60 0.27 -0.34 0.00 5.75 -1.18 0.21 115.11 120.43 1jhf h GLN 33 Ca 0.12 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1jhf h GLN 33 Cb 0.39 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1jhf h GLN 33 CO 0.01 0.71 -0.21 -0.09 -2.65 0.00 0.00 178.83 176.60 1jhf h ARG 34 N -0.15 0.65 -0.63 1.69 9.65 -1.19 -3.05 114.38 121.36 1jhf h ARG 34 Ca 0.01 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1jhf h ARG 34 Cb 0.68 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1jhf h ARG 34 CO 0.03 0.82 0.00 1.28 2.80 0.00 0.00 179.97 184.90 1jhf n LEU 35 N -4.12 3.81 -2.77 3.80 4.77 -0.67 -4.98 117.00 116.85 1jhf n LEU 35 Ca 0.00 -1.84 -0.21 0.00 -0.03 0.00 0.00 56.01 53.93 1jhf n LEU 35 Cb 0.41 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1jhf n LEU 35 CO 0.43 0.91 -0.06 0.61 -1.33 0.00 0.00 177.39 177.95 1jhf n GLY 36 N 1.61 -0.47 3.81 -0.72 0.00 -0.30 -4.99 105.19 104.13 1jhf n GLY 36 Ca 0.23 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1jhf n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jhf s PHE 37 N -3.13 3.09 0.48 1.61 2.99 0.59 -4.94 117.98 118.67 1jhf s PHE 37 Ca 0.22 1.47 0.27 0.00 0.00 0.00 0.00 56.93 58.90 1jhf s PHE 37 Cb -0.10 -2.94 1.54 0.00 0.00 0.00 0.00 43.02 41.52 1jhf s PHE 37 CO 0.28 -1.07 2.13 0.07 -0.00 0.00 0.00 175.22 176.63 1jhf h ARG 38 N 0.11 0.00 -1.43 0.44 0.11 -1.94 -3.45 114.38 108.23 1jhf h ARG 38 Ca -0.46 0.00 0.31 0.00 0.10 0.00 0.00 59.98 59.93 1jhf h ARG 38 Cb 1.21 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.15 1jhf h ARG 38 CO 0.58 0.08 0.83 -1.54 0.10 0.00 0.00 179.97 180.03 1jhf s SER 39 N -6.23 -0.08 0.51 0.08 1.04 -1.26 -5.02 113.70 102.74 1jhf s SER 39 Ca -0.04 -0.09 0.22 0.00 0.48 0.00 0.00 55.95 56.52 1jhf s SER 39 Cb 0.14 0.15 1.32 0.00 0.10 0.00 0.00 66.02 67.72 1jhf s SER 39 CO 0.58 -0.26 2.02 -0.65 0.98 0.00 0.00 173.24 175.91 1jhf h PRO 40 N 2.00 0.06 -0.94 4.02 0.11 -1.90 -0.46 132.00 134.89 1jhf h PRO 40 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1jhf h PRO 40 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1jhf h PRO 40 CO 0.27 0.04 0.60 -0.91 -0.21 0.00 0.00 178.00 177.79 1jhf h ASN 41 N 0.07 1.09 -0.52 -2.05 -0.26 -1.95 -1.58 115.58 110.38 1jhf h ASN 41 Ca 0.22 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 1jhf h ASN 41 Cb 0.78 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 1jhf h ASN 41 CO -0.02 0.80 0.18 0.00 -1.06 0.00 0.00 177.43 177.34 1jhf h ALA 42 N 1.39 1.25 -0.33 -0.83 0.00 -1.48 -2.55 119.26 116.71 1jhf h ALA 42 Ca 0.34 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1jhf h ALA 42 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1jhf h ALA 42 CO -0.07 0.53 -0.34 0.00 0.00 0.00 0.00 179.25 179.37 1jhf h ALA 43 N 1.37 0.77 -0.55 0.00 0.00 -1.31 -3.03 119.26 116.51 1jhf h ALA 43 Ca 0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jhf h ALA 43 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jhf h ALA 43 CO -0.01 0.65 0.32 1.49 0.00 0.00 0.00 179.25 181.71 1jhf h GLU 44 N 0.63 0.74 -0.48 0.00 4.57 -0.91 -2.18 114.58 116.95 1jhf h GLU 44 Ca 0.06 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1jhf h GLU 44 Cb 0.87 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1jhf h GLU 44 CO 0.08 0.53 0.19 0.93 -1.18 0.00 0.00 179.01 179.55 1jhf h GLU 45 N 0.75 0.72 -0.30 1.92 5.08 -1.36 -1.22 114.58 120.16 1jhf h GLU 45 Ca 0.20 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1jhf h GLU 45 Cb -0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1jhf h GLU 45 CO -0.04 0.64 -0.22 0.45 -1.00 0.00 0.00 179.01 178.85 1jhf h HIS 46 N 0.63 0.63 -0.47 4.33 3.86 -1.50 -2.68 115.15 119.96 1jhf h HIS 46 Ca 0.16 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1jhf h HIS 46 Cb 0.19 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1jhf h HIS 46 CO 0.00 0.74 -0.04 -0.07 0.86 0.00 0.00 177.93 179.43 1jhf h LEU 47 N 0.50 0.77 -0.77 2.43 3.38 -1.09 -1.98 115.31 118.56 1jhf h LEU 47 Ca 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1jhf h LEU 47 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jhf h LEU 47 CO 0.05 0.86 0.33 0.11 0.09 0.00 0.00 178.44 179.88 1jhf h LYS 48 N 0.74 1.13 -0.45 1.13 1.57 -0.91 -1.72 116.57 118.05 1jhf h LYS 48 Ca 0.14 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1jhf h LYS 48 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1jhf h LYS 48 CO 0.03 0.91 -0.08 0.00 -0.57 0.00 0.00 179.45 179.74 1jhf h ALA 49 N 1.17 1.01 -0.33 3.86 0.00 -1.16 -1.40 119.26 122.41 1jhf h ALA 49 Ca 0.26 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1jhf h ALA 49 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jhf h ALA 49 CO -0.03 0.60 -0.27 -0.07 0.00 0.00 0.00 179.25 179.48 1jhf h LEU 50 N 0.73 0.70 -0.37 0.00 3.38 -1.00 -1.49 115.31 117.26 1jhf h LEU 50 Ca 0.13 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1jhf h LEU 50 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1jhf h LEU 50 CO 0.03 0.94 -0.22 0.00 0.09 0.00 0.00 178.44 179.29 1jhf h ALA 51 N 1.10 0.52 -0.24 1.53 0.00 -1.15 -2.26 119.26 118.77 1jhf h ALA 51 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1jhf h ALA 51 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jhf h ALA 51 CO 0.06 0.50 0.10 -0.09 0.00 0.00 0.00 179.25 179.82 1jhf h ARG 52 N 0.60 0.33 -0.19 0.00 2.43 -1.08 -0.42 114.38 116.04 1jhf h ARG 52 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1jhf h ARG 52 Cb 0.78 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1jhf h ARG 52 CO 0.06 0.27 0.00 1.63 -1.51 0.00 0.00 179.97 180.42 1jhf n LYS 53 N -4.45 1.72 -1.06 0.20 5.02 -0.58 -4.95 118.16 114.07 1jhf n LYS 53 Ca 0.01 -1.09 -0.02 0.00 -2.02 0.00 0.00 58.31 55.18 1jhf n LYS 53 Cb 0.12 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1jhf