#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 2.37 -0.45 -1.09 2.02 -1.26 -5.05 118.70 115.24 2jmh s GLU 2 Ca 0.00 -1.60 -0.12 0.00 0.02 0.00 0.00 54.97 53.28 2jmh s GLU 2 Cb 0.00 -3.67 0.08 0.00 0.10 0.00 0.00 34.13 30.64 2jmh s GLU 2 CO 0.00 -0.99 0.33 -1.58 0.02 0.00 0.00 175.26 173.04 2jmh s HIS 3 N 1.31 3.31 0.23 1.61 2.46 -1.26 -5.07 115.29 117.88 2jmh s HIS 3 Ca 0.04 -1.35 0.10 0.00 0.47 0.00 0.00 55.06 54.32 2jmh s HIS 3 Cb -0.23 -3.14 -0.04 0.00 -0.13 0.00 0.00 32.58 29.04 2jmh s HIS 3 CO -0.01 -0.86 -0.08 -1.59 -2.47 0.00 0.00 174.74 169.73 2jmh s LYS 4 N 1.50 2.07 0.21 2.88 -2.85 -1.26 -5.11 119.74 117.18 2jmh s LYS 4 Ca 0.04 -1.42 -0.30 0.00 -1.00 0.00 0.00 55.97 53.28 2jmh s LYS 4 Cb -0.24 -2.08 -0.09 0.00 -2.06 0.00 0.00 37.83 33.36 2jmh s LYS 4 CO 0.03 0.39 1.30 -1.25 0.10 0.00 0.00 175.35 175.92 2jmh s PRO 5 N -3.27 4.40 -0.31 1.78 0.04 -1.26 -5.02 135.00 131.36 2jmh s PRO 5 Ca 0.28 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 2jmh s PRO 5 Cb -0.07 -3.19 0.10 0.00 0.04 0.00 0.00 34.50 31.38 2jmh s PRO 5 CO 0.17 -0.23 0.08 0.21 0.04 0.00 0.00 177.00 177.27 2jmh s LYS 6 N -0.25 0.84 -0.03 4.56 2.47 -1.26 -5.11 119.74 120.95 2jmh s LYS 6 Ca 0.56 -1.14 0.04 0.00 -1.56 0.00 0.00 55.97 53.87 2jmh s LYS 6 Cb -0.36 -2.16 -0.00 0.00 -1.46 0.00 0.00 37.83 33.84 2jmh s LYS 6 CO 0.39 -0.95 -0.15 0.21 0.16 0.00 0.00 175.35 175.01 2jmh s LYS 7 N 1.53 1.50 -0.24 4.03 2.47 -1.26 -5.09 119.74 122.69 2jmh s LYS 7 Ca 0.09 -0.53 -0.36 0.00 -1.56 0.00 0.00 55.97 53.61 2jmh s LYS 7 Cb -0.17 -1.34 -0.12 0.00 -1.46 0.00 0.00 37.83 34.73 2jmh s LYS 7 CO -0.22 0.23 1.98 -3.47 0.16 0.00 0.00 175.35 174.04 2jmh n ASP 8 N 3.09 2.69 0.08 1.43 2.03 -1.26 -4.85 116.55 119.76 2jmh n ASP 8 Ca -0.17 0.76 -0.22 0.00 0.52 0.00 0.00 54.79 55.67 2jmh n ASP 8 Cb 0.54 -1.28 -0.15 0.00 -0.72 0.00 0.00 41.12 39.51 2jmh n ASP 8 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2jmh h ASP 9 N 10.15 0.59 -2.83 1.67 3.58 -2.04 -3.39 116.42 124.15 2jmh h ASP 9 Ca -0.40 -0.92 -0.77 0.00 0.42 0.00 0.00 57.03 55.36 2jmh h ASP 9 Cb 1.30 -0.19 -0.22 0.00 1.72 0.00 0.00 39.33 41.93 2jmh h ASP 9 CO 0.98 1.59 0.92 0.12 -2.88 0.00 0.00 179.24 179.96 2jmh s PHE 10 N -2.51 3.85 -0.13 0.28 5.36 -1.26 -4.80 117.98 118.77 2jmh s PHE 10 Ca -0.14 -2.37 -0.24 0.00 -0.96 0.00 0.00 56.93 53.22 2jmh s PHE 10 Cb 0.03 -4.09 -0.22 0.00 -0.34 0.00 0.00 43.02 38.40 2jmh s PHE 10 CO 0.86 -1.19 0.63 -0.09 -1.46 0.00 0.00 175.22 173.97 2jmh h ARG 11 N 6.98 0.00 -5.63 10.12 2.43 -2.00 -3.43 114.38 122.84 2jmh h ARG 11 Ca 0.25 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.90 2jmh h ARG 11 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2jmh h ARG 11 CO 1.13 0.83 1.60 0.09 -1.51 0.00 0.00 179.97 182.11 2jmh n ASN 12 N -4.64 2.11 -3.18 -3.80 3.02 -1.26 -4.83 115.26 102.69 2jmh n ASN 12 Ca -0.09 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 53.93 2jmh n ASN 12 Cb 0.40 -1.42 0.03 0.00 -0.61 0.00 0.00 39.78 38.18 2jmh n ASN 12 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2jmh n GLU 13 N 8.76 3.87 0.13 3.52 2.13 -1.26 -4.76 120.64 133.02 2jmh n GLU 13 Ca 0.41 -4.09 -0.13 0.00 0.66 0.00 0.00 57.16 54.01 2jmh n GLU 13 Cb 0.40 -2.35 -0.07 0.00 0.27 0.00 0.00 31.44 29.69 2jmh n GLU 13 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2jmh h PHE 14 N 3.45 -0.29 -0.66 4.31 0.04 -1.99 -2.08 116.94 119.71 2jmh h PHE 14 Ca 0.52 -0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.46 2jmh h PHE 14 Cb 0.21 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2jmh h PHE 14 CO 1.20 -0.18 0.47 0.38 -0.60 0.00 0.00 178.31 179.58 2jmh h ASP 15 N -0.29 0.09 -6.02 2.17 2.03 -2.01 -3.45 116.42 108.93 2jmh h ASP 15 Ca -0.02 0.01 -0.42 0.00 -0.73 0.00 0.00 57.03 55.87 2jmh h ASP 15 Cb 0.24 -0.01 0.07 0.00 -0.83 0.00 0.00 39.33 38.79 2jmh h ASP 15 CO 0.02 0.04 -0.77 1.57 -1.03 0.00 0.00 179.24 179.07 2jmh n HIS 16 N -4.38 -2.28 -2.01 4.15 -0.00 -0.78 -4.93 115.22 104.98 2jmh n HIS 16 Ca 0.13 0.92 -0.36 0.00 0.46 0.00 0.00 57.72 58.87 2jmh n HIS 16 Cb 0.67 -4.54 0.03 0.00 -0.12 0.00 0.00 29.99 26.03 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 -6.93 3.66 0.07 0.27 1.43 -1.26 -4.86 118.68 111.06 2jmh s LEU 17 Ca 0.32 2.37 -0.35 0.00 -1.03 0.00 0.00 54.13 55.44 2jmh s LEU 17 Cb -0.15 -4.60 -0.17 0.00 0.03 0.00 0.00 46.19 41.30 2jmh s LEU 17 CO 0.79 -1.59 1.53 -0.07 0.23 0.00 0.00 176.35 177.24 2jmh h LEU 18 N 0.86 -1.28 -1.55 1.79 3.38 -2.00 -1.10 115.31 115.42 2jmh h LEU 18 Ca -0.50 0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2jmh h LEU 18 Cb 1.30 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 42.41 2jmh h LEU 18 CO 0.55 -0.68 0.41 0.40 0.09 0.00 0.00 178.44 179.21 2jmh h ILE 19 N -1.05 0.96 0.36 1.22 1.08 -1.98 -0.95 117.51 117.16 2jmh h ILE 19 Ca -0.08 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2jmh h ILE 19 Cb 0.88 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2jmh h ILE 19 CO 0.01 0.10 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.05 2jmh h GLU 20 N 0.54 -0.49 -0.69 2.37 4.39 -1.81 0.23 114.58 119.13 2jmh h GLU 20 Ca 0.27 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 2jmh h GLU 20 Cb 0.38 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2jmh h GLU 20 CO -0.08 -0.32 0.20 0.37 -1.16 0.00 0.00 179.01 178.01 2jmh h GLN 21 N -0.51 1.07 -0.06 2.33 5.75 -0.73 -1.47 115.11 121.49 2jmh h GLN 21 Ca -0.05 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2jmh h GLN 21 Cb 0.39 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 2jmh h GLN 21 CO 0.07 0.92 0.02 0.00 -2.65 0.00 0.00 178.83 177.19 2jmh h ALA 22 N 1.19 0.08 -0.73 3.38 0.00 -0.97 -0.25 119.26 121.96 2jmh h ALA 22 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jmh h ALA 22 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2jmh h ALA 22 CO -0.01 -0.32 0.45 -0.91 0.00 0.00 0.00 179.25 178.46 2jmh h ASN 23 N -0.09 0.87 -0.51 0.00 2.35 -0.42 -0.56 115.58 117.23 2jmh h ASN 23 Ca 0.02 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2jmh h ASN 23 Cb 0.20 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2jmh h ASN 23 CO -0.00 0.67 0.02 -0.74 -1.65 0.00 0.00 177.43 175.73 2jmh h HIS 24 N 1.00 1.01 0.08 1.19 2.76 -1.16 0.03 115.15 120.06 2jmh h HIS 24 Ca 0.26 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2jmh h HIS 24 Cb -0.04 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.64 2jmh h HIS 24 CO -0.01 0.90 -0.04 0.00 -1.30 0.00 0.00 177.93 177.48 2jmh h ALA 25 N 1.14 -0.10 -0.25 5.26 0.00 -0.57 -1.47 119.26 123.26 2jmh h ALA 25 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jmh h ALA 25 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jmh h ALA 25 CO 0.02 -0.40 -0.08 -0.84 0.00 0.00 0.00 179.25 177.96 2jmh h ILE 26 N -0.42 1.19 0.29 0.00 3.07 -1.07 -1.35 117.51 119.23 2jmh h ILE 26 Ca -0.01 -0.83 -0.01 0.00 1.55 0.00 0.00 64.86 65.56 2jmh h ILE 26 Cb 0.36 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 2jmh h ILE 26 CO 0.02 0.27 -0.14 -0.33 -1.05 0.00 0.00 178.15 176.92 2jmh h GLU 27 N 0.38 -0.38 -0.00 0.16 4.39 -0.90 -0.93 114.58 117.29 2jmh h GLU 27 Ca 0.08 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2jmh h GLU 27 Cb 0.38 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2jmh h GLU 27 CO 0.02 -0.07 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.54 2jmh h LYS 28 N -0.72 -0.06 -0.07 2.33 3.64 -1.19 -1.47 116.57 119.03 2jmh h LYS 28 Ca -0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2jmh h LYS 28 Cb 0.49 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2jmh h LYS 28 CO 0.07 -0.04 -0.08 0.78 -2.27 0.00 0.00 179.45 177.90 2jmh h GLY 29 N -0.07 -0.02 0.50 5.01 0.00 -1.30 -1.33 103.07 105.86 2jmh h GLY 29 Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.50 2jmh h GLY 29 CO -0.04 -0.09 -0.04 -2.09 0.00 0.00 0.00 176.54 174.27 2jmh h GLU 30 N -0.11 0.03 -0.23 4.80 4.81 -1.03 -0.76 114.58 122.09 2jmh h GLU 30 Ca 0.06 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2jmh h GLU 30 Cb 0.19 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2jmh h GLU 30 CO -0.14 0.02 -0.07 1.25 -0.73 0.00 0.00 