#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh n GLU 2 N 0.00 0.36 -4.50 2.61 1.02 -1.26 -5.00 120.64 113.87 2jmh n GLU 2 Ca 0.00 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 2jmh n GLU 2 Cb 0.00 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 2jmh n GLU 2 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2jmh s HIS 3 N -2.29 3.03 0.41 -0.32 -3.43 -1.26 -5.12 115.29 106.31 2jmh s HIS 3 Ca -0.20 0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.14 2jmh s HIS 3 Cb 0.05 -1.73 -0.03 0.00 -1.43 0.00 0.00 32.58 29.44 2jmh s HIS 3 CO 0.33 0.40 0.64 0.15 -2.00 0.00 0.00 174.74 174.26 2jmh s LYS 4 N -0.92 3.43 0.68 -0.38 3.01 -1.26 -5.10 119.74 119.21 2jmh s LYS 4 Ca 0.13 -0.20 -0.11 0.00 -1.01 0.00 0.00 55.97 54.78 2jmh s LYS 4 Cb -0.11 -2.56 0.17 0.00 -1.01 0.00 0.00 37.83 34.32 2jmh s LYS 4 CO 0.03 -0.03 0.61 -0.35 0.51 0.00 0.00 175.35 176.11 2jmh n PRO 5 N -1.98 -2.20 -1.68 -1.68 -0.04 -1.26 -4.90 135.00 121.25 2jmh n PRO 5 Ca -0.02 -0.97 -0.45 0.00 -0.04 0.00 0.00 63.50 62.02 2jmh n PRO 5 Cb 0.56 -0.91 -0.04 0.00 -0.04 0.00 0.00 33.50 33.07 2jmh n PRO 5 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jmh n LYS 6 N -3.36 2.47 -2.67 0.54 2.85 -1.26 -4.96 118.16 111.77 2jmh n LYS 6 Ca 0.08 0.90 -0.32 0.00 -1.05 0.00 0.00 58.31 57.92 2jmh n LYS 6 Cb 0.33 -2.75 -0.05 0.00 -0.65 0.00 0.00 35.03 31.91 2jmh n LYS 6 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2jmh s LYS 7 N 2.63 4.04 0.26 -1.58 2.20 -1.26 -4.97 119.74 121.06 2jmh s LYS 7 Ca 0.84 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 57.35 2jmh s LYS 7 Cb -0.59 -2.21 0.37 0.00 -1.51 0.00 0.00 37.83 33.90 2jmh s LYS 7 CO 0.41 -0.12 1.90 -0.44 -0.36 0.00 0.00 175.35 176.74 2jmh h ASP 8 N 1.44 1.07 -0.74 1.43 3.32 -2.05 -2.08 116.42 118.81 2jmh h ASP 8 Ca -0.48 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 2jmh h ASP 8 Cb 1.18 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 2jmh h ASP 8 CO 0.62 0.71 0.48 -0.78 -1.72 0.00 0.00 179.24 178.55 2jmh h ASP 9 N 1.23 0.83 -1.83 6.45 3.58 -2.02 -3.39 116.42 121.28 2jmh h ASP 9 Ca 0.42 -0.02 -0.48 0.00 0.42 0.00 0.00 57.03 57.36 2jmh h ASP 9 Cb 0.08 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2jmh h ASP 9 CO -0.15 0.60 1.47 0.12 -2.88 0.00 0.00 179.24 178.41 2jmh s PHE 10 N -6.13 1.41 -0.08 0.28 2.19 -0.78 -4.92 117.98 109.94 2jmh s PHE 10 Ca -0.13 1.12 -0.02 0.00 0.33 0.00 0.00 56.93 58.23 2jmh s PHE 10 Cb 0.15 -3.87 0.03 0.00 -1.31 0.00 0.00 43.02 38.02 2jmh s PHE 10 CO 0.78 -2.42 0.03 0.50 1.83 0.00 0.00 175.22 175.94 2jmh s ARG 11 N 7.55 0.33 -0.67 10.12 3.52 -1.26 -4.74 118.95 133.79 2jmh s ARG 11 Ca 0.80 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 56.60 2jmh s ARG 11 Cb -0.15 -0.97 0.19 0.00 -1.56 0.00 0.00 34.95 32.46 2jmh s ARG 11 CO 0.23 -0.37 0.55 -1.71 -0.81 0.00 0.00 175.30 173.19 2jmh n ASN 12 N 5.20 2.98 -0.01 -2.12 2.85 -1.26 -4.92 115.26 117.98 2jmh n ASN 12 Ca -0.06 -3.22 -0.04 0.00 -0.11 0.00 0.00 54.58 51.16 2jmh n ASN 12 Cb 0.50 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.76 2jmh n ASN 12 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2jmh h GLU 13 N 5.10 -0.10 -2.97 1.20 4.81 -2.02 -3.36 114.58 117.24 2jmh h GLU 13 Ca 0.17 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.73 2jmh h GLU 13 Cb 0.74 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.16 2jmh h GLU 13 CO 0.72 0.08 3.76 1.19 -0.73 0.00 0.00 179.01 184.04 2jmh n PHE 14 N -4.83 2.41 0.13 0.92 3.72 -1.26 -4.62 117.46 113.93 2jmh n PHE 14 Ca -0.03 -3.07 -0.13 0.00 -0.05 0.00 0.00 57.45 54.17 2jmh n PHE 14 Cb 0.11 -2.46 -0.08 0.00 -0.94 0.00 0.00 39.48 36.10 2jmh n PHE 14 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jmh h ASP 15 N 4.96 -0.27 -6.08 4.37 3.04 -1.99 -3.47 116.42 116.97 2jmh h ASP 15 Ca 0.87 -0.19 -0.40 0.00 -3.24 0.00 0.00 57.03 54.06 2jmh h ASP 15 Cb 0.29 0.07 0.09 0.00 -1.04 0.00 0.00 39.33 38.75 2jmh h ASP 15 CO 1.76 0.06 -0.90 1.57 -2.04 0.00 0.00 179.24 179.68 2jmh n HIS 16 N -5.10 -1.99 -3.79 4.15 -0.00 -1.26 -5.00 115.22 102.22 2jmh n