n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jhf n GLY 54 N 1.11 0.51 0.08 0.72 0.00 -0.17 -4.92 105.19 102.53 1jhf n GLY 54 Ca 0.16 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1jhf n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1jhf h VAL 55 N 0.00 0.00 -4.20 1.61 -1.51 -1.64 -3.43 116.25 107.07 1jhf h VAL 55 Ca -0.04 -0.63 -0.16 0.00 -1.23 0.00 0.00 66.70 64.64 1jhf h VAL 55 Cb 0.33 1.20 -0.13 0.00 -2.13 0.00 0.00 31.29 30.55 1jhf h VAL 55 CO 0.06 0.00 -0.47 0.27 -1.23 0.00 0.00 177.57 176.19 1jhf s ILE 56 N -3.22 0.05 -0.03 7.19 -4.36 -1.24 -2.17 121.20 117.43 1jhf s ILE 56 Ca 0.05 -1.70 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 1jhf s ILE 56 Cb 0.12 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 1jhf s ILE 56 CO 0.74 -0.24 -0.17 -0.70 0.24 0.00 0.00 174.94 174.81 1jhf s GLU 57 N -4.05 1.53 -0.20 0.37 2.12 0.12 -4.30 118.70 114.30 1jhf s GLU 57 Ca 0.25 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1jhf s GLU 57 Cb 0.05 -1.41 -0.01 0.00 0.26 0.00 0.00 34.13 33.02 1jhf s GLU 57 CO 0.05 0.31 -0.05 0.42 -0.54 0.00 0.00 175.26 175.44 1jhf s ILE 58 N -0.19 3.43 -0.19 -3.70 1.01 -1.26 -1.86 121.20 118.42 1jhf s ILE 58 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1jhf s ILE 58 Cb -0.09 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1jhf s ILE 58 CO 0.01 0.45 -0.12 0.68 0.00 0.00 0.00 174.94 175.95 1jhf s VAL 59 N 1.12 2.72 0.38 2.92 -7.23 -0.94 -5.06 120.40 114.31 1jhf s VAL 59 Ca 0.01 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.20 1jhf s VAL 59 Cb -0.15 -2.19 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 1jhf s VAL 59 CO -0.01 0.49 1.28 -0.55 -0.31 0.00 0.00 175.10 176.00 1jhf s SER 60 N 1.30 6.49 0.00 4.85 0.15 -1.26 -4.64 113.70 120.59 1jhf s SER 60 Ca 0.04 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1jhf s SER 60 Cb -0.14 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1jhf s SER 60 CO -0.07 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1jhf n GLY 61 N 0.71 0.45 3.31 9.45 0.00 -1.26 -5.11 105.19 112.75 1jhf n GLY 61 Ca 0.03 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1jhf n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhf n ALA 62 N -1.00 -3.27 -1.67 4.61 0.00 -1.26 -4.93 120.51 112.99 1jhf n ALA 62 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.51 1jhf n ALA 62 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 19.45 17.84 1jhf n ALA 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jhf s SER 63 N -1.69 5.55 -0.79 0.00 1.04 -1.26 -3.73 113.70 112.82 1jhf s SER 63 Ca 0.53 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 1jhf s SER 63 Cb -0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1jhf s SER 63 CO 0.71 -1.33 0.68 0.54 0.98 0.00 0.00 173.24 174.82 1jhf n ARG 64 N -1.75 -4.56 -2.22 4.02 1.74 -1.26 -4.95 116.66 107.68 1jhf n ARG 64 Ca 0.11 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.28 1jhf n ARG 64 Cb 0.52 -4.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 1jhf n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhf n GLY 65 N -1.32 5.37 3.24 -0.13 0.00 -1.24 -4.71 105.19 106.39 1jhf n GLY 65 Ca -0.04 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1jhf n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhf s ILE 66 N -1.74 1.82 -0.00 -0.61 1.01 -1.26 -2.21 121.20 118.21 1jhf s ILE 66 Ca 0.48 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1jhf s ILE 66 Cb 0.17 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1jhf s ILE 66 CO -0.08 0.51 -0.09 -0.60 0.00 0.00 0.00 174.94 174.68 1jhf s ARG 67 N -0.27 0.75 0.29 2.79 3.52 -0.78 -4.77 118.95 120.48 1jhf s ARG 67 Ca 0.01 -0.36 -0.20 0.00 -0.13 0.00 0.00 55.73 55.05 1jhf s ARG 67 Cb -0.11 -0.73 -0.09 0.00 -1.56 0.00 0.00 34.95 32.46 1jhf s ARG 67 CO 0.02 0.20 0.79 -0.51 -0.81 0.00 0.00 175.30 174.98 1jhf s LEU 68 N -0.29 4.24 0.28 -0.88 1.43 -1.26 -0.70 118.68 121.49 1jhf s LEU 68 Ca 0.03 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1jhf s LEU 68 Cb -0.04 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 1jhf s LEU 68 CO -0.00 -0.08 -0.11 -0.76 0.23 0.00 0.00 176.35 175.63 1jhf s LEU 69 N -2.35 2.56 -1.41 1.79 1.43 -0.92 -4.82 118.68 114.96 1jhf s LEU 69 Ca 0.49 -1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1jhf s LEU 69 Cb -0.15 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1jhf s LEU 69 CO 0.20 -0.22 0.72 0.00 0.23 0.00 0.00 176.35 177.28 1jhf n GLN 70 N -0.59 -4.60 0.10 1.70 6.02 -1.26 -4.80 117.38 113.94 1jhf n GLN 70 Ca -0.06 0.55 -0.05 0.00 -0.01 0.00 0.00 57.00 57.43 1jhf n GLN 70 Cb 0.62 -5.11 0.11 0.00 1.02 0.00 0.00 30.24 26.88 1jhf n GLN 70 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1jhf h GLU 71 N -1.90 0.17 -6.51 -1.09 5.08 -1.96 -3.44 114.58 104.93 1jhf h GLU 71 Ca -0.61 -0.13 -0.53 0.00 -1.00 0.00 0.00 59.36 57.10 1jhf h GLU 71 Cb 1.37 0.02 0.03 0.00 0.50 0.00 0.00 28.75 30.67 1jhf h GLU 71 CO 0.62 0.77 0.92 -1.21 -1.00 0.00 0.00 179.01 179.10 1jhf s GLU 72 N -3.61 4.22 0.09 2.33 2.02 -1.26 -5.01 118.70 117.48 1jhf s GLU 72 Ca -0.03 2.29 0.08 0.00 0.02 0.00 0.00 54.97 57.32 1jhf s GLU 72 Cb 0.12 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 1jhf s GLU 72 CO 0.79 -0.65 -0.20 -1.21 0.02 0.00 0.00 175.26 174.02 1jhf s GLU 73 N 1.95 1.12 0.17 1.61 0.41 -1.26 -5.13 118.70 117.56 1jhf s GLU 73 Ca 0.71 -1.09 -0.22 0.00 -0.41 0.00 0.00 54.97 53.96 1jhf s GLU 73 Cb -0.40 -1.32 -0.08 0.00 -1.78 0.00 0.00 34.13 30.55 1jhf s GLU 73 CO 0.31 0.31 0.72 -1.21 -0.49 0.00 0.00 175.26 174.90 1jhf s GLU 74 N -1.75 4.38 1.80 1.61 2.02 -1.26 -4.91 118.70 120.59 1jhf s GLU 74 Ca 0.05 0.97 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1jhf s GLU 74 Cb -0.10 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1jhf s GLU 74 CO 0.04 