#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhh n ALA 3 N 0.00 0.00 -2.86 7.82 0.00 -1.26 -5.16 120.51 119.05 1jhh n ALA 3 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1jhh n ALA 3 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1jhh n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jhh s LEU 4 N 0.00 4.26 0.88 0.00 1.43 -1.26 -5.09 118.68 118.90 1jhh s LEU 4 Ca 0.00 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1jhh s LEU 4 Cb 0.00 -2.18 0.12 0.00 0.03 0.00 0.00 46.19 44.16 1jhh s LEU 4 CO 0.00 0.36 1.11 0.42 0.23 0.00 0.00 176.35 178.47 1jhh s THR 5 N -1.09 2.49 0.23 5.49 -4.23 -1.26 -4.79 115.64 112.47 1jhh s THR 5 Ca 0.18 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1jhh s THR 5 Cb -0.12 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.08 1jhh s THR 5 CO 0.08 -0.21 1.83 0.00 -0.54 0.00 0.00 174.62 175.78 1jhh h ALA 6 N -1.42 1.08 -0.23 3.99 0.00 -1.99 -1.33 119.26 119.37 1jhh h ALA 6 Ca -0.50 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1jhh h ALA 6 Cb 1.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jhh h ALA 6 CO 0.59 0.15 -0.55 -0.09 0.00 0.00 0.00 179.25 179.35 1jhh h ARG 7 N 0.83 0.69 -0.38 0.00 2.43 -2.00 -2.44 114.38 113.50 1jhh h ARG 7 Ca 0.35 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1jhh h ARG 7 Cb 0.23 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1jhh h ARG 7 CO -0.20 1.06 -0.01 1.96 -1.51 0.00 0.00 179.97 181.27 1jhh h GLN 8 N 0.53 0.61 -0.68 0.20 4.20 -1.84 -1.54 115.11 116.60 1jhh h GLN 8 Ca 0.01 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1jhh h GLN 8 Cb 1.12 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1jhh h GLN 8 CO 0.11 0.64 0.25 0.37 -0.67 0.00 0.00 178.83 179.53 1jhh h GLN 9 N 0.58 1.03 -0.64 1.46 5.75 -1.10 0.17 115.11 122.37 1jhh h GLN 9 Ca 0.12 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1jhh h GLN 9 Cb 0.39 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1jhh h GLN 9 CO 0.01 0.88 0.12 0.93 -2.65 0.00 0.00 178.83 178.12 1jhh h GLU 10 N 0.98 1.05 -0.37 1.69 5.08 -0.89 0.28 114.58 122.39 1jhh h GLU 10 Ca 0.22 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1jhh h GLU 10 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1jhh h GLU 10 CO -0.01 0.96 0.01 0.28 -1.00 0.00 0.00 179.01 179.25 1jhh h VAL 11 N 0.96 1.26 -0.79 3.13 2.07 -0.96 -1.91 116.25 120.01 1jhh h VAL 11 Ca 0.20 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1jhh h VAL 11 Cb 0.41 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1jhh h VAL 11 CO 0.01 0.32 0.35 0.15 0.02 0.00 0.00 177.57 178.42 1jhh h PHE 12 N 0.46 1.16 -0.55 1.57 3.57 -0.36 -1.44 116.94 121.34 1jhh h PHE 12 Ca 0.11 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1jhh h PHE 12 Cb 0.44 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1jhh h PHE 12 CO 0.03 0.85 -0.09 -0.44 -2.23 0.00 0.00 178.31 176.44 1jhh h ASP 13 N 1.14 1.03 -0.61 0.41 3.32 -0.35 -2.16 116.42 119.20 1jhh h ASP 13 Ca 0.27 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1jhh h ASP 13 Cb 0.15 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1jhh h ASP 13 CO -0.03 1.13 0.32 0.25 -1.72 0.00 0.00 179.24 179.18 1jhh h LEU 14 N 0.92 0.78 -0.24 1.55 5.85 -0.97 -0.57 115.31 122.62 1jhh h LEU 14 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1jhh h LEU 14 Cb 0.66 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1jhh h LEU 14 CO 0.05 0.66 0.15 0.40 -0.34 0.00 0.00 178.44 179.36 1jhh h ILE 15 N 0.83 1.05 -0.51 4.05 2.04 -1.07 -0.71 117.51 123.19 1jhh h ILE 15 Ca 0.21 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1jhh h ILE 15 Cb 0.08 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1jhh h ILE 15 CO -0.03 0.06 0.07 0.03 0.00 0.00 0.00 178.15 178.27 1jhh h ARG 16 N 0.31 0.85 -0.79 2.37 3.08 -1.14 -1.62 114.38 117.45 1jhh h ARG 16 Ca 0.09 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1jhh h ARG 16 Cb -0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1jhh h ARG 16 CO -0.03 0.85 0.47 -0.44 -1.07 0.00 0.00 179.97 179.75 1jhh h ASP 17 N 0.73 0.96 -0.65 7.04 5.19 -0.96 0.10 116.42 128.83 1jhh h ASP 17 Ca 0.15 -0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 1jhh h ASP 17 Cb 0.42 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 1jhh h ASP 17 CO 0.01 0.75 0.10 -0.74 -3.12 0.00 0.00 179.24 176.24 1jhh h HIS 18 N 1.09 1.15 -0.28 4.55 2.76 -0.97 -1.23 115.15 122.22 1jhh h HIS 18 Ca 0.28 -0.16 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 1jhh h HIS 18 Cb -0.02 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 1jhh h HIS 18 CO -0.00 0.97 -0.19 0.82 -1.30 0.00 0.00 177.93 178.22 1jhh h ILE 19 N 0.99 1.30 0.00 6.26 2.04 -0.92 0.46 117.51 127.65 1jhh h ILE 19 Ca 0.20 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1jhh h ILE 19 Cb 0.44 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1jhh h ILE 19 CO 0.01 0.42 -0.06 0.28 0.00 0.00 0.00 178.15 178.80 1jhh h SER 20 N 0.35 0.00 0.12 1.72 0.02 -0.57 0.61 113.55 115.80 1jhh h SER 20 Ca 0.05 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.65 1jhh h SER 20 Cb 0.73 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1jhh h SER 20 CO 0.05 0.06 -2.22 1.67 -1.14 0.00 0.00 176.83 175.25 1jhh n GLN 21 N -4.13 0.68 -0.01 3.45 7.27 -0.49 -4.66 117.38 119.49 1jhh n GLN 21 Ca -0.03 0.13 0.03 0.00 0.07 0.00 0.00 57.00 57.21 1jhh n GLN 21 Cb 0.14 -1.60 -0.06 0.00 2.41 0.00 0.00 30.24 31.13 1jhh n GLN 21 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1jhh n THR 22 N -3.04 0.03 -0.46 1.69 -2.24 0.14 -5.01 114.28 105.39 1jhh n THR 22 Ca -0.33 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1jhh n THR 22 Cb 1.08 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1jhh n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhh n GLY 23 N 2.10 0.73 3.06 3.38 0.00 0.21 -5.02 105.19 109.65 1jhh n GLY 23 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1jhh n GLY 23 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jhh s MET 24 N -0.54 0.49 0.85 1.61 0.23 -1.26 -4.96 119.30 115.72 1jhh s MET 24 Ca 0.00 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 53.75 1jhh s MET 24 Cb 0.00 0.18 0.10 0.00 -1.53 0.00 0.00 34.83 33.59 1jhh s MET 24 CO 0.00 -0.10 1.09 -2.14 -2.03 0.00 0.00 175.02 171.84 1jhh s PRO 25 N -2.47 1.62 0.51 3.16 0.02 -1.26 -3.56 135.00 133.02 1jhh s PRO 25 Ca -0.06 1.04 -0.06 0.00 0.02 0.00 0.00 61.00 61.94 1jhh s PRO 25 Cb -0.02 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 1jhh s PRO 25 CO -0.04 -2.05 0.83 -1.25 -0.33 0.00 0.00 177.00 174.15 1jhh s PRO 26 N -4.88 3.44 0.70 5.54 0.04 -1.26 -4.87 135.00 133.70 1jhh s PRO 26 Ca 0.63 0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.80 1jhh s PRO 26 Cb -0.18 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.08 1jhh s PRO 26 CO 0.57 -0.32 1.02 0.95 0.04 0.00 0.00 177.00 179.26 1jhh s THR 27 