HIS 16 Ca -0.09 0.61 -0.13 0.00 0.46 0.00 0.00 57.72 58.57 2jmh n HIS 16 Cb 0.24 -3.74 -0.10 0.00 -0.12 0.00 0.00 29.99 26.27 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2jmh s LEU 17 N -6.34 1.04 0.01 0.27 1.43 -1.26 -5.06 118.68 108.77 2jmh s LEU 17 Ca 0.36 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 2jmh s LEU 17 Cb -0.11 1.02 -0.02 0.00 0.03 0.00 0.00 46.19 47.11 2jmh s LEU 17 CO 0.83 -0.30 1.08 -0.07 0.23 0.00 0.00 176.35 178.12 2jmh h LEU 18 N 4.62 -0.19 -0.83 1.79 4.07 -2.00 -0.89 115.31 121.89 2jmh h LEU 18 Ca -0.29 0.01 0.15 0.00 0.08 0.00 0.00 57.88 57.84 2jmh h LEU 18 Cb 1.19 0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.89 2jmh h LEU 18 CO 0.38 -0.10 0.39 0.40 -1.08 0.00 0.00 178.44 178.43 2jmh h ILE 19 N -0.15 0.67 -0.17 1.22 1.08 -1.98 -1.14 117.51 117.04 2jmh h ILE 19 Ca -0.01 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2jmh h ILE 19 Cb 0.12 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 33.90 2jmh h ILE 19 CO -0.00 0.10 -0.26 -0.33 -0.69 0.00 0.00 178.15 176.96 2jmh h GLU 20 N 0.54 -0.30 -0.67 2.37 4.39 -1.94 0.27 114.58 119.25 2jmh h GLU 20 Ca 0.46 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 2jmh h GLU 20 Cb 0.70 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 2jmh h GLU 20 CO -0.40 -0.20 0.39 0.37 -1.16 0.00 0.00 179.01 178.02 2jmh h GLN 21 N -0.31 0.91 -0.61 2.33 -0.00 -0.23 -1.46 115.11 115.74 2jmh h GLN 21 Ca 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2jmh h GLN 21 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 2jmh h GLN 21 CO -0.35 0.66 0.40 0.00 0.00 0.00 0.00 178.83 179.53 2jmh h ALA 22 N 1.20 0.78 -0.65 3.38 0.00 -0.45 -0.73 119.26 122.80 2jmh h ALA 22 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jmh h ALA 22 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2jmh h ALA 22 CO -0.04 0.22 0.20 -0.91 0.00 0.00 0.00 179.25 178.72 2jmh h ASN 23 N 0.83 0.95 -0.70 0.00 2.35 -0.15 -1.38 115.58 117.48 2jmh h ASN 23 Ca 0.22 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2jmh h ASN 23 Cb -0.07 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 2jmh h ASN 23 CO -0.05 0.91 0.17 -0.74 -1.65 0.00 0.00 177.43 176.08 2jmh h HIS 24 N 0.94 1.17 0.11 1.19 2.76 -0.90 0.24 115.15 120.66 2jmh h HIS 24 Ca 0.21 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2jmh h HIS 24 Cb 0.30 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2jmh h HIS 24 CO 0.02 0.95 -0.05 0.00 -1.30 0.00 0.00 177.93 177.55 2jmh h ALA 25 N 1.08 -0.15 -0.17 5.26 0.00 -0.90 -1.49 119.26 122.90 2jmh h ALA 25 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jmh h ALA 25 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jmh h ALA 25 CO 0.00 -0.45 -0.08 -0.84 0.00 0.00 0.00 179.25 177.88 2jmh h ILE 26 N -0.42 1.16 0.20 0.00 3.07 -1.21 -1.47 117.51 118.84 2jmh h ILE 26 Ca -0.02 -0.69 -0.01 0.00 1.55 0.00 0.00 64.86 65.69 2jmh h ILE 26 Cb 0.34 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2jmh h ILE 26 CO 0.03 0.22 -0.09 -0.08 -1.05 0.00 0.00 178.15 177.17 2jmh h GLU 27 N 0.26 -0.25 -0.52 0.16 4.57 -0.81 0.27 114.58 118.25 2jmh h GLU 27 Ca 0.06 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jmh h GLU 27 Cb 0.32 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 2jmh h GLU 27 CO 0.02 0.08 0.35 -0.22 -1.18 0.00 0.00 179.01 178.05 2jmh h LYS 28 N -0.61 0.69 -0.35 1.92 3.64 -1.14 -0.89 116.57 119.83 2jmh h LYS 28 Ca -0.03 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 2jmh h LYS 28 Cb 0.45 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2jmh h LYS 28 CO 0.04 0.46 -0.15 0.78 -2.27 0.00 0.00 179.45 178.31 2jmh h GLY 29 N 0.71 0.67 1.21 5.01 0.00 -1.28 -1.34 103.07 108.05 2jmh h GLY 29 Ca 0.19 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 2jmh h GLY 29 CO -0.04 0.46 -0.29 -2.09 0.00 0.00 0.00 176.54 174.58 2jmh h GLU 30 N 0.56 0.88 0.20 4.80 4.81 -0.51 -0.62 114.58 124.70 2jmh h GLU 30 Ca 0.10 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2jmh h GLU 30 Cb 0.