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1jhf n GLY 75 N 1.30 -1.01 2.85 -1.39 0.00 -1.26 -4.91 105.19 100.77 1jhf n GLY 75 Ca -0.05 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1jhf n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhf s LEU 76 N 0.00 1.48 0.42 0.99 1.43 0.04 -4.85 118.68 118.19 1jhf s LEU 76 Ca 0.00 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1jhf s LEU 76 Cb 0.00 -0.18 -0.11 0.00 0.03 0.00 0.00 46.19 45.94 1jhf s LEU 76 CO 0.00 -0.05 0.95 -2.16 0.23 0.00 0.00 176.35 175.32 1jhf s PRO 77 N 0.62 4.25 -0.22 1.29 0.04 -1.26 0.02 135.00 139.73 1jhf s PRO 77 Ca -0.06 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 1jhf s PRO 77 Cb -0.09 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1jhf s PRO 77 CO -0.01 -0.02 0.04 -1.17 0.04 0.00 0.00 177.00 175.89 1jhf s LEU 78 N -3.07 3.45 -0.20 -3.56 2.96 0.02 -1.56 118.68 116.73 1jhf s LEU 78 Ca 0.61 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.25 1jhf s LEU 78 Cb -0.10 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1jhf s LEU 78 CO 0.15 0.04 0.24 -0.69 -1.32 0.00 0.00 176.35 174.77 1jhf s VAL 79 N 1.13 5.32 0.00 1.68 1.01 0.22 -1.30 120.40 128.47 1jhf s VAL 79 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1jhf s VAL 79 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jhf s VAL 79 CO 0.03 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1jhf n GLY 80 N 3.81 1.76 3.74 4.51 0.00 -0.48 -1.85 105.19 116.68 1jhf n GLY 80 Ca -0.13 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1jhf n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jhf s ARG 81 N 4.58 4.24 -0.18 1.61 3.52 -1.26 -4.77 118.95 126.69 1jhf s ARG 81 Ca 0.00 2.33 -0.09 0.00 -0.13 0.00 0.00 55.73 57.85 1jhf s ARG 81 Cb 0.00 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 1jhf s ARG 81 CO 0.00 -0.47 0.12 0.08 -0.81 0.00 0.00 175.30 174.21 1jhf s VAL 82 N 0.22 5.28 0.29 7.11 1.01 -1.26 -4.76 120.40 128.30 1jhf s VAL 82 Ca 0.62 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.66 1jhf s VAL 82 Cb -0.43 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1jhf s VAL 82 CO 0.41 0.48 0.60 0.00 0.00 0.00 0.00 175.10 176.59 1jhf s ALA 83 N 0.11 3.54 0.64 5.51 0.00 -1.26 -4.94 121.76 125.37 1jhf s ALA 83 Ca 0.08 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 1jhf s ALA 83 Cb -0.11 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 1jhf s ALA 83 CO -0.01 0.28 1.25 0.00 0.00 0.00 0.00 175.76 177.28 1jhf s ALA 84 N -2.06 2.39 -1.97 0.00 0.00 -1.26 -3.01 121.76 115.86 1jhf s ALA 84 Ca 0.47 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1jhf s ALA 84 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1jhf s ALA 84 CO 0.27 -1.49 0.00 -0.25 0.00 0.00 0.00 175.76 174.29 1jhf n ASP 85 N -1.93 -5.59 -4.07 0.00 10.43 -1.26 -4.99 116.55 109.14 1jhf n ASP 85 Ca 0.15 0.26 -0.18 0.00 2.57 0.00 0.00 54.79 57.59 1jhf n ASP 85 Cb 0.49 -4.80 -0.14 0.00 1.84 0.00 0.00 41.12 38.51 1jhf n ASP 85 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1jhf s GLU 86 N -4.36 0.75 0.74 -1.24 0.41 -1.16 -5.14 118.70 108.68 1jhf s GLU 86 Ca 0.00 -0.54 -0.12 0.00 -0.41 0.00 0.00 54.97 53.90 1jhf s GLU 86 Cb 0.00 -0.70 0.04 0.00 -1.78 0.00 0.00 34.13 31.69 1jhf s GLU 86 CO 0.00 0.18 1.11 -1.25 -0.49 0.00 0.00 175.26 174.80 1jhf s PRO 87 N -0.76 2.38 0.22 0.39 0.04 -1.26 -4.82 135.00 131.19 1jhf s PRO 87 Ca 0.00 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1jhf s PRO 87 Cb -0.06 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.89 1jhf s PRO 87 CO 0.00 -1.56 1.76 1.25 0.04 0.00 0.00 177.00 178.49 1jhf h LEU 88 N -0.72 0.32 -2.73 -3.56 5.85 -1.95 -1.90 115.31 110.62 1jhf h LEU 88 Ca -0.45 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.18 1jhf h LEU 88 Cb 1.24 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 1jhf h LEU 88 CO 0.52 0.18 0.22 0.18 -0.34 0.00 0.00 178.44 179.19 1jhf n LEU 89 N -4.94 4.32 -4.77 2.25 4.77 -1.26 -4.86 117.00 112.51 1jhf n LEU 89 Ca 0.10 -2.24 -0.41 0.00 -0.03 0.00 0.00 56.01 53.43 1jhf n LEU 89 Cb 0.28 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1jhf n LEU 89 CO 0.23 0.66 1.11 0.00 -1.33 0.00 0.00 177.39 178.06 1jhf n ALA 90 N -0.10 2.24 -0.13 -1.18 0.00 -0.72 -4.87 120.51 115.74 1jhf n ALA 90 Ca 0.24 0.31 0.18 0.00 0.00 0.00 0.00 53.44 54.17 1jhf n ALA 90 Cb 0.95 -2.41 0.56 0.00 0.00 0.00 0.00 19.45 18.56 1jhf n ALA 90 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jhf h GLN 91 N 2.72 0.28 0.00 0.00 1.08 -1.91 -0.42 115.11 116.86 1jhf h GLN 91 Ca -0.51 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1jhf h GLN 91 Cb 1.25 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1jhf h GLN 91 CO 0.63 0.18 0.00 0.00 -0.95 0.00 0.00 178.83 178.69 1jhf n GLN 92 N -4.44 0.14 0.06 1.46 10.64 -1.26 -2.36 117.38 121.62 1jhf n GLN 92 Ca 0.14 0.42 0.11 0.00 -1.83 0.00 0.00 57.00 55.85 1jhf n GLN 92 Cb 0.59 -1.80 0.02 0.00 -0.86 0.00 0.00 30.24 28.18 1jhf n GLN 92 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1jhf n HIS 93 N -2.07 0.60 -2.64 2.61 8.25 -0.17 -4.89 115.22 116.92 1jhf n HIS 93 Ca 0.02 0.18 -0.43 0.00 -0.26 0.00 0.00 57.72 57.22 1jhf n HIS 93 Cb 0.18 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 30.55 1jhf n HIS 93 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jhf s ILE 94 N -3.30 4.48 -0.13 1.59 -1.09 -0.99 -1.38 121.20 120.38 1jhf s ILE 94 Ca 0.01 1.69 0.17 0.00 -2.23 0.00 0.00 60.65 60.28 1jhf s ILE 94 Cb 0.12 -4.43 -0.11 0.00 -1.58 0.00 0.00 42.46 36.46 1jhf s ILE 94 CO 0.80 -0.53 0.90 -0.33 -1.23 0.00 0.00 174.94 174.55 1jhf h GLU 95 N 8.19 0.00 0.00 2.79 5.08 -1.52 -3.49 114.58 125.63 1jhf h GLU 95 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jhf h GLU 95 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1jhf