N -2.82 2.49 0.29 1.26 -4.23 -1.26 -4.73 115.64 106.64 1jhh s THR 27 Ca 0.49 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1jhh s THR 27 Cb -0.10 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 70.86 1jhh s THR 27 CO 0.46 -0.10 1.91 0.03 -0.54 0.00 0.00 174.62 176.38 1jhh h ARG 28 N -0.60 0.97 -0.58 3.99 -0.00 -1.98 -2.11 114.38 114.06 1jhh h ARG 28 Ca -0.45 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.98 58.87 1jhh h ARG 28 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 31.06 1jhh h ARG 28 CO 0.61 0.73 0.18 0.00 0.00 0.00 0.00 179.97 181.49 1jhh h ALA 29 N 1.42 0.76 -0.81 0.04 0.00 -1.93 -1.19 119.26 117.55 1jhh h ALA 29 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jhh h ALA 29 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1jhh h ALA 29 CO -0.04 0.42 0.35 0.93 0.00 0.00 0.00 179.25 180.92 1jhh h GLU 30 N 0.82 1.19 -0.06 0.00 5.08 -1.83 -0.68 114.58 119.09 1jhh h GLU 30 Ca 0.19 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jhh h GLU 30 Cb 0.28 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jhh h GLU 30 CO -0.01 0.95 0.03 0.82 -1.00 0.00 0.00 179.01 179.80 1jhh h ILE 31 N 1.16 1.13 -0.80 3.13 2.04 -1.14 -1.63 117.51 121.41 1jhh h ILE 31 Ca 0.27 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1jhh h ILE 31 Cb 0.18 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1jhh h ILE 31 CO -0.03 0.11 0.51 0.00 0.00 0.00 0.00 178.15 178.74 1jhh h ALA 32 N 0.87 1.05 0.29 1.87 0.00 -0.93 -1.74 119.26 120.67 1jhh h ALA 32 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jhh h ALA 32 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jhh h ALA 32 CO -0.00 0.33 -0.14 0.37 0.00 0.00 0.00 179.25 179.80 1jhh h GLN 33 N 0.99 -0.38 -0.24 0.00 -0.00 -1.00 0.30 115.11 114.78 1jhh h GLN 33 Ca 0.32 0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.93 1jhh h GLN 33 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1jhh h GLN 33 CO -0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 178.83 178.45 1jhh h ARG 34 N -0.62 0.40 -0.26 1.69 3.08 -1.22 -2.79 114.38 114.67 1jhh h ARG 34 Ca -0.04 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1jhh h ARG 34 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1jhh h ARG 34 CO 0.07 0.56 0.00 1.28 -1.07 0.00 0.00 179.97 180.80 1jhh n LEU 35 N -4.20 2.80 -1.92 3.04 4.77 -0.66 -4.96 117.00 115.87 1jhh n LEU 35 Ca 0.00 -1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 54.68 1jhh n LEU 35 Cb 0.32 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1jhh n LEU 35 CO 0.40 0.58 -0.10 0.61 -1.33 0.00 0.00 177.39 177.55 1jhh n GLY 36 N 1.37 -0.20 3.82 -0.72 0.00 -0.35 -5.00 105.19 104.10 1jhh n GLY 36 Ca 0.18 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1jhh n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jhh s PHE 37 N -2.86 3.18 0.46 1.61 2.99 0.90 -4.95 117.98 119.31 1jhh s PHE 37 Ca 0.10 1.49 0.12 0.00 0.00 0.00 0.00 56.93 58.65 1jhh s PHE 37 Cb -0.05 -2.92 1.05 0.00 0.00 0.00 0.00 43.02 41.10 1jhh s PHE 37 CO 0.13 -0.81 2.07 0.07 -0.00 0.00 0.00 175.22 176.68 1jhh h ARG 38 N 0.63 0.31 -2.08 0.44 -0.00 -1.94 -3.44 114.38 108.30 1jhh h ARG 38 Ca -0.47 -0.02 0.24 0.00 -0.00 0.00 0.00 59.98 59.74 1jhh h ARG 38 Cb 1.21 -0.07 -0.08 0.00 -0.00 0.00 0.00 29.97 31.03 1jhh h ARG 38 CO 0.59 0.20 0.68 -1.54 -0.00 0.00 0.00 179.97 179.90 1jhh s SER 39 N -6.72 -0.07 0.41 0.08 1.04 -1.26 -5.01 113.70 102.16 1jhh s SER 39 Ca -0.07 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.07 1jhh s SER 39 Cb 0.18 0.34 0.85 0.00 0.10 0.00 0.00 66.02 67.49 1jhh s SER 39 CO 0.71 -0.66 2.05 -0.65 0.98 0.00 0.00 173.24 175.68 1jhh h PRO 40 N 2.00 0.56 -0.92 4.02 0.11 -1.90 -1.77 132.00 134.11 1jhh h PRO 40 Ca -0.27 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.91 1jhh h PRO 40 Cb 1.21 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1jhh h PRO 40 CO 0.30 0.37 0.59 -0.91 -0.21 0.00 0.00 178.00 178.14 1jhh h ASN 41 N 0.58 0.83 -0.66 -2.05 -0.26 -1.95 -1.37 115.58 110.70 1jhh h ASN 41 Ca 0.17 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.85 1jhh h ASN 41 Cb -0.04 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 1jhh h ASN 41 CO -0.04 0.49 0.11 0.00 -1.06 0.00 0.00 177.43 176.93 1jhh h ALA 42 N 1.55 0.88 -0.53 -0.83 0.00 -1.72 -2.78 119.26 115.83 1jhh h ALA 42 Ca 0.43 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1jhh h ALA 42 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jhh h ALA 42 CO -0.19 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 1jhh h ALA 43 N 1.05 0.90 -0.66 0.00 0.00 -1.28 -2.99 119.26 116.27 1jhh h ALA 43 Ca 0.20 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jhh h ALA 43 Cb 0.44 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1jhh h ALA 43 CO 0.01 0.64 0.39 1.49 0.00 0.00 0.00 179.25 181.79 1jhh h GLU 44 N 0.86 0.73 -0.86 0.00 4.57 -1.12 -1.27 114.58 117.50 1jhh h GLU 44 Ca 0.15 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1jhh h GLU 44 Cb 0.59 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 1jhh h GLU 44 CO 0.04 0.49 0.55 0.93 -1.18 0.00 0.00 179.01 179.83 1jhh h GLU 45 N 0.76 1.03 -0.26 1.92 5.08 -1.35 0.30 114.58 122.05 1jhh h GLU 45 Ca 0.28 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1jhh h GLU 45 Cb 0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jhh h GLU 45 CO -0.13 0.68 -0.36 0.45 -1.00 0.00 0.00 179.01 178.65 1jhh h HIS 46 N 1.06 0.68 -0.45 4.33 3.86 -1.37 -2.26 115.15 121.00 1jhh h HIS 46 Ca 0.35 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1jhh h HIS 46 Cb 0.03 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1jhh h HIS 46 CO -0.02 0.86 -0.14 -0.07 0.86 0.00 0.00 177.93 179.42 1jhh h LEU 47 N 0.49 0.83 -0.85 2.43 3.38 -0.43 -1.52 115.31 119.63 1jhh h LEU 47 Ca 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1jhh h LEU 47 Cb 0.85 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1jhh h LEU 47 CO 0.07 0.97 0.44 0.11 0.09 0.00 0.00 178.44 180.12 1jhh h LYS 48 N 0.74 1.21 -0.19 1.13 1.57 -0.72 -0.01 116.57 120.30 1jhh h LYS 48 Ca 0.12 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1jhh h LYS 48 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1jhh h LYS 48 CO 0.05 0.91 -0.43 0.00 -0.57 0.00 0.00 179.45 179.40 1jhh h ALA 49 N 1.24 0.91 -0.42 3.86 0.00 -1.06 -1.11 119.26 122.67 1jhh h ALA 49 Ca 0.30 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1jhh h ALA 49 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jhh h ALA 49 CO -0.04 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.46 1jhh h LEU 50 N 0.37 0.99 -0.91 0.00 3.38 -0.84 -0.83 115.31 117.47 1jhh h LEU 50 Ca 0.03 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1jhh h LEU 50 Cb 0.91 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1jhh h LEU 50 CO 0.08 1.21 0.10 0.00 0.09 0.00 0.00 178.44 179.92 1jhh h ALA 51 N 0.84 1.11 -0.58 1.53 0.00 -0.84 -1.69 119.26 119.63 1jhh h ALA 51 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1jhh h ALA 51 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1jhh h ALA 51 CO 0.08 0.59 0.04 -0.09 0.00 0.00 0.00 179.25 179.87 1jhh h ARG 52 N 0.86 0.98 0.00 0.00 2.43 -0.88 -1.40 114.38 116.37 1jhh h ARG 52 Ca 0.18 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1jhh h ARG 52 Cb 0.37 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1jhh h ARG 52 CO 0.01 0.94 0.00 1.63 -1.51 0.00 0.00 179.97 181.04 1jhh n LYS 53 N -4.20 0.53 -1.05 0.20 4.01 -0.35 -4.92 118.16 112.38 1jhh n LYS 53 Ca 0.03 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.83 1jhh n LYS 53 Cb 0.31 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.32 1jhh n LYS 53 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jhh n GLY 54 N 1.03 0.52 0.14 0.72 0.00 -0.53 -4.93 105.19 102.15 1jhh n GLY 54 Ca 0.15 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1jhh n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1jhh h VAL 55 N 0.00 0.13 -4.26 1.61 -1.51 -1.67 -3.43 116.25 107.12 1jhh h VAL 55 Ca -0.03 -1.23 -0.23 0.00 -1.23 0.00 0.00 66.70 63.98 1jhh h VAL 55 Cb 0.16 1.78 -0.15 0.00 -2.13 0.00 0.00 31.29 30.95 1jhh h VAL 55 CO 0.05 0.08 -0.64 0.27 -1.23 0.00 0.00 177.57 176.09 1jhh s ILE 56 N -3.23 0.24 -0.07 7.19 -4.36 -1.25 -1.72 121.20 118.00 1jhh s ILE 56 Ca 0.02 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 1jhh s ILE 56 Cb 0.08 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.61 1jhh s ILE 56 CO 0.76 -0.36 -0.20 -0.70 0.24 0.00 0.00 174.94 174.68 1jhh s GLU 57 N -4.04 2.37 -0.36 0.37 2.12 0.19 -4.29 118.70 115.06 1jhh s GLU 57 Ca 0.27 -0.70 -0.14 0.00 0.36 0.00 0.00 54.97 54.76 1jhh s GLU 57 Cb 0.07 -1.89 -0.01 0.00 0.26 0.00 0.00 34.13 32.56 1jhh s GLU 57 CO 0.05 0.18 0.31 0.42 -0.54 0.00 0.00 175.26 175.68 1jhh s ILE 58 N 0.30 5.22 -0.85 -3.70 1.01 -1.26 -0.96 121.20 120.96 1jhh s ILE 58 Ca -0.13 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1jhh s ILE 58 Cb -0.16 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.63 1jhh s ILE 58 CO 0.06 -0.11 1.03 -0.69 0.00 0.00 0.00 174.94 175.23 1jhh s VAL 59 N 1.86 4.76 0.44 2.92 1.01 -0.10 -5.01 120.40 126.28 1jhh s VAL 59 Ca 0.09 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 1jhh s VAL 59 Cb -0.17 -4.71 -0.13 0.00 0.00 0.00 0.00 36.38 31.36 1jhh s VAL 59 CO 0.11 -1.42 0.34 -1.54 0.00 0.00 0.00 175.10 172.59 1jhh n SER 60 N 6.45 -1.79 -1.10 3.32 3.41 -1.26 -4.58 113.62 118.07 1jhh n SER 60 Ca 0.16 0.84 0.13 0.00 -0.26 0.00 0.00 58.87 59.75 1jhh n SER 60 Cb 0.48 -1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 1jhh n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jhh n GLY 61 N 2.03 -3.05 0.83 5.00 0.00 -1.26 -5.04 105.19 103.70 1jhh n GLY 61 Ca 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1jhh n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhh n ALA 62 N -3.63 -2.62 -1.76 4.61 0.00 -1.26 -4.67 120.51 111.17 1jhh n ALA 62 Ca -0.06 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1jhh n ALA 62 Cb 0.52 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 19.11 1jhh n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jhh s SER 63 N -1.10 5.51 -1.38 0.00 0.15 -1.26 -3.13 113.70 112.50 1jhh s SER 63 Ca 0.00 2.35 -0.08 0.00 0.70 0.00 0.00 55.95 58.92 1jhh s SER 63 Cb 0.00 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1jhh s SER 63 CO 0.00 -1.37 1.06 0.54 1.20 0.00 0.00 173.24 174.67 1jhh n ARG 64 N -1.27 -6.85 -2.14 5.44 1.74 -1.26 -4.88 116.66 107.44 1jhh n ARG 64 Ca 0.12 0.75 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 1jhh n ARG 64 Cb 0.49 -5.71 -0.00 0.00 -1.02 0.00 0.00 32.46 26.22 1jhh n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhh n GLY 65 N -1.76 4.93 3.02 -0.13 0.00 -1.18 -4.70 105.19 105.36 1jhh n GLY 65 Ca -0.06 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 1jhh n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhh s ILE 66 N -0.11 0.82 -0.01 -0.61 1.01 -1.26 -0.93 121.20 120.11 1jhh s ILE 66 Ca 0.47 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.76 1jhh s ILE 66 Cb 0.14 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1jhh s ILE 66 CO -0.04 0.25 -0.12 -0.13 0.00 0.00 0.00 174.94 174.90 1jhh s ARG 67 N 0.09 0.97 0.15 2.79 0.52 -0.14 -4.74 118.95 118.59 1jhh s ARG 67 Ca -0.02 -0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 54.55 1jhh s ARG 67 Cb -0.08 -0.94 -0.07 0.00 0.52 0.00 0.00 34.95 34.38 1jhh s ARG 67 CO 0.00 0.26 0.64 -0.51 0.02 0.00 0.00 175.30 175.71 1jhh s LEU 68 N -0.35 4.44 0.42 2.53 1.43 -1.26 0.55 118.68 126.44 1jhh s LEU 68 Ca 0.04 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1jhh s LEU 68 Cb -0.05 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 1jhh s LEU 68 CO -0.00 0.15 0.02 -0.76 0.23 0.00 0.00 176.35 175.99 1jhh s LEU 69 N -1.57 2.62 -1.49 1.79 1.43 -0.70 -4.78 118.68 115.98 1jhh s LEU 69 Ca 0.36 -1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 1jhh s LEU 69 Cb -0.18 -0.76 0.07 0.00 0.03 0.00 0.00 46.19 45.36 1jhh s LEU 69 CO 0.21 -0.57 0.86 0.00 0.23 0.00 0.00 176.35 177.08 1jhh n GLN 70 N -0.98 -5.15 -0.13 1.70 6.02 -1.26 -4.81 117.38 112.76 1jhh n GLN 70 Ca -0.07 0.61 -0.10 0.00 -0.01 0.00 0.00 57.00 57.43 1jhh n GLN 70 Cb 0.67 -5.48 -0.02 0.00 1.02 0.00 0.00 30.24 26.43 1jhh n GLN 70 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1jhh h GLU 71 N -1.83 0.68 -5.91 -1.09 5.08 -1.95 -3.42 114.58 106.15 1jhh h GLU 71 Ca -0.55 -0.21 -0.62 0.00 -1.00 0.00 0.00 59.36 56.97 1jhh h GLU 71 Cb 1.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1jhh h GLU 71 CO 0.63 0.77 1.48 -1.91 -1.00 0.00 0.00 179.01 178.98 1jhh n GLU 72 N -4.46 1.24 -4.44 2.33 2.13 -1.26 -4.94 120.64 111.23 1jhh n GLU 72 Ca -0.01 0.31 -0.25 0.00 0.66 0.00 0.00 57.16 57.87 1jhh n GLU 72 Cb 0.28 -2.70 -0.13 0.00 0.27 0.00 0.00 31.44 29.15 1jhh n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jhh s GLU 73 N 6.58 1.25 0.25 5.31 2.12 -1.26 -5.14 118.70 127.81 1jhh s GLU 73 Ca 1.08 -1.07 -0.28 0.00 0.36 0.00 0.00 54.97 55.05 1jhh s GLU 73 Cb -0.68 -1.45 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 1jhh s GLU 73 CO 0.43 0.35 0.92 -1.21 -0.54 0.00 0.00 175.26 175.22 1jhh s GLU 74 N -1.59 4.76 1.63 4.30 0.41 -1.26 -4.90 118.70 122.05 1jhh s GLU 74 Ca 0.07 1.41 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 1jhh s GLU 74 Cb -0.09 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 1jhh s GLU 74 CO 0.03 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 1jhh n GLY 75 N 1.29 -1.08 2.94 -1.39 0.00 -1.26 -4.87 105.19 100.82 1jhh n GLY 75 Ca -0.02 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1jhh n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhh s LEU 76 N 0.00 1.06 0.37 0.99 1.43 -0.01 -4.85 118.68 117.67 1jhh