#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh s GLU 2 N 0.00 3.19 -0.12 2.61 2.02 -1.26 -5.09 118.70 120.05 2jmh s GLU 2 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.10 2jmh s GLU 2 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2jmh s GLU 2 CO 0.00 -0.49 -0.22 -1.58 0.02 0.00 0.00 175.26 172.99 2jmh s HIS 3 N -2.89 2.63 0.35 1.61 5.65 -1.26 -5.13 115.29 116.26 2jmh s HIS 3 Ca 0.51 -1.11 0.01 0.00 0.25 0.00 0.00 55.06 54.72 2jmh s HIS 3 Cb -0.10 -1.77 -0.03 0.00 -1.18 0.00 0.00 32.58 29.50 2jmh s HIS 3 CO 0.45 -0.47 0.55 0.15 -0.65 0.00 0.00 174.74 174.77 2jmh s LYS 4 N 0.53 3.42 0.86 2.88 1.02 -1.26 -5.09 119.74 122.10 2jmh s LYS 4 Ca -0.13 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 2jmh s LYS 4 Cb -0.17 -2.67 0.11 0.00 -0.52 0.00 0.00 37.83 34.58 2jmh s LYS 4 CO 0.05 0.11 1.09 -1.25 -0.92 0.00 0.00 175.35 174.43 2jmh s PRO 5 N -4.32 1.51 -0.28 -1.68 0.04 -1.26 -5.08 135.00 123.93 2jmh s PRO 5 Ca 0.41 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 2jmh s PRO 5 Cb -0.10 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.70 2jmh s PRO 5 CO 0.36 -2.09 0.78 0.21 0.04 0.00 0.00 177.00 176.30 2jmh s LYS 6 N -4.93 0.71 -0.03 4.56 2.20 -1.26 -5.14 119.74 115.86 2jmh s LYS 6 Ca 0.63 0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 56.92 2jmh s LYS 6 Cb -0.18 0.29 0.10 0.00 -1.51 0.00 0.00 37.83 36.53 2jmh s LYS 6 CO 0.57 -0.10 0.86 0.21 -0.36 0.00 0.00 175.35 176.53 2jmh s LYS 7 N 0.76 0.84 0.60 4.03 2.47 -1.26 -5.01 119.74 122.16 2jmh s LYS 7 Ca -0.03 -0.17 0.30 0.00 -1.56 0.00 0.00 55.97 54.52 2jmh s LYS 7 Cb -0.05 0.39 1.73 0.00 -1.46 0.00 0.00 37.83 38.44 2jmh s LYS 7 CO -0.07 -0.34 2.12 0.38 0.16 0.00 0.00 175.35 177.60 2jmh h ASP 8 N 2.22 0.00 -0.83 1.43 2.03 -2.03 0.71 116.42 119.95 2jmh h ASP 8 Ca -0.23 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.63 2jmh h ASP 8 Cb 1.22 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.46 2jmh h ASP 8 CO 0.32 0.00 0.56 0.47 -1.03 0.00 0.00 179.24 179.56 2jmh n ASP 9 N -3.68 3.77 -3.18 4.15 8.00 -1.26 -4.98 116.55 119.37 2jmh n ASP 9 Ca 0.01 -3.35 -0.17 0.00 0.71 0.00 0.00 54.79 51.99 2jmh n ASP 9 Cb 0.30 -0.79 0.16 0.00 -0.02 0.00 0.00 41.12 40.77 2jmh n ASP 9 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2jmh n PHE 10 N -0.86 -2.83 -1.42 1.24 1.16 0.24 -4.98 117.46 110.00 2jmh n PHE 10 Ca 0.50 -0.39 -0.29 0.00 -1.87 0.00 0.00 57.45 55.40 2jmh n PHE 10 Cb 1.45 -0.80 0.16 0.00 -1.61 0.00 0.00 39.48 38.67 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2jmh s ARG 11 N -3.91 0.76 0.18 3.97 3.00 -1.26 -5.07 118.95 116.62 2jmh s ARG 11 Ca 0.37 0.29 -0.07 0.00 0.00 0.00 0.00 55.73 56.32 2jmh s ARG 11 Cb -0.06 -1.80 -0.02 0.00 0.00 0.00 0.00 34.95 33.07 2jmh s ARG 11 CO 0.31 -2.45 0.26 0.54 0.00 0.00 0.00 175.30 173.96 2jmh s ASN 12 N -3.90 0.07 0.10 0.23 2.20 -1.26 -5.18 114.94 107.20 2jmh s ASN 12 Ca 0.65 -0.99 0.05 0.00 -0.94 0.00 0.00 52.86 51.62 2jmh s ASN 12 Cb -0.15 0.43 -0.03 0.00 -2.00 0.00 0.00 41.25 39.50 2jmh s ASN 12 CO 0.55 -0.90 -0.12 -1.61 -2.94 0.00 0.00 177.10 172.07 2jmh s GLU 13 N -4.01 0.89 -0.02 3.55 2.02 -1.26 -5.04 118.70 114.83 2jmh s GLU 13 Ca 0.22 -1.13 0.05 0.00 0.02 0.00 0.00 54.97 54.13 2jmh s GLU 13 Cb 0.04 -0.72 -0.07 0.00 0.10 0.00 0.00 34.13 33.48 2jmh s GLU 13 CO 0.03 0.13 0.09 1.97 0.02 0.00 0.00 175.26 177.50 2jmh n PHE 14 N 0.73 0.00 0.03 1.61 -1.74 -1.26 -4.72 117.46 112.11 2jmh n PHE 14 Ca -0.17 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.61 2jmh n PHE 14 Cb 0.57 -0.15 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 2jmh n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 2jmh h ASP 15 N 0.00 -0.13 -7.06 5.98 5.19 -2.05 -3.46 116.42 114.88 2jmh h ASP 15 Ca -0.03 -0.43 -0.61 0.00 -0.62 0.00 0.00 57.03 55.34 2jmh h ASP 15 Cb 0.51 0.03 -0.36 0.00 0.18 0.00 0.00 39.33 39.70 2jmh h ASP 15 CO 0.00 0.46 -0.88 0.00 -3.12 0.00 0.00 179.24 175.70 2jmh n HIS 16 N -4.87 -1.13 -1.01 4.55 1.44 -1.26 -4.88 115.22 108.06 2jmh n HIS 16 Ca -0.08 