h GLU 95 CO 1.04 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 179.77 1jhf n GLY 96 N 1.37 -1.40 3.01 -3.84 0.00 -1.26 -5.01 105.19 98.07 1jhf n GLY 96 Ca -0.08 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1jhf n GLY 96 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jhf s HIS 97 N -2.46 1.73 -0.16 1.61 3.76 -1.26 -0.80 115.29 117.71 1jhf s HIS 97 Ca 0.00 -0.78 -0.08 0.00 -0.15 0.00 0.00 55.06 54.05 1jhf s HIS 97 Cb 0.00 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 1jhf s HIS 97 CO 0.00 -0.43 0.12 0.71 -0.85 0.00 0.00 174.74 174.29 1jhf s TYR 98 N 1.05 3.46 -1.09 1.40 1.51 0.10 -4.91 117.35 118.87 1jhf s TYR 98 Ca -0.06 0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 56.19 1jhf s TYR 98 Cb -0.15 -2.03 0.11 0.00 -0.11 0.00 0.00 41.96 39.78 1jhf s TYR 98 CO -0.02 0.48 1.39 -0.65 -1.11 0.00 0.00 175.55 175.64 1jhf s GLN 99 N -0.31 3.79 -0.05 -0.62 -1.52 -1.26 -0.78 119.66 118.92 1jhf s GLN 99 Ca 0.11 -1.86 0.02 0.00 -1.95 0.00 0.00 55.36 51.67 1jhf s GLN 99 Cb -0.12 -5.17 0.01 0.00 -0.22 0.00 0.00 33.01 27.52 1jhf s GLN 99 CO 0.01 -1.96 -0.09 0.08 -0.25 0.00 0.00 175.29 173.08 1jhf s VAL 100 N 3.22 0.84 -0.21 1.09 1.01 -1.26 -5.02 120.40 120.07 1jhf s VAL 100 Ca 0.42 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1jhf s VAL 100 Cb -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1jhf s VAL 100 CO -0.04 0.28 2.11 -0.62 0.00 0.00 0.00 175.10 176.83 1jhf s ASP 101 N 0.58 5.65 0.54 3.32 3.68 -1.26 -4.37 116.67 124.82 1jhf s ASP 101 Ca -0.10 1.88 0.24 0.00 2.13 0.00 0.00 52.55 56.69 1jhf s ASP 101 Cb -0.13 -2.52 1.52 0.00 -1.45 0.00 0.00 42.92 40.34 1jhf s ASP 101 CO 0.02 -1.81 2.17 -0.65 0.13 0.00 0.00 175.17 175.03 1jhf h PRO 102 N 14.13 0.00 0.00 4.34 0.11 -1.88 -2.48 132.00 146.22 1jhf h PRO 102 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jhf h PRO 102 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jhf h PRO 102 CO 0.97 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.67 1jhf n SER 103 N -4.06 0.00 0.24 -2.05 3.41 -1.26 -2.61 113.62 107.29 1jhf n SER 103 Ca -0.03 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.70 1jhf n SER 103 Cb 0.13 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.61 1jhf n SER 103 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jhf h LEU 104 N 0.00 0.00 -9.77 1.04 3.38 -1.85 -3.44 115.31 104.68 1jhf h LEU 104 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1jhf h LEU 104 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1jhf h LEU 104 CO 0.00 0.16 -0.56 -0.36 0.09 0.00 0.00 178.44 177.77 1jhf s PHE 105 N -3.69 3.26 -0.09 1.13 0.40 -1.16 -5.10 117.98 112.73 1jhf s PHE 105 Ca 0.00 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1jhf s PHE 105 Cb 0.10 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1jhf s PHE 105 CO 0.61 0.53 0.00 0.21 0.70 0.00 0.00 175.22 177.27 1jhf s LYS 106 N -2.75 0.64 1.07 0.44 2.47 -1.26 -2.99 119.74 117.36 1jhf s LYS 106 Ca 0.31 0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.64 1jhf s LYS 106 Cb -0.11 -1.11 0.23 0.00 -1.46 0.00 0.00 37.83 35.37 1jhf s LYS 106 CO 0.24 -0.34 1.07 -2.14 0.16 0.00 0.00 175.35 174.34 1jhf s PRO 107 N 1.95 -0.14 0.57 4.03 0.02 -1.26 -4.93 135.00 135.23 1jhf s PRO 107 Ca 0.04 0.97 -0.21 0.00 0.02 0.00 0.00 61.00 61.83 1jhf s PRO 107 Cb -0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 1jhf s PRO 107 CO -0.06 -3.24 1.29 0.09 -0.33 0.00 0.00 177.00 174.75 1jhf n ASN 108 N -4.59 2.30 -4.80 2.53 5.03 -1.16 -4.88 115.26 109.69 1jhf n ASN 108 Ca 0.06 0.93 -0.35 0.00 0.87 0.00 0.00 54.58 56.09 1jhf n ASN 108 Cb 0.54 -1.54 -0.07 0.00 -1.02 0.00 0.00 39.78 37.69 1jhf n ASN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jhf s ALA 109 N -1.33 3.14 -0.06 5.41 0.00 -1.07 -4.46 121.76 123.39 1jhf s ALA 109 Ca 0.74 0.44 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1jhf s ALA 109 Cb -0.41 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1jhf s ALA 109 CO 0.47 0.16 0.09 -0.25 0.00 0.00 0.00 175.76 176.23 1jhf n ASP 110 N 0.00 2.88 -3.71 0.00 9.92 -0.09 -4.83 116.55 120.72 1jhf n ASP 110 Ca 0.04 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.25 1jhf n ASP 110 Cb 0.52 0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 41.93 1jhf n ASP 110 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1jhf s PHE 111 N -2.35 -0.19 0.03 1.24 -0.71 -1.16 -4.52 117.98 110.31 1jhf s PHE 111 Ca -0.04 -0.10 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 1jhf s PHE 111 Cb 0.04 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.44 1jhf s PHE 111 CO 0.36 -0.81 -0.07 -0.51 -1.34 0.00 0.00 175.22 172.85 1jhf s LEU 112 N -2.85 3.16 -0.08 -1.99 1.43 -0.60 -1.22 118.68 116.53 1jhf s LEU 112 Ca 0.10 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1jhf s LEU 112 Cb -0.02 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1jhf s LEU 112 CO 0.00 0.26 -0.08 -0.22 0.23 0.00 0.00 176.35 176.54 1jhf s LEU 113 N -1.62 1.34 0.09 1.79 2.96 -0.08 -0.61 118.68 122.55 1jhf s LEU 113 Ca 0.18 -0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 53.54 1jhf s LEU 113 Cb -0.11 -0.72 -0.07 0.00 0.50 0.00 0.00 46.19 45.79 1jhf s LEU 113 CO 0.09 -0.05 1.38 -0.60 -1.32 0.00 0.00 176.35 175.85 1jhf s ARG 114 N 1.16 4.32 0.11 1.98 3.52 -0.77 -0.95 118.95 128.31 1jhf s ARG 114 Ca -0.06 2.03 -0.25 0.00 -0.13 0.00 0.00 55.73 57.33 1jhf s ARG 114 Cb -0.14 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.85 1jhf s ARG 114 CO -0.02 -0.45 0.75 0.08 -0.81 0.00 0.00 175.30 174.85 1jhf s VAL 115 N 1.38 4.55 -0.19 7.11 1.01 -0.17 -4.95 120.40 129.14 1jhf s VAL 115 Ca 0.64 1.63 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 1jhf s VAL 115 Cb -0.35 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1jhf s VAL 115 CO 0.29 