#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 4.29 -0.08 2.61 2.02 -1.26 -5.03 118.70 121.24 2jmh s GLU 2 Ca 0.00 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.18 2jmh s GLU 2 Cb 0.00 -3.60 0.02 0.00 0.10 0.00 0.00 34.13 30.65 2jmh s GLU 2 CO 0.00 -0.45 -0.12 -1.01 0.02 0.00 0.00 175.26 173.71 2jmh s HIS 3 N 2.55 1.55 0.54 1.61 3.76 -1.26 -5.14 115.29 118.90 2jmh s HIS 3 Ca 0.41 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.61 2jmh s HIS 3 Cb -0.16 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 2jmh s HIS 3 CO 0.11 -0.35 0.88 0.15 -0.85 0.00 0.00 174.74 174.68 2jmh s LYS 4 N 0.90 3.47 1.13 1.40 1.02 -1.26 -5.08 119.74 121.32 2jmh s LYS 4 Ca -0.10 0.36 -0.17 0.00 0.02 0.00 0.00 55.97 56.08 2jmh s LYS 4 Cb -0.15 -2.26 0.25 0.00 -0.52 0.00 0.00 37.83 35.15 2jmh s LYS 4 CO 0.01 -0.40 1.10 -1.25 -0.92 0.00 0.00 175.35 173.89 2jmh s PRO 5 N -4.92 -0.67 -0.02 -1.68 0.04 -1.26 -5.09 135.00 121.40 2jmh s PRO 5 Ca 0.51 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 2jmh s PRO 5 Cb -0.11 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.80 2jmh s PRO 5 CO 0.48 -3.39 0.22 0.21 0.04 0.00 0.00 177.00 174.57 2jmh s LYS 6 N -5.24 0.54 0.30 4.56 2.47 -1.26 -5.18 119.74 115.93 2jmh s LYS 6 Ca 0.69 -0.22 0.05 0.00 -1.56 0.00 0.00 55.97 54.92 2jmh s LYS 6 Cb -0.13 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.44 2jmh s LYS 6 CO 0.57 -0.13 0.22 -1.59 0.16 0.00 0.00 175.35 174.58 2jmh s LYS 7 N -1.18 1.60 -1.51 4.03 -2.85 -1.26 -4.87 119.74 113.70 2jmh s LYS 7 Ca -0.12 -1.91 -0.01 0.00 -1.00 0.00 0.00 55.97 52.92 2jmh s LYS 7 Cb -0.06 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2jmh s LYS 7 CO 0.03 -0.56 0.13 -3.47 0.10 0.00 0.00 175.35 171.57 2jmh n ASP 8 N -1.15 -5.36 -2.06 0.03 2.03 -1.26 -4.88 116.55 103.90 2jmh n ASP 8 Ca 0.05 -0.07 -0.21 0.00 0.52 0.00 0.00 54.79 55.08 2jmh n ASP 8 Cb 0.64 -4.37 0.18 0.00 -0.72 0.00 0.00 41.12 36.85 2jmh n ASP 8 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jmh n ASP 9 N -1.59 3.61 -4.50 1.67 8.00 -1.26 -4.95 116.55 117.52 2jmh n ASP 9 Ca -0.19 -3.64 -0.26 0.00 0.71 0.00 0.00 54.79 51.40 2jmh n ASP 9 Cb 0.65 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 2jmh n ASP 9 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jmh s PHE 10 N -3.30 2.45 -0.61 1.24 0.40 -1.26 -5.06 117.98 111.84 2jmh s PHE 10 Ca 0.55 -0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 56.32 2jmh s PHE 10 Cb 0.47 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2jmh s PHE 10 CO 0.09 0.53 1.82 0.50 0.70 0.00 0.00 175.22 178.86 2jmh s ARG 11 N -2.88 2.70 -0.20 0.44 6.06 -1.26 -4.93 118.95 118.89 2jmh s ARG 11 Ca 0.24 0.60 -0.29 0.00 -2.50 0.00 0.00 55.73 53.78 2jmh s ARG 11 Cb -0.08 -4.36 -0.04 0.00 0.06 0.00 0.00 34.95 30.53 2jmh s ARG 11 CO 0.13 -2.65 1.82 1.21 -2.50 0.00 0.00 175.30 173.31 2jmh s ASN 12 N 7.69 6.13 0.32 -2.12 3.84 -1.26 -4.92 114.94 124.62 2jmh s ASN 12 Ca 0.66 1.79 -0.11 0.00 0.21 