#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh h GLU 2 N 0.00 0.15 -7.24 -1.09 4.39 -2.13 -3.47 114.58 105.19 2jmh h GLU 2 Ca 0.00 -0.25 -0.42 0.00 0.34 0.00 0.00 59.36 59.03 2jmh h GLU 2 Cb 0.00 0.09 0.19 0.00 -0.10 0.00 0.00 28.75 28.94 2jmh h GLU 2 CO 0.00 0.89 0.06 -1.01 -1.16 0.00 0.00 179.01 177.79 2jmh s HIS 3 N -2.59 0.97 0.27 4.33 3.76 -1.26 -5.05 115.29 115.72 2jmh s HIS 3 Ca -0.12 0.83 0.08 0.00 -0.15 0.00 0.00 55.06 55.70 2jmh s HIS 3 Cb 0.07 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2jmh s HIS 3 CO 0.81 -3.86 0.17 0.15 -0.85 0.00 0.00 174.74 171.16 2jmh s LYS 4 N -4.93 2.78 0.87 1.40 3.01 -1.26 -5.12 119.74 116.49 2jmh s LYS 4 Ca 0.68 -1.15 -0.11 0.00 -1.01 0.00 0.00 55.97 54.37 2jmh s LYS 4 Cb -0.18 -2.47 0.11 0.00 -1.01 0.00 0.00 37.83 34.28 2jmh s LYS 4 CO 0.59 0.36 1.09 -1.25 0.51 0.00 0.00 175.35 176.65 2jmh s PRO 5 N -3.83 1.46 -1.54 -1.68 0.04 -1.26 -3.72 135.00 124.47 2jmh s PRO 5 Ca 0.34 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 2jmh s PRO 5 Cb -0.07 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2jmh s PRO 5 CO 0.24 -2.12 0.38 1.63 0.04 0.00 0.00 177.00 177.18 2jmh n LYS 6 N -3.81 -3.66 0.06 4.56 4.76 -1.26 -4.86 118.16 113.95 2jmh n LYS 6 Ca 0.07 0.85 -0.00 0.00 -2.87 0.00 0.00 58.31 56.37 2jmh n LYS 6 Cb 0.55 -5.63 0.30 0.00 -1.84 0.00 0.00 35.03 28.42 2jmh n LYS 6 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2jmh h LYS 7 N -0.86 0.37 -4.95 1.97 2.10 -2.02 -3.40 116.57 109.78 2jmh h LYS 7 Ca -0.49 -0.10 -0.67 0.00 -2.00 0.00 0.00 60.65 57.39 2jmh h LYS 7 Cb 1.34 -0.04 -0.34 0.00 -0.90 0.00 0.00 32.23 32.29 2jmh h LYS 7 CO 0.55 0.52 -0.79 -0.51 -2.00 0.00 0.00 179.45 177.22 2jmh s ASP 8 N -6.82 3.94 -0.17 7.07 1.01 -1.26 -4.99 116.67 115.45 2jmh s ASP 8 Ca -0.06 -0.89 -0.21 0.00 0.71 0.00 0.00 52.55 52.10 2jmh s ASP 8 Cb 0.15 -1.58 -0.23 0.00 1.01 0.00 0.00 42.92 42.27 2jmh s ASP 8 CO 0.76 -0.09 0.40 -0.78 0.21 0.00 0.00 175.17 175.67 2jmh h ASP 9 N 7.94 0.10 -3.86 0.27 1.82 -2.01 -3.46 116.42 117.21 2jmh h ASP 9 Ca -0.35 -0.70 -0.54 0.00 -0.39 0.00 0.00 57.03 55.06 2jmh h ASP 9 Cb 1.11 -0.03 0.10 0.00 0.68 0.00 0.00 39.33 41.18 2jmh h ASP 9 CO 0.57 1.45 0.78 0.12 -1.61 0.00 0.00 179.24 180.55 2jmh s PHE 10 N -2.37 2.65 0.54 0.28 5.36 -1.26 -5.02 117.98 118.16 2jmh s PHE 10 Ca -0.25 1.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.93 2jmh s PHE 10 Cb 0.04 -3.99 0.04 0.00 -0.34 0.00 0.00 43.02 38.76 2jmh s PHE 10 CO 0.66 -2.95 0.43 -0.98 -1.46 0.00 0.00 175.22 170.92 2jmh s ARG 11 N -1.87 2.26 0.17 10.12 1.70 -1.26 -5.15 118.95 124.92 2jmh s ARG 11 Ca 0.54 -1.98 0.06 0.00 -0.47 0.00 0.00 55.73 53.88 2jmh s ARG 11 Cb -0.46 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 31.73 2jmh s ARG 11 CO 0.60 -0.63 -0.12 0.54 -1.08 0.00 0.00 175.30 174.62 2jmh s ASN 12 N -4.30 2.13 -0.06 -2.89 4.22 -1.26 -5.06 114.94 107.72 2jmh s ASN 12 Ca 0.36 -1.00 0.04 0.00 -2.14 0.00 0.00 52.86 50.12 2jmh s ASN 12 Cb -0.02 -0.07 -0.07 0.00 1.28 0.00 0.00 41.25 42.37 2jmh s ASN 12 CO 0.23 -0.25 -0.01 1.21 -2.04 0.00 0.00 177.10 176.24 2jmh n GLU 13 N -0.23 2.13 -0.98 3.55 4.07 -1.26 -5.04 120.64 122.88 2jmh n GLU 13 Ca -0.10 0.01 -0.30 0.00 -0.06 0.00 0.00 57.16 56.72 2jmh n GLU 13 Cb 0.60 -1.15 0.16 0.00 -0.06 0.00 0.00 31.44 30.99 2jmh n GLU 13 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2jmh s PHE 14 N -2.15 2.03 0.19 4.31 0.08 -1.26 -4.95 117.98 116.23 2jmh s PHE 14 Ca -0.05 1.42 -0.05 0.00 0.12 0.00 0.00 56.93 58.37 2jmh s PHE 14 Cb 0.02 -3.18 0.10 0.00 -0.57 0.00 0.00 43.02 39.40 2jmh s PHE 14 CO 0.22 -2.65 1.52 0.22 -0.10 0.00 0.00 175.22 174.43 2jmh h ASP 15 N -1.74 0.71 -4.61 1.36 1.82 -2.07 -3.45 116.42 108.44 2jmh h ASP 15 Ca -0.49 -0.35 -0.13 0.00 -0.39 0.00 0.00 57.03 55.67 2jmh h ASP 15 Cb 1.28 -0.20 -0.22 0.00 0.68 0.00 0.00 39.33 40.87 2jmh h ASP 15 CO 0.50 1.07 -0.32 -1.00 -1.61 0.00 0.00 179.24 177.88 2jmh s HIS 16 N -4.15 -0.21 0.48 0.28 3.76 -1.26 -5.11 115.29 109.07 2jmh s HIS 16 Ca -0.08 0.41 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 