#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 4.44 -0.03 2.61 2.02 -1.26 -5.07 118.70 121.42 2jmh s GLU 2 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 54.97 55.99 2jmh s GLU 2 Cb 0.00 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.90 2jmh s GLU 2 CO 0.00 0.36 -0.08 -3.38 0.02 0.00 0.00 175.26 172.18 2jmh s HIS 3 N -0.28 0.88 0.28 1.61 -3.43 -1.26 -5.15 115.29 107.93 2jmh s HIS 3 Ca 0.36 -0.23 0.10 0.00 -0.80 0.00 0.00 55.06 54.49 2jmh s HIS 3 Cb -0.20 -0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 30.25 2jmh s HIS 3 CO 0.22 -0.12 -0.00 0.15 -2.00 0.00 0.00 174.74 172.98 2jmh s LYS 4 N 0.35 2.26 0.90 -0.38 1.02 -1.26 -5.13 119.74 117.50 2jmh s LYS 4 Ca -0.05 -1.46 -0.12 0.00 0.02 0.00 0.00 55.97 54.36 2jmh s LYS 4 Cb -0.10 -2.13 0.13 0.00 -0.52 0.00 0.00 37.83 35.22 2jmh s LYS 4 CO 0.01 0.33 1.09 -1.25 -0.92 0.00 0.00 175.35 174.61 2jmh s PRO 5 N -3.68 1.21 -0.53 -1.68 0.04 -1.26 -5.03 135.00 124.07 2jmh s PRO 5 Ca 0.32 0.81 0.06 0.00 0.04 0.00 0.00 61.00 62.23 2jmh s PRO 5 Cb -0.06 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.89 2jmh s PRO 5 CO 0.20 -2.27 0.54 0.36 0.04 0.00 0.00 177.00 175.87 2jmh n LYS 6 N -3.90 1.32 -5.16 4.56 0.00 -1.26 -5.07 118.16 108.65 2jmh n LYS 6 Ca 0.07 -3.87 -0.32 0.00 -0.00 0.00 0.00 58.31 54.19 2jmh n LYS 6 Cb 0.55 -1.82 -0.17 0.00 -0.00 0.00 0.00 35.03 33.60 2jmh n LYS 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2jmh s LYS 7 N -1.33 3.06 -1.54 -1.58 2.47 -1.26 -4.64 119.74 114.92 2jmh s LYS 7 Ca 0.34 -0.85 -0.01 0.00 -1.56 0.00 0.00 55.97 53.89 2jmh s LYS 7 Cb 0.09 -2.34 0.00 0.00 -1.46 0.00 0.00 37.83 34.13 2jmh s LYS 7 CO -0.11 0.20 0.08 -3.47 0.16 0.00 0.00 175.35 172.20 2jmh n ASP 8 N 3.47 -5.37 0.08 1.43 2.03 -1.26 -4.92 116.55 112.01 2jmh n ASP 8 Ca -0.19 -0.05 -0.10 0.00 0.52 0.00 0.00 54.79 54.97 2jmh n ASP 8 Cb 0.53 -4.40 -0.06 0.00 -0.72 0.00 0.00 41.12 36.46 2jmh n ASP 8 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2jmh h ASP 9 N -0.17 -0.24 -2.19 1.67 3.32 -1.98 -3.46 116.42 113.37 2jmh h ASP 9 Ca -0.44 -0.25 -0.45 0.00 0.02 0.00 0.00 57.03 55.91 2jmh h ASP 9 Cb 1.32 0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.95 2jmh h ASP 9 CO 0.51 0.29 -0.26 -0.36 -1.72 0.00 0.00 179.24 177.70 2jmh s PHE 10 N -3.29 3.19 0.02 4.55 0.40 -1.26 -5.05 117.98 116.54 2jmh s PHE 10 Ca -0.11 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 2jmh s PHE 10 Cb 0.00 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2jmh s PHE 10 CO 0.40 -0.09 0.00 0.54 0.70 0.00 0.00 175.22 176.77 2jmh n ARG 11 N -1.78 0.00 -3.58 0.44 5.12 -1.26 -5.16 116.66 110.44 2jmh n ARG 11 Ca -0.01 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 2jmh n ARG 11 Cb 0.58 -0.01 -0.04 0.00 -1.16 0.00 0.00 32.46 31.83 2jmh n ARG 11 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jmh s ASN 12 N -4.25 -0.28 0.37 0.55 4.22 -1.26 -5.19 114.94 109.10 2jmh s ASN 12 Ca 0.00 0.24 -0.12 0.00 -2.14 0.00 0.00 52.86 50.84 2jmh s ASN 12 Cb 0.00 0.24 0.04 0.00 1.28 0.00 0.00 41.25 42.81 2jmh s ASN 12 CO 0.00 -0.31 0.69 -1.83 -2.04 0.00 0.00 177.10 173.61 2jmh s GLU 13 N -1.49 2.11 -0.01 3.55 1.03 -1.26 -5.18 118.70 117.46 2jmh s GLU 13 Ca 0.02 -1.51 0.03 0.00 0.03 0.00 0.00 54.97 53.54 2jmh s GLU 13 Cb -0.01 0.57 -0.01 0.00 -0.80 0.00 0.00 34.13 33.89 2jmh s GLU 13 CO -0.02 -0.95 -0.10 -0.06 -1.33 0.00 0.00 175.26 172.80 2jmh s PHE 14 N -2.64 0.88 0.44 4.83 0.40 -1.26 -5.03 117.98 115.60 2jmh s PHE 14 Ca 0.20 -0.17 0.13 0.00 -0.60 0.00 0.00 56.93 56.49 2jmh s PHE 14 Cb -0.04 -0.57 0.96 0.00 0.51 0.00 0.00 43.02 43.88 2jmh s PHE 14 CO 0.14 -0.02 1.98 -0.44 0.70 0.00 0.00 175.22 177.58 2jmh h ASP 15 N 5.93 0.06 -0.79 1.36 3.32 -2.04 -1.85 116.42 122.42 2jmh h ASP 15 Ca -0.31 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.36 2jmh h ASP 15 Cb 1.18 -0.02 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 2jmh h ASP 15 CO 0.49 0.22 0.46 1.57 -1.72 0.00 0.00 179.24 180.27 2jmh n HIS 16 N -4.33 2.47 -3.22 4.55 -0.00 -1.26 -4.86 115.22 108.57 2jmh n HIS 16 Ca -0.02 -1.47 -0.44 0.00 0.46 0.00 0.00 57.72 56.25 2jmh n HIS 16 Cb 0.24 -0.78 -0.06 0.00 -0.12 0.00 0.00 29.99 29.27 2jmh n HIS 16 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2jmh s LEU 17 N -2.72 5.37 0.10 0.27 2.96 -0.70 -4.96 118.68 119.01 2jmh s LEU 17 Ca 0.48 -1.25 -0.34 0.00 -0.22 0.00 0.00 54.13 52.80 2jmh s LEU 17 Cb 0.40 -2.32 -0.14 0.00 0.50 0.00 0.00 46.19 44.63 2jmh s LEU 17 CO 0.10 -0.89 1.54 -0.07 -1.32 0.00 0.00 176.35 175.72 2jmh h LEU 18 N 9.45 -1.57 -1.30 -0.68 3.38 -1.89 -0.60 115.31 122.09 2jmh h LEU 18 Ca -0.28 0.17 0.31 0.00 0.09 0.00 0.00 57.88 58.16 2jmh h LEU 18 Cb 1.10 0.58 -0.11 0.00 0.09 0.00 0.00 40.66 42.32 2jmh h LEU 18 CO 0.99 -0.55 0.69 0.40 0.09 0.00 0.00 178.44 180.06 2jmh h ILE 19 N -0.74 0.41 0.31 1.22 1.08 -1.98 0.13 117.51 117.94 2jmh h ILE 19 Ca -0.01 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 2jmh h ILE 19 Cb 0.74 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 2jmh h ILE 19 CO -0.29 0.06 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.00 2jmh h GLU 20 N 0.33 -0.41 0.00 2.37 4.57 -1.50 -1.43 114.58 118.51 2jmh h GLU 20 Ca 0.67 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.85 2jmh h GLU 20 Cb 1.74 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.42 2jmh h GLU 20 CO -0.37 -0.15 -0.11 0.37 -1.18 0.00 0.00 179.01 177.56 2jmh h GLN 21 N -0.62 0.00 -0.03 1.92 5.75 -0.08 -1.64 115.11 120.41 2jmh h GLN 21 Ca -0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2jmh h GLN 21 Cb 0.44 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 2jmh h GLN 21 CO 0.07 0.11 -0.02 0.00 -2.65 0.00 0.00 178.83 176.34 2jmh h ALA 22 N 1.89 0.05 -0.72 3.38 0.00 -0.61 -0.79 119.26 122.45 2jmh h ALA 22 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2jmh h ALA 22 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jmh h ALA 22 CO 0.01 -0.20 0.21 -0.91 0.00 0.00 0.00 179.25 178.36 2jmh h ASN 23 N -0.36 1.07 -0.37 0.00 2.35 -0.98 -1.21 115.58 116.08 2jmh h ASN 23 Ca 0.01 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 2jmh h ASN 23 Cb 0.48 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2jmh h ASN 23 CO 0.01 1.01 0.01 -0.74 -1.65 0.00 0.00 177.43 176.06 2jmh h HIS 24 N 1.08 0.70 0.10 1.19 2.76 -1.32 0.16 115.15 119.82 2jmh h HIS 24 Ca 0.23 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jmh h HIS 24 Cb 0.33 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2jmh h HIS 24 CO 0.03 0.73 -0.05 0.00 -1.30 0.00 0.00 177.93 177.34 2jmh h ALA 25 N 0.88 -0.14 -0.15 5.26 0.00 -0.97 -1.55 119.26 122.59 2jmh h ALA 25 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jmh h ALA 25 Cb 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jmh h ALA 25 CO 0.02 -0.52 -0.13 -0.84 0.00 0.00 0.00 179.25 177.77 2jmh h ILE 26 N -0.26 1.18 0.57 0.00 3.07 -1.22 -1.30 117.51 119.55 2jmh h ILE 26 Ca -0.01 -0.79 -0.03 0.00 1.55 0.00 0.00 64.86 65.58 2jmh h ILE 26 Cb 0.21 1.22 0.01 0.00 -0.27 0.00 0.00 36.82 37.98 2jmh h ILE 26 CO 0.02 0.25 -0.27 -0.33 -1.05 0.00 0.00 178.15 176.76 2jmh h GLU 27 N 0.22 -0.74 -0.38 0.16 5.08 -0.69 0.11 114.58 118.35 2jmh h GLU 27 Ca 0.05 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jmh h GLU 27 Cb 0.38 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2jmh h GLU 27 CO 0.02 -0.43 0.23 -0.22 -1.00 0.00 0.00 179.01 177.62 2jmh h LYS 28 N -1.02 0.46 -0.32 2.33 3.64 -1.23 -1.25 116.57 119.19 2jmh h LYS 28 Ca -0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2jmh h LYS 28 Cb 0.65 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2jmh h LYS 28 CO 0.13 0.31 0.00 0.78 -2.27 0.00 0.00 179.45 178.40 2jmh h GLY 29 N 0.48 0.53 1.05 5.01 0.00 -1.26 -1.42 103.07 107.46 2jmh h GLY 29 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 2jmh h GLY 29 CO -0.06 0.29 -0.29 -2.09 0.00 0.00 0.00 176.54 174.39 2jmh h GLU 30 N 0.48 0.85 0.23 4.80 4.81 -0.24 -0.62 114.58 124.89 2jmh h GLU 30 Ca 0.10 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2jmh h GLU 30 