0.00 0.00 52.86 55.41 2jmh s ASN 12 Cb -0.13 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.09 2jmh s ASN 12 CO 0.21 -1.43 0.61 -1.84 -2.79 0.00 0.00 177.10 171.86 2jmh n GLU 13 N 7.97 0.88 -3.21 0.43 0.28 -1.26 -5.10 120.64 120.63 2jmh n GLU 13 Ca 0.22 -1.90 -0.24 0.00 -0.16 0.00 0.00 57.16 55.08 2jmh n GLU 13 Cb 0.45 2.27 -0.06 0.00 1.43 0.00 0.00 31.44 35.53 2jmh n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2jmh n PHE 14 N -0.44 1.92 0.23 -1.84 3.72 -1.26 -4.95 117.46 114.84 2jmh n PHE 14 Ca -0.06 -3.89 -0.16 0.00 -0.05 0.00 0.00 57.45 53.30 2jmh n PHE 14 Cb 0.49 -0.46 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 2jmh n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jmh h ASP 15 N 3.66 -0.87 -5.28 4.37 5.19 -1.98 -3.47 116.42 118.04 2jmh h ASP 15 Ca 0.13 0.07 -0.26 0.00 -0.62 0.00 0.00 57.03 56.35 2jmh h ASP 15 Cb 0.75 0.28 0.17 0.00 0.18 0.00 0.00 39.33 40.71 2jmh h ASP 15 CO 0.66 -0.47 -0.75 1.57 -3.12 0.00 0.00 179.24 177.13 2jmh n HIS 16 N -5.44 -2.14 -4.26 4.55 -0.00 -1.26 -5.03 115.22 101.64 2jmh n HIS 16 Ca -0.10 0.82 -0.30 0.00 0.46 0.00 0.00 57.72 58.60 2jmh n HIS 16 Cb 0.35 -4.36 -0.10 0.00 -0.12 0.00 0.00 29.99 25.75 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 -5.54 2.98 0.03 0.27 1.43 -1.26 -5.03 118.68 111.55 2jmh s LEU 17 Ca 0.23 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2jmh s LEU 17 Cb -0.03 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2jmh s LEU 17 CO 0.67 0.18 1.17 -0.07 0.23 0.00 0.00 176.35 178.54 2jmh h LEU 18 N 3.70 -0.48 -0.91 1.79 3.38 -2.00 -0.27 115.31 120.52 2jmh h LEU 18 Ca -0.49 0.05 0.16 0.00 0.09 0.00 0.00 57.88 57.69 2jmh h LEU 18 Cb 1.17 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 2jmh h LEU 18 CO 0.51 -0.18 0.49 0.40 0.09 0.00 0.00 178.44 179.75 2jmh h ILE 19 N -0.25 0.71 -0.05 1.22 1.08 -1.98 -1.01 117.51 117.23 2jmh h ILE 19 Ca -0.01 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2jmh h ILE 19 Cb 0.24 -0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 33.93 2jmh h ILE 19 CO -0.07 0.12 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.18 2jmh h GLU 20 N 0.66 -0.35 -0.76 2.37 4.57 -1.85 0.26 114.58 119.49 2jmh h GLU 20 Ca 0.51 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.70 2jmh h GLU 20 Cb 0.75 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 2jmh h GLU 20 CO -0.38 -0.23 0.43 1.96 -1.18 0.00 0.00 179.01 179.61 2jmh h GLN 21 N -0.36 1.04 -0.46 1.92 4.20 -0.15 -1.59 115.11 119.71 2jmh h GLN 21 Ca 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jmh h GLN 21 Cb 0.47 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2jmh h GLN 21 CO -0.25 0.76 0.27 0.00 -0.67 0.00 0.00 178.83 178.93 2jmh h ALA 22 N 1.23 0.59 -0.67 3.87 0.00 -0.57 -0.58 119.26 123.13 2jmh h ALA 22 Ca 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2jmh h ALA 22 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2jmh h ALA 22 CO -0.05 0.10 0.31 -0.91 0.00 0.00 