179.01 179.34 2jmh h HIS 31 N 0.03 -0.15 -0.90 0.92 2.76 -0.99 -0.09 115.15 116.73 2jmh h HIS 31 Ca 0.13 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 2jmh h HIS 31 Cb 0.19 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 2jmh h HIS 31 CO -0.25 -0.11 0.57 1.96 -1.30 0.00 0.00 177.93 178.80 2jmh h GLN 32 N -0.02 1.01 -0.24 5.26 1.08 -0.76 -1.45 115.11 119.98 2jmh h GLN 32 Ca 0.11 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2jmh h GLN 32 Cb 0.19 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2jmh h GLN 32 CO -0.25 0.67 0.08 1.25 -0.95 0.00 0.00 178.83 179.63 2jmh h LEU 33 N 1.04 0.35 -0.58 1.46 7.12 -0.34 0.27 115.31 124.63 2jmh h LEU 33 Ca 0.39 -0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.24 2jmh h LEU 33 Cb 0.15 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.15 2jmh h LEU 33 CO -0.17 0.46 0.32 -0.07 -0.13 0.00 0.00 178.44 178.85 2jmh h LEU 34 N 0.23 0.48 -0.54 2.25 3.38 -0.52 0.78 115.31 121.37 2jmh h LEU 34 Ca 0.08 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2jmh h LEU 34 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jmh h LEU 34 CO -0.00 0.33 -0.66 0.22 0.09 0.00 0.00 178.44 178.41 2jmh h TYR 35 N 0.61 0.40 -0.00 1.13 5.03 -1.14 -3.06 116.97 119.94 2jmh h TYR 35 Ca 0.25 -0.16 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 2jmh h TYR 35 Cb 0.12 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2jmh h TYR 35 CO -0.08 0.87 -0.44 -0.07 -1.32 0.00 0.00 178.16 177.12 2jmh h LEU 36 N 0.21 0.01 -0.77 2.82 3.38 0.23 -3.05 115.31 118.14 2jmh h LEU 36 Ca -0.01 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.09 2jmh h LEU 36 Cb 1.20 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2jmh h LEU 36 CO 0.11 0.45 0.33 1.56 0.09 0.00 0.00 178.44 180.98 2jmh h GLN 37 N 0.01 0.47 0.28 1.13 1.08 -0.76 -0.57 115.11 116.76 2jmh h GLN 37 Ca -0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2jmh h GLN 37 Cb 0.78 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2jmh h GLN 37 CO 0.06 0.31 -0.23 1.25 -0.95 0.00 0.00 178.83 179.28 2jmh h HIS 38 N 0.49 -0.60 -0.77 2.96 2.76 -1.67 -0.87 115.15 117.45 2jmh h HIS 38 Ca 0.42 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.68 2jmh h HIS 38 Cb 0.62 0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 2jmh h HIS 38 CO -0.15 -0.34 0.51 1.96 -1.30 0.00 0.00 177.93 178.61 2jmh h GLN 39 N -0.52 0.71 -0.32 5.26 1.08 -1.47 -1.35 115.11 118.50 2jmh h GLN 39 Ca -0.02 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2jmh h GLN 39 Cb 0.46 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2jmh h GLN 39 CO -0.02 0.47 0.06 1.25 -0.95 0.00 0.00 178.83 179.64 2jmh h LEU 40 N 0.73 0.50 -0.46 1.46 5.85 -0.58 0.28 115.31 123.10 2jmh h LEU 40 Ca 0.35 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2jmh h LEU 40 Cb 0.40 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jmh h LEU 40 CO -0.13 0.63 0.25 -0.78 -0.34 0.00 0.00 178.44 178.07 2jmh h ASP 41 N 0.35 0.58 -0.33 1.25 3.58 -0.33 0.27 116.42 121.80 2jmh h ASP 41 Ca 0.10 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2jmh h ASP 41 Cb 0.34 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2jmh h ASP 41 CO 0.01 0.51 -0.43 -0.08 -2.88 0.00 0.00 179.24 176.37 2jmh h GLU 42 N 0.61 0.89 -0.02 0.28 4.81 -1.19 -3.05 114.58 116.92 2jmh h GLU 42 Ca 0.16 -0.49 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 2jmh h GLU 42 Cb 0.06 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2jmh h GLU 42 CO -0.03 1.14 -0.48 1.25 -0.73 0.00 0.00 179.01 180.16 2jmh h LEU 43 N 0.72 0.05 -0.55 1.64 7.12 -0.21 0.82 115.31 124.89 2jmh h LEU 43 Ca 0.05 -0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.13 2jmh h LEU 43 Cb 1.02 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.06 2jmh h LEU 43 CO 0.10 0.52 0.14 0.78 -0.13 0.00 0.00 178.44 179.85 2jmh h ASN 44 N 0.04 0.06 0.03 1.25 2.35 -0.34 0.30 115.58 119.27 2jmh h ASN 44 Ca -0.00 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 2jmh h ASN 44 Cb 0.87 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2jmh h ASN 44 