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2jmh h GLU 30 CO 0.04 1.05 -0.09 1.25 -0.73 0.00 0.00 179.01 180.53 2jmh h HIS 31 N 0.75 -0.25 -0.65 0.92 2.76 -1.01 -1.22 115.15 116.45 2jmh h HIS 31 Ca 0.08 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2jmh h HIS 31 Cb 0.85 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 2jmh h HIS 31 CO 0.05 0.15 0.42 -0.56 -1.30 0.00 0.00 177.93 176.70 2jmh h GLN 32 N -0.75 0.86 0.13 5.26 -0.00 -1.30 -1.71 115.11 117.59 2jmh h GLN 32 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2jmh h GLN 32 Cb 0.51 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.80 2jmh h GLN 32 CO 0.04 0.57 -0.06 1.25 -0.00 0.00 0.00 178.83 180.64 2jmh h LEU 33 N 0.88 -0.14 -0.68 0.06 7.12 -1.11 0.24 115.31 121.67 2jmh h LEU 33 Ca 0.24 -0.29 0.09 0.00 0.13 0.00 0.00 57.88 58.05 2jmh h LEU 33 Cb -0.09 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.00 2jmh h LEU 33 CO -0.05 0.23 0.32 -0.07 -0.13 0.00 0.00 178.44 178.74 2jmh h LEU 34 N -0.54 0.40 -0.54 2.25 3.38 -0.98 0.69 115.31 119.97 2jmh h LEU 34 Ca -0.02 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2jmh h LEU 34 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2jmh h LEU 34 CO 0.03 0.23 -0.72 0.22 0.09 0.00 0.00 178.44 178.29 2jmh h TYR 35 N 0.55 0.16 -0.01 1.13 3.20 -1.30 -3.09 116.97 117.60 2jmh h TYR 35 Ca 0.34 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 2jmh h TYR 35 Cb 0.37 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2jmh h TYR 35 CO -0.12 0.79 -0.43 1.25 -1.64 0.00 0.00 178.16 178.01 2jmh h LEU 36 N 0.08 0.03 -0.95 2.82 5.85 0.79 -3.00 115.31 120.92 2jmh h LEU 36 Ca -0.02 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.86 2jmh h LEU 36 Cb 1.27 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 2jmh h LEU 36 CO 0.10 0.46 0.54 -0.61 -0.34 0.00 0.00 178.44 178.59 2jmh h GLN 37 N 0.02 0.70 0.39 1.25 5.75 -0.83 -1.25 115.11 121.14 2jmh h GLN 37 Ca -0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2jmh h GLN 37 Cb 0.77 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 2jmh h GLN 37 CO 0.06 0.46 -0.24 1.25 -2.65 0.00 0.00 178.83 177.71 2jmh h HIS 38 N 0.72 -0.62 -0.95 3.99 2.76 -1.68 -1.23 115.15 118.14 2jmh h HIS 38 Ca 0.53 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.80 2jmh h HIS 38 Cb 0.79 0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.89 2jmh h HIS 38 CO -0.04 -0.37 0.59 1.96 -1.30 0.00 0.00 177.93 178.77 2jmh h GLN 39 N -0.60 0.94 0.10 5.26 1.08 -1.46 -1.36 115.11 119.07 2jmh h GLN 39 Ca -0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2jmh h GLN 39 Cb 0.49 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jmh h GLN 39 CO 0.04 0.62 -0.05 1.25 -0.95 0.00 0.00 178.83 179.75 2jmh h LEU 40 N 0.97 -0.12 -0.68 1.46 7.12 -0.91 0.24 115.31 123.39 2jmh h LEU 40 Ca 0.46 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.50 2jmh h LEU 40 Cb 0.39 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 2jmh h LEU 40 CO -0.24 -0.05 0.38 -0.78 -0.13 0.00 0.00 178.44 177.62 2jmh h ASP 41 N -0.17 0.57 0.03 1.25 3.58 -0.62 0.65 116.42 121.70 2jmh h ASP 41 Ca -0.01 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 2jmh h ASP 41 Cb 0.13 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2jmh h ASP 41 CO 0.02 0.37 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.29 2jmh h GLU 42 N 0.70 0.46 -0.02 0.28 4.57 -1.03 -2.88 114.58 116.67 2jmh h GLU 42 Ca 0.31 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.15 2jmh h GLU 42 Cb 0.19 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2jmh h GLU 42 CO -0.18 0.77 -0.52 1.25 -1.18 0.00 0.00 179.01 179.15 2jmh h LEU 43 N 0.39 0.05 -0.56 1.64 6.46 0.42 0.69 115.31 124.40 2jmh h LEU 43 Ca 0.04 -0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2jmh h LEU 43 Cb 0.84 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 2jmh h LEU 43 CO 0.07 0.56 0.15 0.78 -0.62 0.00 0.00 178.44 179.38 2jmh h ASN 44 N 0.04 0.08 0.03 1.25 2.35 -0.68 0.32 115.58 118.97 2jmh h ASN 44 Ca -0.00 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 2jmh h ASN 44 Cb 0.93 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 