0.00 179.25 178.70 2jmh h ASN 23 N 0.62 0.89 -0.57 0.00 2.35 -0.20 -1.27 115.58 117.39 2jmh h ASN 23 Ca 0.17 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2jmh h ASN 23 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2jmh h ASN 23 CO -0.03 0.78 0.07 0.45 -1.65 0.00 0.00 177.43 177.05 2jmh h HIS 24 N 0.93 1.06 0.10 1.19 3.86 -1.01 -0.39 115.15 120.89 2jmh h HIS 24 Ca 0.23 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2jmh h HIS 24 Cb 0.14 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jmh h HIS 24 CO 0.01 0.91 -0.05 0.00 0.86 0.00 0.00 177.93 179.66 2jmh h ALA 25 N 1.13 -0.13 -0.32 2.45 0.00 -0.76 -1.58 119.26 120.05 2jmh h ALA 25 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jmh h ALA 25 Cb 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jmh h ALA 25 CO 0.02 -0.44 0.00 -0.84 0.00 0.00 0.00 179.25 177.99 2jmh h ILE 26 N -0.39 1.19 0.68 0.00 3.07 -1.19 -1.44 117.51 119.43 2jmh h ILE 26 Ca -0.01 -0.73 -0.03 0.00 1.55 0.00 0.00 64.86 65.63 2jmh h ILE 26 Cb 0.33 0.94 0.01 0.00 -0.27 0.00 0.00 36.82 37.83 2jmh h ILE 26 CO 0.02 0.25 -0.33 -0.08 -1.05 0.00 0.00 178.15 176.96 2jmh h GLU 27 N 0.47 -0.88 -0.05 0.16 4.57 -0.95 -1.01 114.58 116.89 2jmh h GLU 27 Ca 0.10 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2jmh h GLU 27 Cb 0.30 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2jmh h GLU 27 CO 0.01 -0.56 -0.14 -0.22 -1.18 0.00 0.00 179.01 176.92 2jmh h LYS 28 N -1.16 -0.20 -0.25 1.92 3.64 -1.24 -1.52 116.57 117.75 2jmh h LYS 28 Ca -0.09 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2jmh h LYS 28 Cb 0.73 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 2jmh h LYS 28 CO 0.15 -0.13 -0.10 0.78 -2.27 0.00 0.00 179.45 177.88 2jmh h GLY 29 N -0.21 0.12 0.56 5.01 0.00 -1.32 -1.29 103.07 105.94 2jmh h GLY 29 Ca 0.07 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.61 2jmh h GLY 29 CO -0.18 -0.13 0.40 -2.09 0.00 0.00 0.00 176.54 174.55 2jmh h GLU 30 N -0.06 0.68 -0.31 4.80 4.81 -0.89 -0.25 114.58 123.36 2jmh h GLU 30 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2jmh h GLU 30 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2jmh h GLU 30 CO -0.29 0.45 0.20 1.25 -0.73 0.00 0.00 179.01 179.89 2jmh h HIS 31 N 0.70 0.38 -0.17 0.92 2.76 -0.54 -1.15 115.15 118.06 2jmh h HIS 31 Ca 0.35 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 2jmh h HIS 31 Cb 0.31 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2jmh h HIS 31 CO -0.08 0.23 -0.11 1.96 -1.30 0.00 0.00 177.93 178.63 2jmh h GLN 32 N 0.41 0.27 0.15 5.26 4.20 -0.55 -0.66 115.11 124.18 2jmh h GLN 32 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2jmh h GLN 32 Cb -0.04 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2jmh h GLN 32 CO -0.03 0.39 -0.07 1.25 -0.67 0.00 0.00 178.83 179.70 2jmh h LEU 33 N 0.25 -0.17 -1.33 1.46 7.12 -0.43 0.26 115.31 122.48 2jmh h LEU 33 Ca 0.05 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 57.72 2jmh h LEU 33 