CO 0.07 0.05 -1.49 -0.62 -1.65 0.00 0.00 177.43 173.78 2jmh n GLU 45 N -5.09 0.62 -0.27 0.81 1.02 -1.18 -4.19 120.64 112.35 2jmh n GLU 45 Ca 0.07 0.49 0.16 0.00 -0.02 0.00 0.00 57.16 57.86 2jmh n GLU 45 Cb 0.27 -1.73 0.44 0.00 -0.02 0.00 0.00 31.44 30.40 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2jmh h ASN 46 N -0.73 0.54 -5.66 1.62 -1.24 -0.81 -3.45 115.58 105.85 2jmh h ASN 46 Ca -0.38 0.05 -0.41 0.00 0.71 0.00 0.00 56.30 56.27 2jmh h ASN 46 Cb 1.50 -0.05 -0.08 0.00 0.73 0.00 0.00 38.32 40.42 2jmh h ASN 46 CO -0.14 0.23 -0.62 0.29 -1.29 0.00 0.00 177.43 175.89 2jmh n LYS 47 N -4.57 -3.75 -2.30 6.67 4.76 0.11 -4.88 118.16 114.20 2jmh n LYS 47 Ca 0.20 0.51 -0.42 0.00 -2.87 0.00 0.00 58.31 55.72 2jmh n LYS 47 Cb 0.62 -5.25 -0.03 0.00 -1.84 0.00 0.00 35.03 28.53 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 -2.87 6.93 0.17 4.39 0.01 -1.26 -4.77 113.70 116.30 2jmh s SER 48 Ca 0.47 2.06 -0.12 0.00 1.31 0.00 0.00 55.95 59.68 2jmh s SER 48 Cb -0.25 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.49 2jmh s SER 48 CO 0.58 -0.64 1.72 0.07 0.41 0.00 0.00 173.24 175.38 2jmh h LYS 49 N 7.44 0.88 0.19 12.44 2.10 -1.94 -0.22 116.57 137.47 2jmh h LYS 49 Ca -0.38 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.09 2jmh h LYS 49 Cb 1.19 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2jmh h LYS 49 CO 0.88 0.77 -0.09 0.93 -2.00 0.00 0.00 179.45 179.93 2jmh h GLU 50 N 0.81 -0.25 -0.83 0.07 5.08 -1.99 -1.32 114.58 116.15 2jmh h GLU 50 Ca 0.19 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.67 2jmh h GLU 50 Cb 0.23 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2jmh h GLU 50 CO -0.01 0.13 0.54 1.25 -1.00 0.00 0.00 179.01 179.92 2jmh h LEU 51 N -0.70 0.71 0.40 1.33 5.85 -1.96 -0.60 115.31 120.33 2jmh h LEU 51 Ca -0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jmh h LEU 51 Cb 0.49 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 51 CO 0.04 0.42 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.76 2jmh h GLN 52 N 0.78 -0.52 -0.84 1.25 4.15 -1.00 -1.42 115.11 117.51 2jmh h GLN 52 Ca 0.39 0.04 0.18 0.00 0.77 0.00 0.00 58.65 60.03 2jmh h GLN 52 Cb 0.45 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 2jmh h GLN 52 CO -0.16 -0.21 0.56 0.93 -1.93 0.00 0.00 178.83 178.02 2jmh h GLU 53 N -0.97 0.38 0.22 1.69 5.08 -0.94 0.14 114.58 120.19 2jmh h GLU 53 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2jmh h GLU 53 Cb 0.55 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jmh h GLU 53 CO 0.09 0.25 -0.11 0.87 -1.00 0.00 0.00 179.01 179.12 2jmh h LYS 54 N 0.40 -0.29 -0.92 2.33 1.79 -1.07 -2.68 116.57 116.13 2jmh h LYS 54 Ca 0.43 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 59.02 2jmh h LYS 54 Cb 1.05 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 2jmh h LYS 54 CO -0.15 0.09 0.59 0.82 -1.08 0.00 0.00 179.45 179.73 2jmh h ILE 55 N -0.82 0.95 -0.50 1.86 2.04 -0.54 -1.24 117.51 119.26 2jmh h ILE 55 Ca -0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jmh h ILE 55 Cb 0.51 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2jmh h ILE 55 CO 0.05 0.16 0.25 0.40 0.00 0.00 0.00 178.15 179.01 2jmh h ILE 56 N 0.89 1.19 0.22 -0.67 2.04 -1.01 0.28 117.51 120.45 2jmh h ILE 56 Ca 0.44 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2jmh h ILE 56 Cb 0.46 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2jmh h ILE 56 CO -0.20 0.21 -0.10 0.03 0.00 0.00 0.00 178.15 178.08 2jmh h ARG 57 N 0.66 -0.28 -0.16 2.37 -0.00 -0.94 0.19 114.38 116.23 2jmh h ARG 57 Ca 0.17 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 2jmh h ARG 57 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2jmh h ARG 57 CO -0.02 -0.05 0.09 1.49 0.00 0.00 0.00 179.97 181.48 2jmh h GLU 58 N -0.48 0.23 -0.03 0.04 4.81 -1.20 -1.23 114.58 116.71 2jmh h GLU 58 Ca -0.03 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2jmh h GLU 58 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jmh h GLU 58 CO 0.05 0.22 -0.17 1.25 -0.73 0.00 0.00 179.01 179.62 2jmh h LEU 59 N 0.17 0.04 0.24 1.64 5.85 -0.43 -1.03 115.31 121.79 2jmh h LEU 59 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2jmh h LEU 59 Cb 0.