2jmh h ASN 44 CO 0.07 0.06 -1.49 -0.62 -1.65 0.00 0.00 177.43 173.80 2jmh n GLU 45 N -5.08 0.61 -0.27 0.81 -0.58 -1.19 -4.20 120.64 110.75 2jmh n GLU 45 Ca 0.07 0.49 0.15 0.00 -0.42 0.00 0.00 57.16 57.45 2jmh n GLU 45 Cb 0.27 -1.73 0.43 0.00 -0.57 0.00 0.00 31.44 29.84 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2jmh h ASN 46 N -0.73 0.57 -6.06 1.62 -1.24 -0.83 -3.45 115.58 105.45 2jmh h ASN 46 Ca -0.38 0.05 -0.46 0.00 0.71 0.00 0.00 56.30 56.22 2jmh h ASN 46 Cb 1.50 -0.06 -0.11 0.00 0.73 0.00 0.00 38.32 40.39 2jmh h ASN 46 CO -0.14 0.25 -0.70 0.29 -1.29 0.00 0.00 177.43 175.84 2jmh n LYS 47 N -4.57 -3.96 -2.43 6.67 4.76 0.11 -4.88 118.16 113.87 2jmh n LYS 47 Ca 0.19 0.49 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 47 Cb 0.58 -5.26 -0.02 0.00 -1.84 0.00 0.00 35.03 28.49 2jmh n LYS 47 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jmh s SER 48 N -3.05 6.98 0.13 4.39 0.15 -1.26 -4.77 113.70 116.27 2jmh s SER 48 Ca 0.58 1.76 -0.19 0.00 0.70 0.00 0.00 55.95 58.81 2jmh s SER 48 Cb -0.31 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 2jmh s SER 48 CO 0.72 -0.69 1.76 0.07 1.20 0.00 0.00 173.24 176.30 2jmh h LYS 49 N 7.90 0.22 -0.41 5.44 2.10 -1.91 -0.77 116.57 129.14 2jmh h LYS 49 Ca -0.30 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.30 2jmh h LYS 49 Cb 1.13 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 2jmh h LYS 49 CO 0.93 0.15 0.11 1.05 -2.00 0.00 0.00 179.45 179.69 2jmh h GLU 50 N 0.23 0.65 -0.93 0.07 4.11 -1.93 -1.39 114.58 115.39 2jmh h GLU 50 Ca 0.10 -0.15 0.06 0.00 0.07 0.00 0.00 59.36 59.44 2jmh h GLU 50 Cb 0.05 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2jmh h GLU 50 CO -0.08 0.66 0.61 1.25 0.07 0.00 0.00 179.01 181.52 2jmh h LEU 51 N 0.53 0.96 0.31 3.06 5.85 -1.89 -0.40 115.31 123.72 2jmh h LEU 51 Ca 0.13 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2jmh h LEU 51 Cb 0.30 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2jmh h LEU 51 CO -0.00 0.62 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.96 2jmh h GLN 52 N 1.09 -0.41 -0.78 1.25 4.15 -0.90 -0.82 115.11 118.70 2jmh h GLN 52 Ca 0.39 0.03 0.19 0.00 0.77 0.00 0.00 58.65 60.03 2jmh h GLN 52 Cb 0.15 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 2jmh h GLN 52 CO -0.14 -0.08 0.54 0.93 -1.93 0.00 0.00 178.83 178.15 2jmh h GLU 53 N -0.92 0.22 0.05 1.69 4.39 -1.08 0.26 114.58 119.18 2jmh h GLU 53 Ca -0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jmh h GLU 53 Cb 0.52 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jmh h GLU 53 CO 0.07 0.15 -0.02 0.87 -1.16 0.00 0.00 179.01 178.91 2jmh h LYS 54 N 0.23 -0.06 0.26 2.33 1.79 -1.04 -2.81 116.57 117.27 2jmh h LYS 54 Ca 0.39 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 2jmh h LYS 54 Cb 1.18 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2jmh h LYS 54 CO -0.09 0.58 -0.14 0.82 -1.08 0.00 0.00 179.45 179.54 2jmh h ILE 55 N -0.83 0.71 -0.80 1.86 2.04 -0.33 -1.35 117.51 118.80 2jmh h ILE 55 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 2jmh h ILE 55 Cb 0.67 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2jmh h ILE 55 CO 0.01 0.00 0.53 -0.29 0.00 0.00 0.00 178.15 178.40 2jmh h ILE 56 N -0.38 0.82 0.24 -0.67 6.09 -0.66 0.27 117.51 123.22 2jmh h ILE 56 Ca -0.03 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 2jmh h ILE 56 Cb 0.30 0.24 0.00 0.00 0.47 0.00 0.00 36.82 37.84 2jmh h ILE 56 CO 0.04 0.10 -0.11 0.03 -3.07 0.00 0.00 178.15 175.14 2jmh h ARG 57 N 0.53 -0.31 -0.60 2.19 -0.00 -1.16 0.36 114.38 115.39 2jmh h ARG 57 Ca 0.39 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.88 2jmh h ARG 57 Cb 0.77 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.78 2jmh h ARG 57 CO -0.15 0.03 0.31 1.49 0.00 0.00 0.00 179.97 181.65 2jmh h GLU 58 N -0.70 0.86 -0.40 0.04 4.81 -0.65 -1.65 114.58 116.88 2jmh h GLU 58 Ca -0.03 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2jmh h GLU 58 Cb 0.48 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2jmh h GLU 58 CO 0.05 0.68 -0.07 1.25 -0.73 0.00 0.00 179.01 180.19 