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2jmh h GLU 30 CO 0.01 1.06 -0.11 0.45 -0.73 0.00 0.00 179.01 179.69 2jmh h HIS 31 N 0.65 -0.29 -0.78 0.92 3.86 -0.98 -0.97 115.15 117.57 2jmh h HIS 31 Ca 0.07 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2jmh h HIS 31 Cb 0.87 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 2jmh h HIS 31 CO 0.06 0.05 0.48 -0.56 0.86 0.00 0.00 177.93 178.82 2jmh h GLN 32 N -0.66 1.05 -0.16 2.45 -0.00 -1.33 -1.64 115.11 114.82 2jmh h GLN 32 Ca -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 2jmh h GLN 32 Cb 0.47 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.48 27.72 2jmh h GLN 32 CO 0.05 0.73 0.02 1.25 -0.00 0.00 0.00 178.83 180.88 2jmh h LEU 33 N 1.07 0.26 -0.68 0.06 7.12 -1.07 0.17 115.31 122.24 2jmh h LEU 33 Ca 0.28 -0.27 0.02 0.00 0.13 0.00 0.00 57.88 58.05 2jmh h LEU 33 Cb -0.06 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 39.96 2jmh h LEU 33 CO -0.05 0.47 0.43 -0.07 -0.13 0.00 0.00 178.44 179.08 2jmh h LEU 34 N 0.05 0.72 -0.54 2.25 3.38 -0.85 0.63 115.31 120.95 2jmh h LEU 34 Ca 0.05 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2jmh h LEU 34 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jmh h LEU 34 CO 0.00 0.50 -0.58 0.22 0.09 0.00 0.00 178.44 178.68 2jmh h TYR 35 N 0.86 0.59 -0.02 1.13 3.20 -1.21 -3.04 116.97 118.48 2jmh h TYR 35 Ca 0.27 -0.22 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 2jmh h TYR 35 Cb -0.01 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2jmh h TYR 35 CO -0.04 0.93 -0.45 1.25 -1.64 0.00 0.00 178.16 178.21 2jmh h LEU 36 N 0.35 0.05 -1.35 2.82 6.46 -0.08 -2.97 115.31 120.59 2jmh h LEU 36 Ca 0.00 -0.02 0.20 0.00 -0.12 0.00 0.00 57.88 57.94 2jmh h LEU 36 Cb 1.11 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 2jmh h LEU 36 CO 0.10 0.50 0.61 1.56 -0.62 0.00 0.00 178.44 180.59 2jmh h GLN 37 N 0.04 0.51 0.10 1.25 4.20 -0.76 -1.12 115.11 119.34 2jmh h GLN 37 Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jmh h GLN 37 Cb 0.82 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2jmh h GLN 37 CO 0.06 0.34 -0.05 0.45 -0.67 0.00 0.00 178.83 178.96 2jmh h HIS 38 N 0.53 -0.13 -0.74 2.96 3.86 -1.65 -1.11 115.15 118.88 2jmh h HIS 38 Ca 0.51 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.78 2jmh h HIS 38 Cb 1.08 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.54 2jmh h HIS 38 CO -0.00 0.11 0.42 1.96 0.86 0.00 0.00 177.93 181.28 2jmh h GLN 39 N -0.36 0.73 0.11 2.45 1.08 -1.36 -1.16 115.11 116.58 2jmh h GLN 39 Ca -0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2jmh h GLN 39 Cb 0.30 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2jmh h GLN 39 CO 0.02 0.48 -0.05 1.25 -0.95 0.00 0.00 178.83 179.58 2jmh h LEU 40 N 0.75 -0.12 -0.89 1.46 7.12 -1.19 0.20 115.31 122.65 2jmh h LEU 40 Ca 0.34 -0.12 0.12 0.00 0.13 0.00 0.00 57.88 58.35 2jmh h LEU 40 Cb 0.24 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.32 2jmh h LEU 40 CO -0.20 0.05 0.51 -0.78 -0.13 0.00 0.00 178.44 177.89 2jmh h ASP 41 N -0.28 0.71 0.85 1.25 3.58 -0.80 0.27 116.42 121.99 2jmh h ASP 41 Ca -0.01 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2jmh h ASP 41 Cb 0.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2jmh h ASP 41 CO 0.02 0.36 -0.67 -0.08 -2.88 0.00 0.00 179.24 176.00 2jmh h GLU 42 N 0.80 0.00 -0.12 0.28 4.81 -1.02 -3.15 114.58 116.17 2jmh h GLU 42 Ca 0.45 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.55 2jmh h GLU 42 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2jmh h GLU 42 CO -0.29 0.67 -0.49 1.25 -0.73 0.00 0.00 179.01 179.42 2jmh h LEU 43 N 0.00 0.34 -0.85 1.64 5.85 0.13 0.24 115.31 122.66 2jmh h LEU 43 Ca -0.01 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2jmh h LEU 43 Cb 1.28 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 2jmh h LEU 43 CO 0.09 0.78 0.51 0.78 -0.34 0.00 0.00 178.44 180.26 2jmh h ASN 44 N 0.25 0.78 0.03 1.25 -0.26 -1.01 0.33 115.58 116.95 2jmh h ASN 44 Ca 0.01 0.03 -0.27 0.00 -0.56 0.00 0.00 56.30 55.51 2jmh h