Cb 0.36 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2jmh h LEU 33 CO 0.02 0.22 -0.15 0.17 -0.13 0.00 0.00 178.44 178.58 2jmh h LEU 34 N -0.58 0.26 -0.02 2.25 8.10 -1.11 0.63 115.31 124.84 2jmh h LEU 34 Ca -0.02 -0.06 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 2jmh h LEU 34 Cb 0.45 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 40.61 2jmh h LEU 34 CO 0.03 0.43 -0.52 0.22 -4.11 0.00 0.00 178.44 174.50 2jmh h TYR 35 N 0.26 0.56 0.00 0.17 5.03 -1.07 -3.25 116.97 118.66 2jmh h TYR 35 Ca 0.05 -0.29 -0.09 0.00 2.58 0.00 0.00 58.73 60.98 2jmh h TYR 35 Cb 0.42 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 2jmh h TYR 35 CO 0.01 1.09 -0.41 -0.07 -1.32 0.00 0.00 178.16 177.46 2jmh h LEU 36 N -0.14 0.00 -1.00 2.82 3.38 -0.31 -3.02 115.31 117.04 2jmh h LEU 36 Ca -0.06 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.10 2jmh h LEU 36 Cb 1.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 2jmh h LEU 36 CO 0.10 0.41 0.60 -0.61 0.09 0.00 0.00 178.44 179.04 2jmh h GLN 37 N 0.00 0.72 0.43 1.13 4.15 -0.90 -0.81 115.11 119.83 2jmh h GLN 37 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2jmh h GLN 37 Cb 0.77 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2jmh h GLN 37 CO 0.05 0.48 -0.20 1.25 -1.93 0.00 0.00 178.83 178.48 2jmh h HIS 38 N 0.75 -0.53 -0.91 3.99 2.76 -1.65 -1.24 115.15 118.31 2jmh h HIS 38 Ca 0.58 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.87 2jmh h HIS 38 Cb 0.92 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.98 2jmh h HIS 38 CO -0.01 -0.27 0.59 1.96 -1.30 0.00 0.00 177.93 178.90 2jmh h GLN 39 N -0.68 0.77 0.12 5.26 1.08 -1.44 -1.51 115.11 118.71 2jmh h GLN 39 Ca -0.06 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2jmh h GLN 39 Cb 0.50 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2jmh h GLN 39 CO 0.10 0.51 -0.06 1.25 -0.95 0.00 0.00 178.83 179.68 2jmh h LEU 40 N 0.80 -0.14 -0.73 1.46 5.85 -0.95 0.27 115.31 121.87 2jmh h LEU 40 Ca 0.45 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 59.07 2jmh h LEU 40 Cb 0.61 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 2jmh h LEU 40 CO -0.21 0.13 0.36 -0.78 -0.34 0.00 0.00 178.44 177.59 2jmh h ASP 41 N -0.41 0.45 0.45 1.25 1.82 -0.56 0.27 116.42 119.70 2jmh h ASP 41 Ca -0.02 0.07 -0.17 0.00 -0.39 0.00 0.00 57.03 56.53 2jmh h ASP 41 Cb 0.33 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2jmh h ASP 41 CO 0.03 0.25 -0.71 -0.08 -1.61 0.00 0.00 179.24 177.11 2jmh h GLU 42 N 0.59 0.22 -0.02 0.28 4.57 -1.21 -3.11 114.58 115.92 2jmh h GLU 42 Ca 0.37 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 2jmh h GLU 42 Cb 0.42 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2jmh h GLU 42 CO -0.29 0.85 -0.54 1.25 -1.18 0.00 0.00 179.01 179.09 2jmh h LEU 43 N 0.15 0.05 -0.59 1.64 5.85 0.89 0.68 115.31 123.97 2jmh h LEU 43 Ca -0.02 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2jmh h LEU 43 Cb 1.27 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2jmh