2jmh h LEU 59 N 0.82 0.66 0.34 1.64 6.46 -0.51 -0.79 115.31 123.93 2jmh h LEU 59 Ca 0.21 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2jmh h LEU 59 Cb 0.09 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2jmh h LEU 59 CO -0.03 0.77 -0.17 -0.78 -0.62 0.00 0.00 178.44 177.62 2jmh h ASP 60 N 0.63 -0.39 -0.90 1.25 3.58 -0.50 0.23 116.42 120.31 2jmh h ASP 60 Ca 0.12 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jmh h ASP 60 Cb 0.49 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 2jmh h ASP 60 CO 0.03 -0.10 0.51 -0.37 -2.88 0.00 0.00 179.24 176.43 2jmh h VAL 61 N -0.70 1.26 0.44 2.25 -1.51 -1.27 0.15 116.25 116.87 2jmh h VAL 61 Ca -0.05 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 2jmh h VAL 61 Cb 0.49 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 2jmh h VAL 61 CO 0.08 0.28 -0.21 0.58 -1.23 0.00 0.00 177.57 177.07 2jmh h VAL 62 N 1.25 0.40 -0.12 7.19 2.07 -1.09 -1.66 116.25 124.30 2jmh h VAL 62 Ca 0.32 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2jmh h VAL 62 Cb -0.00 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2jmh h VAL 62 CO -0.05 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.72 2jmh h ALA 64 N 1.89 -0.42 -0.38 0.00 0.00 -0.86 -0.45 119.26 119.03 2jmh h ALA 64 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2jmh h ALA 64 Cb 0.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jmh h ALA 64 CO -0.00 -0.42 0.13 0.00 0.00 0.00 0.00 179.25 178.95 2jmh h MET 65 N -1.05 0.54 -0.05 0.00 -0.00 -1.02 -1.59 114.93 111.76 2jmh h MET 65 Ca -0.04 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.70 59.55 2jmh h MET 65 Cb 0.43 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 31.93 2jmh h MET 65 CO 0.07 0.47 -0.09 0.82 -0.00 0.00 0.00 176.91 178.19 2jmh h ILE 66 N 0.54 1.41 0.12 -0.10 5.03 -0.87 -0.83 117.51 122.82 2jmh h ILE 66 Ca 0.13 -1.36 0.01 0.00 -0.12 0.00 0.00 64.86 63.52 2jmh h ILE 66 Cb 0.15 2.19 -0.02 0.00 -3.03 0.00 0.00 36.82 36.11 2jmh h ILE 66 CO -0.01 0.37 -0.15 -0.33 -0.68 0.00 0.00 178.15 177.35 2jmh h GLU 67 N -0.34 -0.31 0.03 2.37 4.39 -0.86 -0.60 114.58 119.26 2jmh h GLU 67 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2jmh h GLU 67 Cb 0.65 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2jmh h GLU 67 CO 0.02 -0.21 -0.01 0.78 -1.16 0.00 0.00 179.01 178.43 2jmh h GLY 68 N -0.32 -0.04 0.23 -3.84 0.00 -1.38 0.71 103.07 98.43 2jmh h GLY 68 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.39 2jmh h GLY 68 CO -0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 176.54 176.10 2jmh h ALA 69 N 0.77 -0.55 -0.21 3.60 0.00 -1.06 -1.16 119.26 120.65 2jmh h ALA 69 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 69 Cb 0.18 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jmh h ALA 69 CO 0.01 -0.88 -0.05 -0.56 0.00 0.00 0.00 179.25 177.76 2jmh h GLN 70 N -0.51 0.33 0.13 0.00 3.07 -1.11 -1.40 115.11 115.61 2jmh h GLN 70 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jmh h GLN 70 Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2jmh h GLN 70 CO -0.29 0.40 -0.11 0.78 0.09 0.00 0.00 178.83 179.69 2jmh h GLY 71 N 0.70 -0.24 1.00 0.06 0.00 0.30 0.32 103.07 105.20 2jmh h GLY 71 Ca 0.07 0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 2jmh h GLY 71 CO 0.01 -0.11 -0.40 0.00 0.00 0.00 0.00 176.54 176.04 2jmh h ALA 72 N 0.60 0.38 0.59 3.60 0.00 -1.15 -1.17 119.26 122.13 2jmh h ALA 72 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2jmh h ALA 72 Cb 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jmh h ALA 72 CO -0.02 0.48 -0.29 1.25 0.00 0.00 0.00 179.25 180.68 2jmh h LEU 73 N 0.43 -0.68 -0.14 0.00 6.46 -1.16 0.24 115.31 120.46 2jmh h LEU 73 Ca 0.02 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2jmh h LEU 73 Cb 0.99 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2jmh h LEU 73 CO 0.09 -0.45 0.09 -0.08 -0.62 0.00 0.00 178.44 177.47 2jmh h GLU 74 N -0.84 0.19 0.00 1.25 4.22 -0.45 0.17 114.58 119.12 2jmh h GLU 74 Ca -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 2jmh h GLU 74 Cb 0.63 