2jmh s HIS 16 Cb 0.11 0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.89 2jmh s HIS 16 CO 0.85 -0.30 0.30 -0.51 -0.85 0.00 0.00 174.74 174.22 2jmh s LEU 17 N -0.84 2.90 0.00 0.89 2.01 -1.26 -4.98 118.68 117.40 2jmh s LEU 17 Ca -0.09 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 52.89 2jmh s LEU 17 Cb -0.04 -1.36 0.00 0.00 0.01 0.00 0.00 46.19 44.80 2jmh s LEU 17 CO 0.03 -0.84 0.72 0.18 1.01 0.00 0.00 176.35 177.44 2jmh n LEU 18 N -1.53 0.03 -0.29 1.79 4.77 -1.26 -1.22 117.00 119.29 2jmh n LEU 18 Ca -0.02 0.72 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 2jmh n LEU 18 Cb 0.64 -0.23 0.23 0.00 -2.33 0.00 0.00 43.42 41.73 2jmh n LEU 18 CO 0.41 -0.23 1.08 0.40 -1.33 0.00 0.00 177.39 177.72 2jmh h ILE 19 N 0.00 0.68 -0.17 -0.08 1.08 -1.98 -1.24 117.51 115.80 2jmh h ILE 19 Ca 0.00 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2jmh h ILE 19 Cb 0.00 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 33.76 2jmh h ILE 19 CO 0.00 0.10 -0.27 -0.33 -0.69 0.00 0.00 178.15 176.96 2jmh h GLU 20 N 0.56 -0.30 -0.81 2.37 5.08 -1.97 0.20 114.58 119.71 2jmh h GLU 20 Ca 0.47 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2jmh h GLU 20 Cb 0.71 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2jmh h GLU 20 CO -0.39 -0.20 0.44 1.96 -1.00 0.00 0.00 179.01 179.82 2jmh h GLN 21 N -0.31 1.13 -0.37 2.33 1.08 -0.24 -1.67 115.11 117.05 2jmh h GLN 21 Ca 0.11 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jmh h GLN 21 Cb 0.49 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2jmh h GLN 21 CO -0.35 0.82 0.18 0.00 -0.95 0.00 0.00 178.83 178.53 2jmh h ALA 22 N 1.35 0.47 -0.63 3.87 0.00 -0.16 -0.57 119.26 123.59 2jmh h ALA 22 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jmh h ALA 22 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jmh h ALA 22 CO -0.05 0.03 0.25 -0.91 0.00 0.00 0.00 179.25 178.58 2jmh h ASN 23 N 0.45 0.87 -0.70 0.00 2.35 -0.33 -1.40 115.58 116.83 2jmh h ASN 23 Ca 0.13 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2jmh h ASN 23 Cb 0.12 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2jmh h ASN 23 CO -0.02 0.80 0.17 -0.74 -1.65 0.00 0.00 177.43 176.00 2jmh h HIS 24 N 0.89 1.17 0.05 1.19 2.76 -1.11 -0.03 115.15 120.08 2jmh h HIS 24 Ca 0.21 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2jmh h HIS 24 Cb 0.20 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2jmh h HIS 24 CO 0.01 0.95 -0.02 0.00 -1.30 0.00 0.00 177.93 177.57 2jmh h ALA 25 N 1.11 -0.07 -0.12 5.26 0.00 -0.82 -1.61 119.26 123.02 2jmh h ALA 25 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jmh h ALA 25 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jmh h ALA 25 CO 0.00 -0.42 -0.17 -0.84 0.00 0.00 0.00 179.25 177.82 2jmh h ILE 26 N -0.30 1.19 0.15 0.00 3.07 -1.19 0.57 117.51 120.99 2jmh h ILE 26 Ca -0.01 -0.85 -0.01 0.00 1.55 0.00 0.00 64.86 65.54 2jmh h ILE 26 Cb 0.27 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 2jmh h ILE 26 CO 0.01 0.26 -0.07 -0.08 -1.05 0.00 0.00 178.15 177.22 2jmh h GLU 27 N 0.18 -0.19 -0.24 0.16 4.81 -0.83 0.25 114.58 118.73 2jmh h GLU 27 Ca 0.04 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2jmh h GLU 27 Cb 0.42 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2jmh h GLU 27 CO 0.03 0.13 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.87 2jmh h LYS 28 N -0.52 0.51 -0.01 1.92 3.64 -1.18 -1.45 116.57 119.48 2jmh h LYS 28 Ca -0.02 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2jmh h LYS 28 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2jmh h LYS 28 CO 0.03 0.79 -0.01 0.78 -2.27 0.00 0.00 179.45 178.77 2jmh h GLY 29 N 1.06 0.02 1.29 5.01 0.00 -0.86 -1.34 103.07 108.25 2jmh h GLY 29 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2jmh h GLY 29 CO 0.07 0.02 0.19 1.05 0.00 0.00 0.00 176.54 177.87 2jmh h GLU 30 N -0.56 0.90 0.22 4.80 -0.00 -0.52 0.14 114.58 119.56 2jmh h GLU 30 Ca -0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.36 59.18 2jmh h GLU 30 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2jmh h GLU 30 