0.66 -0.30 0.00 -2.01 0.00 0.00 57.72 55.99 2jmh n HIS 16 Cb 0.28 -1.87 0.25 0.00 0.12 0.00 0.00 29.99 28.77 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2jmh s LEU 17 N -7.05 0.49 0.02 2.39 2.01 -1.26 -4.62 118.68 110.66 2jmh s LEU 17 Ca 0.75 0.63 -0.08 0.00 0.01 0.00 0.00 54.13 55.44 2jmh s LEU 17 Cb -0.44 -2.31 -0.04 0.00 0.01 0.00 0.00 46.19 43.42 2jmh s LEU 17 CO 0.99 -4.29 1.13 -0.07 1.01 0.00 0.00 176.35 175.11 2jmh h LEU 18 N -2.70 -0.35 -0.85 1.79 4.07 -2.00 -0.49 115.31 114.79 2jmh h LEU 18 Ca -0.44 0.03 0.16 0.00 0.08 0.00 0.00 57.88 57.71 2jmh h LEU 18 Cb 1.30 0.13 -0.10 0.00 1.08 0.00 0.00 40.66 43.06 2jmh h LEU 18 CO 0.32 -0.13 0.41 0.40 -1.08 0.00 0.00 178.44 178.36 2jmh h ILE 19 N -0.19 0.66 -0.17 1.22 1.08 -1.99 -1.10 117.51 117.03 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 0.18 0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 33.93 2jmh h ILE 19 CO -0.05 0.10 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.93 2jmh h GLU 20 N 0.55 -0.28 -0.70 2.37 4.39 -1.79 0.25 114.58 119.36 2jmh h GLU 20 Ca 0.48 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 2jmh h GLU 20 Cb 0.74 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2jmh h GLU 20 CO -0.40 -0.19 0.38 0.37 -1.16 0.00 0.00 179.01 178.01 2jmh h GLN 21 N -0.29 0.98 -0.34 2.33 5.75 -0.11 -1.37 115.11 122.06 2jmh h GLN 21 Ca 0.11 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2jmh h GLN 21 Cb 0.46 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 2jmh h GLN 21 CO -0.34 0.74 0.22 0.00 -2.65 0.00 0.00 178.83 176.80 2jmh h ALA 22 N 1.19 0.43 -0.64 3.38 0.00 -0.44 -0.24 119.26 122.94 2jmh h ALA 22 Ca 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jmh h ALA 22 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jmh h ALA 22 CO -0.04 -0.10 0.29 -0.91 0.00 0.00 0.00 179.25 178.49 2jmh h ASN 23 N 0.46 0.85 -0.45 0.00 2.35 -0.29 -1.32 115.58 117.18 2jmh h ASN 23 Ca 0.12 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2jmh h ASN 23 Cb -0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2jmh h ASN 23 CO -0.03 0.76 0.08 -0.74 -1.65 0.00 0.00 177.43 175.85 2jmh h HIS 24 N 0.89 0.85 0.07 1.19 2.76 -0.95 -0.14 115.15 119.82 2jmh h HIS 24 Ca 0.22 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2jmh h HIS 24 Cb 0.15 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2jmh h HIS 24 CO 0.01 0.74 -0.03 0.00 -1.30 0.00 0.00 177.93 177.34 2jmh h ALA 25 N 1.31 -0.10 -0.24 5.26 0.00 -0.66 -1.48 119.26 123.35 2jmh h ALA 25 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 25 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jmh h ALA 25 CO 0.01 -0.38 -0.06 -0.84 0.00 0.00 0.00 179.25 177.98 2jmh h ILE 26 N -0.45 1.18 0.54 0.00 3.07 -1.17 -1.31 117.51 119.37 2jmh h ILE 26 Ca -0.01 -0.77 -0.03 0.00 1.55 0.00 0.00 64.86 65.61 2jmh h ILE 26 Cb 0.39 1.07 0.01 0.00 -0.27 0.00 0.00 36.82 38.02 2jmh h ILE 26 CO 0.02 0.25 -0.26 -0.08 -1.05 0.00 0.00 178.15 177.03 2jmh h GLU 27 N 0.36 -0.70 -0.09 0.16 4.81 -0.95 -0.50 114.58 117.67 2jmh h GLU 27 Ca 0.08 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2jmh h GLU 27 Cb 0.34 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2jmh h GLU 27 CO 0.02 -0.40 -0.12 -0.22 -0.73 0.00 0.00 179.01 177.55 2jmh h LYS 28 N -1.09 -0.16 -0.43 1.92 3.64 -1.23 -1.39 116.57 117.83 2jmh h LYS 28 Ca -0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2jmh h LYS 28 Cb 0.62 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2jmh h LYS 28 CO 0.12 -0.11 0.23 0.78 -2.27 0.00 0.00 179.45 178.20 2jmh h GLY 29 N -0.17 0.60 0.65 5.01 0.00 -1.31 -1.30 103.07 106.54 2jmh h GLY 29 Ca 0.07 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2jmh h GLY 29 CO -0.19 0.12 0.32 -2.09 0.00 0.00 0.00 176.54 174.70 2jmh h GLU 30 N 0.46 0.57 -0.12 4.80 4.22 -0.72 0.70 114.58 124.50 2jmh h GLU 30 Ca 0.18 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 2jmh h GLU 30 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2jmh h GLU 30 CO -0.12 0.38 0.06 1.25 -2.18 0.00 