s LEU 76 Ca 0.00 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.12 1jhh s LEU 76 Cb 0.00 0.35 -0.10 0.00 0.03 0.00 0.00 46.19 46.48 1jhh s LEU 76 CO 0.00 -0.11 0.99 -2.16 0.23 0.00 0.00 176.35 175.30 1jhh s PRO 77 N 0.74 4.35 -0.27 1.29 0.04 -1.26 -0.53 135.00 139.37 1jhh s PRO 77 Ca -0.06 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1jhh s PRO 77 Cb -0.08 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1jhh s PRO 77 CO -0.03 0.05 0.11 -1.17 0.04 0.00 0.00 177.00 176.00 1jhh s LEU 78 N -2.47 3.68 -0.20 -3.56 2.96 0.79 -1.06 118.68 118.81 1jhh s LEU 78 Ca 0.55 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 54.05 1jhh s LEU 78 Cb -0.19 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1jhh s LEU 78 CO 0.24 -0.07 0.52 -0.69 -1.32 0.00 0.00 176.35 175.03 1jhh s VAL 79 N 1.64 5.11 0.00 1.68 1.01 0.18 -0.99 120.40 129.03 1jhh s VAL 79 Ca 0.06 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1jhh s VAL 79 Cb -0.16 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1jhh s VAL 79 CO 0.06 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1jhh n GLY 80 N 3.86 1.08 3.73 4.51 0.00 -0.68 -1.54 105.19 116.16 1jhh n GLY 80 Ca -0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1jhh n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jhh s ARG 81 N 3.15 2.51 0.05 1.61 0.52 -1.26 -4.70 118.95 120.83 1jhh s ARG 81 Ca 0.00 1.86 0.06 0.00 -0.52 0.00 0.00 55.73 57.14 1jhh s ARG 81 Cb 0.00 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1jhh s ARG 81 CO 0.00 -1.57 -0.13 0.08 0.02 0.00 0.00 175.30 173.70 1jhh s VAL 82 N -1.70 3.18 0.19 3.52 1.01 -1.26 -4.69 120.40 120.65 1jhh s VAL 82 Ca 0.78 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1jhh s VAL 82 Cb -0.32 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1jhh s VAL 82 CO 0.40 0.27 0.16 0.00 0.00 0.00 0.00 175.10 175.93 1jhh s ALA 83 N -1.04 3.59 0.37 5.51 0.00 -1.26 -5.05 121.76 123.88 1jhh s ALA 83 Ca 0.17 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 1jhh s ALA 83 Cb -0.11 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.56 1jhh s ALA 83 CO 0.09 0.44 1.18 0.00 0.00 0.00 0.00 175.76 177.47 1jhh s ALA 84 N -1.85 3.25 -0.19 0.00 0.00 -1.26 -2.94 121.76 118.77 1jhh s ALA 84 Ca 0.31 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1jhh s ALA 84 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1jhh s ALA 84 CO 0.24 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1jhh n GLY 85 N 0.74 0.44 3.21 0.00 0.00 -1.26 -5.00 105.19 103.31 1jhh n GLY 85 Ca 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1jhh n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jhh s GLU 86 N -1.25 1.81 0.75 1.61 0.41 -1.15 -5.12 118.70 115.76 1jhh s GLU 86 Ca 0.00 -0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 53.68 1jhh s GLU 86 Cb 0.00 -1.68 0.02 0.00 -1.78 0.00 0.00 34.13 30.69 1jhh s GLU 86 CO 0.00 0.39 0.93 -0.35 -0.49 0.00 0.00 175.26 175.75 1jhh n PRO 87 N 2.75 0.40 -0.18 0.39 -0.04 -1.26 -4.72 135.00 132.33 1jhh n PRO 87 Ca -0.16 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1jhh n PRO 87 Cb 0.53 -2.20 0.07 0.00 -0.04 0.00 0.00 33.50 31.85 1jhh n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1jhh h LEU 88 N -0.43 0.40 -3.10 1.53 5.85 -1.94 -2.62 115.31 115.00 1jhh h LEU 88 Ca -0.47 0.03 -0.27 0.00 0.84 0.00 0.00 57.88 58.01 1jhh h LEU 88 Cb 1.33 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.17 1jhh h LEU 88 CO 0.46 0.27 0.35 0.18 -0.34 0.00 0.00 178.44 179.35 1jhh n LEU 89 N -4.87 5.22 -4.77 2.25 4.77 -1.26 -4.85 117.00 113.49 1jhh n LEU 89 Ca 0.06 -2.72 -0.41 0.00 -0.03 0.00 0.00 56.01 52.91 1jhh n LEU 89 Cb 0.16 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1jhh n LEU 89 CO 0.28 0.88 1.12 0.00 -1.33 0.00 0.00 177.39 178.34 1jhh s ALA 90 N -1.67 3.58 0.40 -1.18 0.00 -0.99 -4.88 121.76 117.01 1jhh s ALA 90 Ca 0.29 1.50 0.15 0.00 0.00 0.00 0.00 51.96 53.90 1jhh s ALA 90 Cb 0.24 -3.59 1.00 0.00 0.00 0.00 0.00 23.12 20.78 1jhh s ALA 90 CO 0.04 -0.96 1.85 1.96 0.00 0.00 0.00 175.76 178.65 1jhh h GLN 91 N 3.39 0.48 0.00 0.00 1.08 -1.92 0.18 115.11 118.31 1jhh h GLN 91 Ca -0.50 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.65 1jhh h GLN 91 Cb 1.23 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1jhh h GLN 91 CO 0.67 0.31 -0.09 -0.56 -0.95 0.00 0.00 178.83 178.21 1jhh h GLN 92 N 0.49 0.00 0.00 1.46 3.07 -1.97 -2.57 115.11 115.58 1jhh h GLN 92 Ca 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.11 1jhh h GLN 92 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.61 1jhh h GLN 92 CO -0.20 0.09 -0.59 0.45 0.09 0.00 0.00 178.83 178.67 1jhh h HIS 93 N 0.00 0.00 -2.77 0.06 3.86 -0.92 -3.45 115.15 111.93 1jhh h HIS 93 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1jhh h HIS 93 Cb 0.27 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1jhh h HIS 93 CO 0.00 0.49 1.00 0.42 0.86 0.00 0.00 177.93 180.70 1jhh s ILE 94 N -2.97 3.93 -0.91 2.45 -1.09 -0.97 -1.68 121.20 119.97 1jhh s ILE 94 Ca 0.03 1.12 0.17 0.00 -2.23 0.00 0.00 60.65 59.74 1jhh s ILE 94 Cb 0.08 -3.73 0.61 0.00 -1.58 0.00 0.00 42.46 37.84 1jhh s ILE 94 CO 0.75 -0.11 1.53 -0.62 -1.23 0.00 0.00 174.94 175.26 1jhh n GLU 95 N 6.90 3.46 0.00 2.79 1.02 -0.16 -4.97 120.64 129.68 1jhh n GLU 95 Ca 0.16 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 1jhh n GLU 95 Cb 0.44 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1jhh n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jhh n GLY 96 N 0.71 2.80 3.10 0.62 0.00 -1.26 -4.93 105.19 106.23 1jhh n GLY 96 Ca 0.22 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 1jhh n GLY 96 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jhh s HIS 97 N -1.89 1.87 -0.03 1.61 3.76 -1.26 -0.15 115.29 119.21 1jhh s HIS 97 Ca 0.00 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.22 1jhh s HIS 97 Cb 0.00 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 1jhh s HIS 97 CO 0.00 -0.32 -0.11 0.71 -0.85 0.00 0.00 174.74 174.17 1jhh s TYR 98 N 0.50 2.79 -1.08 1.40 2.02 0.31 -4.85 117.35 118.44 1jhh s TYR 98 Ca -0.15 -0.10 -0.22 0.00 -0.37 0.00 0.00 57.07 56.23 1jhh s TYR 98 Cb -0.16 -1.62 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1jhh s TYR 98 CO 0.06 0.27 1.54 -0.65 -1.57 0.00 0.00 175.55 175.20 1jhh s GLN 99 N -1.00 3.63 -0.05 -0.62 -1.52 -1.26 -0.83 119.66 118.01 1jhh s GLN 99 Ca 0.13 -1.29 0.02 0.00 -1.95 0.00 0.00 55.36 52.27 1jhh s GLN 99 Cb -0.11 -5.39 0.02 0.00 -0.22 0.00 0.00 33.01 27.31 1jhh s GLN 99 CO 0.03 -2.28 -0.07 0.08 -0.25 0.00 0.00 175.29 172.80 1jhh s VAL 100 N 5.06 0.70 -0.21 1.09 1.01 -1.26 -5.03 120.40 121.76 1jhh s VAL 100 Ca 0.49 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1jhh s VAL 100 Cb 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1jhh s VAL 100 CO -0.05 0.25 2.15 -0.62 0.00 0.00 0.00 175.10 176.83 1jhh s ASP 101 