CO 0.00 0.77 -0.11 1.25 -0.00 0.00 0.00 179.01 180.93 2jmh h HIS 31 N 0.87 -0.28 -0.33 2.06 2.76 -1.31 -0.21 115.15 118.72 2jmh h HIS 31 Ca 0.20 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2jmh h HIS 31 Cb 0.25 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 2jmh h HIS 31 CO 0.02 0.09 0.08 -0.56 -1.30 0.00 0.00 177.93 176.25 2jmh h GLN 32 N -0.72 0.48 -0.09 5.26 3.07 -1.17 -1.78 115.11 120.15 2jmh h GLN 32 Ca -0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 58.65 58.59 2jmh h GLN 32 Cb 0.49 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.97 2jmh h GLN 32 CO 0.05 0.45 -0.13 1.25 0.09 0.00 0.00 178.83 180.54 2jmh h LEU 33 N 0.47 0.28 -0.73 0.06 7.12 -0.69 0.73 115.31 122.53 2jmh h LEU 33 Ca 0.11 -0.52 0.02 0.00 0.13 0.00 0.00 57.88 57.63 2jmh h LEU 33 Cb 0.19 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2jmh h LEU 33 CO -0.00 0.74 0.47 -0.07 -0.13 0.00 0.00 178.44 179.45 2jmh h LEU 34 N -0.18 0.78 -0.39 2.25 3.38 -0.79 0.40 115.31 120.76 2jmh h LEU 34 Ca 0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2jmh h LEU 34 Cb 0.68 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jmh h LEU 34 CO 0.03 0.55 -0.76 0.22 0.09 0.00 0.00 178.44 178.57 2jmh h TYR 35 N 0.93 0.46 0.00 1.13 5.03 -1.34 -3.11 116.97 120.06 2jmh h TYR 35 Ca 0.29 -0.21 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 2jmh h TYR 35 Cb -0.02 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2jmh h TYR 35 CO -0.03 0.97 -0.41 -0.07 -1.32 0.00 0.00 178.16 177.30 2jmh h LEU 36 N 0.22 0.00 -1.02 2.82 3.38 -0.29 -3.01 115.31 117.40 2jmh h LEU 36 Ca -0.03 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2jmh h LEU 36 Cb 1.34 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2jmh h LEU 36 CO 0.13 0.41 0.61 1.56 0.09 0.00 0.00 178.44 181.23 2jmh h GLN 37 N 0.00 0.67 0.29 1.13 1.08 -0.86 -1.21 115.11 116.22 2jmh h GLN 37 Ca -0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2jmh h GLN 37 Cb 0.76 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2jmh h GLN 37 CO 0.05 0.45 -0.24 0.45 -0.95 0.00 0.00 178.83 178.59 2jmh h HIS 38 N 0.69 -0.64 -0.99 2.96 3.86 -1.68 -1.41 115.15 117.94 2jmh h HIS 38 Ca 0.60 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.88 2jmh h HIS 38 Cb 1.02 0.24 -0.07 0.00 1.06 0.00 0.00 27.41 29.67 2jmh h HIS 38 CO -0.00 -0.36 0.64 1.96 0.86 0.00 0.00 177.93 181.02 2jmh h GLN 39 N -0.55 1.10 0.35 2.45 1.08 -1.41 -1.56 115.11 116.57 2jmh h GLN 39 Ca -0.02 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2jmh h GLN 39 Cb 0.49 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2jmh h GLN 39 CO -0.02 0.73 -0.23 1.25 -0.95 0.00 0.00 178.83 179.60 2jmh h LEU 40 N 1.13 -0.59 -0.89 1.46 5.85 -0.87 0.25 115.31 121.66 2jmh h LEU 40 Ca 0.44 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.28 2jmh h LEU 40 Cb 0.22 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2jmh h LEU 40 CO -0.19 -0.37 0.55 -0.78 -0.34 0.00 0.00 178.44 177.31 2jmh h ASP 41 N -0.57 0.84 -0.22 1.25 3.58 -0.89 0.37 116.42 120.77 2jmh h ASP 41 Ca -0.03 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2jmh h ASP 41 Cb 0.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2jmh h ASP 41 CO 0.02 0.51 -0.24 -0.08 -2.88 0.00 0.00 179.24 176.57 2jmh h GLU 42 N 0.96 0.69 -0.02 0.28 4.81 -0.95 -2.84 114.58 117.51 2jmh h GLU 42 Ca 0.40 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2jmh h GLU 42 Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2jmh h GLU 42 CO -0.20 0.87 -0.53 1.25 -0.73 0.00 0.00 179.01 179.67 2jmh h LEU 43 N 0.60 0.06 -0.67 1.64 7.12 0.58 0.15 115.31 124.80 2jmh h LEU 43 Ca 0.08 -0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.13 2jmh h LEU 43 Cb 0.73 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.79 2jmh h LEU 43 CO 0.06 0.58 0.36 0.78 -0.13 0.00 0.00 178.44 180.08 2jmh h ASN 44 N 0.04 0.52 0.07 1.25 -0.26 -0.71 0.29 115.58 116.78 2jmh h ASN 44 Ca -0.00 0.04 -0.31 0.00 -0.56 0.00 0.00 56.30 55.47 2jmh h ASN 44 Cb 0.95 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 38.12 2jmh