ASN 44 Cb 0.96 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.06 2jmh h ASN 44 CO 0.08 0.47 -1.49 -0.62 -1.06 0.00 0.00 177.43 174.81 2jmh n GLU 45 N -4.67 0.62 -0.22 0.81 1.02 -1.17 -4.21 120.64 112.82 2jmh n GLU 45 Ca 0.13 0.49 0.11 0.00 -0.02 0.00 0.00 57.16 57.87 2jmh n GLU 45 Cb 0.23 -1.73 0.39 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.61 -4.86 1.62 -1.24 -0.49 -3.45 115.58 107.03 2jmh h ASN 46 Ca -0.38 0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.31 2jmh h ASN 46 Cb 1.50 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 40.41 2jmh h ASN 46 CO -0.14 0.34 -0.50 0.29 -1.29 0.00 0.00 177.43 176.13 2jmh n LYS 47 N -4.52 -3.31 -2.43 6.67 4.76 0.11 -4.88 118.16 114.57 2jmh n LYS 47 Ca 0.14 0.57 -0.43 0.00 -2.87 0.00 0.00 58.31 55.73 2jmh n LYS 47 Cb 0.40 -5.27 -0.02 0.00 -1.84 0.00 0.00 35.03 28.29 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 -2.53 6.97 0.28 4.39 0.15 -1.26 -4.75 113.70 116.95 2jmh s SER 48 Ca 0.28 1.74 -0.03 0.00 0.70 0.00 0.00 55.95 58.64 2jmh s SER 48 Cb -0.14 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.02 2jmh s SER 48 CO 0.34 -0.71 1.94 0.07 1.20 0.00 0.00 173.24 176.07 2jmh h LYS 49 N 8.00 1.15 0.17 5.44 2.10 -1.92 -0.93 116.57 130.58 2jmh h LYS 49 Ca -0.29 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 2jmh h LYS 49 Cb 1.12 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2jmh h LYS 49 CO 0.94 0.76 -0.08 0.93 -2.00 0.00 0.00 179.45 180.01 2jmh h GLU 50 N 1.19 -0.22 -0.96 0.07 5.08 -1.97 -1.25 114.58 116.52 2jmh h GLU 50 Ca 0.36 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.87 2jmh h GLU 50 Cb -0.04 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 2jmh h GLU 50 CO -0.10 0.17 0.61 1.25 -1.00 0.00 0.00 179.01 179.94 2jmh h LEU 51 N -0.68 0.79 0.32 1.33 5.85 -1.92 -0.30 115.31 120.71 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 0.49 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jmh h LEU 51 CO 0.04 0.39 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.77 2jmh h GLN 52 N 0.84 -0.42 -0.79 1.25 -0.00 -1.15 -1.47 115.11 113.37 2jmh h GLN 52 Ca 0.49 0.03 0.21 0.00 -0.00 0.00 0.00 58.65 59.38 2jmh h GLN 52 Cb 0.65 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 28.18 2jmh h GLN 52 CO -0.26 -0.09 0.55 0.93 0.00 0.00 0.00 178.83 179.97 2jmh h GLU 53 N -0.90 0.15 0.03 1.69 5.08 -0.80 0.55 114.58 120.37 2jmh h GLU 53 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jmh h GLU 53 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 53 CO 0.07 0.10 -0.02 0.87 -1.00 0.00 0.00 179.01 179.03 2jmh h LYS 54 N 0.15 -0.04 -0.83 2.33 1.79 -1.00 -3.09 116.57 115.88 2jmh h LYS 54 Ca 0.39 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.91 2jmh h LYS 54 Cb 1.31 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.92 2jmh h LYS 54 CO -0.06 0.61 0.54 0.82 -1.08 0.00 0.00 179.45 180.28 2jmh h ILE 55 N -0.77 1.10 -0.13 1.86 2.04 -0.24 -1.38 117.51 120.00 2jmh h ILE 55 Ca -0.00 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2jmh h ILE 55 Cb 0.67 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2jmh h ILE 55 CO 0.01 0.18 0.02 0.40 0.00 0.00 0.00 178.15 178.76 2jmh h ILE 56 N 0.98 0.94 0.20 -0.67 1.08 -1.00 0.27 117.51 119.31 2jmh h ILE 56 Ca 0.34 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.78 2jmh h ILE 56 Cb 0.11 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2jmh h ILE 56 CO -0.11 0.01 -0.09 0.03 -0.69 0.00 0.00 178.15 177.30 2jmh h ARG 57 N 0.07 -0.25 -0.02 2.37 -0.00 -1.35 0.21 114.38 115.41 2jmh h ARG 57 Ca 0.06 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.58 2jmh h ARG 57 Cb 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.05 2jmh h ARG 57 CO -0.08 -0.02 -0.15 0.93 0.00 0.00 0.00 179.97 180.65 2jmh h GLU 58 N -0.45 -0.23 -0.02 0.04 5.08 -1.16 -0.41 114.58 117.42 2jmh h GLU 58 Ca -0.03 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2jmh h GLU 58 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jmh h GLU 58 CO 0.04 -0.15 -0.21 