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jmh h GLU 74 CO 0.13 0.14 -0.07 -0.09 -2.18 0.00 0.00 179.01 176.95 2jmh h ARG 75 N 0.18 0.00 0.05 1.92 9.65 -1.17 0.24 114.38 125.25 2jmh h ARG 75 Ca 0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2jmh h ARG 75 Cb -0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2jmh h ARG 75 CO -0.01 0.07 -0.02 0.93 2.80 0.00 0.00 179.97 183.73 2jmh h GLU 76 N 0.00 -0.07 0.00 0.20 4.39 0.18 -3.31 114.58 115.98 2jmh h GLU 76 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2jmh h GLU 76 Cb 0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2jmh h GLU 76 CO 0.01 0.44 -0.11 1.37 -1.16 0.00 0.00 179.01 179.56 2jmh h LEU 77 N -0.96 0.00 -0.74 1.33 8.10 -0.54 -1.32 115.31 121.18 2jmh h LEU 77 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2jmh h LEU 77 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2jmh h LEU 77 CO 0.01 0.11 0.00 0.29 -4.11 0.00 0.00 178.44 174.74 2jmh n LYS 78 N -3.72 0.14 -0.21 0.17 4.76 0.83 -2.97 118.16 117.16 2jmh n LYS 78 Ca -0.02 0.46 0.02 0.00 -2.87 0.00 0.00 58.31 55.90 2jmh n LYS 78 Cb 0.22 -1.81 0.13 0.00 -1.84 0.00 0.00 35.03 31.72 2jmh n LYS 78 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2jmh h ARG 79 N 0.00 0.26 -2.42 1.97 9.65 -1.34 -3.44 114.38 119.07 2jmh h ARG 79 Ca 0.00 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 2jmh h ARG 79 Cb 0.22 -0.06 -0.18 0.00 -1.39 0.00 0.00 29.97 28.57 2jmh h ARG 79 CO 0.00 0.17 0.10 0.95 2.80 0.00 0.00 179.97 183.99 2jmh s THR 80 N -6.09 0.01 -0.30 0.20 -4.23 -1.16 -5.16 115.64 98.91 2jmh s THR 80 Ca -0.13 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.09 2jmh s THR 80 Cb 0.19 -0.95 0.21 0.00 1.34 0.00 0.00 72.50 73.28 2jmh s THR 80 CO 0.74 -0.07 1.29 -0.62 -0.54 0.00 0.00 174.62 175.43 2jmh s ASP 81 N -1.56 -0.04 -0.35 3.99 2.15 -1.26 -4.95 116.67 114.65 2jmh s ASP 81 Ca -0.09 0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.02 2jmh s ASP 81 Cb -0.01 1.03 0.19 0.00 -0.30 0.00 0.00 42.92 43.82 2jmh s ASP 81 CO 0.04 -0.01 0.58 -0.22 -0.17 0.00 0.00 175.17 175.39 2jmh s LEU 82 N 1.40 -1.44 -0.29 -1.34 0.20 -1.26 -5.02 118.68 110.94 2jmh s LEU 82 Ca -0.05 -0.40 -0.35 0.00 0.69 0.00 0.00 54.13 54.02 2jmh s LEU 82 Cb -0.01 1.85 0.17 0.00 -0.43 0.00 0.00 46.19 47.77 2jmh s LEU 82 CO -0.12 -0.24 1.38 0.20 -0.29 0.00 0.00 176.35 177.28 2jmh s ASN 83 N 2.27 -0.02 0.06 3.68 -0.87 -1.26 -4.99 114.94 113.82 2jmh s ASN 83 Ca 0.13 0.01 -0.32 0.00 -1.57 0.00 0.00 52.86 51.11 2jmh s ASN 83 Cb -0.08 0.01 -0.19 0.00 -0.02 0.00 0.00 41.25 40.98 2jmh s ASN 83 CO -0.16 -0.02 1.56 0.40 -2.57 0.00 0.00 177.10 176.30 2jmh h ILE 84 N 2.01 0.33 -0.18 0.60 2.04 -2.01 0.25 117.51 120.55 2jmh h ILE 84 Ca -0.04 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jmh h ILE 84 Cb 1.15 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2jmh h ILE 84 CO 0.20 0.01 0.07 0.25 0.00 0.00 0.00 178.15 178.68 2jmh h LEU 85 N -0.94 0.25 -0.86 1.44 6.46 -1.99 -1.17 115.31 118.51 2jmh h LEU 85 Ca -0.09 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 2jmh h LEU 85 Cb 0.70 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 2jmh h LEU 85 CO 0.15 0.35 0.54 -0.33 -0.62 0.00 0.00 178.44 178.53 2jmh h GLU 86 N 0.14 0.99 -0.28 1.25 4.39 -1.94 -0.06 114.58 119.08 2jmh h GLU 86 Ca 0.06 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jmh h GLU 86 Cb 0.17 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2jmh h GLU 86 CO -0.01 0.65 0.04 -0.09 -1.16 0.00 0.00 179.01 178.45 2jmh h ARG 87 N 1.02 0.46 0.56 2.33 2.43 -0.29 -0.46 114.38 120.43 2jmh h ARG 87 Ca 0.36 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2jmh h ARG 87 Cb 0.10 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2jmh h ARG 87 CO -0.15 0.58 -0.27 0.35 -1.51 0.00 0.00 179.97 178.98 2jmh h PHE 88 N 0.28 -0.69 -0.75 2.20 3.57 -0.74 0.25 116.94 121.05 2jmh h PHE 88 Ca 0.08 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2jmh h PHE 88 Cb 0.35 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 2jmh h PHE 88 CO 0.02 -0.41 0.44 -0.91 -2.23 0.00 0.00 178.31 