h ASN 44 CO 0.07 0.33 -1.66 1.21 -1.06 0.00 0.00 177.43 176.32 2jmh n GLU 45 N -4.81 0.67 -0.09 0.81 4.07 -1.18 -4.15 120.64 115.97 2jmh n GLU 45 Ca 0.09 0.41 0.11 0.00 -0.06 0.00 0.00 57.16 57.70 2jmh n GLU 45 Cb 0.19 -1.73 0.48 0.00 -0.06 0.00 0.00 31.44 30.33 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2jmh h ASN 46 N -0.43 0.40 -5.77 4.31 -1.24 -0.67 -3.45 115.58 108.73 2jmh h ASN 46 Ca -0.39 0.01 -0.43 0.00 0.71 0.00 0.00 56.30 56.19 2jmh h ASN 46 Cb 1.70 -0.08 -0.06 0.00 0.73 0.00 0.00 38.32 40.61 2jmh h ASN 46 CO -0.05 0.25 -0.66 0.29 -1.29 0.00 0.00 177.43 175.96 2jmh n LYS 47 N -4.47 -4.38 -2.40 6.67 4.76 0.10 -4.89 118.16 113.55 2jmh n LYS 47 Ca 0.10 0.57 -0.42 0.00 -2.87 0.00 0.00 58.31 55.68 2jmh n LYS 47 Cb 0.34 -5.37 -0.03 0.00 -1.84 0.00 0.00 35.03 28.13 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 -2.99 7.04 0.09 4.39 0.15 -1.26 -4.67 113.70 116.46 2jmh s SER 48 Ca 0.52 1.99 -0.20 0.00 0.70 0.00 0.00 55.95 58.96 2jmh s SER 48 Cb -0.27 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.39 2jmh s SER 48 CO 0.65 -0.53 1.62 0.07 1.20 0.00 0.00 173.24 176.24 2jmh h LYS 49 N 7.08 0.33 -0.27 5.44 2.10 -1.90 -0.23 116.57 129.13 2jmh h LYS 49 Ca -0.39 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.12 2jmh h LYS 49 Cb 1.20 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2jmh h LYS 49 CO 0.84 0.41 -0.10 1.05 -2.00 0.00 0.00 179.45 179.65 2jmh h GLU 50 N 0.19 0.55 -0.79 0.07 4.11 -1.93 -1.38 114.58 115.40 2jmh h GLU 50 Ca 0.07 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2jmh h GLU 50 Cb 0.21 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2jmh h GLU 50 CO -0.00 0.78 0.51 1.25 0.07 0.00 0.00 179.01 181.62 2jmh h LEU 51 N 0.30 0.93 0.22 3.06 5.85 -1.95 0.36 115.31 124.08 2jmh h LEU 51 Ca 0.06 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2jmh h LEU 51 Cb 0.60 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 51 CO 0.03 0.69 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.10 2jmh h GLN 52 N 1.08 -0.29 -0.19 1.25 4.15 -0.93 -1.09 115.11 119.10 2jmh h GLN 52 Ca 0.29 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.78 2jmh h GLN 52 Cb -0.10 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2jmh h GLN 52 CO -0.06 0.09 0.14 0.93 -1.93 0.00 0.00 178.83 178.00 2jmh h GLU 53 N -0.81 0.00 0.11 1.69 5.08 -1.12 -0.13 114.58 119.40 2jmh h GLU 53 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jmh h GLU 53 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jmh h GLU 53 CO 0.05 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 178.88 2jmh h LYS 54 N 0.00 -0.14 0.12 2.33 1.79 -0.89 -2.78 116.57 117.01 2jmh h LYS 54 Ca 0.09 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2jmh h LYS 54 Cb 0.36 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2jmh h LYS 54 CO -0.00 0.34 -0.17 0.82 -1.08 0.00 0.00 179.45 179.35 2jmh h ILE 55 N -0.89 0.61 -0.79 1.86 2.04 -0.85 -1.16 117.51 118.33 2jmh h ILE 55 Ca -0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2jmh h ILE 55 Cb 0.54 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2jmh h ILE 55 CO 0.02 0.00 0.52 -0.29 0.00 0.00 0.00 178.15 178.41 2jmh h ILE 56 N -0.34 0.82 0.20 -0.67 2.10 -1.16 0.27 117.51 118.72 2jmh h ILE 56 Ca 0.02 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.77 2jmh h ILE 56 Cb 0.35 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 2jmh h ILE 56 CO -0.08 0.09 -0.10 0.03 -1.08 0.00 0.00 178.15 177.02 2jmh h ARG 57 N 0.51 -0.26 -0.72 2.19 -0.00 -1.07 -0.64 114.38 114.39 2jmh h ARG 57 Ca 0.39 0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.84 2jmh h ARG 57 Cb 0.78 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.78 2jmh h ARG 57 CO -0.14 0.09 0.28 1.49 0.00 0.00 0.00 179.97 181.68 2jmh h GLU 58 N -0.65 1.07 -0.41 0.04 4.81 -0.60 -1.57 114.58 117.27 2jmh h GLU 58 Ca -0.03 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2jmh h GLU 58 Cb 0.47 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 58 CO 0.04 0.87 0.06 1.25 -0.73 0.00 0.00 179.01 180.51 2jmh h LEU 