0.00 179.01 178.40 2jmh h HIS 31 N 0.59 0.18 0.00 0.92 2.76 -0.83 -1.09 115.15 117.68 2jmh h HIS 31 Ca 0.28 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 2jmh h HIS 31 Cb 0.20 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 2jmh h HIS 31 CO -0.10 0.23 -0.12 1.96 -1.30 0.00 0.00 177.93 178.60 2jmh h GLN 32 N 0.07 0.00 0.09 5.26 4.20 -0.80 -0.72 115.11 123.22 2jmh h GLN 32 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jmh h GLN 32 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jmh h GLN 32 CO -0.01 0.12 -0.04 1.25 -0.67 0.00 0.00 178.83 179.48 2jmh h LEU 33 N 0.00 -0.10 -1.53 1.46 7.12 -0.41 -0.43 115.31 121.42 2jmh h LEU 33 Ca -0.00 -0.47 -0.04 0.00 0.13 0.00 0.00 57.88 57.50 2jmh h LEU 33 Cb 0.22 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 2jmh h LEU 33 CO 0.02 0.47 -0.07 0.17 -0.13 0.00 0.00 178.44 178.89 2jmh h LEU 34 N -0.72 0.19 -0.03 2.25 8.10 -1.02 0.63 115.31 124.72 2jmh h LEU 34 Ca -0.01 -0.03 -0.14 0.00 0.11 0.00 0.00 57.88 57.81 2jmh h LEU 34 Cb 0.56 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.74 2jmh h LEU 34 CO 0.02 0.30 -0.53 0.22 -4.11 0.00 0.00 178.44 174.34 2jmh h TYR 35 N 0.20 0.59 0.00 0.17 5.03 -1.15 -3.25 116.97 118.56 2jmh h TYR 35 Ca 0.05 -0.30 -0.09 0.00 2.58 0.00 0.00 58.73 60.97 2jmh h TYR 35 Cb 0.27 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2jmh h TYR 35 CO 0.00 1.10 -0.42 -0.07 -1.32 0.00 0.00 178.16 177.46 2jmh h LEU 36 N -0.10 0.00 -1.36 2.82 3.38 -0.81 -2.97 115.31 116.28 2jmh h LEU 36 Ca -0.06 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.13 2jmh h LEU 36 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2jmh h LEU 36 CO 0.11 0.42 0.63 -0.61 0.09 0.00 0.00 178.44 179.07 2jmh h GLN 37 N 0.00 0.46 0.39 1.13 4.15 -0.90 -1.22 115.11 119.12 2jmh h GLN 37 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 37 Cb 0.78 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2jmh h GLN 37 CO 0.05 0.31 -0.19 0.45 -1.93 0.00 0.00 178.83 177.53 2jmh h HIS 38 N 0.48 -0.48 -0.97 3.99 3.86 -1.65 -1.14 115.15 119.24 2jmh h HIS 38 Ca 0.54 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.86 2jmh h HIS 38 Cb 1.23 0.16 -0.08 0.00 1.06 0.00 0.00 27.41 29.78 2jmh h HIS 38 CO -0.00 -0.20 0.62 1.96 0.86 0.00 0.00 177.93 181.17 2jmh h GLN 39 N -0.71 0.91 0.01 2.45 4.20 -1.41 -1.54 115.11 119.01 2jmh h GLN 39 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2jmh h GLN 39 Cb 0.50 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2jmh h GLN 39 CO 0.09 0.60 -0.00 1.25 -0.67 0.00 0.00 178.83 180.09 2jmh h LEU 40 N 0.94 -0.01 -0.54 1.46 6.46 -1.13 0.22 115.31 122.70 2jmh h LEU 40 Ca 0.48 -0.24 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 2jmh h LEU 40 Cb 0.52 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 2jmh h LEU 40 CO -0.24 0.24 0.16 -0.78 -0.62 0.00 0.00 178.44 177.19 2jmh h ASP 41 N -0.26 0.10 0.74 1.25 3.58 -0.53 0.25 116.42 121.56 2jmh h ASP 41 Ca -0.00 0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 2jmh h ASP 41 Cb 0.25 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2jmh h ASP 41 CO 0.00 0.08 -0.56 1.05 -2.88 0.00 0.00 179.24 176.94 2jmh h GLU 42 N 0.31 0.00 -0.03 0.28 4.11 -1.23 -3.02 114.58 115.00 2jmh h GLU 42 Ca 0.27 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.60 2jmh h GLU 42 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 42 CO -0.31 0.56 -0.47 1.25 0.07 0.00 0.00 179.01 180.10 2jmh h LEU 43 N 0.00 0.07 -0.87 3.06 6.46 0.94 -0.98 115.31 123.99 2jmh h LEU 43 Ca -0.01 -0.03 0.15 0.00 -0.12 0.00 0.00 57.88 57.87 2jmh h LEU 43 Cb 1.07 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 2jmh h LEU 43 CO 0.07 0.53 0.46 0.78 -0.62 0.00 0.00 178.44 179.67 2jmh h ASN 44 N 0.05 0.57 0.03 1.25 2.35 -0.88 0.38 115.58 119.34 2jmh h ASN 44 Ca 0.00 0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 2jmh h ASN 44 Cb 0.86 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 2jmh h ASN 44 CO 0.06 0.24 -1.51 1.21 -1.65 0.00 0.00 177.43 175.78 2jmh n GLU 45 N -4.85 0.61 -0.27 0.81 2.13 -1.16 -4.21 120.64 113.72 2jmh n GLU 45 Ca 0.18 0.49 0.15 0.00 0.66 0.00 0.00 57.16 58.63 2jmh n GLU 45 Cb 0.44 -1.72 0.43 0.00 0.27 0.00 0.00 31.44 30.85 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2jmh h ASN 46 N -0.74 0.57 -4.50 4.31 -0.73 -1.04 -3.45 115.58 110.01 2jmh h ASN 46 Ca -0.39 0.05 -0.28 0.00 1.87 0.00 0.00 56.30 57.55 2jmh h ASN 46 Cb 1.50 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.99 2jmh h ASN 46 CO -0.15 0.26 -0.39 0.29 -0.37 0.00 0.00 177.43 177.07 2jmh n LYS 47 N -4.57 -2.78 -2.42 6.67 4.76 0.13 -4.87 118.16 115.09 2jmh n LYS 47 Ca 0.19 0.52 -0.43 0.00 -2.87 0.00 0.00 58.31 55.72 2jmh n LYS 47 Cb 0.57 -5.16 -0.02 0.00 -1.84 0.00 0.00 35.03 28.57 2jmh n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jmh s SER 48 N -2.29 6.82 0.26 4.39 0.01 -1.26 -4.74 113.70 116.89 2jmh s SER 48 Ca 0.15 1.50 -0.03 0.00 1.31 0.00 0.00 55.95 58.88 2jmh s SER 48 Cb -0.08 -2.54 0.41 0.00 0.21 0.00 0.00 66.02 64.02 2jmh s SER 48 CO 0.19 -0.90 1.84 0.07 0.41 0.00 0.00 173.24 174.85 2jmh h LYS 49 N 8.69 0.94 0.17 12.44 2.10 -1.93 -1.13 116.57 137.85 2jmh h LYS 49 Ca -0.26 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 2jmh h LYS 49 Cb 1.10 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2jmh h LYS 49 CO 1.00 0.62 -0.08 0.93 -2.00 0.00 0.00 179.45 179.91 2jmh h GLU 50 N 0.96 -0.22 -0.94 0.07 5.08 -1.97 -0.69 114.58 116.88 2jmh h GLU 50 Ca 0.42 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.93 2jmh h GLU 50 Cb 0.29 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 2jmh h GLU 50 CO -0.21 0.03 0.60 1.25 -1.00 0.00 0.00 179.01 179.67 2jmh h LEU 51 N -0.46 0.75 0.36 1.33 5.85 -1.87 -0.04 115.31 121.23 2jmh h LEU 51 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jmh h LEU 51 Cb 0.36 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2jmh h LEU 51 CO 0.04 0.38 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.74 2jmh h GLN 52 N 0.80 -0.46 -0.72 1.25 4.15 -1.05 -1.04 115.11 118.03 2jmh h GLN 52 Ca 0.47 0.03 0.20 0.00 0.77 0.00 0.00 58.65 60.12 2jmh h GLN 52 Cb 0.66 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2jmh h GLN 52 CO -0.24 -0.15 0.51 0.93 -1.93 0.00 0.00 178.83 177.95 2jmh h GLU 53 N -0.96 0.07 0.13 1.69 5.08 -0.74 0.22 114.58 120.07 2jmh h GLU 53 Ca -0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jmh h GLU 53 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jmh h GLU 53 CO 0.08 0.04 -0.06 0.87 -1.00 0.00 0.00 179.01 178.94 2jmh h LYS 54 N 0.07 -0.16 0.07 2.33 1.79 -0.96 -2.86 116.57 116.84 2jmh h LYS 54 Ca 0.34 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 2jmh h LYS 54 Cb 1.27 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 2jmh h LYS 54 CO -0.03 0.23 -0.13 0.82 -1.08 0.00 0.00 179.45 179.26 2jmh h ILE 55 N -0.95 0.70 -0.71 1.86 2.04 -0.53 -1.25 117.51 118.66 2jmh h ILE 55 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 2jmh h ILE 55 Cb 0.47 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2jmh h ILE 55 CO 0.03 0.00 0.48 -0.29 0.00 0.00 0.00 178.15 178.37 2jmh h ILE 56 N -0.25 0.78 0.15 -0.67 6.09 -0.73 0.25 117.51 123.13 2jmh h ILE 56 Ca 0.02 -0.12 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 2jmh h ILE 56 Cb 0.27 0.42 0.00 0.00 0.47 0.00 0.00 36.82 37.98 2jmh h ILE 56 CO -0.08 0.06 -0.07 0.03 -3.07 0.00 0.00 178.15 175.02 2jmh h ARG 57 N 0.34 -0.20 -0.48 2.19 -0.00 -1.11 -0.08 114.38 115.04 2jmh h ARG 57 Ca 0.35 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.83 2jmh h ARG 57 Cb 0.88 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.88 2jmh h ARG 57 CO -0.10 0.22 0.24 1.49 0.00 0.00 0.00 179.97 181.83 2jmh h GLU 58 N -0.71 0.69 -0.68 0.04 4.81 -0.58 -1.38 114.58 116.78 2jmh h GLU 58 Ca -0.02 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2jmh h GLU 58 Cb 0.51 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2jmh h GLU 58 CO 0.03 0.57 0.13 1.25 -0.73 0.00 0.00 179.01 180.26 2jmh h LEU 59 N 0.64 1.06 0.28 1.64 5.85 -0.60 -1.14 115.31 123.05 