1.25 -1.00 0.00 0.00 179.01 178.94 2jmh h LEU 59 N -0.24 0.03 0.37 1.33 6.46 -0.45 -0.97 115.31 121.84 2jmh h LEU 59 Ca 0.06 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2jmh h LEU 59 Cb 0.31 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2jmh h LEU 59 CO -0.16 0.25 -0.18 -0.78 -0.62 0.00 0.00 178.44 176.95 2jmh h ASP 60 N 0.03 -0.42 -0.69 1.25 3.58 0.38 0.28 116.42 120.83 2jmh h ASP 60 Ca 0.00 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 2jmh h ASP 60 Cb 0.40 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2jmh h ASP 60 CO 0.03 -0.09 0.22 -0.37 -2.88 0.00 0.00 179.24 176.15 2jmh h VAL 61 N -0.78 1.26 0.39 2.25 -1.51 -1.00 0.48 116.25 117.33 2jmh h VAL 61 Ca -0.05 -0.89 -0.02 0.00 -1.23 0.00 0.00 66.70 64.51 2jmh h VAL 61 Cb 0.52 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 2jmh h VAL 61 CO 0.08 0.35 -0.19 0.58 -1.23 0.00 0.00 177.57 177.16 2jmh h VAL 62 N 1.05 0.50 0.00 7.19 2.07 -1.17 -1.56 116.25 124.32 2jmh h VAL 62 Ca 0.23 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2jmh h VAL 62 Cb 0.30 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2jmh h VAL 62 CO -0.01 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 2jmh h ALA 64 N 1.96 -0.52 -0.27 0.00 0.00 -0.82 0.42 119.26 120.03 2jmh h ALA 64 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jmh h ALA 64 Cb 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jmh h ALA 64 CO 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 179.25 178.84 2jmh h MET 65 N -1.07 0.38 -0.05 0.00 -0.00 -1.12 -1.43 114.93 111.65 2jmh h MET 65 Ca -0.05 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.54 2jmh h MET 65 Cb 0.49 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 2jmh h MET 65 CO 0.09 0.32 -0.21 0.82 -0.00 0.00 0.00 176.91 177.93 2jmh h ILE 66 N 0.38 1.45 -0.34 -0.10 5.03 -1.06 -0.68 117.51 122.19 2jmh h ILE 66 Ca 0.10 -1.64 0.02 0.00 -0.12 0.00 0.00 64.86 63.22 2jmh h ILE 66 Cb 0.08 2.38 -0.02 0.00 -3.03 0.00 0.00 36.82 36.22 2jmh h ILE 66 CO -0.01 0.46 0.18 -0.33 -0.68 0.00 0.00 178.15 177.77 2jmh h GLU 67 N -0.30 0.37 -0.08 2.37 4.39 -0.62 0.29 114.58 120.99 2jmh h GLU 67 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2jmh h GLU 67 Cb 0.85 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2jmh h GLU 67 CO 0.04 0.24 -0.07 0.78 -1.16 0.00 0.00 179.01 178.85 2jmh h GLY 68 N 0.38 0.20 0.97 -3.84 0.00 -1.34 -0.29 103.07 99.14 2jmh h GLY 68 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2jmh h GLY 68 CO -0.08 0.18 -0.19 0.00 0.00 0.00 0.00 176.54 176.45 2jmh h ALA 69 N 0.58 -0.52 -0.31 3.60 0.00 -1.01 -0.50 119.26 121.09 2jmh h ALA 69 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jmh h ALA 69 Cb 0.56 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jmh h ALA 69 CO 0.02 -0.78 0.19 0.37 0.00 0.00 0.00 179.25 179.06 2jmh h GLN 70 N -0.56 0.42 0.03 0.00 -0.00 -0.51 0.26 115.11 114.76 2jmh h GLN 70 Ca -0.05 -0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.58 2jmh h GLN 70 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 2jmh h GLN 70 CO 0.09 0.31 -0.15 0.78 0.00 0.00 0.00 178.83 179.86 2jmh h GLY 71 N 0.41 -0.23 1.56 2.39 0.00 -0.96 0.21 103.07 106.45 2jmh h GLY 71 Ca 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.52 2jmh h GLY 71 CO -0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 176.54 176.10 2jmh h ALA 72 N 0.64 1.05 0.37 3.60 0.00 -0.98 -1.11 119.26 122.83 2jmh h ALA 72 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jmh h ALA 72 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jmh h ALA 72 CO -0.13 0.58 -0.18 1.25 0.00 0.00 0.00 179.25 180.77 2jmh h LEU 73 N 0.45 -0.42 -1.09 0.00 5.85 -0.05 0.12 115.31 120.17 2jmh h LEU 73 Ca 0.06 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2jmh h LEU 73 Cb 0.71 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2jmh h LEU 73 CO 0.05 -0.11 0.28 1.05 -0.34 0.00 0.00 178.44 179.38 2jmh h GLU 74 N -0.75 0.93 0.00 1.25 4.11 -0.61 0.13 114.58 119.64 2jmh h GLU 74 Ca -0.05 