59 N 1.04 0.65 0.27 1.64 6.46 -0.49 -0.99 115.31 123.89 2jmh h LEU 59 Ca 0.24 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2jmh h LEU 59 Cb 0.21 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2jmh h LEU 59 CO -0.02 0.75 -0.13 -0.78 -0.62 0.00 0.00 178.44 177.64 2jmh h ASP 60 N 0.53 -0.30 0.08 1.25 3.58 -0.86 0.29 116.42 120.98 2jmh h ASP 60 Ca 0.12 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.52 2jmh h ASP 60 Cb 0.37 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2jmh h ASP 60 CO 0.01 -0.13 -0.18 0.58 -2.88 0.00 0.00 179.24 176.64 2jmh h VAL 61 N -0.47 0.59 0.67 2.25 2.07 -1.28 0.11 116.25 120.19 2jmh h VAL 61 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2jmh h VAL 61 Cb 0.35 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2jmh h VAL 61 CO 0.06 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.91 2jmh h VAL 62 N -0.33 0.33 -0.49 2.57 2.07 -1.16 -1.45 116.25 117.78 2jmh h VAL 62 Ca 0.03 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.65 2jmh h VAL 62 Cb 0.36 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2jmh h VAL 62 CO -0.11 0.01 0.41 0.00 0.02 0.00 0.00 177.57 177.89 2jmh h ALA 64 N 1.64 -0.44 -0.22 0.00 0.00 -0.26 -0.25 119.26 119.72 2jmh h ALA 64 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jmh h ALA 64 Cb 1.06 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jmh h ALA 64 CO -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 179.25 178.78 2jmh h MET 65 N -1.05 0.33 -0.06 0.00 -0.00 -0.71 -1.48 114.93 111.97 2jmh h MET 65 Ca -0.05 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.70 59.55 2jmh h MET 65 Cb 0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2jmh h MET 65 CO 0.07 0.39 -0.15 0.82 -0.00 0.00 0.00 176.91 178.04 2jmh h ILE 66 N 0.32 1.44 -0.29 -0.10 5.03 -0.50 -0.51 117.51 122.91 2jmh h ILE 66 Ca 0.07 -1.52 0.00 0.00 -0.12 0.00 0.00 64.86 63.30 2jmh h ILE 66 Cb 0.27 2.30 -0.02 0.00 -3.03 0.00 0.00 36.82 36.34 2jmh h ILE 66 CO 0.01 0.42 0.18 -0.33 -0.68 0.00 0.00 178.15 177.76 2jmh h GLU 67 N -0.32 0.37 -0.05 2.37 5.08 -0.84 0.27 114.58 121.46 2jmh h GLU 67 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jmh h GLU 67 Cb 0.76 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jmh h GLU 67 CO 0.03 0.24 -0.02 0.78 -1.00 0.00 0.00 179.01 179.04 2jmh h GLY 68 N 0.38 0.11 0.95 -3.84 0.00 -1.34 -0.31 103.07 99.01 2jmh h GLY 68 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2jmh h GLY 68 CO -0.03 0.09 -0.25 0.00 0.00 0.00 0.00 176.54 176.35 2jmh h ALA 69 N 0.62 -0.70 -0.20 3.60 0.00 -1.01 -1.16 119.26 120.41 2jmh h ALA 69 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jmh h ALA 69 Cb 0.44 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2jmh h ALA 69 CO 0.01 -0.86 0.05 0.37 0.00 0.00 0.00 179.25 178.81 2jmh h GLN 70 N -0.76 0.13 -0.14 0.00 -0.00 -0.54 0.26 115.11 114.05 2jmh h GLN 70 Ca -0.07 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2jmh h GLN 70 Cb 0.56 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.96 2jmh h GLN 70 CO 0.12 0.08 -0.17 0.78 0.00 0.00 0.00 178.83 179.65 2jmh h GLY 71 N 0.13 -0.10 0.72 2.39 0.00 -1.00 0.26 103.07 105.48 2jmh h GLY 71 Ca 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2jmh h GLY 71 CO -0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 176.54 176.17 2jmh h ALA 72 N 0.84 -0.27 -0.05 3.60 0.00 -1.01 -1.23 119.26 121.14 2jmh h ALA 72 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 72 Cb 0.35 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2jmh h ALA 72 CO -0.26 -0.51 -0.34 1.25 0.00 0.00 0.00 179.25 179.39 2jmh h LEU 73 N -0.55 -1.03 -0.23 0.00 6.46 -0.35 0.26 115.31 119.88 2jmh h LEU 73 Ca -0.03 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2jmh h LEU 73 Cb 0.41 0.42 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 2jmh h LEU 73 CO 0.04 -0.39 -0.03 -0.08 -0.62 0.00 0.00 178.44 177.37 2jmh h GLU 74 N -0.46 0.03 0.00 1.25 4.22 -0.52 0.14 114.58 119.24 2jmh h GLU 74 Ca 0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 2jmh h GLU 74 Cb 