2jmh h LEU 59 Ca 0.17 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2jmh h LEU 59 Cb 0.10 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2jmh h LEU 59 CO -0.02 1.04 -0.14 -0.78 -0.34 0.00 0.00 178.44 178.20 2jmh h ASP 60 N 1.04 -0.32 0.24 1.25 3.58 -0.73 0.28 116.42 121.75 2jmh h ASP 60 Ca 0.21 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2jmh h ASP 60 Cb 0.42 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2jmh h ASP 60 CO 0.01 -0.16 -0.15 0.58 -2.88 0.00 0.00 179.24 176.64 2jmh h VAL 61 N -0.46 0.68 0.52 2.25 2.07 -1.21 0.10 116.25 120.20 2jmh h VAL 61 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2jmh h VAL 61 Cb 0.35 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 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 -0.38 0.34 -0.46 2.57 2.07 -1.19 -1.26 116.25 117.94 2jmh h VAL 62 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2jmh h VAL 62 Cb 0.32 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2jmh h VAL 62 CO 0.02 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.94 2jmh h ALA 64 N 1.77 -0.73 -0.83 0.00 0.00 -0.18 0.45 119.26 119.74 2jmh h ALA 64 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jmh h ALA 64 Cb 0.75 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jmh h ALA 64 CO -0.02 -0.71 0.40 0.00 0.00 0.00 0.00 179.25 178.91 2jmh h MET 65 N -1.12 1.19 -0.13 0.00 -0.00 -0.86 -1.52 114.93 112.50 2jmh h MET 65 Ca -0.07 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.70 59.44 2jmh h MET 65 Cb 0.61 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.99 2jmh h MET 65 CO 0.12 0.92 0.03 0.82 -0.00 0.00 0.00 176.91 178.80 2jmh h ILE 66 N 1.18 1.20 0.07 -0.10 5.03 -0.65 -0.84 117.51 123.40 2jmh h ILE 66 Ca 0.29 -0.64 0.01 0.00 -0.12 0.00 0.00 64.86 64.39 2jmh h ILE 66 Cb 0.12 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.28 2jmh h ILE 66 CO -0.04 0.19 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.21 2jmh h GLU 67 N 0.00 -0.18 -0.55 2.37 4.39 -0.72 0.16 114.58 120.05 2jmh h GLU 67 Ca 0.04 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2jmh h GLU 67 Cb 0.27 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2jmh h GLU 67 CO 0.00 -0.12 0.36 0.78 -1.16 0.00 0.00 179.01 178.87 2jmh h GLY 68 N -0.19 0.78 0.79 -3.84 0.00 -1.27 -0.89 103.07 98.45 2jmh h GLY 68 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jmh h GLY 68 CO -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 176.54 176.73 2jmh h ALA 69 N 1.22 -0.09 -0.53 3.60 0.00 -0.93 -1.32 119.26 121.21 2jmh h ALA 69 Ca 0.21 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2jmh h ALA 69 Cb -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2jmh h ALA 69 CO -0.06 -0.44 0.20 0.37 0.00 0.00 0.00 179.25 179.32 2jmh h GLN 70 N -0.30 0.38 0.16 0.00 -0.00 -0.55 0.26 115.11 115.06 2jmh h GLN 70 Ca -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2jmh h GLN 70 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.66 2jmh h GLN 70 CO 0.01 0.25 -0.07 0.78 0.00 0.00 0.00 178.83 179.80 2jmh h GLY 71 N 0.39 -0.22 0.95 2.39 0.00 -1.09 -0.32 103.07 105.18 2jmh h GLY 71 Ca 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 2jmh h GLY 71 CO -0.25 -0.08 -0.34 0.00 0.00 0.00 0.00 176.54 175.87 2jmh h ALA 72 N 0.50 -0.95 -0.73 3.60 0.00 -0.94 -1.13 119.26 119.62 2jmh h ALA 72 Ca -0.02 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jmh h ALA 72 Cb 0.26 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2jmh h ALA 72 CO 0.04 -1.00 0.27 1.25 0.00 0.00 0.00 179.25 179.80 2jmh h LEU 73 N -1.01 0.23 0.05 0.00 6.46 -0.53 0.93 115.31 121.43 2jmh h LEU 73 Ca -0.10 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jmh h LEU 73 Cb 0.74 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 2jmh h LEU 73 CO 0.16 0.09 -0.04 -0.33 -0.62 0.00 0.00 178.44 177.70 2jmh h GLU 74 N 0.41 -0.09 0.00 1.25 4.39 -0.92 0.19 114.58 119.82 2jmh h GLU 74 Ca 0.40 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 2jmh h GLU 74 Cb 0.60 