N 0.74 5.58 0.56 3.32 3.68 -1.26 -4.52 116.67 124.76 1jhh s ASP 101 Ca -0.11 1.87 0.25 0.00 2.13 0.00 0.00 52.55 56.68 1jhh s ASP 101 Cb -0.14 -2.51 1.56 0.00 -1.45 0.00 0.00 42.92 40.38 1jhh s ASP 101 CO 0.01 -1.87 2.16 -0.65 0.13 0.00 0.00 175.17 174.95 1jhh h PRO 102 N 14.47 0.00 0.00 4.34 0.11 -1.88 -1.62 132.00 147.42 1jhh h PRO 102 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jhh h PRO 102 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jhh h PRO 102 CO 0.97 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.63 1jhh n SER 103 N -4.12 0.00 0.29 -2.05 3.41 -1.26 -2.61 113.62 107.28 1jhh n SER 103 Ca -0.01 -0.92 0.17 0.00 -0.26 0.00 0.00 58.87 57.85 1jhh n SER 103 Cb 0.19 -0.02 0.83 0.00 -0.26 0.00 0.00 64.21 64.95 1jhh n SER 103 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jhh h LEU 104 N 0.00 0.00 -9.69 1.04 3.38 -1.68 -3.43 115.31 104.92 1jhh h LEU 104 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1jhh h LEU 104 Cb 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1jhh h LEU 104 CO 0.00 0.06 -0.59 -0.36 0.09 0.00 0.00 178.44 177.63 1jhh s PHE 105 N -3.99 3.03 -0.12 1.13 0.40 -1.15 -5.09 117.98 112.19 1jhh s PHE 105 Ca -0.02 -0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1jhh s PHE 105 Cb 0.12 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.25 1jhh s PHE 105 CO 0.53 0.52 0.06 0.21 0.70 0.00 0.00 175.22 177.24 1jhh s LYS 106 N -3.17 0.23 1.09 0.44 2.36 -1.26 -2.97 119.74 116.47 1jhh s LYS 106 Ca 0.30 0.02 -0.12 0.00 -2.55 0.00 0.00 55.97 53.61 1jhh s LYS 106 Cb -0.09 -1.37 0.24 0.00 -1.05 0.00 0.00 37.83 35.56 1jhh s LYS 106 CO 0.22 -0.50 1.06 -2.14 1.55 0.00 0.00 175.35 175.53 1jhh s PRO 107 N 2.07 -0.36 0.47 4.03 0.02 -1.26 -4.96 135.00 135.01 1jhh s PRO 107 Ca 0.03 0.87 -0.24 0.00 0.02 0.00 0.00 61.00 61.68 1jhh s PRO 107 Cb -0.14 -1.62 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 1jhh s PRO 107 CO -0.06 -3.36 1.34 -0.80 -0.33 0.00 0.00 177.00 173.79 1jhh s ASN 108 N -2.74 5.80 0.24 2.53 0.02 -1.16 -4.88 114.94 114.75 1jhh s ASN 108 Ca 0.67 2.73 -0.30 0.00 -1.02 0.00 0.00 52.86 54.94 1jhh s ASN 108 Cb -0.23 -2.64 -0.09 0.00 0.02 0.00 0.00 41.25 38.31 1jhh s ASN 108 CO 0.62 -1.21 0.98 0.00 0.02 0.00 0.00 177.10 177.51 1jhh s ALA 109 N -1.29 3.35 -0.18 0.60 0.00 -1.07 -4.44 121.76 118.72 1jhh s ALA 109 Ca 0.64 0.68 0.13 0.00 0.00 0.00 0.00 51.96 53.41 1jhh s ALA 109 Cb -0.39 -3.24 -0.20 0.00 0.00 0.00 0.00 23.12 19.28 1jhh s ALA 109 CO 0.49 0.10 0.01 -0.25 0.00 0.00 0.00 175.76 176.11 1jhh n ASP 110 N 1.55 1.00 -3.66 0.00 10.43 0.48 -4.81 116.55 121.54 1jhh n ASP 110 Ca -0.01 -0.02 -0.09 0.00 2.57 0.00 0.00 54.79 57.23 1jhh n ASP 110 Cb 0.47 0.70 -0.02 0.00 1.84 0.00 0.00 41.12 44.11 1jhh n ASP 110 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1jhh s PHE 111 N -2.42 -0.35 -0.06 1.24 -0.71 -1.09 -4.51 117.98 110.09 1jhh s PHE 111 Ca -0.12 0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 55.77 1jhh s PHE 111 Cb 0.06 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.47 1jhh s PHE 111 CO 0.67 -1.05 -0.00 -0.51 -1.34 0.00 0.00 175.22 172.99 1jhh s LEU 112 N -2.84 3.54 -0.06 -1.99 1.43 -0.23 -0.93 118.68 117.60 1jhh s LEU 112 Ca 0.06 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1jhh s LEU 112 Cb -0.04 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1jhh s LEU 112 CO -0.02 0.34 -0.14 -0.22 0.23 0.00 0.00 176.35 176.54 1jhh s LEU 113 N -1.12 1.72 -0.06 1.79 2.96 0.08 0.51 118.68 124.55 1jhh s LEU 113 Ca 0.15 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 1jhh s LEU 113 Cb -0.11 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 1jhh s LEU 113 CO 0.05 0.06 1.13 -0.60 -1.32 0.00 0.00 176.35 175.67 1jhh s ARG 114 N 0.53 4.38 0.10 1.98 3.52 -0.59 -0.11 118.95 128.76 1jhh s ARG 114 Ca -0.13 1.58 -0.26 0.00 -0.13 0.00 0.00 55.73 56.80 1jhh s ARG 114 Cb -0.15 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 1jhh s ARG 114 CO 0.04 -0.38 0.79 0.08 -0.81 0.00 0.00 175.30 175.01 1jhh s VAL 115 N 2.06 4.57 -0.16 7.11 1.01 0.08 -4.95 120.40 130.11 1jhh s VAL 115 Ca 0.54 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 1jhh s VAL 115 Cb -0.23 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1jhh s VAL 115 CO 0.21 0.42 -0.10 -0.55 0.00 0.00 0.00 175.10 175.08 1jhh s SER 116 N -0.46 4.08 0.00 3.32 0.15 -1.26 -0.11 113.70 119.41 1jhh s SER 116 Ca 0.38 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1jhh s SER 116 Cb -0.22 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1jhh s SER 116 CO 0.25 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1jhh n GLY 117 N 4.02 0.64 1.55 9.45 0.00 -1.26 -4.77 105.19 114.82 1jhh n GLY 117 Ca -0.18 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1jhh n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jhh n MET 118 N 0.83 3.53 -0.06 1.61 2.81 -1.26 -3.18 117.12 121.40 1jhh n MET 118 Ca 0.00 -2.85 0.24 0.00 -1.81 0.00 0.00 57.70 53.27 1jhh n MET 118 Cb 0.00 -1.83 0.72 0.00 -0.71 0.00 0.00 33.22 31.40 1jhh n MET 118 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhh h ALA 119 N 4.17 2.57 -0.31 3.04 0.00 -1.87 -2.01 119.26 124.86 1jhh h ALA 119 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jhh h ALA 119 Cb 1.36 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1jhh h ALA 119 CO 0.18 -0.84 -0.01 -1.33 0.00 0.00 0.00 179.25 177.24 1jhh n MET 120 N -4.20 2.37 -0.26 0.00 2.81 -1.26 -0.21 117.12 116.38 1jhh n MET 120 Ca 0.13 -2.98 0.07 0.00 -1.81 0.00 0.00 57.70 53.11 1jhh n MET 120 Cb 0.76 -1.83 0.21 0.00 -0.71 0.00 0.00 33.22 31.65 1jhh n MET 120 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jhh h LYS 121 N 1.36 0.28 0.00 0.03 3.64 -1.17 -2.35 116.57 118.35 1jhh h LYS 121 Ca 0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jhh h LYS 121 Cb 1.56 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1jhh h LYS 121 CO 0.31 0.18 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.22 1jhh h ASP 122 N 0.28 0.00 -0.43 4.20 3.32 -0.85 -0.70 116.42 122.24 1jhh h ASP 122 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1jhh h ASP 122 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1jhh h ASP 122 CO -0.53 0.01 0.00 2.30 -1.72 0.00 0.00 179.24 179.30 1jhh n ILE 123 N -3.18 2.43 -0.85 0.35 -5.35 -0.91 -4.95 119.36 106.90 1jhh n ILE 123 Ca -0.02 -1.60 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 1jhh n ILE 123 Cb 0.14 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1jhh n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhh n GLY 124 N 0.14 0.49 3.33 3.28 0.00 -0.27 -5.03 105.19 107.12 1jhh n GLY 124 Ca 0.24 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1jhh n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhh s ILE 125 N -2.00 4.23 0.30 -0.61 1.01 -1.08 -5.01 121.20 118.04 1jhh s ILE 125 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.73 