175.22 2jmh h ASN 89 N -0.79 0.67 -0.16 0.41 4.21 -1.04 -1.49 115.58 117.38 2jmh h ASN 89 Ca -0.08 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 2jmh h ASN 89 Cb 0.59 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2jmh h ASN 89 CO 0.13 0.42 0.03 1.88 -1.29 0.00 0.00 177.43 178.60 2jmh h TYR 90 N 0.80 0.27 -0.01 1.19 -1.99 -0.92 -0.15 116.97 116.17 2jmh h TYR 90 Ca 0.34 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.06 2jmh h TYR 90 Cb 0.20 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 2jmh h TYR 90 CO -0.06 0.41 -0.27 0.93 -0.00 0.00 0.00 178.16 179.17 2jmh h GLU 91 N 0.06 -0.39 -0.77 4.88 4.39 -0.06 -1.18 114.58 121.50 2jmh h GLU 91 Ca 0.05 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2jmh h GLU 91 Cb 0.28 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2jmh h GLU 91 CO 0.00 -0.26 0.35 1.49 -1.16 0.00 0.00 179.01 179.43 2jmh h GLU 92 N -0.41 1.11 0.22 2.33 4.81 -1.27 -1.10 114.58 120.27 2jmh h GLU 92 Ca 0.06 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2jmh h GLU 92 Cb 0.50 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2jmh h GLU 92 CO -0.24 0.87 -0.36 0.00 -0.73 0.00 0.00 179.01 178.55 2jmh h ALA 93 N 1.29 -0.70 -0.55 2.92 0.00 -0.30 0.41 119.26 122.33 2jmh h ALA 93 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jmh h ALA 93 Cb 0.13 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2jmh h ALA 93 CO -0.03 -0.94 0.10 -0.56 0.00 0.00 0.00 179.25 177.82 2jmh h GLN 94 N -0.66 0.86 0.11 0.00 3.07 -1.14 -1.25 115.11 116.10 2jmh h GLN 94 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2jmh h GLN 94 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2jmh h GLN 94 CO -0.15 0.79 -0.11 1.15 0.09 0.00 0.00 178.83 180.60 2jmh h THR 95 N 0.82 0.74 -0.60 1.86 2.02 -0.71 0.14 112.91 117.19 2jmh h THR 95 Ca 0.17 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 2jmh h THR 95 Cb 0.34 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2jmh h THR 95 CO 0.00 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.87 2jmh h LEU 96 N -0.25 1.00 -0.73 2.58 3.38 -0.82 -1.73 115.31 118.74 2jmh h LEU 96 Ca 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2jmh h LEU 96 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2jmh h LEU 96 CO -0.04 1.04 0.41 0.77 0.09 0.00 0.00 178.44 180.71 2jmh h SER 97 N 0.92 0.90 0.02 -0.43 4.64 -0.97 -0.45 113.55 118.17 2jmh h SER 97 Ca 0.17 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jmh h SER 97 Cb 0.50 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2jmh h SER 97 CO 0.02 0.73 -0.01 0.11 -0.87 0.00 0.00 176.83 176.82 2jmh h LYS 98 N 1.00 -0.02 -0.11 4.77 1.79 -0.56 -0.68 116.57 122.76 2jmh h LYS 98 Ca 0.26 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.76 2jmh h LYS 98 Cb 0.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 2jmh h LYS 98 CO -0.04 0.29 -0.07 0.82 -1.08 0.00 0.00 179.45 179.37 2jmh h ILE 99 N -0.33 0.79 -0.58 1.86 2.04 -1.18 -1.25 117.51 118.87 2jmh h ILE 99 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jmh h ILE 99 Cb 0.32 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2jmh h ILE 99 CO 0.00 0.00 0.37 0.25 0.00 0.00 0.00 178.15 178.78 2jmh h LEU 100 N -0.07 0.68 -0.44 1.44 7.12 -1.09 -1.58 115.31 121.36 2jmh h LEU 100 Ca 0.07 -0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.10 2jmh h LEU 100 Cb 0.16 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 40.07 2jmh h LEU 100 CO -0.15 0.51 0.16 -0.07 -0.13 0.00 0.00 178.44 178.76 2jmh h LEU 101 N 0.79 0.16 0.48 2.25 3.38 -0.71 0.17 115.31 121.83 2jmh h LEU 101 Ca 0.21 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2jmh h LEU 101 Cb -0.07 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jmh h LEU 101 CO -0.04 0.13 -0.23 0.11 0.09 0.00 0.00 178.44 178.49 2jmh h LYS 102 N 0.32 -0.62 -0.52 1.13 1.57 -0.92 -1.04 116.57 116.50 2jmh h LYS 102 Ca 0.21 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 2jmh h LYS 102 Cb 0.20 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2jmh h LYS 102 CO -0.21 -0.37 0.15 -0.44 -0.57 0.00 0.00 