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 59.13 2jmh h GLU 74 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 74 CO 0.08 0.74 -0.52 -0.09 0.07 0.00 0.00 179.01 179.29 2jmh h ARG 75 N 0.92 0.00 0.03 1.06 9.65 -1.14 0.68 114.38 125.58 2jmh h ARG 75 Ca 0.22 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.00 2jmh h ARG 75 Cb 0.14 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2jmh h ARG 75 CO -0.02 0.52 -0.42 1.49 2.80 0.00 0.00 179.97 184.34 2jmh h GLU 76 N 0.00 0.22 0.00 0.20 4.81 -0.05 -3.30 114.58 116.47 2jmh h GLU 76 Ca -0.01 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 2jmh h GLU 76 Cb 0.93 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2jmh h GLU 76 CO 0.07 1.05 -0.38 1.37 -0.73 0.00 0.00 179.01 180.39 2jmh h LEU 77 N -0.47 0.00 -2.61 1.64 8.10 -1.00 -2.90 115.31 118.08 2jmh h LEU 77 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.93 2jmh h LEU 77 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2jmh h LEU 77 CO 0.08 0.38 0.01 0.11 -4.11 0.00 0.00 178.44 174.90 2jmh h LYS 78 N 0.00 0.00 0.00 0.17 1.79 -0.93 0.62 116.57 118.22 2jmh h LYS 78 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2jmh h LYS 78 Cb 0.92 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2jmh h LYS 78 CO 0.05 0.00 -0.47 -0.09 -1.08 0.00 0.00 179.45 177.86 2jmh h ARG 79 N 0.00 0.00 -6.64 3.15 1.12 -1.63 -3.46 114.38 106.92 2jmh h ARG 79 Ca 0.00 0.00 -0.46 0.00 -1.11 0.00 0.00 59.98 58.41 2jmh h ARG 79 Cb 0.02 0.00 0.24 0.00 -0.01 0.00 0.00 29.97 30.21 2jmh h ARG 79 CO 0.00 0.46 -1.18 0.25 -3.11 0.00 0.00 179.97 176.39 2jmh n THR 80 N -3.21 0.00 -1.63 0.20 -2.24 0.21 -5.00 114.28 102.61 2jmh n THR 80 Ca 0.02 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 2jmh n THR 80 Cb 0.72 -0.58 0.12 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.44 0.11 -4.94 3.42 2.03 -1.26 -5.08 116.55 109.39 2jmh n ASP 81 Ca 0.00 -1.32 -0.25 0.00 0.52 0.00 0.00 54.79 53.74 2jmh n ASP 81 Cb 0.63 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 4.16 -0.29 -2.67 0.20 -1.26 -4.97 118.68 113.85 2jmh s LEU 82 Ca 0.47 0.36 -0.33 0.00 0.69 0.00 0.00 54.13 55.32 2jmh s LEU 82 Cb -0.01 -3.17 0.18 0.00 -0.43 0.00 0.00 46.19 42.75 2jmh s LEU 82 CO 0.33 -0.15 1.39 0.20 -0.29 0.00 0.00 176.35 177.82 2jmh s ASN 83 N -3.68 -0.01 0.06 3.68 -0.87 -1.26 -4.99 114.94 107.87 2jmh s ASN 83 Ca 0.38 0.01 -0.33 0.00 -1.57 0.00 0.00 52.86 51.35 2jmh s ASN 83 Cb -0.10 0.01 -0.19 0.00 -0.02 0.00 0.00 41.25 40.95 2jmh s ASN 83 CO 0.32 -0.01 1.56 0.40 -2.57 0.00 0.00 177.10 176.79 2jmh h ILE 84 N 2.01 0.27 -0.11 0.60 2.04 -1.99 0.27 117.51 120.59 2jmh h ILE 84 Ca -0.05 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jmh h ILE 84 Cb 1.16 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2jmh h ILE 84 CO 0.20 0.01 0.06 0.25 0.00 0.00 0.00 178.15 178.66 2jmh h LEU 85 N -1.02 0.15 -0.66 1.44 6.46 -1.99 -1.48 115.31 118.21 2jmh h LEU 85 Ca -0.10 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 2jmh h LEU 85 Cb 0.76 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 2jmh h LEU 85 CO 0.16 0.22 0.38 -0.33 -0.62 0.00 0.00 178.44 178.25 2jmh h GLU 86 N 0.06 0.68 -0.35 1.25 4.39 -1.94 -1.25 114.58 117.44 2jmh h GLU 86 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2jmh h GLU 86 Cb 0.11 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2jmh h GLU 86 CO -0.01 0.45 0.19 0.00 -1.16 0.00 0.00 179.01 178.49 2jmh h ARG 87 N 0.70 0.48 0.44 2.33 2.47 -0.27 0.21 114.38 120.74 2jmh h ARG 87 Ca 0.29 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2jmh h ARG 87 Cb 0.16 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2jmh h ARG 87 CO -0.17 0.40 -0.30 0.35 0.56 0.00 0.00 179.97 180.81 2jmh h PHE 88 N 0.44 -0.80 -0.75 3.04 3.57 -0.75 0.28 116.94 121.97 2jmh h PHE 88 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jmh h PHE 88 Cb 0.06 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2jmh h PHE 88 CO -0.03 -0.45 0.46 -0.91 -2.23 0.00 0.00 178.31 175.14 2jmh h ASN 89 N -0.72 0.90 -0.55 