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jmh h LEU 59 CO -0.01 0.23 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.42 2jmh h ASP 60 N 0.05 -0.27 -0.63 1.25 3.58 -0.09 -0.22 116.42 120.08 2jmh h ASP 60 Ca 0.01 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2jmh h ASP 60 Cb 0.34 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2jmh h ASP 60 CO 0.02 0.16 0.33 1.62 -2.88 0.00 0.00 179.24 178.50 2jmh h VAL 61 N -0.77 1.20 0.32 2.25 3.04 -1.12 0.73 116.25 121.91 2jmh h VAL 61 Ca -0.03 -0.55 -0.02 0.00 -1.01 0.00 0.00 66.70 65.10 2jmh h VAL 61 Cb 0.50 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2jmh h VAL 61 CO 0.05 0.23 -0.15 0.58 -1.01 0.00 0.00 177.57 177.28 2jmh h VAL 62 N 0.91 0.62 0.00 1.51 2.07 -1.20 -1.56 116.25 118.60 2jmh h VAL 62 Ca 0.23 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2jmh h VAL 62 Cb 0.06 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2jmh h VAL 62 CO -0.03 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 2jmh h ALA 64 N 1.94 -0.43 -0.39 0.00 0.00 -0.78 -0.72 119.26 118.89 2jmh h ALA 64 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jmh h ALA 64 Cb 0.14 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jmh h ALA 64 CO 0.01 -0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.03 2jmh h MET 65 N -1.04 0.52 -0.09 0.00 -0.00 -1.15 -1.27 114.93 111.90 2jmh h MET 65 Ca -0.04 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.56 2jmh h MET 65 Cb 0.45 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2jmh h MET 65 CO 0.07 0.38 -0.16 0.82 -0.00 0.00 0.00 176.91 178.03 2jmh h ILE 66 N 0.53 1.39 -0.20 -0.10 5.03 -1.15 -0.99 117.51 122.02 2jmh h ILE 66 Ca 0.14 -1.43 0.01 0.00 -0.12 0.00 0.00 64.86 63.46 2jmh h ILE 66 Cb 0.01 2.11 -0.01 0.00 -3.03 0.00 0.00 36.82 35.90 2jmh h ILE 66 CO -0.02 0.41 0.12 -0.33 -0.68 0.00 0.00 178.15 177.65 2jmh h GLU 67 N -0.18 0.25 0.05 2.37 5.08 -0.79 0.25 114.58 121.62 2jmh h GLU 67 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jmh h GLU 67 Cb 0.73 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jmh h GLU 67 CO 0.04 0.16 -0.02 0.78 -1.00 0.00 0.00 179.01 178.97 2jmh h GLY 68 N 0.26 -0.07 1.00 -3.84 0.00 -1.30 -0.80 103.07 98.31 2jmh h GLY 68 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2jmh h GLY 68 CO -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 176.54 176.31 2jmh h ALA 69 N 0.58 -0.49 -0.25 3.60 0.00 -1.11 -1.13 119.26 120.46 2jmh h ALA 69 Ca -0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 69 Cb 0.31 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2jmh h ALA 69 CO 0.01 -0.77 -0.04 0.37 0.00 0.00 0.00 179.25 178.83 2jmh h GLN 70 N -0.50 0.03 -0.07 0.00 4.15 -0.55 0.14 115.11 118.32 2jmh h GLN 70 Ca -0.05 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.40 2jmh h GLN 70 Cb 0.38 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 2jmh h GLN 70 CO 0.08 0.02 -0.13 0.78 -1.93 0.00 0.00 178.83 177.65 2jmh h GLY 71 N 0.03 -0.10 0.94 2.39 0.00 -1.03 0.24 103.07 105.54 2jmh h GLY 71 Ca 0.12 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 2jmh h GLY 71 CO -0.23 -0.13 -0.35 0.00 0.00 0.00 0.00 176.54 175.82 2jmh h ALA 72 N 0.83 -0.98 -0.24 3.60 0.00 -0.91 -0.77 119.26 120.79 2jmh h ALA 72 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jmh h ALA 72 Cb 0.28 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2jmh h ALA 72 CO -0.17 -1.01 -0.23 1.25 0.00 0.00 0.00 179.25 179.08 2jmh h LEU 73 N -1.06 -0.75 -0.56 0.00 5.85 -0.66 0.18 115.31 118.31 2jmh h LEU 73 Ca -0.10 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2jmh h LEU 73 Cb 0.77 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2jmh h LEU 73 CO 0.17 -0.27 0.20 -0.33 -0.34 0.00 0.00 178.44 177.86 2jmh h GLU 74 N -0.24 0.37 0.00 1.25 4.39 -0.50 0.72 114.58 120.57 2jmh h GLU 74 Ca 0.14 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2jmh h GLU 74 Cb 0.45 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2jmh