1jhh s ILE 125 Cb 0.00 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1jhh s ILE 125 CO 0.00 -0.22 0.35 -0.04 0.00 0.00 0.00 174.94 175.04 1jhh s MET 126 N 1.49 3.05 0.21 2.79 -1.94 -1.26 -2.96 119.30 120.68 1jhh s MET 126 Ca 0.00 -1.04 -0.32 0.00 -1.71 0.00 0.00 55.69 52.62 1jhh s MET 126 Cb -0.19 -2.70 -0.13 0.00 2.01 0.00 0.00 34.83 33.81 1jhh s MET 126 CO 0.05 0.21 1.49 -3.47 -0.01 0.00 0.00 175.02 173.29 1jhh n ASP 127 N -1.44 3.00 0.00 3.03 2.03 -1.19 -1.53 116.55 120.45 1jhh n ASP 127 Ca -0.04 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1jhh n ASP 127 Cb 0.58 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1jhh n ASP 127 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhh n GLY 128 N 2.67 1.50 3.76 0.27 0.00 0.84 -4.94 105.19 109.28 1jhh n GLY 128 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1jhh n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhh s ASP 129 N -3.19 4.82 -0.44 1.61 1.01 -0.58 -4.66 116.67 115.24 1jhh s ASP 129 Ca 0.00 2.09 -0.15 0.00 0.71 0.00 0.00 52.55 55.20 1jhh s ASP 129 Cb 0.00 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1jhh s ASP 129 CO 0.00 -1.83 0.35 -0.76 0.21 0.00 0.00 175.17 173.14 1jhh s LEU 130 N -4.98 5.39 -0.06 1.23 1.43 0.30 -0.74 118.68 121.24 1jhh s LEU 130 Ca 0.69 -1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.35 1jhh s LEU 130 Cb -0.23 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1jhh s LEU 130 CO 0.43 -0.56 0.92 -0.22 0.23 0.00 0.00 176.35 177.15 1jhh s LEU 131 N 1.65 4.31 -0.12 1.79 2.96 0.84 -0.84 118.68 129.28 1jhh s LEU 131 Ca 0.04 1.49 -0.24 0.00 -0.22 0.00 0.00 54.13 55.20 1jhh s LEU 131 Cb -0.22 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1jhh s LEU 131 CO 0.08 -0.30 0.76 0.00 -1.32 0.00 0.00 176.35 175.57 1jhh s ALA 132 N 1.35 3.42 -0.06 5.97 0.00 -0.12 -0.75 121.76 131.57 1jhh s ALA 132 Ca 0.47 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.55 1jhh s ALA 132 Cb -0.19 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 1jhh s ALA 132 CO 0.22 -0.37 -0.21 0.08 0.00 0.00 0.00 175.76 175.47 1jhh s VAL 133 N 1.46 1.77 -0.32 0.00 1.01 -0.11 -0.49 120.40 123.71 1jhh s VAL 133 Ca 0.38 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1jhh s VAL 133 Cb -0.17 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1jhh s VAL 133 CO 0.16 0.50 0.21 -2.28 0.00 0.00 0.00 175.10 173.69 1jhh s HIS 134 N 0.07 3.21 -0.04 5.22 5.65 0.37 -0.39 115.29 129.38 1jhh s HIS 134 Ca -0.08 -0.25 -0.30 0.00 0.25 0.00 0.00 55.06 54.69 1jhh s HIS 134 Cb -0.14 -2.43 -0.06 0.00 -1.18 0.00 0.00 32.58 28.77 1jhh s HIS 134 CO 0.04 -0.35 1.68 0.21 -0.65 0.00 0.00 174.74 175.67 1jhh s LYS 135 N 1.70 4.18 -0.20 2.88 2.20 -1.26 -0.91 119.74 128.33 1jhh s LYS 135 Ca 0.06 2.23 -0.35 0.00 -0.36 0.00 0.00 55.97 57.55 1jhh s LYS 135 Cb -0.17 -4.00 0.14 0.00 -1.51 0.00 0.00 37.83 32.29 1jhh s LYS 135 CO 0.10 -0.86 1.22 -0.08 -0.36 0.00 0.00 175.35 175.37 1jhh s THR 136 N 4.08 0.00 -0.26 3.43 -1.32 -1.25 -4.94 115.64 115.37 1jhh s THR 136 Ca 0.75 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.26 1jhh s THR 136 Cb -0.34 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.64 1jhh s THR 136 CO 0.31 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 173.07 1jhh n GLN 137 N -0.00 2.81 -2.78 7.08 6.02 -1.26 -3.45 117.38 125.80 1jhh n GLN 137 Ca 0.00 -0.34 -0.43 0.00 -0.01 0.00 0.00 57.00 56.23 1jhh n GLN 137 Cb 0.58 -0.84 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 1jhh n GLN 137 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jhh s ASP 138 N -0.77 6.51 0.28 1.08 2.15 -1.26 -4.96 116.67 119.69 1jhh s ASP 138 Ca 0.02 -1.64 0.03 0.00 0.43 0.00 0.00 52.55 51.39 1jhh s ASP 138 Cb 0.02 -2.47 -0.06 0.00 -0.30 0.00 0.00 42.92 40.12 1jhh s ASP 138 CO 0.08 -1.30 0.06 0.68 -0.17 0.00 0.00 175.17 174.52 1jhh s VAL 139 N 3.77 0.90 0.22 1.11 -7.23 -1.26 -5.05 120.40 112.86 1jhh s VAL 139 Ca 0.36 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1jhh s VAL 139 Cb -0.05 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1jhh s VAL 139 CO -0.06 -0.08 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.47 1jhh s ARG 140 N -3.94 1.31 0.29 4.82 0.52 -1.26 -5.11 118.95 115.58 1jhh s ARG 140 Ca 0.35 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.63 1jhh s ARG 140 Cb 0.08 -0.77 -0.13 0.00 0.52 0.00 0.00 34.95 34.65 1jhh s ARG 140 CO 0.13 0.00 1.33 0.09 0.02 0.00 0.00 175.30 176.88 1jhh n ASN 141 N -0.39 2.70 0.00 0.23 5.03 -1.26 -2.27 115.26 119.30 1jhh n ASN 141 Ca -0.07 1.18 0.00 0.00 0.87 0.00 0.00 54.58 56.56 1jhh n ASN 141 Cb 0.63 -1.45 0.00 0.00 -1.02 0.00 0.00 39.78 37.93 1jhh n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jhh n GLY 142 N 1.45 1.57 3.86 7.41 0.00 0.73 -4.99 105.19 115.23 1jhh n GLY 142 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1jhh n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jhh s GLN 143 N -0.66 3.88 -0.32 1.61 -0.21 -0.96 -4.74 119.66 118.26 1jhh s GLN 143 Ca 0.00 0.47 -0.24 0.00 0.02 0.00 0.00 55.36 55.61 1jhh s GLN 143 Cb 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.51 1jhh s GLN 143 CO 0.00 0.18 0.80 0.08 -2.12 0.00 0.00 175.29 174.23 1jhh s VAL 144 N -2.00 4.76 0.31 1.09 1.01 -1.26 -1.42 120.40 122.89 1jhh s VAL 144 Ca 0.51 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.72 1jhh s VAL 144 Cb -0.11 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1jhh s VAL 144 CO 0.22 -0.31 -0.10 0.68 0.00 0.00 0.00 175.10 175.59 1jhh s VAL 145 N 3.03 2.05 -0.29 2.92 -7.23 -0.45 -1.76 120.40 118.66 1jhh s VAL 145 Ca 0.33 -2.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1jhh s VAL 145 Cb -0.14 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1jhh s VAL 145 CO 0.14 -0.28 0.12 -0.69 -0.31 0.00 0.00 175.10 174.08 1jhh s VAL 146 N -2.75 4.45 0.17 1.32 1.01 -0.40 -2.32 120.40 121.87 1jhh s VAL 146 Ca 0.31 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1jhh s VAL 146 Cb 0.02 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1jhh s VAL 146 CO 0.14 0.16 -0.20 0.00 0.00 0.00 0.00 175.10 175.21 1jhh s ALA 147 N 1.60 2.11 -0.17 5.51 0.00 -0.35 0.04 121.76 130.49 1jhh s ALA 147 Ca 0.05 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.51 1jhh s ALA 147 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1jhh s ALA 147 CO 0.05 0.29 -0.15 0.50 0.00 0.00 0.00 175.76 176.45 1jhh s ARG 148 N -2.69 3.16 -0.28 0.00 3.52 -0.33 -0.76 118.95 121.58 1jhh s ARG 148 Ca 0.16 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.98 1jhh s ARG 148 Cb -0.07 -2.67 0.04 0.00 -1.56 0.00 0.00 34.95 30.70 1jhh s ARG 148 CO 0.07 -0.10 -0.02 0.42 -0.81 0.00 0.00 175.30 174.87 1jhh s ILE 149 N 1.09 2.96 -1.31 4.11 1.09 0.18 -2.15 121.20 127.17 1jhh s ILE 149 Ca -0.00 -1.27 -0.25 0.00 -1.10 0.00 0.00 60.65 58.03 1jhh s ILE 149 Cb -0.14 -2.65 0.03 0.00 -1.06 