0.41 4.21 -1.18 -1.66 115.58 116.99 2jmh h ASN 89 Ca -0.04 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.39 2jmh h ASN 89 Cb 0.60 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 2jmh h ASN 89 CO 0.02 0.69 0.27 1.88 -1.29 0.00 0.00 177.43 179.01 2jmh h TYR 90 N 1.02 0.78 0.45 1.19 -1.99 -0.34 0.21 116.97 118.29 2jmh h TYR 90 Ca 0.27 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 2jmh h TYR 90 Cb -0.04 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.45 2jmh h TYR 90 CO -0.01 0.59 -0.21 1.49 -0.00 0.00 0.00 178.16 180.02 2jmh h GLU 91 N 0.73 -0.58 -0.04 4.88 4.81 -0.10 -1.00 114.58 123.29 2jmh h GLU 91 Ca 0.19 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2jmh h GLU 91 Cb 0.10 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2jmh h GLU 91 CO -0.03 -0.36 0.02 1.49 -0.73 0.00 0.00 179.01 179.41 2jmh h GLU 92 N -0.65 0.05 -0.49 1.92 4.81 -1.24 -0.49 114.58 118.49 2jmh h GLU 92 Ca -0.06 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2jmh h GLU 92 Cb 0.49 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 2jmh h GLU 92 CO 0.10 0.09 -0.03 0.00 -0.73 0.00 0.00 179.01 178.44 2jmh h ALA 93 N 0.96 0.43 -0.31 2.92 0.00 -0.54 -0.22 119.26 122.50 2jmh h ALA 93 Ca 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2jmh h ALA 93 Cb 0.05 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jmh h ALA 93 CO -0.00 -0.40 -0.15 1.96 0.00 0.00 0.00 179.25 180.65 2jmh h GLN 94 N 0.08 0.55 0.24 0.00 1.08 -1.00 -1.47 115.11 114.59 2jmh h GLN 94 Ca 0.24 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2jmh h GLN 94 Cb 0.37 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2jmh h GLN 94 CO -0.43 0.69 -0.12 1.15 -0.95 0.00 0.00 178.83 179.17 2jmh h THR 95 N 0.51 0.75 -0.36 -0.54 2.02 0.61 0.24 112.91 116.14 2jmh h THR 95 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 2jmh h THR 95 Cb 0.55 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2jmh h THR 95 CO 0.04 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.87 2jmh h LEU 96 N -0.33 0.61 -0.51 2.58 3.38 -1.16 -1.79 115.31 118.09 2jmh h LEU 96 Ca -0.03 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jmh h LEU 96 Cb 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2jmh h LEU 96 CO 0.05 0.76 0.34 0.77 0.09 0.00 0.00 178.44 180.45 2jmh h SER 97 N 0.45 0.59 0.02 -0.43 4.64 -1.16 -0.69 113.55 116.98 2jmh h SER 97 Ca 0.10 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jmh h SER 97 Cb 0.44 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2jmh h SER 97 CO 0.02 0.43 -0.01 0.11 -0.87 0.00 0.00 176.83 176.50 2jmh h LYS 98 N 0.70 -0.03 -0.22 4.77 1.57 -0.43 -1.18 116.57 121.74 2jmh h LYS 98 Ca 0.19 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2jmh h LYS 98 Cb -0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2jmh h LYS 98 CO -0.04 0.07 -0.00 0.82 -0.57 0.00 0.00 179.45 179.73 2jmh h ILE 99 N -0.13 0.84 -0.52 1.86 2.04 -1.13 -1.45 117.51 119.02 2jmh h ILE 99 Ca -0.00 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2jmh h ILE 99 Cb 0.12 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2jmh h ILE 99 CO 0.01 0.01 0.27 0.25 0.00 0.00 0.00 178.15 178.69 2jmh h LEU 100 N 0.06 0.40 -0.12 1.44 7.12 -1.03 -1.60 115.31 121.58 2jmh h LEU 100 Ca 0.10 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.17 2jmh h LEU 100 Cb 0.13 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 2jmh h LEU 100 CO -0.18 0.28 -0.06 -0.07 -0.13 0.00 0.00 178.44 178.28 2jmh h LEU 101 N 0.53 -0.19 -0.05 2.25 3.38 -0.74 -0.79 115.31 119.70 2jmh h LEU 101 Ca 0.23 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.28 2jmh h LEU 101 Cb 0.12 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2jmh h LEU 101 CO -0.15 -0.08 -0.15 0.50 0.09 0.00 0.00 178.44 178.65 2jmh h LYS 102 N -0.05 -0.22 -0.73 1.13 3.64 -0.90 -1.21 116.57 118.23 2jmh h LYS 102 Ca 0.07 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2jmh h LYS 102 Cb 0.15 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 2jmh h LYS 102 