h GLU 74 CO -0.38 0.24 -0.20 0.00 -1.16 0.00 0.00 179.01 177.51 2jmh h ARG 75 N 0.38 0.00 0.13 2.33 2.47 -0.19 -0.07 114.38 119.43 2jmh h ARG 75 Ca 0.28 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 2jmh h ARG 75 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2jmh h ARG 75 CO -0.28 0.20 -0.06 1.49 0.56 0.00 0.00 179.97 181.88 2jmh h GLU 76 N 0.00 -0.17 -0.16 0.04 4.22 0.15 -3.16 114.58 115.50 2jmh h GLU 76 Ca -0.00 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.39 2jmh h GLU 76 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2jmh h GLU 76 CO 0.03 0.30 -0.18 1.37 -2.18 0.00 0.00 179.01 178.35 2jmh h LEU 77 N -0.87 0.25 -0.58 1.64 8.10 -0.98 -1.67 115.31 121.20 2jmh h LEU 77 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2jmh h LEU 77 Cb 0.54 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2jmh h LEU 77 CO 0.03 0.44 0.00 0.29 -4.11 0.00 0.00 178.44 175.09 2jmh n LYS 78 N -4.23 0.11 0.07 0.17 4.76 -0.05 -3.31 118.16 115.69 2jmh n LYS 78 Ca -0.01 0.43 -0.15 0.00 -2.87 0.00 0.00 58.31 55.72 2jmh n LYS 78 Cb 0.31 -1.75 -0.08 0.00 -1.84 0.00 0.00 35.03 31.67 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 -0.63 -2.00 1.97 9.65 -1.26 -3.44 114.38 118.67 2jmh h ARG 79 Ca 0.00 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2jmh h ARG 79 Cb 0.22 0.14 -0.21 0.00 -1.39 0.00 0.00 29.97 28.73 2jmh h ARG 79 CO 0.00 -0.42 0.04 0.95 2.80 0.00 0.00 179.97 183.34 2jmh s THR 80 N -5.83 -0.00 -0.30 0.20 -4.23 -1.21 -5.15 115.64 99.13 2jmh s THR 80 Ca -0.16 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.13 2jmh s THR 80 Cb 0.07 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 73.10 2jmh s THR 80 CO 0.62 0.00 1.33 -0.62 -0.54 0.00 0.00 174.62 175.41 2jmh s ASP 81 N 1.39 -0.12 -0.29 3.99 2.15 -1.26 -4.99 116.67 117.54 2jmh s ASP 81 Ca -0.08 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 2jmh s ASP 81 Cb -0.05 0.49 0.18 0.00 -0.30 0.00 0.00 42.92 43.24 2jmh s ASP 81 CO -0.16 -0.04 0.56 -1.48 -0.17 0.00 0.00 175.17 173.88 2jmh s LEU 82 N 0.39 -1.22 0.00 -1.34 0.05 -1.26 -5.02 118.68 110.28 2jmh s LEU 82 Ca 0.02 0.79 0.00 0.00 0.05 0.00 0.00 54.13 54.99 2jmh s LEU 82 Cb -0.04 1.96 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 2jmh s LEU 82 CO -0.13 -0.27 0.00 0.59 -0.55 0.00 0.00 176.35 175.99 2jmh n ASN 83 N 5.42 0.00 0.39 1.48 4.13 -1.26 -4.98 115.26 120.43 2jmh n ASN 83 Ca -0.02 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.06 2jmh n ASN 83 Cb 0.51 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.66 2jmh n ASN 83 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2jmh h ILE 84 N 0.01 0.30 -0.25 2.41 5.03 -2.01 0.26 117.51 123.24 2jmh h ILE 84 Ca 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 2jmh h ILE 84 Cb 0.00 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.08 2jmh h ILE 84 CO 0.00 0.00 0.12 0.25 -0.68 0.00 0.00 178.15 177.84 2jmh h LEU 85 N -0.97 0.33 -0.74 1.44 7.12 -1.99 -1.41 115.31 119.08 2jmh h LEU 85 Ca -0.10 -0.13 0.04 0.00 0.13 0.00 0.00 57.88 57.83 2jmh h LEU 85 Cb 0.74 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.73 2jmh h LEU 85 CO 0.16 0.36 0.46 -0.33 -0.13 0.00 0.00 178.44 178.96 2jmh h GLU 86 N 0.27 0.84 -0.26 1.25 4.39 -1.93 -0.79 114.58 118.35 2jmh h GLU 86 Ca 0.09 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2jmh h GLU 86 Cb 0.12 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2jmh h GLU 86 CO -0.01 0.56 0.10 0.00 -1.16 0.00 0.00 179.01 178.49 2jmh h ARG 87 N 0.86 0.38 0.49 2.33 3.08 -0.25 0.53 114.38 121.80 2jmh h ARG 87 Ca 0.31 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2jmh h ARG 87 Cb 0.09 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2jmh h ARG 87 CO -0.14 0.42 -0.29 0.35 -1.07 0.00 0.00 179.97 179.25 2jmh h PHE 88 N 0.26 -0.75 -0.61 3.04 3.57 -0.83 0.26 116.94 121.87 2jmh h PHE 88 Ca 0.08 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2jmh h PHE 88 Cb 0.19 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 2jmh h PHE 88 CO -0.01 -0.45 0.36 -0.91 -2.23 0.00 0.00 