0.46 -0.07 -0.55 0.00 0.00 0.00 175.10 175.23 1jhf s SER 116 N -0.69 4.20 0.00 3.32 0.15 -1.26 -1.06 113.70 118.36 1jhf s SER 116 Ca 0.36 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1jhf s SER 116 Cb -0.22 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1jhf s SER 116 CO 0.24 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1jhf n GLY 117 N 4.44 -0.72 1.70 9.45 0.00 -1.26 -4.74 105.19 114.06 1jhf n GLY 117 Ca -0.18 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1jhf n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jhf n MET 118 N -0.81 4.29 0.25 1.61 2.81 -1.26 -2.84 117.12 121.17 1jhf n MET 118 Ca 0.00 -3.03 0.18 0.00 -1.81 0.00 0.00 57.70 53.04 1jhf n MET 118 Cb 0.00 -2.08 0.89 0.00 -0.71 0.00 0.00 33.22 31.32 1jhf n MET 118 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1jhf h SER 119 N 3.91 0.00 -0.08 7.83 4.64 -1.87 -2.37 113.55 125.62 1jhf h SER 119 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1jhf h SER 119 Cb 1.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 1jhf h SER 119 CO 0.36 0.00 -0.22 0.23 -0.87 0.00 0.00 176.83 176.33 1jhf n MET 120 N -3.43 1.65 0.26 4.77 2.81 -1.26 -0.57 117.12 121.35 1jhf n MET 120 Ca 0.00 -3.00 0.11 0.00 -1.81 0.00 0.00 57.70 53.00 1jhf n MET 120 Cb 0.33 -1.63 0.70 0.00 -0.71 0.00 0.00 33.22 31.91 1jhf n MET 120 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1jhf h LYS 121 N 0.74 0.00 0.00 0.03 2.10 -1.26 -2.74 116.57 115.44 1jhf h LYS 121 Ca 0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1jhf h LYS 121 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1jhf h LYS 121 CO 0.08 0.11 -0.07 -0.44 -2.00 0.00 0.00 179.45 177.13 1jhf h ASP 122 N 0.00 0.00 -0.51 7.07 3.32 -1.20 -0.92 116.42 124.19 1jhf h ASP 122 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jhf h ASP 122 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jhf h ASP 122 CO 0.01 0.07 0.00 2.30 -1.72 0.00 0.00 179.24 179.90 1jhf n ILE 123 N -3.52 1.84 -0.72 0.35 -5.35 -1.05 -4.97 119.36 105.94 1jhf n ILE 123 Ca -0.02 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 1jhf n ILE 123 Cb 0.19 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1jhf n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhf n GLY 124 N 0.63 0.60 3.37 3.28 0.00 -0.35 -5.04 105.19 107.69 1jhf n GLY 124 Ca 0.22 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1jhf n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhf s ILE 125 N -2.00 4.76 0.29 -0.61 1.01 -1.10 -5.00 121.20 118.56 1jhf s ILE 125 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.73 1jhf s ILE 125 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1jhf s ILE 125 CO 0.00 -0.39 0.30 -0.04 0.00 0.00 0.00 174.94 174.81 1jhf s MET 126 N 1.57 2.95 0.23 2.79 -1.94 -1.26 -2.83 119.30 120.81 1jhf s MET 126 Ca 0.03 -1.09 -0.32 0.00 -1.71 0.00 0.00 55.69 52.60 1jhf s MET 126 Cb -0.21 -2.62 -0.13 0.00 2.01 0.00 0.00 34.83 33.88 1jhf s MET 126 CO 0.06 0.24 1.53 -3.47 -0.01 0.00 0.00 175.02 173.37 1jhf n ASP 127 N -1.35 3.22 0.00 3.03 2.03 -1.13 -1.84 116.55 120.51 1jhf n ASP 127 Ca -0.05 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1jhf n ASP 127 Cb 0.58 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1jhf n ASP 127 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhf n GLY 128 N 2.67 1.50 3.75 0.27 0.00 -0.22 -4.95 105.19 108.22 1jhf n GLY 128 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1jhf n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhf s ASP 129 N -2.82 4.55 -0.39 1.61 1.01 -0.77 -4.66 116.67 115.21 1jhf s ASP 129 Ca 0.00 2.00 -0.12 0.00 0.71 0.00 0.00 52.55 55.14 1jhf s ASP 129 Cb 0.00 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1jhf s ASP 129 CO 0.00 -2.01 0.24 -0.76 0.21 0.00 0.00 175.17 172.85 1jhf s LEU 130 N -5.47 4.88 -0.07 1.23 1.43 -0.14 -1.00 118.68 119.54 1jhf s LEU 130 Ca 0.66 -1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 1jhf s LEU 130 Cb -0.20 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1jhf s LEU 130 CO 0.49 -0.42 0.84 -0.22 0.23 0.00 0.00 176.35 177.27 1jhf s LEU 131 N 1.58 4.30 -0.08 1.79 2.96 -0.13 -0.83 118.68 128.26 1jhf s LEU 131 Ca 0.03 1.36 -0.26 0.00 -0.22 0.00 0.00 54.13 55.04 1jhf s LEU 131 Cb -0.20 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1jhf s LEU 131 CO 0.07 -0.25 0.83 0.00 -1.32 0.00 0.00 176.35 175.68 1jhf s ALA 132 N 1.25 3.35 -0.04 5.97 0.00 -0.25 -0.90 121.76 131.14 1jhf s ALA 132 Ca 0.43 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1jhf s ALA 132 Cb -0.19 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1jhf s ALA 132 CO 0.20 -0.33 -0.18 0.08 0.00 0.00 0.00 175.76 175.53 1jhf s VAL 133 N 1.34 1.48 -0.30 0.00 1.01 -0.36 -1.11 120.40 122.47 1jhf s VAL 133 Ca 0.42 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1jhf s VAL 133 Cb -0.18 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1jhf s VAL 133 CO 0.19 0.42 0.20 -2.28 0.00 0.00 0.00 175.10 173.63 1jhf s HIS 134 N -0.01 3.21 -0.13 5.22 5.04 -0.21 -0.91 115.29 127.49 1jhf s HIS 134 Ca -0.03 -0.05 -0.29 0.00 -1.54 0.00 0.00 55.06 53.14 1jhf s HIS 134 Cb -0.11 -2.40 -0.04 0.00 0.04 0.00 0.00 32.58 30.07 1jhf s HIS 134 CO 0.02 -0.25 1.61 0.21 -2.34 0.00 0.00 174.74 173.99 1jhf s LYS 135 N 1.73 4.01 -0.05 2.88 2.20 -1.26 -1.28 119.74 127.96 1jhf s LYS 135 Ca 0.07 1.92 -0.31 0.00 -0.36 0.00 0.00 55.97 57.29 1jhf s LYS 135 Cb -0.16 -3.99 0.11 0.00 -1.51 0.00 0.00 37.83 32.28 1jhf s LYS 135 CO 0.10 -1.04 1.02 -0.08 -0.36 0.00 0.00 175.35 174.99 1jhf s THR 136 N 4.53 0.00 -0.59 3.43 -1.32 -1.19 -4.96 115.64 115.54 1jhf s THR 136 Ca 0.71 -0.06 0.06 0.00 -1.21 0.00 0.00 61.69 61.19 1jhf s THR 136 Cb -0.29 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1jhf s THR 136 CO 0.28 