CO -0.16 -0.15 0.37 0.22 -2.27 0.00 0.00 179.45 177.47 2jmh h ASP 103 N -0.23 0.49 -0.33 4.20 1.82 -1.03 -1.30 116.42 120.03 2jmh h ASP 103 Ca 0.07 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2jmh h ASP 103 Cb 0.32 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 2jmh h ASP 103 CO -0.18 0.27 0.20 0.25 -1.61 0.00 0.00 179.24 178.18 2jmh h LEU 104 N 0.62 0.33 -0.86 2.28 5.85 -0.53 -0.98 115.31 122.03 2jmh h LEU 104 Ca 0.36 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.10 2jmh h LEU 104 Cb 0.38 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2jmh h LEU 104 CO -0.27 0.24 0.56 0.11 -0.34 0.00 0.00 178.44 178.74 2jmh h LYS 105 N 0.41 1.07 -0.60 1.25 1.79 -0.44 -1.13 116.57 118.92 2jmh h LYS 105 Ca 0.13 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2jmh h LYS 105 Cb -0.01 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.37 2jmh h LYS 105 CO -0.06 0.71 0.18 1.49 -1.08 0.00 0.00 179.45 180.69 2jmh h GLU 106 N 1.10 0.95 0.31 3.15 4.57 -0.81 -0.93 114.58 122.92 2jmh h GLU 106 Ca 0.33 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 2jmh h GLU 106 Cb -0.04 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2jmh h GLU 106 CO -0.10 0.85 -0.15 1.79 -1.18 0.00 0.00 179.01 180.22 2jmh h THR 107 N 0.87 0.72 -0.77 0.32 1.35 -0.65 -0.74 112.91 114.00 2jmh h THR 107 Ca 0.19 -0.26 0.03 0.00 -0.55 0.00 0.00 66.41 65.82 2jmh h THR 107 Cb 0.31 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2jmh h THR 107 CO -0.00 0.06 0.51 1.05 -0.25 0.00 0.00 175.52 176.88 2jmh h GLU 108 N -0.56 0.94 -0.60 4.72 4.11 -1.19 -1.40 114.58 120.60 2jmh h GLU 108 Ca -0.04 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 2jmh h GLU 108 Cb 0.41 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jmh h GLU 108 CO 0.07 0.62 -0.00 0.37 0.07 0.00 0.00 179.01 180.14 2jmh h GLN 109 N 0.97 1.06 0.00 1.06 4.15 -0.99 -0.57 115.11 120.80 2jmh h GLN 109 Ca 0.30 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2jmh h GLN 109 Cb 0.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jmh h GLN 109 CO -0.08 1.04 -0.00 0.87 -1.93 0.00 0.00 178.83 178.72 2jmh h LYS 110 N 0.96 -0.00 -0.37 1.69 1.57 -0.40 0.36 116.57 120.38 2jmh h LYS 110 Ca 0.17 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2jmh h LYS 110 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2jmh h LYS 110 CO 0.03 0.25 0.04 -0.24 -0.57 0.00 0.00 179.45 178.96 2jmh h VAL 111 N -0.25 1.19 -0.03 0.50 3.04 -1.25 -1.36 116.25 118.09 2jmh h VAL 111 Ca -0.00 -0.72 -0.16 0.00 -1.01 0.00 0.00 66.70 64.81 2jmh h VAL 111 Cb 0.25 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2jmh h VAL 111 CO 0.00 0.25 -0.70 0.11 -1.01 0.00 0.00 177.57 176.23 2jmh h LYS 112 N 0.54 0.16 -0.19 4.17 1.57 -0.95 -3.22 116.57 118.65 2jmh h LYS 112 Ca 0.12 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2jmh h LYS 112 Cb 0.28 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jmh h LYS 112 CO 0.00 0.79 -0.53 0.22 -0.57 0.00 0.00 179.45 179.37 2jmh h ASP 113 N 0.11 0.79 -3.26 0.86 3.58 -0.39 -3.45 116.42 114.67 2jmh h ASP 113 Ca -0.02 -0.58 -0.57 0.00 0.42 0.00 0.00 57.03 56.29 2jmh h ASP 113 Cb 1.24 -0.23 0.10 0.00 1.72 0.00 0.00 39.33 42.16 2jmh h ASP 113 CO 0.10 1.23 0.58 -0.38 -2.88 0.00 0.00 179.24 177.90 2jmh n ILE 114 N -4.13 1.74 -3.90 2.25 -0.00 -0.56 -4.99 119.36 109.76 2jmh n ILE 114 Ca -0.06 -0.43 -0.34 0.00 -0.00 0.00 0.00 62.75 61.91 2jmh n ILE 114 Cb 0.61 -1.62 -0.05 0.00 -0.00 0.00 0.00 39.64 38.58 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 -1.53 3.43 0.14 0.38 -2.07 -1.26 -4.98 119.66 113.76 2jmh s GLN 115 Ca 0.58 -0.29 -0.00 0.00 -1.82 0.00 0.00 55.36 53.83 2jmh s GLN 115 Cb -0.57 -3.11 0.00 0.00 -1.09 0.00 0.00 33.01 28.24 2jmh s GLN 115 CO 0.59 0.70 0.18 0.25 -1.32 0.00 0.00 175.29 175.69 2jmh n THR 116 N 1.15 0.00 -0.05 3.63 -2.24 -1.26 -4.90 114.28 110.61 2jmh n THR 116 Ca -0.13 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2jmh n THR 116 Cb 0.53 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50