178.31 175.08 2jmh h ASN 89 N -0.73 0.57 -0.41 0.41 4.21 -1.14 -1.56 115.58 116.92 2jmh h ASN 89 Ca -0.06 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 2jmh h ASN 89 Cb 0.59 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 2jmh h ASN 89 CO 0.07 0.39 0.21 1.88 -1.29 0.00 0.00 177.43 178.69 2jmh h TYR 90 N 0.70 0.58 0.25 1.19 -1.99 -0.69 0.10 116.97 117.12 2jmh h TYR 90 Ca 0.25 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2jmh h TYR 90 Cb 0.06 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 2jmh h TYR 90 CO -0.06 0.46 -0.24 1.49 -0.00 0.00 0.00 178.16 179.81 2jmh h GLU 91 N 0.53 -0.50 -0.72 4.88 4.81 -0.06 -1.24 114.58 122.28 2jmh h GLU 91 Ca 0.14 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2jmh h GLU 91 Cb 0.09 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2jmh h GLU 91 CO -0.02 -0.33 0.34 1.49 -0.73 0.00 0.00 179.01 179.75 2jmh h GLU 92 N -0.52 1.03 0.24 1.92 4.81 -1.22 -0.93 114.58 119.91 2jmh h GLU 92 Ca -0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2jmh h GLU 92 Cb 0.48 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 92 CO -0.05 0.80 -0.26 0.00 -0.73 0.00 0.00 179.01 178.78 2jmh h ALA 93 N 1.34 -0.53 -0.22 2.92 0.00 -0.39 0.33 119.26 122.72 2jmh h ALA 93 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jmh h ALA 93 Cb 0.12 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jmh h ALA 93 CO -0.03 -0.83 -0.17 -0.56 0.00 0.00 0.00 179.25 177.66 2jmh h GLN 94 N -0.54 0.37 0.21 0.00 3.07 -1.10 -1.45 115.11 115.67 2jmh h GLN 94 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2jmh h GLN 94 Cb 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.03 2jmh h GLN 94 CO -0.07 0.53 -0.10 1.15 0.09 0.00 0.00 178.83 180.43 2jmh h THR 95 N 0.34 0.85 -0.32 1.86 2.02 -0.68 0.15 112.91 117.13 2jmh h THR 95 Ca 0.06 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2jmh h THR 95 Cb 0.50 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2jmh h THR 95 CO 0.03 0.07 0.09 -0.07 0.37 0.00 0.00 175.52 176.01 2jmh h LEU 96 N -0.44 0.47 -0.31 2.58 3.38 -0.86 -1.77 115.31 118.36 2jmh h LEU 96 Ca -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2jmh h LEU 96 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jmh h LEU 96 CO 0.05 0.56 0.20 0.77 0.09 0.00 0.00 178.44 180.11 2jmh h SER 97 N 0.36 0.36 -0.23 -0.43 4.64 -1.24 -1.45 113.55 115.55 2jmh h SER 97 Ca 0.10 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2jmh h SER 97 Cb 0.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2jmh h SER 97 CO -0.00 0.28 0.09 0.11 -0.87 0.00 0.00 176.83 176.43 2jmh h LYS 98 N 0.41 0.20 0.33 4.77 1.57 -0.60 0.05 116.57 123.29 2jmh h LYS 98 Ca 0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jmh h LYS 98 Cb -0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jmh h LYS 98 CO -0.02 0.13 -0.30 0.82 -0.57 0.00 0.00 179.45 179.51 2jmh h ILE 99 N 0.20 0.37 -0.24 1.86 2.04 -1.10 -1.11 117.51 119.53 2jmh h ILE 99 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 2jmh h ILE 99 Cb 0.06 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2jmh h ILE 99 CO -0.09 0.00 0.17 0.17 0.00 0.00 0.00 178.15 178.40 2jmh h LEU 100 N -0.65 0.06 0.02 1.44 8.10 -1.13 -1.66 115.31 121.50 2jmh h LEU 100 Ca -0.02 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 2jmh h LEU 100 Cb 0.58 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 2jmh h LEU 100 CO -0.04 0.04 -0.01 0.25 -4.11 0.00 0.00 178.44 174.57 2jmh h LEU 101 N 0.07 -0.02 -0.05 0.17 7.12 -0.18 -0.99 115.31 121.43 2jmh h LEU 101 Ca 0.11 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2jmh h LEU 101 Cb 0.36 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2jmh h LEU 101 CO -0.01 0.32 0.03 0.50 -0.13 0.00 0.00 178.44 179.15 2jmh h LYS 102 N -0.36 0.07 -0.31 1.25 3.64 -0.64 -1.34 116.57 118.87 2jmh h LYS 102 Ca -0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2jmh h LYS 102 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2jmh h LYS 102 CO 0.00 0.07 0.12 0.22 -2.27 0.00 0.00 179.45 177.59 2jmh h ASP 103 N 0.05 0.14 -0.24 