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2jmh h GLU 74 CO -0.40 -0.06 -0.09 0.00 -1.16 0.00 0.00 179.01 177.29 2jmh h ARG 75 N -0.10 0.00 0.05 2.33 2.47 -0.25 0.19 114.38 119.09 2jmh h ARG 75 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jmh h ARG 75 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2jmh h ARG 75 CO -0.01 0.09 -0.03 1.49 0.56 0.00 0.00 179.97 182.08 2jmh h GLU 76 N 0.00 -0.07 0.00 0.04 4.22 -0.10 -3.32 114.58 115.36 2jmh h GLU 76 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 2jmh h GLU 76 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jmh h GLU 76 CO 0.01 0.44 -0.20 1.37 -2.18 0.00 0.00 179.01 178.45 2jmh h LEU 77 N -0.95 0.00 -2.52 1.64 8.10 -0.51 -2.03 115.31 119.03 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2jmh h LEU 77 CO 0.01 0.20 0.00 0.11 -4.11 0.00 0.00 178.44 174.65 2jmh h LYS 78 N 0.00 0.00 -0.83 0.17 1.79 -0.70 -2.32 116.57 114.67 2jmh h LYS 78 Ca -0.00 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.70 2jmh h LYS 78 Cb 0.43 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2jmh h LYS 78 CO 0.03 0.00 0.59 -0.09 -1.08 0.00 0.00 179.45 178.89 2jmh h ARG 79 N 0.00 0.09 -2.07 3.15 2.43 -1.47 -3.42 114.38 113.09 2jmh h ARG 79 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2jmh h ARG 79 Cb 0.05 -0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 29.39 2jmh h ARG 79 CO 0.00 0.06 0.15 0.95 -1.51 0.00 0.00 179.97 179.62 2jmh s THR 80 N -5.09 0.00 -0.23 0.20 -4.23 -0.87 -5.07 115.64 100.35 2jmh s THR 80 Ca -0.06 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2jmh s THR 80 Cb 0.21 -0.97 0.11 0.00 1.34 0.00 0.00 72.50 73.19 2jmh s THR 80 CO 0.77 -0.02 0.97 -0.90 -0.54 0.00 0.00 174.62 174.90 2jmh n ASP 81 N 1.18 -0.91 -4.38 3.99 5.75 -1.26 -4.92 116.55 116.00 2jmh n ASP 81 Ca -0.18 -1.59 -0.46 0.00 -0.01 0.00 0.00 54.79 52.55 2jmh n ASP 81 Cb 0.57 0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 41.32 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jmh s LEU 82 N -1.84 6.03 -0.29 -2.12 0.20 -1.26 -4.45 118.68 114.95 2jmh s LEU 82 Ca 0.05 -2.64 -0.35 0.00 0.69 0.00 0.00 54.13 51.87 2jmh s LEU 82 Cb 0.11 -2.29 0.17 0.00 -0.43 0.00 0.00 46.19 43.76 2jmh s LEU 82 CO -0.03 -0.70 1.39 0.21 -0.29 0.00 0.00 176.35 176.93 2jmh s ASN 83 N 2.56 -0.01 0.03 3.68 2.47 -1.26 -4.99 114.94 117.42 2jmh s ASN 83 Ca 0.26 0.00 -0.28 0.00 0.42 0.00 0.00 52.86 53.27 2jmh s ASN 83 Cb -0.08 0.01 -0.17 0.00 -1.45 0.00 0.00 41.25 39.56 2jmh s ASN 83 CO -0.08 -0.01 1.33 0.40 -3.72 0.00 0.00 177.10 175.02 2jmh h ILE 84 N 2.00 0.37 -0.34 -5.21 2.04 -1.99 0.51 117.51 114.90 2jmh h ILE 84 Ca -0.04 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jmh h ILE 84 Cb 1.15 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2jmh h ILE 84 CO 0.19 0.04 0.15 0.25 0.00 0.00 0.00 178.15 178.79 2jmh h LEU 85 N -0.95 0.45 -0.92 1.44 6.46 -1.99 -1.30 115.31 118.50 2jmh h LEU 85 Ca -0.08 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 2jmh h LEU 85 Cb 0.63 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 2jmh h LEU 85 CO 0.12 0.47 0.60 -0.33 -0.62 0.00 0.00 178.44 178.68 2jmh h GLU 86 N 0.41 1.14 -0.26 1.25 4.39 -1.92 -0.76 114.58 118.83 2jmh h GLU 86 Ca 0.12 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2jmh h GLU 86 Cb 0.14 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2jmh h GLU 86 CO -0.01 0.75 0.02 -0.09 -1.16 0.00 0.00 179.01 178.52 2jmh h ARG 87 N 1.17 0.45 0.57 2.33 2.43 -0.62 -0.52 114.38 120.20 2jmh h ARG 87 Ca 0.36 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2jmh h ARG 87 Cb -0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2jmh h ARG 87 CO -0.11 0.60 -0.29 0.35 -1.51 0.00 0.00 179.97 179.01 2jmh h PHE 88 N 0.25 -0.75 -0.69 2.20 3.57 -0.83 0.25 116.94 120.93 2jmh h PHE 88 Ca 0.08 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 2jmh h PHE 88 Cb 0.38 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 2jmh h PHE 88 CO 0.03 -0.46 0.40 -0.91 -2.23 0.00 0.00 178.31 175.14 2jmh h ASN 89 N -0.79 0.63 -0.26 0.41 