h LEU 43 CO 0.11 0.58 0.22 0.78 -0.34 0.00 0.00 178.44 179.79 2jmh h ASN 44 N 0.03 0.22 0.04 1.25 2.35 -0.45 0.32 115.58 119.35 2jmh h ASN 44 Ca -0.00 0.08 -0.28 0.00 -0.55 0.00 0.00 56.30 55.54 2jmh h ASN 44 Cb 0.97 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 2jmh h ASN 44 CO 0.07 0.13 -1.53 1.21 -1.65 0.00 0.00 177.43 175.67 2jmh n GLU 45 N -5.00 0.63 -0.28 0.81 2.13 -1.19 -4.20 120.64 113.55 2jmh n GLU 45 Ca 0.08 0.47 0.12 0.00 0.66 0.00 0.00 57.16 58.49 2jmh n GLU 45 Cb 0.26 -1.73 0.37 0.00 0.27 0.00 0.00 31.44 30.61 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 -0.63 0.68 -5.44 4.31 -0.73 -0.82 -3.45 115.58 109.50 2jmh h ASN 46 Ca -0.38 0.05 -0.33 0.00 1.87 0.00 0.00 56.30 57.50 2jmh h ASN 46 Cb 1.56 -0.09 -0.10 0.00 0.27 0.00 0.00 38.32 39.97 2jmh h ASN 46 CO -0.11 0.33 -0.49 0.29 -0.37 0.00 0.00 177.43 177.09 2jmh n LYS 47 N -4.58 -2.87 -2.46 6.67 4.76 0.11 -4.87 118.16 114.92 2jmh n LYS 47 Ca 0.18 0.37 -0.41 0.00 -2.87 0.00 0.00 58.31 55.57 2jmh n LYS 47 Cb 0.48 -5.01 -0.04 0.00 -1.84 0.00 0.00 35.03 28.63 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 -2.60 7.17 0.11 4.39 0.15 -1.26 -4.65 113.70 117.00 2jmh s SER 48 Ca 0.35 2.09 -0.18 0.00 0.70 0.00 0.00 55.95 58.92 2jmh s SER 48 Cb -0.19 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 2jmh s SER 48 CO 0.43 -0.33 1.64 0.07 1.20 0.00 0.00 173.24 176.25 2jmh h LYS 49 N 5.66 0.48 0.27 5.44 2.10 -1.90 0.13 116.57 128.74 2jmh h LYS 49 Ca -0.44 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 2jmh h LYS 49 Cb 1.21 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2jmh h LYS 49 CO 0.75 0.52 -0.13 0.93 -2.00 0.00 0.00 179.45 179.52 2jmh h GLU 50 N 0.35 -0.35 -0.65 0.07 4.39 -1.92 -1.34 114.58 115.14 2jmh h GLU 50 Ca 0.10 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.88 2jmh h GLU 50 Cb 0.23 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2jmh h GLU 50 CO -0.00 -0.11 0.43 1.25 -1.16 0.00 0.00 179.01 179.42 2jmh h LEU 51 N -0.54 0.61 0.71 1.33 5.85 -1.96 0.04 115.31 121.35 2jmh h LEU 51 Ca -0.04 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2jmh h LEU 51 Cb 0.40 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2jmh h LEU 51 CO 0.06 0.41 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.62 2jmh h GLN 52 N 0.70 -0.92 -0.20 1.25 5.75 -0.77 0.14 115.11 121.07 2jmh h GLN 52 Ca 0.27 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.89 2jmh h GLN 52 Cb 0.18 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2jmh h GLN 52 CO -0.08 -0.60 0.15 0.93 -2.65 0.00 0.00 178.83 176.58 2jmh h GLU 53 N -1.23 0.00 0.17 1.69 5.08 -1.06 -0.57 114.58 118.66 2jmh h GLU 53 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2jmh h GLU 53 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2jmh h GLU 53 CO 0.16 0.00 -0.08 0.87 -1.00 0.00 0.00 179.01 178.96 2jmh h LYS 54 N 0.00 -0.22 0.03 2.33 1.79 -0.88 -2.67 116.57 116.95 2jmh h LYS 54 Ca 0.09 