4.20 1.82 -1.35 -1.55 116.42 119.48 2jmh h ASP 103 Ca 0.02 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.73 2jmh h ASP 103 Cb 0.02 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.00 2jmh h ASP 103 CO -0.00 0.12 0.01 0.25 -1.61 0.00 0.00 179.24 178.01 2jmh h LEU 104 N 0.26 -0.06 -0.37 2.28 5.85 -0.99 -1.31 115.31 120.97 2jmh h LEU 104 Ca 0.14 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2jmh h LEU 104 Cb 0.10 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2jmh h LEU 104 CO -0.13 -0.00 0.08 0.11 -0.34 0.00 0.00 178.44 178.15 2jmh h LYS 105 N 0.09 0.20 -0.34 1.25 1.57 -0.90 -1.40 116.57 117.03 2jmh h LYS 105 Ca 0.11 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2jmh h LYS 105 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2jmh h LYS 105 CO -0.18 0.13 0.10 1.49 -0.57 0.00 0.00 179.45 180.42 2jmh h GLU 106 N 0.20 0.23 -0.01 3.15 4.22 -0.85 -1.43 114.58 120.09 2jmh h GLU 106 Ca 0.17 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.62 2jmh h GLU 106 Cb 0.20 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2jmh h GLU 106 CO -0.22 0.15 -0.15 1.79 -2.18 0.00 0.00 179.01 178.40 2jmh h THR 107 N 0.24 0.63 -0.38 0.32 1.35 -0.72 -1.41 112.91 112.93 2jmh h THR 107 Ca 0.16 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.08 2jmh h THR 107 Cb 0.14 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 67.13 2jmh h THR 107 CO -0.17 0.00 0.02 -0.08 -0.25 0.00 0.00 175.52 175.04 2jmh h GLU 108 N -0.25 0.13 -0.05 4.72 4.22 -0.98 -1.27 114.58 121.10 2jmh h GLU 108 Ca 0.05 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.52 2jmh h GLU 108 Cb 0.32 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2jmh h GLU 108 CO -0.15 0.08 -0.20 0.37 -2.18 0.00 0.00 179.01 176.93 2jmh h GLN 109 N 0.13 -0.28 -0.39 1.92 5.75 -0.89 -1.05 115.11 120.29 2jmh h GLN 109 Ca 0.19 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 2jmh h GLN 109 Cb 0.25 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.80 2jmh h GLN 109 CO -0.30 -0.19 -0.01 0.87 -2.65 0.00 0.00 178.83 176.56 2jmh h LYS 110 N -0.30 0.09 -0.68 1.69 6.56 -0.81 0.80 116.57 123.93 2jmh h LYS 110 Ca 0.07 -0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.73 2jmh h LYS 110 Cb 0.40 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.97 2jmh h LYS 110 CO -0.22 0.06 0.35 0.28 -2.06 0.00 0.00 179.45 177.86 2jmh h VAL 111 N 0.09 0.90 0.00 0.50 2.07 -0.77 -0.43 116.25 118.62 2jmh h VAL 111 Ca 0.19 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2jmh h VAL 111 Cb 0.27 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2jmh h VAL 111 CO -0.33 0.11 -0.37 0.11 0.02 0.00 0.00 177.57 177.12 2jmh h LYS 112 N 0.62 0.00 -0.20 1.57 1.57 -0.26 -3.05 116.57 116.83 2jmh h LYS 112 Ca 0.32 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 2jmh h LYS 112 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jmh h LYS 112 CO -0.23 0.37 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.46 2jmh h ASP 113 N 0.00 0.45 -2.27 0.86 3.32 0.72 -3.44 116.42 116.06 2jmh h ASP 113 Ca -0.00 -0.43 -0.58 0.00 0.02 0.00 0.00 57.03 56.04 2jmh h ASP 113 Cb 0.72 -0.12 0.04 0.00 0.22 0.00 0.00 39.33 40.18 2jmh h ASP 113 CO 0.05 0.78 0.98 -0.38 -1.72 0.00 0.00 179.24 178.95 2jmh n ILE 114 N -4.54 0.28 -3.12 0.35 -0.00 -0.57 -4.95 119.36 106.81 2jmh n ILE 114 Ca -0.05 -0.05 -0.39 0.00 -0.00 0.00 0.00 62.75 62.26 2jmh n ILE 114 Cb 0.34 -1.81 -0.05 0.00 -0.00 0.00 0.00 39.64 38.12 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 2.39 4.39 0.28 0.38 -2.07 -1.26 -4.99 119.66 118.77 2jmh s GLN 115 Ca 0.84 0.83 -0.05 0.00 -1.82 0.00 0.00 55.36 55.16 2jmh s GLN 115 Cb -0.62 -3.38 -0.01 0.00 -1.09 0.00 0.00 33.01 27.91 2jmh s GLN 115 CO 0.42 0.27 0.38 0.95 -1.32 0.00 0.00 175.29 175.99 2jmh s THR 116 N 0.11 0.00 -1.69 3.63 -4.23 -1.26 -4.94 115.64 107.26 2jmh s THR 116 Ca 0.34 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2jmh s THR 116 Cb -0.18 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2jmh s THR 116 CO 0.18 0.00 0.42 1.67 -0.54 0.00 0.00 174.62 176.36