4.21 -1.18 -1.50 115.58 117.11 2jmh h ASN 89 Ca -0.08 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 2jmh h ASN 89 Cb 0.61 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 2jmh h ASN 89 CO 0.12 0.42 0.10 1.88 -1.29 0.00 0.00 177.43 178.66 2jmh h TYR 90 N 0.76 0.39 0.15 1.19 -1.99 -0.91 0.21 116.97 116.77 2jmh h TYR 90 Ca 0.30 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 61.01 2jmh h TYR 90 Cb 0.13 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 2jmh h TYR 90 CO -0.06 0.41 -0.27 1.49 -0.00 0.00 0.00 178.16 179.72 2jmh h GLU 91 N 0.26 -0.49 -0.45 4.88 4.81 -0.07 -1.19 114.58 122.33 2jmh h GLU 91 Ca 0.09 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2jmh h GLU 91 Cb 0.18 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 91 CO -0.01 -0.33 0.29 1.49 -0.73 0.00 0.00 179.01 179.72 2jmh h GLU 92 N -0.51 0.61 -0.47 1.92 4.57 -1.24 -1.05 114.58 118.40 2jmh h GLU 92 Ca 0.02 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2jmh h GLU 92 Cb 0.52 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 2jmh h GLU 92 CO -0.14 0.42 -0.05 0.00 -1.18 0.00 0.00 179.01 178.07 2jmh h ALA 93 N 1.15 0.39 -0.41 2.92 0.00 -0.62 0.23 119.26 122.92 2jmh h ALA 93 Ca 0.16 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2jmh h ALA 93 Cb -0.04 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jmh h ALA 93 CO -0.03 -0.42 -0.17 0.37 0.00 0.00 0.00 179.25 179.00 2jmh h GLN 94 N 0.06 0.78 0.17 0.00 -0.00 -0.96 -1.31 115.11 113.86 2jmh h GLN 94 Ca 0.23 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2jmh h GLN 94 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 2jmh h GLN 94 CO -0.43 0.90 -0.09 1.15 0.00 0.00 0.00 178.83 180.35 2jmh h THR 95 N 0.69 0.80 -0.33 2.39 2.02 0.14 0.75 112.91 119.37 2jmh h THR 95 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2jmh h THR 95 Cb 0.67 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2jmh h THR 95 CO 0.05 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.91 2jmh h LEU 96 N -0.25 0.53 -0.59 2.58 3.38 -0.98 -1.69 115.31 118.29 2jmh h LEU 96 Ca -0.02 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2jmh h LEU 96 Cb 0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2jmh h LEU 96 CO 0.03 0.68 0.33 0.28 0.09 0.00 0.00 178.44 179.84 2jmh h SER 97 N 0.37 0.50 0.02 -0.43 0.02 -1.11 0.39 113.55 113.31 2jmh h SER 97 Ca 0.10 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jmh h SER 97 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2jmh h SER 97 CO 0.01 0.34 -0.01 0.11 -1.14 0.00 0.00 176.83 176.14 2jmh h LYS 98 N 0.63 -0.03 -0.12 3.45 1.57 -0.74 -0.96 116.57 120.38 2jmh h LYS 98 Ca 0.26 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2jmh h LYS 98 Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2jmh h LYS 98 CO -0.15 0.16 -0.07 0.82 -0.57 0.00 0.00 179.45 179.64 2jmh h ILE 99 N -0.21 0.79 -0.49 1.86 2.04 -1.00 -1.38 117.51 119.12 2jmh h ILE 99 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2jmh h ILE 99 Cb 0.20 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2jmh h ILE 99 CO 0.00 0.00 0.26 0.25 0.00 0.00 0.00 178.15 178.67 2jmh h LEU 100 N -0.07 0.40 -0.27 1.44 7.12 -0.89 -1.51 115.31 121.53 2jmh h LEU 100 Ca 0.07 0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.14 2jmh h LEU 100 Cb 0.17 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.19 2jmh h LEU 100 CO -0.16 0.28 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.35 2jmh h LEU 101 N 0.52 -0.13 0.22 2.25 3.38 -0.76 0.59 115.31 121.38 2jmh h LEU 101 Ca 0.21 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2jmh h LEU 101 Cb 0.08 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2jmh h LEU 101 CO -0.12 -0.03 -0.20 0.50 0.09 0.00 0.00 178.44 178.68 2jmh h LYS 102 N 0.07 -0.42 -0.90 1.13 3.64 -0.89 -1.03 116.57 118.17 2jmh h LYS 102 Ca 0.13 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 2jmh h LYS 102 Cb 0.17 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 2jmh h LYS 102 CO -0.23 -0.28 0.54 -0.44 -2.27 0.00 