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 173.22 1jhf n GLN 137 N -0.22 1.81 -3.06 7.08 3.00 -1.26 -3.12 117.38 121.60 1jhf n GLN 137 Ca -0.06 -0.55 -0.45 0.00 -0.01 0.00 0.00 57.00 55.94 1jhf n GLN 137 Cb 0.61 -0.99 -0.01 0.00 0.00 0.00 0.00 30.24 29.85 1jhf n GLN 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jhf s ASP 138 N -0.88 6.90 0.37 1.08 2.15 -1.26 -4.98 116.67 120.04 1jhf s ASP 138 Ca 0.05 -2.69 0.08 0.00 0.43 0.00 0.00 52.55 50.42 1jhf s ASP 138 Cb 0.05 -2.34 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 1jhf s ASP 138 CO 0.13 -0.76 -0.04 0.68 -0.17 0.00 0.00 175.17 175.01 1jhf s VAL 139 N 1.31 2.05 0.16 1.11 -7.23 -1.26 -5.05 120.40 111.48 1jhf s VAL 139 Ca 0.33 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 1jhf s VAL 139 Cb -0.06 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1jhf s VAL 139 CO -0.06 -0.11 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.37 1jhf s ARG 140 N -3.68 1.13 0.37 4.82 0.52 -1.26 -5.10 118.95 115.74 1jhf s ARG 140 Ca 0.34 -1.44 -0.26 0.00 -0.52 0.00 0.00 55.73 53.85 1jhf s ARG 140 Cb 0.06 -0.83 -0.12 0.00 0.52 0.00 0.00 34.95 34.58 1jhf s ARG 140 CO 0.17 0.13 1.03 0.09 0.02 0.00 0.00 175.30 176.74 1jhf n ASN 141 N -0.06 1.39 0.00 0.23 5.03 -1.26 -2.26 115.26 118.32 1jhf n ASN 141 Ca -0.11 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.44 1jhf n ASN 141 Cb 0.60 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 1jhf n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jhf n GLY 142 N 1.16 1.92 3.89 7.41 0.00 0.16 -4.98 105.19 114.75 1jhf n GLY 142 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1jhf n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jhf s GLN 143 N -0.37 3.73 -0.27 1.61 -0.21 -0.96 -4.76 119.66 118.44 1jhf s GLN 143 Ca 0.00 0.24 -0.24 0.00 0.02 0.00 0.00 55.36 55.37 1jhf s GLN 143 Cb 0.00 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 1jhf s GLN 143 CO 0.00 0.16 0.83 0.08 -2.12 0.00 0.00 175.29 174.24 1jhf s VAL 144 N -2.10 4.80 0.34 1.09 1.01 -1.26 -1.77 120.40 122.51 1jhf s VAL 144 Ca 0.47 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1jhf s VAL 144 Cb -0.11 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1jhf s VAL 144 CO 0.28 -0.16 -0.05 0.68 0.00 0.00 0.00 175.10 175.85 1jhf s VAL 145 N 2.93 1.91 -0.24 2.92 -7.23 -0.10 -2.11 120.40 118.48 1jhf s VAL 145 Ca 0.35 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1jhf s VAL 145 Cb -0.15 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1jhf s VAL 145 CO 0.10 -0.17 0.04 -0.69 -0.31 0.00 0.00 175.10 174.06 1jhf s VAL 146 N -2.82 4.09 0.18 1.32 1.01 -0.56 -2.21 120.40 121.41 1jhf s VAL 146 Ca 0.32 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1jhf s VAL 146 Cb 0.05 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1jhf s VAL 146 CO 0.15 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1jhf s ALA 147 N 1.50 1.54 -0.12 5.51 0.00 -0.64 -0.51 121.76 129.04 1jhf s ALA 147 Ca 0.06 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1jhf s ALA 147 Cb -0.15 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1jhf s ALA 147 CO 0.02 -0.20 -0.13 0.50 0.00 0.00 0.00 175.76 175.95 1jhf s ARG 148 N -3.82 2.07 -0.29 0.00 3.52 -0.07 -0.98 118.95 119.38 1jhf s ARG 148 Ca 0.22 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1jhf s ARG 148 Cb 0.04 -1.86 0.04 0.00 -1.56 0.00 0.00 34.95 31.61 1jhf s ARG 148 CO 0.04 -0.14 0.01 0.42 -0.81 0.00 0.00 175.30 174.81 1jhf s ILE 149 N 1.23 3.21 -1.44 4.11 1.01 0.23 -1.98 121.20 127.57 1jhf s ILE 149 Ca -0.02 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 1jhf s ILE 149 Cb -0.14 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1jhf s ILE 149 CO -0.05 -0.00 0.39 0.47 0.00 0.00 0.00 174.94 175.74 1jhf n ASP 150 N 4.70 -0.30 0.00 3.58 8.00 -0.06 -0.86 116.55 131.62 1jhf n ASP 150 Ca -0.14 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1jhf n ASP 150 Cb 0.45 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 1jhf n ASP 150 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jhf n ASP 151 N -2.96 0.00 -4.72 -2.24 9.92 -1.26 -4.98 116.55 110.31 1jhf n ASP 151 Ca -0.30 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.54 1jhf n ASP 151 Cb 0.68 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 41.05 1jhf n ASP 151 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1jhf s GLU 152 N 0.00 4.32 -0.01 -1.24 2.02 -0.03 -4.86 118.70 118.88 1jhf s GLU 152 Ca 0.00 2.09 -0.13 0.00 0.02 0.00 0.00 54.97 56.95 1jhf s GLU 152 Cb 0.00 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1jhf s GLU 152 CO 0.00 -0.44 0.36 0.08 0.02 0.00 0.00 175.26 175.28 1jhf s VAL 153 N 1.08 5.12 0.07 2.63 1.01 -1.26 -0.60 120.40 128.45 1jhf s VAL 153 Ca 0.65 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 1jhf s VAL 153 Cb -0.37 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1jhf s VAL 153 CO 0.30 0.56 0.22 0.28 0.00 0.00 0.00 175.10 176.46 1jhf s THR 154 N -1.10 0.12 -0.25 3.92 -1.32 -0.15 -5.00 115.64 111.86 1jhf s THR 154 Ca 0.23 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.72 1jhf s THR 154 Cb -0.16 -1.16 0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1jhf s THR 154 CO 0.12 -0.55 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.19 1jhf s VAL 155 N -3.32 2.42 0.29 5.08 1.01 -1.26 -1.61 120.40 123.01 1jhf s VAL 155 Ca 0.01 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 1jhf s VAL 155 Cb 0.02 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1jhf s VAL 155 CO -0.08 0.10 0.46 -0.54 0.00 0.00 0.00 175.10 175.04 1jhf s LYS 156 N 1.20 1.72 -0.07 2.72 -0.14 -0.94 -4.83 119.74 119.39 1jhf s LYS 156 Ca -0.04 -1.53 -0.16 0.00 -1.36 0.00 0.00 55.97 52.88 1jhf s LYS 156 Cb -0.18 0.45 -0.05 0.00 -1.68 0.00 0.00 37.83 36.37 1jhf s LYS 156 CO -0.06 -0.71 0.43 0.50 -0.76 0.00 0.00 175.35 174.76 1jhf s ARG 157 N -3.51 4.17 0.08 1.68 3.52 -0.56 -0.92 118.95 123.42 1jhf s ARG 157 Ca 0.27 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.97 1jhf s ARG 157 Cb -0.00 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1jhf s ARG 157 CO 0.14 0.38 1.01 -1.17 -0.81 0.00 0.00 175.30 174.86 1jhf s LEU 158 N -0.08 4.45 -0.35 -0.88 2.96 -0.73 -1.11 118.68 122.94 1jhf s LEU 158 Ca 0.24 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.98 1jhf s LEU 158 Cb -0.16 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.09 1jhf s LEU 158 CO 0.11 -0.19 0.29 -0.75 -1.32 0.00 0.00 176.35 174.49 1jhf s LYS 159 N 0.34 0.52 0.29 1.98 2.20 -0.75 -0.66 119.74 123.66 1jhf s LYS 159 Ca 0.50 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1jhf s LYS 159 Cb -0.24 -0.94 -0.10 0.00 -1.51 0.00 0.00 37.83 35.04 1jhf s LYS 159 CO 0.30 -1.16 1.34 0.15 -0.36 0.00 0.00 175.35 175.62 1jhf s LYS 160 N 1.51 4.34 -0.41 4.03 1.02 -1.26 -1.16 119.74 127.81 1jhf s LYS 160 Ca 0.15 2.22 0.10 0.00 0.02 0.00 0.00 55.97 58.46 1jhf s LYS 160 Cb -0.18 -3.10 0.31 0.00 -0.52 0.00 0.00 37.83 34.35 1jhf s LYS 160 CO -0.09 -0.25 0.68 1.04 -0.92 0.00 0.00 175.35 175.81 1jhf n GLN 161 N 1.42 1.18 0.00 1.68 1.13 -0.08 -4.89 117.38 117.82 1jhf n GLN 161 Ca 0.02 -3.53 0.00 0.00 -1.94 0.00 0.00 57.00 51.55 1jhf n GLN 161 Cb 0.41 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1jhf n GLN 161 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jhf n GLY 162 N 0.62 2.98 0.31 1.08 0.00 -1.26 -1.91 105.19 107.02 1jhf n GLY 162 Ca 0.25 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1jhf n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jhf n ASN 163 N 9.11 0.93 -4.44 1.61 5.03 -1.26 -4.85 115.26 121.39 1jhf n ASN 163 Ca 0.00 -1.56 -0.22 0.00 0.87 0.00 0.00 54.58 53.67 1jhf n ASN 163 Cb 0.00 -0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 38.60 1jhf n ASN 163 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1jhf s LYS 164 N -1.89 1.58 -0.03 3.52 1.02 -0.80 -1.70 119.74 121.44 1jhf s LYS 164 Ca 0.31 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.52 1jhf s LYS 164 Cb 0.16 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 1jhf s LYS 164 CO 0.25 0.07 -0.03 0.08 -0.92 0.00 0.00 175.35 174.79 1jhf s VAL 165 N -2.94 0.39 -0.13 3.17 1.01 -0.37 -0.90 120.40 120.64 1jhf s VAL 165 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1jhf s VAL 165 Cb 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1jhf s VAL 165 CO 0.12 0.17 -0.07 -1.61 0.00 0.00 0.00 175.10 173.71 1jhf s GLU 166 N 0.60 3.42 -0.32 2.72 2.02 -0.31 -0.82 118.70 126.02 1jhf s GLU 166 Ca -0.07 -0.57 -0.05 0.00 0.02 0.00 0.00 54.97 54.30 1jhf s GLU 166 Cb -0.10 -2.77 0.04 0.00 0.10 0.00 0.00 34.13 31.40 1jhf s GLU 166 CO -0.00 0.31 0.06 -0.51 0.02 0.00 0.00 175.26 175.13 1jhf s LEU 167 N 0.14 4.06 0.06 1.80 1.43 -0.24 -1.81 118.68 124.13 1jhf s LEU 167 Ca -0.03 -1.12 -0.20 0.00 -1.03 0.00 0.00 54.13 51.74 1jhf s LEU 167 Cb -0.14 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 1jhf s LEU 167 CO 0.03 -0.28 0.60 -0.76 0.23 0.00 0.00 176.35 176.18 1jhf s LEU 168 N 1.36 4.51 0.64 1.79 1.02 -0.27 -1.75 118.68 125.98 1jhf s LEU 168 Ca -0.02 1.29 -0.01 0.00 0.02 0.00 0.00 54.13 55.41 1jhf s LEU 168 Cb -0.19 -2.95 0.08 0.00 0.02 0.00 0.00 46.19 43.14 1jhf s LEU 168 CO 0.01 0.22 0.90 -2.16 0.02 0.00 0.00 176.35 175.34 1jhf s PRO 169 N -0.88 2.13 -0.47 1.29 0.04 -1.26 -1.49 135.00 134.36 1jhf s PRO 169 Ca 0.30 -0.85 0.08 0.00 0.04 0.00 0.00 61.00 60.58 1jhf s PRO 169 Cb -0.20 -2.38 0.28 0.00 0.04 0.00 0.00 34.50 32.24 1jhf s PRO 169 CO 0.19 -1.09 0.66 0.39 0.04 0.00 0.00 177.00 177.20 1jhf n GLU 170 N -2.63 1.50 -3.53 4.56 -0.58 0.27 -4.95 120.64 115.28 1jhf n GLU 170 Ca 0.11 -3.80 -0.01 0.00 -0.42 0.00 0.00 57.16 53.04 1jhf n GLU 170 Cb 0.60 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 1jhf n GLU 170 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1jhf s ASN 171 N -2.00 -0.62 0.64 1.62 3.84 -1.22 -0.68 114.94 116.51 1jhf s ASN 171 Ca 0.39 0.91 0.40 0.00 0.21 0.00 0.00 52.86 54.77 1jhf s ASN 171 Cb 0.21 1.53 2.22 0.00 -0.55 0.00 0.00 41.25 44.66 1jhf s ASN 171 CO -0.08 -0.13 2.33 0.28 -2.79 0.00 0.00 177.10 176.70 1jhf h SER 172 N 6.96 0.00 1.49 -4.21 0.02 -1.95 -1.91 113.55 113.93 1jhf h SER 172 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1jhf h SER 172 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1jhf h SER 172 CO 0.13 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.50 1jhf h GLU 173 N 0.00 0.00 -6.30 3.45 5.08 -1.98 -3.46 114.58 111.36 1jhf h GLU 173 Ca -0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 1jhf h GLU 173 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jhf h GLU 173 CO 0.00 0.00 -0.35 -0.06 -1.00 0.00 0.00 179.01 177.60 1jhf s PHE 174 N -3.29 3.18 0.17 4.33 0.08 -0.72 -5.15 117.98 116.60 1jhf s PHE 174 Ca 0.06 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.99 1jhf s PHE 174 Cb 0.08 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1jhf s PHE 174 CO 0.59 0.07 -0.07 -1.59 -0.10 0.00 0.00 175.22 174.12 1jhf s LYS 175 N -4.14 1.15 0.58 0.44 -2.85 -1.26 -4.91 119.74 108.75 1jhf s LYS 175 Ca 0.43 -1.53 -0.20 0.00 -1.00 0.00 0.00 55.97 53.68 1jhf s LYS 175 Cb -0.09 -0.63 -0.04 0.00 -2.06 0.00 0.00 37.83 35.01 1jhf s LYS 175 CO 0.31 0.02 1.27 -2.14 0.10 0.00 0.00 175.35 174.91 1jhf s PRO 176 N -3.78 2.97 -0.21 1.78 0.02 -1.26 -4.72 135.00 129.80 1jhf s PRO 176 Ca 0.21 2.00 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 1jhf s PRO 176 Cb 0.03 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1jhf s PRO 176 CO 0.03 -1.25 0.51 0.42 -0.33 0.00 0.00 177.00 176.38 1jhf s ILE 177 N -1.46 5.10 -0.25 2.83 1.01 -0.72 -4.92 121.20 