0.57 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jmh h GLU 74 CO -0.31 0.02 -0.02 0.00 -2.18 0.00 0.00 179.01 176.52 2jmh h ARG 75 N 0.04 0.00 0.04 1.92 2.47 -0.69 0.22 114.38 118.37 2jmh h ARG 75 Ca 0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2jmh h ARG 75 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2jmh h ARG 75 CO -0.21 0.02 -0.02 1.49 0.56 0.00 0.00 179.97 181.81 2jmh h GLU 76 N 0.00 -0.06 -0.11 0.04 4.57 0.10 -3.31 114.58 115.82 2jmh h GLU 76 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2jmh h GLU 76 Cb 0.05 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2jmh h GLU 76 CO 0.00 0.45 -0.10 1.37 -1.18 0.00 0.00 179.01 179.55 2jmh h LEU 77 N -0.97 0.16 -1.98 1.64 8.10 -0.59 -1.43 115.31 120.24 2jmh h LEU 77 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2jmh h LEU 77 Cb 0.53 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2jmh h LEU 77 CO 0.01 0.29 0.00 0.11 -4.11 0.00 0.00 178.44 174.74 2jmh h LYS 78 N 0.17 0.00 0.00 0.17 1.79 -0.68 -1.53 116.57 116.49 2jmh h LYS 78 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2jmh h LYS 78 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2jmh h LYS 78 CO 0.02 0.00 0.00 -0.09 -1.08 0.00 0.00 179.45 178.30 2jmh h ARG 79 N 0.00 0.00 -6.61 3.15 2.43 -1.34 -3.44 114.38 108.58 2jmh h ARG 79 Ca 0.00 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 2jmh h ARG 79 Cb 0.08 0.00 0.24 0.00 -0.42 0.00 0.00 29.97 29.86 2jmh h ARG 79 CO 0.00 0.00 -1.23 0.25 -1.51 0.00 0.00 179.97 177.48 2jmh n THR 80 N -2.62 0.00 0.00 0.20 -2.24 -0.58 -5.00 114.28 104.04 2jmh n THR 80 Ca -0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2jmh n THR 80 Cb 0.10 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2jmh n THR 80 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jmh n ASP 81 N -1.11 0.00 -3.60 3.42 2.03 -1.26 -5.09 116.55 110.94 2jmh n ASP 81 Ca 0.01 0.13 -0.06 0.00 0.52 0.00 0.00 54.79 55.39 2jmh n ASP 81 Cb 0.63 -0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.80 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jmh s LEU 82 N -2.66 -0.19 -0.30 -2.67 0.20 -1.26 -5.14 118.68 106.65 2jmh s LEU 82 Ca 0.00 0.17 -0.27 0.00 0.69 0.00 0.00 54.13 54.71 2jmh s LEU 82 Cb 0.00 1.47 0.20 0.00 -0.43 0.00 0.00 46.19 47.43 2jmh s LEU 82 CO 0.00 -0.21 1.44 0.21 -0.29 0.00 0.00 176.35 177.50 2jmh s ASN 83 N -1.33 -0.00 0.07 3.68 2.47 -1.26 -5.00 114.94 113.56 2jmh s ASN 83 Ca 0.05 0.00 -0.34 0.00 0.42 0.00 0.00 52.86 52.99 2jmh s ASN 83 Cb -0.01 0.00 -0.19 0.00 -1.45 0.00 0.00 41.25 39.60 2jmh s ASN 83 CO -0.04 -0.00 1.61 0.40 -3.72 0.00 0.00 177.10 175.35 2jmh h ILE 84 N 2.39 0.26 0.02 -5.21 1.08 -2.03 0.27 117.51 114.29 2jmh h ILE 84 Ca -0.15 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2jmh h ILE 84 Cb 1.19 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2jmh h ILE 84 CO 0.20 0.00 -0.01 0.25 -0.69 0.00 0.00 178.15 177.90 2jmh h LEU 85 N -1.01 -0.02 -0.71 1.44 7.12 -1.99 -1.46 115.31 118.67 2jmh h LEU 85 Ca -0.10 -0.10 0.08 0.00 0.13 0.00 0.00 57.88 57.89 2jmh h LEU 85 Cb 0.77 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.85 2jmh h LEU 85 CO 0.17 0.08 0.38 -0.33 -0.13 0.00 0.00 178.44 178.62 2jmh h GLU 86 N -0.13 0.66 -0.23 1.25 5.08 -1.94 -1.25 114.58 118.02 2jmh h GLU 86 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jmh h GLU 86 Cb 0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2jmh h GLU 86 CO 0.00 0.43 0.13 0.00 -1.00 0.00 0.00 179.01 178.58 2jmh h ARG 87 N 0.68 0.32 0.33 2.33 2.47 -0.26 0.25 114.38 120.50 2jmh h ARG 87 Ca 0.33 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2jmh h ARG 87 Cb 0.28 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2jmh h ARG 87 CO -0.22 0.29 -0.32 0.35 0.56 0.00 0.00 179.97 180.63 2jmh h PHE 88 N 0.26 -0.85 -0.71 3.04 3.57 -0.66 0.26 116.94 121.86 2jmh h PHE 88 Ca 0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2jmh h PHE 88 Cb 0.06 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2jmh h PHE 88 CO -0.04 -0.45 0.40 -0.91 -2.23 0.00 0.00 178.31 175.08 