0.00 0.00 42.46 38.64 1jhh s ILE 149 CO -0.05 -0.02 0.50 0.47 -0.10 0.00 0.00 174.94 175.74 1jhh n ASP 150 N 4.64 -2.71 0.00 3.58 8.00 -0.58 -0.24 116.55 129.24 1jhh n ASP 150 Ca -0.14 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1jhh n ASP 150 Cb 0.44 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 1jhh n ASP 150 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jhh n ASP 151 N -2.38 0.00 -4.74 -2.24 8.00 -1.26 -4.99 116.55 108.94 1jhh n ASP 151 Ca -0.17 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.93 1jhh n ASP 151 Cb 0.60 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 1jhh n ASP 151 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jhh s GLU 152 N 0.00 4.42 -0.04 -1.24 2.02 0.67 -4.75 118.70 119.78 1jhh s GLU 152 Ca 0.00 0.90 -0.05 0.00 0.02 0.00 0.00 54.97 55.84 1jhh s GLU 152 Cb 0.00 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1jhh s GLU 152 CO 0.00 0.26 0.20 0.08 0.02 0.00 0.00 175.26 175.82 1jhh s VAL 153 N 0.10 5.42 0.06 2.63 1.01 -1.26 0.50 120.40 128.86 1jhh s VAL 153 Ca 0.36 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 1jhh s VAL 153 Cb -0.19 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1jhh s VAL 153 CO 0.20 0.44 0.37 0.28 0.00 0.00 0.00 175.10 176.39 1jhh s THR 154 N -1.21 0.07 -0.27 3.92 -1.32 0.06 -4.98 115.64 111.91 1jhh s THR 154 Ca 0.23 -0.56 -0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1jhh s THR 154 Cb -0.13 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1jhh s THR 154 CO 0.13 -0.31 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.48 1jhh s VAL 155 N -2.80 2.65 0.23 5.08 1.01 -1.26 -1.21 120.40 124.10 1jhh s VAL 155 Ca -0.03 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 1jhh s VAL 155 Cb -0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1jhh s VAL 155 CO -0.05 0.04 0.42 -0.54 0.00 0.00 0.00 175.10 174.97 1jhh s LYS 156 N 1.23 1.44 0.03 2.72 -0.14 -0.98 -4.80 119.74 119.24 1jhh s LYS 156 Ca -0.04 -1.25 -0.24 0.00 -1.36 0.00 0.00 55.97 53.08 1jhh s LYS 156 Cb -0.19 0.44 -0.05 0.00 -1.68 0.00 0.00 37.83 36.35 1jhh s LYS 156 CO -0.04 -0.58 0.74 0.50 -0.76 0.00 0.00 175.35 175.21 1jhh s ARG 157 N -4.01 4.47 0.09 1.68 3.52 0.27 -1.35 118.95 123.61 1jhh s ARG 157 Ca 0.22 1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 56.58 1jhh s ARG 157 Cb 0.01 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 1jhh s ARG 157 CO 0.07 0.28 0.81 -1.17 -0.81 0.00 0.00 175.30 174.47 1jhh s LEU 158 N -0.01 4.49 -0.31 -0.88 2.96 -0.51 -0.25 118.68 124.18 1jhh s LEU 158 Ca 0.38 1.56 -0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1jhh s LEU 158 Cb -0.20 -3.32 0.12 0.00 0.50 0.00 0.00 46.19 43.30 1jhh s LEU 158 CO 0.22 0.05 0.23 -0.75 -1.32 0.00 0.00 176.35 174.77 1jhh s LYS 159 N -0.31 0.33 0.42 1.98 2.20 -0.59 -0.19 119.74 123.58 1jhh s LYS 159 Ca 0.39 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 55.22 1jhh s LYS 159 Cb -0.22 -0.95 -0.08 0.00 -1.51 0.00 0.00 37.83 35.08 1jhh s LYS 159 CO 0.25 -1.07 1.23 0.15 -0.36 0.00 0.00 175.35 175.55 1jhh s LYS 160 N 1.98 3.93 -0.41 4.03 1.02 -1.26 -0.78 119.74 128.24 1jhh s LYS 160 Ca 0.11 1.97 0.08 0.00 0.02 0.00 0.00 55.97 58.16 1jhh s LYS 160 Cb -0.16 -2.65 0.27 0.00 -0.52 0.00 0.00 37.83 34.77 1jhh s LYS 160 CO -0.27 -0.47 0.68 1.04 -0.92 0.00 0.00 175.35 175.41 1jhh n GLN 161 N -0.04 0.79 0.00 1.68 1.13 0.25 -4.86 117.38 116.32 1jhh n GLN 161 Ca 0.05 -2.84 0.00 0.00 -1.94 0.00 0.00 57.00 52.27 1jhh n GLN 161 Cb 0.45 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.46 1jhh n GLN 161 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jhh n GLY 162 N 1.19 2.27 0.68 1.08 0.00 -1.26 -1.72 105.19 107.43 1jhh n GLY 162 Ca 0.18 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1jhh n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jhh n ASN 163 N 10.22 2.05 -4.51 1.61 5.03 -1.26 -4.88 115.26 123.52 1jhh n ASN 163 Ca 0.00 -1.77 -0.25 0.00 0.87 0.00 0.00 54.58 53.44 1jhh n ASN 163 Cb 0.00 -0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 38.53 1jhh n ASN 163 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1jhh s LYS 164 N -1.75 1.74 -0.02 3.52 1.02 -0.70 -0.93 119.74 122.61 1jhh s LYS 164 Ca 0.33 -1.88 0.01 0.00 0.02 0.00 0.00 55.97 54.46 1jhh s LYS 164 Cb 0.19 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.91 1jhh s LYS 164 CO 0.28 0.15 -0.03 0.08 -0.92 0.00 0.00 175.35 174.90 1jhh s VAL 165 N -2.68 0.38 -0.17 3.17 1.01 -0.01 -0.59 120.40 121.51 1jhh s VAL 165 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1jhh s VAL 165 Cb 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1jhh s VAL 165 CO 0.15 0.16 -0.04 -1.61 0.00 0.00 0.00 175.10 173.76 1jhh s GLU 166 N 0.57 3.58 -0.40 2.72 2.02 0.04 0.78 118.70 127.99 1jhh s GLU 166 Ca -0.07 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.26 1jhh s GLU 166 Cb -0.10 -2.93 0.05 0.00 0.10 0.00 0.00 34.13 31.25 1jhh s GLU 166 CO -0.00 0.12 0.24 -0.51 0.02 0.00 0.00 175.26 175.13 1jhh s LEU 167 N 0.68 4.97 0.03 1.80 1.43 0.13 -1.54 118.68 126.19 1jhh s LEU 167 Ca -0.02 -1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 51.63 1jhh s LEU 167 Cb -0.15 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1jhh s LEU 167 CO 0.02 -0.47 0.65 -0.76 0.23 0.00 0.00 176.35 176.02 1jhh s LEU 168 N 1.51 4.45 0.62 1.79 1.02 0.65 -1.74 118.68 126.98 1jhh s LEU 168 Ca 0.02 1.29 0.00 0.00 0.02 0.00 0.00 54.13 55.47 1jhh s LEU 168 Cb -0.21 -3.03 0.07 0.00 0.02 0.00 0.00 46.19 43.03 1jhh s LEU 168 CO 0.05 0.11 0.86 -2.16 0.02 0.00 0.00 176.35 175.23 1jhh s PRO 169 N -0.33 2.23 -0.51 1.29 0.04 -1.26 -0.57 135.00 135.88 1jhh s PRO 169 Ca 0.33 -0.89 0.07 0.00 0.04 0.00 0.00 61.00 60.56 1jhh s PRO 169 Cb -0.19 -2.42 0.28 0.00 0.04 0.00 0.00 34.50 32.21 1jhh s PRO 169 CO 0.20 -0.99 0.71 0.39 0.04 0.00 0.00 177.00 177.34 1jhh n GLU 170 N -2.54 1.86 -3.50 4.56 -0.58 0.71 -4.92 120.64 116.23 1jhh n GLU 170 Ca 0.11 -4.06 0.00 0.00 -0.42 0.00 0.00 57.16 52.78 1jhh n GLU 170 Cb 0.60 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1jhh n GLU 170 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1jhh s ASN 171 N -2.25 -0.72 0.60 1.62 3.84 -1.21 -0.16 114.94 116.67 1jhh s ASN 171 Ca 0.40 1.01 0.33 0.00 0.21 0.00 0.00 52.86 54.81 1jhh s ASN 171 Cb 0.21 1.75 1.89 0.00 -0.55 0.00 0.00 41.25 44.55 1jhh s ASN 171 CO -0.07 -0.14 2.25 0.77 -2.79 0.00 0.00 177.10 177.11 1jhh h SER 172 N 7.43 0.00 1.24 -4.21 4.64 -1.94 -1.36 113.55 119.35 1jhh h SER 172 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1jhh h SER 172 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1jhh h SER 172 CO 0.10 0.02 0.00 -0.33 -0.87 0.00 0.00 176.83 175.75 1jhh h GLU 173 N 0.00 0.00 -6.39 4.77 5.08 -1.98 -3.45 114.58 112.60 1jhh h GLU 173 Ca -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1jhh h GLU 173 