122.80 1jhf s ILE 177 Ca 0.76 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 62.26 1jhf s ILE 177 Cb -0.35 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1jhf s ILE 177 CO 0.39 0.17 0.12 -0.69 0.00 0.00 0.00 174.94 174.93 1jhf s VAL 178 N 1.70 4.84 -0.17 2.92 1.01 -1.26 -1.08 120.40 128.36 1jhf s VAL 178 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1jhf s VAL 178 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1jhf s VAL 178 CO 0.09 0.32 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 1jhf s VAL 179 N 1.46 3.84 -0.45 2.92 1.01 0.00 -4.98 120.40 124.20 1jhf s VAL 179 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1jhf s VAL 179 Cb -0.15 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.61 1jhf s VAL 179 CO 0.06 0.48 0.34 -0.62 0.00 0.00 0.00 175.10 175.36 1jhf s ASP 180 N 0.56 5.99 0.34 3.32 3.68 -1.26 -1.24 116.67 128.06 1jhf s ASP 180 Ca -0.03 -1.34 0.23 0.00 2.13 0.00 0.00 52.55 53.55 1jhf s ASP 180 Cb -0.14 -2.12 1.23 0.00 -1.45 0.00 0.00 42.92 40.44 1jhf s ASP 180 CO 0.03 -0.59 1.71 -0.07 0.13 0.00 0.00 175.17 176.38 1jhf h LEU 181 N 8.64 0.00 -0.06 -1.34 3.38 -1.57 -1.23 115.31 123.12 1jhf h LEU 181 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jhf h LEU 181 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jhf h LEU 181 CO 0.83 0.00 -0.11 0.54 0.09 0.00 0.00 178.44 179.79 1jhf n ARG 182 N -2.31 0.28 0.00 1.13 1.74 -1.26 -4.21 116.66 112.02 1jhf n ARG 182 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1jhf n ARG 182 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1jhf n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jhf n GLN 183 N -1.31 0.00 -4.19 5.56 10.64 -0.75 -5.11 117.38 122.22 1jhf n GLN 183 Ca 0.10 -0.14 -0.17 0.00 -1.83 0.00 0.00 57.00 54.97 1jhf n GLN 183 Cb 0.30 -0.35 -0.13 0.00 -0.86 0.00 0.00 30.24 29.21 1jhf n GLN 183 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1jhf s GLN 184 N 0.00 0.70 0.16 2.61 -0.21 -0.54 -5.04 119.66 117.34 1jhf s GLN 184 Ca 0.00 -0.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.40 1jhf s GLN 184 Cb 0.00 -0.63 -0.08 0.00 1.00 0.00 0.00 33.01 33.31 1jhf s GLN 184 CO 0.00 0.14 0.83 -1.54 -2.12 0.00 0.00 175.29 172.60 1jhf s SER 185 N -1.26 7.44 -0.09 5.90 1.04 -1.26 -4.57 113.70 120.90 1jhf s SER 185 Ca -0.03 1.70 -0.06 0.00 0.48 0.00 0.00 55.95 58.04 1jhf s SER 185 Cb -0.08 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1jhf s SER 185 CO 0.01 0.15 0.22 0.12 0.98 0.00 0.00 173.24 174.73 1jhf s PHE 186 N -0.93 -0.27 -0.01 5.02 2.19 -1.26 -0.88 117.98 121.84 1jhf s PHE 186 Ca 0.38 0.67 -0.11 0.00 0.33 0.00 0.00 56.93 58.20 1jhf s PHE 186 Cb -0.23 0.05 0.01 0.00 -1.31 0.00 0.00 43.02 41.54 1jhf s PHE 186 CO 0.27 -0.17 0.22 0.95 1.83 0.00 0.00 175.22 178.33 1jhf s THR 187 N 0.70 0.06 -0.19 0.12 -4.23 -0.84 -5.00 115.64 106.27 1jhf s THR 187 Ca -0.05 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1jhf s THR 187 Cb -0.06 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 1jhf s THR 187 CO -0.04 -0.29 0.32 -0.63 -0.54 0.00 0.00 174.62 173.43 1jhf s ILE 188 N -1.22 5.27 -0.16 2.99 -1.09 -1.26 -0.89 121.20 124.83 1jhf s ILE 188 Ca -0.13 0.56 0.10 0.00 -2.23 0.00 0.00 60.65 58.95 1jhf s ILE 188 Cb -0.06 -3.65 -0.23 0.00 -1.58 0.00 0.00 42.46 36.94 1jhf s ILE 188 CO 0.03 0.33 0.20 -0.62 -1.23 0.00 0.00 174.94 173.64 1jhf n GLU 189 N 4.04 0.68 -3.21 2.79 -0.58 0.33 -4.68 120.64 120.00 1jhf n GLU 189 Ca -0.11 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1jhf n GLU 189 Cb 0.52 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1jhf n GLU 189 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jhf n GLY 190 N 1.84 -1.41 3.53 0.62 0.00 -1.13 -3.18 105.19 105.46 1jhf n GLY 190 Ca -0.31 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1jhf n GLY 190 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jhf s LEU 191 N 0.00 3.23 -0.06 0.99 2.96 -0.41 -1.50 118.68 123.89 1jhf s LEU 191 Ca 0.00 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1jhf s LEU 191 Cb 0.00 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1jhf s LEU 191 CO 0.00 0.24 1.11 0.00 -1.32 0.00 0.00 176.35 176.38 1jhf s ALA 192 N -0.07 3.42 0.00 5.97 0.00 -0.90 -1.04 121.76 129.15 1jhf s ALA 192 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1jhf s ALA 192 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1jhf s ALA 192 CO 0.03 -0.63 0.44 1.33 0.00 0.00 0.00 175.76 176.93 1jhf n VAL 193 N 4.48 0.00 -0.83 0.00 0.24 -0.27 -4.88 118.33 117.07 1jhf n VAL 193 Ca 0.10 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1jhf n VAL 193 Cb 0.48 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1jhf n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhf n GLY 194 N 0.06 -1.47 3.13 7.63 0.00 -1.21 -4.53 105.19 108.80 1jhf n GLY 194 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1jhf n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhf s VAL 195 N -2.26 0.03 -0.12 1.61 1.01 -1.26 -1.09 120.40 118.32 1jhf s VAL 195 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1jhf s VAL 195 Cb 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1jhf s VAL 195 CO 0.00 -0.13 -0.10 -0.63 0.00 0.00 0.00 175.10 174.24 1jhf s ILE 196 N -0.44 1.25 -0.20 2.22 1.01 -0.01 -4.94 121.20 120.09 1jhf s ILE 196 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1jhf s ILE 196 Cb -0.04 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1jhf s ILE 196 CO 0.01 0.40 -0.08 -0.60 0.00 0.00 0.00 174.94 174.68 1jhf s ARG 197 N 1.56 3.34 0.00 2.79 3.52 -1.26 -0.97 118.95 127.93 1jhf s ARG 197 Ca 0.04 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1jhf s ARG 197 Cb -0.13 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1jhf s ARG 197 CO -0.08 -0.11 0.13 0.27 -0.81 0.00 0.00 175.30 174.70