2jmh h ASN 89 N -0.67 0.87 -0.30 0.41 -0.26 -1.19 -1.71 115.58 112.72 2jmh h ASN 89 Ca -0.02 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2jmh h ASN 89 Cb 0.61 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 2jmh h ASN 89 CO -0.05 0.71 0.20 1.88 -1.06 0.00 0.00 177.43 179.10 2jmh h TYR 90 N 0.97 0.39 0.40 1.19 -1.99 -0.21 0.23 116.97 117.96 2jmh h TYR 90 Ca 0.25 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.97 2jmh h TYR 90 Cb 0.02 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.62 2jmh h TYR 90 CO -0.01 0.26 -0.21 1.49 -0.00 0.00 0.00 178.16 179.70 2jmh h GLU 91 N 0.40 -0.54 -0.16 4.88 4.81 -0.24 -1.26 114.58 122.47 2jmh h GLU 91 Ca 0.11 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2jmh h GLU 91 Cb -0.03 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2jmh h GLU 91 CO -0.02 -0.36 0.08 1.49 -0.73 0.00 0.00 179.01 179.46 2jmh h GLU 92 N -0.56 0.16 -0.29 1.92 4.81 -1.21 -0.23 114.58 119.18 2jmh h GLU 92 Ca -0.05 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2jmh h GLU 92 Cb 0.44 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 2jmh h GLU 92 CO 0.08 0.11 -0.21 0.00 -0.73 0.00 0.00 179.01 178.26 2jmh h ALA 93 N 1.08 -0.03 -0.35 2.92 0.00 -0.44 -0.49 119.26 121.96 2jmh h ALA 93 Ca 0.06 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2jmh h ALA 93 Cb 0.01 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jmh h ALA 93 CO -0.05 -0.62 0.01 0.37 0.00 0.00 0.00 179.25 178.97 2jmh h GLN 94 N -0.19 0.53 0.19 0.00 4.15 -1.03 -1.50 115.11 117.27 2jmh h GLN 94 Ca 0.15 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2jmh h GLN 94 Cb 0.42 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 2jmh h GLN 94 CO -0.40 0.55 -0.10 1.15 -1.93 0.00 0.00 178.83 178.10 2jmh h THR 95 N 0.51 0.79 -0.52 2.39 2.02 0.48 0.20 112.91 118.78 2jmh h THR 95 Ca 0.11 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 2jmh h THR 95 Cb 0.32 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2jmh h THR 95 CO 0.01 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.84 2jmh h LEU 96 N -0.27 0.89 -0.28 2.58 3.38 -1.07 -1.61 115.31 118.93 2jmh h LEU 96 Ca -0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2jmh h LEU 96 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jmh h LEU 96 CO 0.03 0.97 0.16 0.77 0.09 0.00 0.00 178.44 180.47 2jmh h SER 97 N 0.78 0.35 0.03 -0.43 4.64 -1.11 -0.54 113.55 117.28 2jmh h SER 97 Ca 0.15 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2jmh h SER 97 Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2jmh h SER 97 CO 0.02 0.32 -0.01 0.11 -0.87 0.00 0.00 176.83 176.40 2jmh h LYS 98 N 0.35 -0.04 -0.68 4.77 6.56 -0.53 -1.26 116.57 125.74 2jmh h LYS 98 Ca 0.10 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.76 2jmh h LYS 98 Cb 0.05 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.66 2jmh h LYS 98 CO -0.02 0.07 0.37 0.82 -2.06 0.00 0.00 179.45 178.64 2jmh h ILE 99 N -0.14 0.95 -0.18 1.86 2.04 -1.18 -1.49 117.51 119.38 2jmh h ILE 99 Ca -0.00 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2jmh h ILE 99 Cb 0.13 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2jmh h ILE 99 CO 0.01 0.12 0.10 -0.07 0.00 0.00 0.00 178.15 178.31 2jmh h LEU 100 N 0.68 0.22 -0.63 1.44 -0.00 -0.91 -1.50 115.31 114.61 2jmh h LEU 100 Ca 0.31 -0.07 0.07 0.00 -0.00 0.00 0.00 57.88 58.18 2jmh h LEU 100 Cb 0.21 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 40.75 2jmh h LEU 100 CO -0.19 0.23 0.31 -0.07 -0.00 0.00 0.00 178.44 178.72 2jmh h LEU 101 N 0.19 0.43 0.22 1.67 3.38 -0.74 0.26 115.31 120.72 2jmh h LEU 101 Ca 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jmh h LEU 101 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jmh h LEU 101 CO -0.01 0.27 -0.11 0.11 0.09 0.00 0.00 178.44 178.79 2jmh h LYS 102 N 0.57 -0.28 -0.73 1.13 1.57 -1.04 -1.08 116.57 116.71 2jmh h LYS 102 Ca 0.30 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.17 2jmh h LYS 102 Cb 0.26 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2jmh h LYS 102 CO -0.22 -0.14 0.41 0.22 -0.57 0.00 0.00 179.45 179.15 2jmh h ASP 103 N -0.36 0.60 -0.27 0.86 1.82 -0.89 -1.45 116.42 116.72 2jmh h ASP 103 Ca -0.03 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jmh h ASP 103 Cb 0.28 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2jmh h ASP 103 CO 0.05 0.38 0.17 0.25 -1.61 0.00 0.00 179.24 178.47 2jmh h LEU 104 N 0.73 0.33 0.06 2.28 5.85 -0.76 -1.30 115.31 122.50 2jmh h LEU 104 Ca 0.33 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.02 2jmh h LEU 104 Cb 0.