0.00 179.45 176.77 2jmh h ASP 103 N -0.44 0.79 -0.36 4.20 5.19 -0.99 -1.25 116.42 123.55 2jmh h ASP 103 Ca -0.01 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2jmh h ASP 103 Cb 0.40 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2jmh h ASP 103 CO -0.03 0.44 0.20 0.25 -3.12 0.00 0.00 179.24 176.98 2jmh h LEU 104 N 0.89 0.44 -0.79 1.55 5.85 -0.45 -0.89 115.31 121.91 2jmh h LEU 104 Ca 0.43 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2jmh h LEU 104 Cb 0.39 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2jmh h LEU 104 CO -0.25 0.39 0.50 0.11 -0.34 0.00 0.00 178.44 178.85 2jmh h LYS 105 N 0.46 1.05 -0.54 1.25 1.57 -0.37 -0.86 116.57 119.13 2jmh h LYS 105 Ca 0.13 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2jmh h LYS 105 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2jmh h LYS 105 CO -0.02 0.72 0.14 1.49 -0.57 0.00 0.00 179.45 181.21 2jmh h GLU 106 N 1.07 0.86 0.27 3.15 4.81 -0.96 -0.59 114.58 123.20 2jmh h GLU 106 Ca 0.29 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2jmh h GLU 106 Cb -0.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2jmh h GLU 106 CO -0.06 0.81 -0.13 1.79 -0.73 0.00 0.00 179.01 180.69 2jmh h THR 107 N 0.76 0.77 -0.66 0.32 1.35 -0.77 -0.89 112.91 113.79 2jmh h THR 107 Ca 0.17 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2jmh h THR 107 Cb 0.33 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 2jmh h THR 107 CO 0.00 0.06 0.43 1.05 -0.25 0.00 0.00 175.52 176.82 2jmh h GLU 108 N -0.52 0.87 -0.52 4.72 4.11 -1.14 -0.78 114.58 121.32 2jmh h GLU 108 Ca -0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 2jmh h GLU 108 Cb 0.38 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2jmh h GLU 108 CO 0.06 0.58 0.01 0.37 0.07 0.00 0.00 179.01 180.10 2jmh h GLN 109 N 0.89 0.91 -0.04 1.06 4.15 -0.92 -1.01 115.11 120.15 2jmh h GLN 109 Ca 0.24 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 109 Cb -0.10 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 2jmh h GLN 109 CO -0.05 0.93 -0.01 -0.22 -1.93 0.00 0.00 178.83 177.55 2jmh h LYS 110 N 0.78 0.08 -0.40 1.69 1.63 -0.56 0.10 116.57 119.90 2jmh h LYS 110 Ca 0.15 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 2jmh h LYS 110 Cb 0.51 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2jmh h LYS 110 CO 0.02 0.42 0.21 0.28 -3.45 0.00 0.00 179.45 176.94 2jmh h VAL 111 N -0.26 1.01 0.00 2.00 2.07 -1.14 -1.18 116.25 118.74 2jmh h VAL 111 Ca 0.01 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2jmh h VAL 111 Cb 0.39 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2jmh h VAL 111 CO 0.00 0.08 -0.46 0.07 0.02 0.00 0.00 177.57 177.28 2jmh h LYS 112 N 0.44 0.00 -0.41 1.57 2.10 -1.18 -3.06 116.57 116.02 2jmh h LYS 112 Ca 0.16 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.73 2jmh h LYS 112 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2jmh h LYS 112 CO -0.10 0.46 -0.06 0.22 -2.00 0.00 0.00 179.45 177.97 2jmh h ASP 113 N 0.00 0.77 -2.28 7.07 3.58 -0.03 -3.43 116.42 122.09 2jmh h ASP 113 Ca -0.00 -0.34 -0.58 0.00 0.42 0.00 0.00 57.03 56.52 2jmh h ASP 113 Cb 0.86 -0.21 0.05 0.00 1.72 0.00 0.00 39.33 41.75 2jmh h ASP 113 CO 0.06 0.93 0.91 -0.38 -2.88 0.00 0.00 179.24 177.87 2jmh n ILE 114 N -4.36 0.15 -3.03 2.25 -0.00 -0.52 -4.95 119.36 108.91 2jmh n ILE 114 Ca -0.01 -0.03 -0.40 0.00 -0.00 0.00 0.00 62.75 62.32 2jmh n ILE 114 Cb 0.34 -1.70 -0.05 0.00 -0.00 0.00 0.00 39.64 38.22 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 1.73 4.47 0.19 0.38 -2.07 -1.26 -5.00 119.66 118.09 2jmh s GLN 115 Ca 0.81 1.02 -0.10 0.00 -1.82 0.00 0.00 55.36 55.27 2jmh s GLN 115 Cb -0.65 -3.34 -0.01 0.00 -1.09 0.00 0.00 33.01 27.93 2jmh s GLN 115 CO 0.40 0.36 0.35 0.95 -1.32 0.00 0.00 175.29 176.03 2jmh s THR 116 N -0.31 0.04 -2.85 3.63 -4.23 -1.26 -4.92 115.64 105.73 2jmh s THR 116 Ca 0.37 -1.39 0.25 0.00 -1.18 0.00 0.00 61.69 59.74 2jmh s THR 116 Cb -0.21 -1.98 0.30 0.00 1.34 0.00 0.00 72.50 71.95 2jmh s THR 116 CO 0.23 -0.17 1.41 0.00 -0.54 0.00 0.00 174.62 175.55