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jhh h GLU 173 CO 0.00 0.00 -0.29 -0.06 -1.00 0.00 0.00 179.01 177.67 1jhh s PHE 174 N -3.43 3.45 0.24 4.33 0.08 -0.51 -5.13 117.98 117.01 1jhh s PHE 174 Ca 0.04 0.17 0.09 0.00 0.12 0.00 0.00 56.93 57.35 1jhh s PHE 174 Cb 0.08 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1jhh s PHE 174 CO 0.55 0.21 -0.15 -1.59 -0.10 0.00 0.00 175.22 174.15 1jhh s LYS 175 N -4.19 1.49 0.76 0.44 -2.85 -1.26 -4.90 119.74 109.22 1jhh s LYS 175 Ca 0.38 -1.69 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 1jhh s LYS 175 Cb -0.09 -1.34 0.06 0.00 -2.06 0.00 0.00 37.83 34.39 1jhh s LYS 175 CO 0.33 0.20 1.21 -2.14 0.10 0.00 0.00 175.35 175.06 1jhh s PRO 176 N -3.62 1.90 -0.22 1.78 0.02 -1.26 -4.74 135.00 128.87 1jhh s PRO 176 Ca 0.26 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 63.01 1jhh s PRO 176 Cb -0.01 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.68 1jhh s PRO 176 CO 0.10 -2.02 0.01 0.42 -0.33 0.00 0.00 177.00 175.18 1jhh s ILE 177 N -2.02 3.91 -0.25 2.83 1.01 -0.71 -4.94 121.20 121.03 1jhh s ILE 177 Ca 0.74 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1jhh s ILE 177 Cb -0.30 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1jhh s ILE 177 CO 0.48 0.40 0.16 -0.69 0.00 0.00 0.00 174.94 175.30 1jhh s VAL 178 N 1.25 5.28 -0.19 2.92 1.01 -1.26 0.19 120.40 129.61 1jhh s VAL 178 Ca 0.04 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1jhh s VAL 178 Cb -0.15 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1jhh s VAL 178 CO 0.01 0.31 -0.02 -0.69 0.00 0.00 0.00 175.10 174.72 1jhh s VAL 179 N 1.32 3.87 -0.45 2.92 1.01 0.23 -4.95 120.40 124.35 1jhh s VAL 179 Ca 0.07 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1jhh s VAL 179 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1jhh s VAL 179 CO 0.07 0.45 0.55 -0.62 0.00 0.00 0.00 175.10 175.54 1jhh s ASP 180 N 0.85 6.24 0.38 3.32 3.68 -1.26 -0.83 116.67 129.04 1jhh s ASP 180 Ca 0.00 -0.66 0.26 0.00 2.13 0.00 0.00 52.55 54.28 1jhh s ASP 180 Cb -0.14 -2.27 1.34 0.00 -1.45 0.00 0.00 42.92 40.40 1jhh s ASP 180 CO 0.02 -0.73 1.80 -0.07 0.13 0.00 0.00 175.17 176.32 1jhh h LEU 181 N 9.41 0.00 0.00 -1.34 3.38 -1.30 -1.48 115.31 123.97 1jhh h LEU 181 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1jhh h LEU 181 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jhh h LEU 181 CO 0.87 0.00 -0.13 0.03 0.09 0.00 0.00 178.44 179.30 1jhh h ARG 182 N 0.00 0.00 0.00 1.13 3.08 -1.92 -3.37 114.38 113.30 1jhh h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jhh h ARG 182 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jhh h ARG 182 CO 0.00 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1jhh n GLN 183 N -3.12 0.34 -4.20 0.04 10.64 -0.80 -5.08 117.38 115.20 1jhh n GLN 183 Ca 0.03 -0.53 -0.19 0.00 -1.83 0.00 0.00 57.00 54.48 1jhh n GLN 183 Cb 0.58 -0.71 -0.12 0.00 -0.86 0.00 0.00 30.24 29.13 1jhh n GLN 183 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1jhh s GLN 184 N -0.19 0.88 0.03 2.61 -0.21 -0.63 -5.05 119.66 117.12 1jhh s GLN 184 Ca 0.00 -1.00 -0.27 0.00 0.02 0.00 0.00 55.36 54.11 1jhh s GLN 184 Cb 0.00 -0.95 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 1jhh s GLN 184 CO 0.00 0.21 0.85 -1.54 -2.12 0.00 0.00 175.29 172.69 1jhh s SER 185 N -1.78 7.28 -0.09 5.90 1.04 -1.26 -4.66 113.70 120.12 1jhh s SER 185 Ca -0.00 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 1jhh s SER 185 Cb -0.10 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.56 1jhh s SER 185 CO 0.03 -0.08 0.21 0.12 0.98 0.00 0.00 173.24 174.50 1jhh s PHE 186 N 0.31 -0.28 -0.01 5.02 2.19 -1.26 -1.53 117.98 122.42 1jhh s PHE 186 Ca 0.43 0.70 -0.06 0.00 0.33 0.00 0.00 56.93 58.34 1jhh s PHE 186 Cb -0.21 -0.03 0.00 0.00 -1.31 0.00 0.00 43.02 41.48 1jhh s PHE 186 CO 0.25 -0.23 0.11 0.95 1.83 0.00 0.00 175.22 178.13 1jhh s THR 187 N 1.44 0.07 -0.19 0.12 -4.23 -0.91 -5.00 115.64 106.93 1jhh s THR 187 Ca -0.07 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 1jhh s THR 187 Cb -0.11 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 1jhh s THR 187 CO -0.08 -0.30 0.51 -0.63 -0.54 0.00 0.00 174.62 173.58 1jhh s ILE 188 N -1.02 5.12 -0.11 2.99 -1.09 -1.26 -1.18 121.20 124.65 1jhh s ILE 188 Ca -0.11 0.94 0.16 0.00 -2.23 0.00 0.00 60.65 59.41 1jhh s ILE 188 Cb -0.06 -3.83 -0.19 0.00 -1.58 0.00 0.00 42.46 36.80 1jhh s ILE 188 CO 0.01 0.19 0.66 -0.62 -1.23 0.00 0.00 174.94 173.95 1jhh n GLU 189 N 4.70 0.63 -3.41 2.79 -0.58 0.11 -4.66 120.64 120.22 1jhh n GLU 189 Ca -0.05 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1jhh n GLU 189 Cb 0.50 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1jhh n GLU 189 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jhh n GLY 190 N 1.47 -1.79 3.49 0.62 0.00 -1.10 -3.82 105.19 104.05 1jhh n GLY 190 Ca -0.14 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1jhh n GLY 190 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jhh s LEU 191 N 0.00 3.09 0.03 0.99 2.96 -0.09 -1.28 118.68 124.38 1jhh s LEU 191 Ca 0.00 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 1jhh s LEU 191 Cb 0.00 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1jhh s LEU 191 CO 0.00 0.22 1.16 0.00 -1.32 0.00 0.00 176.35 176.40 1jhh s ALA 192 N 0.05 3.37 0.00 5.97 0.00 -0.72 -0.48 121.76 129.94 1jhh s ALA 192 Ca -0.02 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1jhh s ALA 192 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1jhh s ALA 192 CO 0.03 -0.46 0.56 1.33 0.00 0.00 0.00 175.76 177.22 1jhh n VAL 193 N 4.05 0.26 0.00 0.00 0.24 0.35 -4.86 118.33 118.38 1jhh n VAL 193 Ca 0.09 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1jhh n VAL 193 Cb 0.47 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1jhh n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhh n GLY 194 N -0.13 -0.79 3.07 7.63 0.00 -1.20 -4.53 105.19 109.23 1jhh n GLY 194 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1jhh n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhh s VAL 195 N -2.00 0.05 -0.10 1.61 1.01 -1.26 -0.94 120.40 118.76 1jhh s VAL 195 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1jhh s VAL 195 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1jhh s VAL 195 CO 0.00 -0.22 -0.08 -0.63 0.00 0.00 0.00 175.10 174.17 1jhh s ILE 196 N -0.74 1.03 -0.20 2.22 1.01 -0.02 -4.94 121.20 119.56 1jhh s ILE 196 Ca -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1jhh s ILE 196 Cb -0.05 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1jhh s ILE 196 CO 0.01 0.36 -0.06 -0.60 0.00 0.00 0.00 174.94 174.65 1jhh s ARG 197 N 1.52 3.40 0.00 2.79 3.52 -1.26 -0.54 118.95 128.38 1jhh s ARG 197 Ca 0.01 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1jhh s ARG 197 Cb -0.13 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1jhh s ARG 197 CO -0.06 -0.10 0.06 0.27 -0.81 0.00 0.00 175.30 174.66