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2jmh h LEU 104 CO -0.20 0.27 -0.15 0.50 -0.34 0.00 0.00 178.44 178.52 2jmh h LYS 105 N 0.35 -0.27 -0.10 1.25 3.64 -0.61 -0.89 116.57 119.95 2jmh h LYS 105 Ca 0.10 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2jmh h LYS 105 Cb 0.00 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2jmh h LYS 105 CO -0.02 -0.18 -0.14 1.49 -2.27 0.00 0.00 179.45 178.33 2jmh h GLU 106 N -0.28 -0.19 -0.60 1.90 4.81 -1.15 -1.37 114.58 117.71 2jmh h GLU 106 Ca 0.03 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2jmh h GLU 106 Cb 0.31 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 2jmh h GLU 106 CO -0.10 -0.12 0.21 1.15 -0.73 0.00 0.00 179.01 179.42 2jmh h THR 107 N -0.19 0.75 0.29 0.32 2.02 -1.01 -1.39 112.91 113.70 2jmh h THR 107 Ca 0.08 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2jmh h THR 107 Cb 0.31 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2jmh h THR 107 CO -0.21 0.07 -0.23 -0.08 0.37 0.00 0.00 175.52 175.44 2jmh h GLU 108 N 0.39 -0.50 -0.56 6.66 4.81 -0.60 -0.96 114.58 123.82 2jmh h GLU 108 Ca 0.31 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.68 2jmh h GLU 108 Cb 0.39 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 2jmh h GLU 108 CO -0.32 -0.33 0.07 0.37 -0.73 0.00 0.00 179.01 178.07 2jmh h GLN 109 N -0.52 0.18 -0.55 1.92 -0.00 -0.78 -0.13 115.11 115.23 2jmh h GLN 109 Ca -0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2jmh h GLN 109 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 2jmh h GLN 109 CO -0.01 0.12 0.34 -0.22 0.00 0.00 0.00 178.83 179.06 2jmh h LYS 110 N 0.19 0.66 0.64 1.69 1.63 -0.99 0.18 116.57 120.58 2jmh h LYS 110 Ca 0.29 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 2jmh h LYS 110 Cb 0.44 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2jmh h LYS 110 CO -0.42 0.44 -0.32 0.28 -3.45 0.00 0.00 179.45 175.98 2jmh h VAL 111 N 0.68 0.35 0.00 2.00 2.07 0.09 -0.97 116.25 120.48 2jmh h VAL 111 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 2jmh h VAL 111 Cb -0.01 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2jmh h VAL 111 CO -0.08 0.00 -0.04 0.07 0.02 0.00 0.00 177.57 177.54 2jmh h LYS 112 N -0.87 0.00 -0.03 1.57 2.10 -0.95 -2.69 116.57 115.70 2jmh h LYS 112 Ca -0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 2jmh h LYS 112 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2jmh h LYS 112 CO 0.14 0.04 -0.08 0.22 -2.00 0.00 0.00 179.45 177.77 2jmh h ASP 113 N 0.00 0.12 -2.27 7.07 3.58 -0.05 -3.44 116.42 121.43 2jmh h ASP 113 Ca -0.00 -0.61 -0.57 0.00 0.42 0.00 0.00 57.03 56.27 2jmh h ASP 113 Cb 0.19 -0.04 0.04 0.00 1.72 0.00 0.00 39.33 41.24 2jmh h ASP 113 CO 0.01 0.71 1.04 -0.38 -2.88 0.00 0.00 179.24 177.74 2jmh n ILE 114 N -4.69 0.39 -2.89 2.25 -0.00 -0.42 -4.94 119.36 109.05 2jmh n ILE 114 Ca -0.08 -0.07 -0.40 0.00 -0.00 0.00 0.00 62.75 62.19 2jmh n ILE 114 Cb 0.36 -1.92 -0.05 0.00 -0.00 0.00 0.00 39.64 38.03 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 2.91 4.58 0.18 0.38 -2.07 -1.26 -4.98 119.66 119.40 2jmh s GLN 115 Ca 0.85 1.21 -0.07 0.00 -1.82 0.00 0.00 55.36 55.54 2jmh s GLN 115 Cb -0.60 -3.35 -0.02 0.00 -1.09 0.00 0.00 33.01 27.95 2jmh s GLN 115 CO 0.43 0.30 0.26 0.95 -1.32 0.00 0.00 175.29 175.91 2jmh s THR 116 N -0.21 0.04 -2.39 3.63 -4.23 -1.26 -4.92 115.64 106.29 2jmh s THR 116 Ca 0.41 -1.60 0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2jmh s THR 116 Cb -0.22 -2.09 0.15 0.00 1.34 0.00 0.00 72.50 71.68 2jmh s THR 116 CO 0.26 -0.19 1.11 1.67 -0.54 0.00 0.00 174.62 176.92