179.45 178.01 2jmh h ASP 103 N -0.73 0.11 0.01 0.86 5.19 -1.07 -1.08 116.42 119.71 2jmh h ASP 103 Ca -0.07 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2jmh h ASP 103 Cb 0.53 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2jmh h ASP 103 CO 0.11 0.08 -0.10 0.25 -3.12 0.00 0.00 179.24 176.46 2jmh h LEU 104 N 0.31 -0.30 -1.11 1.55 5.85 -0.56 -0.97 115.31 120.07 2jmh h LEU 104 Ca 0.26 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.13 2jmh h LEU 104 Cb 0.31 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 104 CO -0.29 -0.15 0.61 0.11 -0.34 0.00 0.00 178.44 178.37 2jmh h LYS 105 N -0.18 0.92 -0.43 1.25 1.57 -0.65 -1.12 116.57 117.92 2jmh h LYS 105 Ca 0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2jmh h LYS 105 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2jmh h LYS 105 CO -0.10 0.61 0.06 0.93 -0.57 0.00 0.00 179.45 180.38 2jmh h GLU 106 N 0.95 0.73 0.34 3.15 3.07 -0.57 -0.78 114.58 121.45 2jmh h GLU 106 Ca 0.45 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 2jmh h GLU 106 Cb 0.44 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2jmh h GLU 106 CO -0.21 0.77 -0.16 1.79 -1.40 0.00 0.00 179.01 179.79 2jmh h THR 107 N 0.58 0.68 -0.75 1.13 1.35 -0.19 -1.27 112.91 114.45 2jmh h THR 107 Ca 0.13 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 2jmh h THR 107 Cb 0.40 0.75 -0.04 0.00 -1.73 0.00 0.00 68.15 67.53 2jmh h THR 107 CO 0.01 0.03 0.49 1.05 -0.25 0.00 0.00 175.52 176.84 2jmh h GLU 108 N -0.52 0.94 0.02 4.72 4.11 -1.24 -1.44 114.58 121.16 2jmh h GLU 108 Ca -0.05 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.34 2jmh h GLU 108 Cb 0.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jmh h GLU 108 CO 0.08 0.62 -0.09 0.37 0.07 0.00 0.00 179.01 180.05 2jmh h GLN 109 N 0.97 -0.16 -0.23 1.06 -0.00 -0.99 -0.91 115.11 114.84 2jmh h GLN 109 Ca 0.29 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.97 2jmh h GLN 109 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.45 2jmh h GLN 109 CO -0.09 -0.11 0.08 0.87 0.00 0.00 0.00 178.83 179.58 2jmh h LYS 110 N -0.17 0.18 -0.88 1.69 1.57 -0.95 0.63 116.57 118.64 2jmh h LYS 110 Ca 0.03 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2jmh h LYS 110 Cb 0.20 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 2jmh h LYS 110 CO -0.08 0.12 0.53 0.28 -0.57 0.00 0.00 179.45 179.72 2jmh h VAL 111 N 0.18 0.95 0.00 0.50 2.07 -1.02 -0.37 116.25 118.56 2jmh h VAL 111 Ca 0.10 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 2jmh h VAL 111 Cb 0.07 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2jmh h VAL 111 CO -0.10 0.16 -0.58 0.11 0.02 0.00 0.00 177.57 177.18 2jmh h LYS 112 N 0.89 0.00 -0.20 1.57 1.57 -0.63 -3.19 116.57 116.58 2jmh h LYS 112 Ca 0.41 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.15 2jmh h LYS 112 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2jmh h LYS 112 CO -0.23 0.58 -0.06 0.22 -0.57 0.00 0.00 179.45 179.40 2jmh h ASP 113 N 0.00 0.39 -2.37 0.86 3.58 0.71 -3.43 116.42 116.16 2jmh h ASP 113 Ca -0.01 -0.38 -0.56 0.00 0.42 0.00 0.00 57.03 56.50 2jmh h ASP 113 Cb 1.06 -0.11 0.05 0.00 1.72 0.00 0.00 39.33 42.05 2jmh h ASP 113 CO 0.08 0.68 0.91 -0.38 -2.88 0.00 0.00 179.24 177.64 2jmh n ILE 114 N -4.61 0.09 -3.29 2.25 -0.00 -0.48 -4.96 119.36 108.36 2jmh n ILE 114 Ca -0.05 -0.02 -0.38 0.00 -0.00 0.00 0.00 62.75 62.30 2jmh n ILE 114 Cb 0.29 -1.74 -0.06 0.00 -0.00 0.00 0.00 39.64 38.13 2jmh n ILE 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jmh s GLN 115 N 1.42 4.25 0.27 0.38 -2.07 -1.26 -4.99 119.66 117.67 2jmh s GLN 115 Ca 0.79 0.61 -0.05 0.00 -1.82 0.00 0.00 55.36 54.89 2jmh s GLN 115 Cb -0.62 -3.34 -0.01 0.00 -1.09 0.00 0.00 33.01 27.95 2jmh s GLN 115 CO 0.38 0.39 0.39 0.95 -1.32 0.00 0.00 175.29 176.07 2jmh s THR 116 N -0.19 0.00 -1.66 3.63 -4.23 -1.26 -4.95 115.64 106.98 2jmh s THR 116 Ca 0.28 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 59.28 2jmh s THR 116 Cb -0.17 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.33 2jmh s THR 116 CO 0.15 0.00 0.92 0.00 -0.54 0.00 0.00 174.62 175.15