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2jmh h LYS 54 Cb 0.40 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2jmh h LYS 54 CO -0.00 0.15 -0.21 0.82 -1.08 0.00 0.00 179.45 179.13 2jmh h ILE 55 N -0.95 0.52 -0.76 1.86 2.04 -0.38 -1.12 117.51 118.71 2jmh h ILE 55 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 2jmh h ILE 55 Cb 0.46 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2jmh h ILE 55 CO 0.04 0.00 0.50 -0.29 0.00 0.00 0.00 178.15 178.40 2jmh h ILE 56 N -0.35 0.86 0.21 -0.67 2.10 -1.25 0.26 117.51 118.68 2jmh h ILE 56 Ca 0.05 -0.19 -0.01 0.00 1.08 0.00 0.00 64.86 65.79 2jmh h ILE 56 Cb 0.41 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 2jmh h ILE 56 CO -0.17 0.10 -0.10 0.03 -1.08 0.00 0.00 178.15 176.93 2jmh h ARG 57 N 0.55 -0.27 -0.52 2.19 -0.00 -0.94 0.13 114.38 115.53 2jmh h ARG 57 Ca 0.37 0.02 -0.05 0.00 -0.50 0.00 0.00 59.98 59.82 2jmh h ARG 57 Cb 0.66 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.67 2jmh h ARG 57 CO -0.13 0.03 0.14 0.93 0.00 0.00 0.00 179.97 180.94 2jmh h GLU 58 N -0.58 0.82 -0.05 0.04 4.39 -0.64 -1.42 114.58 117.15 2jmh h GLU 58 Ca -0.03 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 2jmh h GLU 58 Cb 0.43 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jmh h GLU 58 CO 0.05 0.77 -0.31 1.25 -1.16 0.00 0.00 179.01 179.61 2jmh h LEU 59 N 0.72 0.10 0.18 1.33 5.85 -0.51 -0.92 115.31 122.06 2jmh h LEU 59 Ca 0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jmh h LEU 59 Cb 0.31 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jmh h LEU 59 CO -0.00 0.40 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.63 2jmh h ASP 60 N 0.09 -0.21 -0.66 1.25 3.58 -0.36 -0.21 116.42 119.91 2jmh h ASP 60 Ca 0.01 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 2jmh h ASP 60 Cb 0.59 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2jmh h ASP 60 CO 0.04 0.29 0.40 -0.37 -2.88 0.00 0.00 179.24 176.73 2jmh h VAL 61 N -0.80 1.19 0.46 2.25 -1.51 -1.23 0.76 116.25 117.36 2jmh h VAL 61 Ca -0.03 -0.41 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2jmh h VAL 61 Cb 0.52 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2jmh h VAL 61 CO 0.04 0.19 -0.22 0.58 -1.23 0.00 0.00 177.57 176.94 2jmh h VAL 62 N 0.89 0.44 -0.22 7.19 2.07 -1.24 -1.64 116.25 123.76 2jmh h VAL 62 Ca 0.24 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jmh h VAL 62 Cb -0.04 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2jmh h VAL 62 CO -0.05 0.07 0.16 0.00 0.02 0.00 0.00 177.57 177.77 2jmh h ALA 64 N 1.88 -0.54 -0.81 0.00 0.00 -0.71 -0.62 119.26 118.46 2jmh h ALA 64 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jmh h ALA 64 Cb 0.43 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2jmh h ALA 64 CO -0.00 -0.55 0.41 0.00 0.00 0.00 0.00 179.25 179.11 2jmh h MET 65 N -1.04 1.15 -0.15 0.00 -0.00 -0.98 -1.40 114.93 112.51 2jmh h MET 65 Ca -0.05 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.70 59.48 2jmh h MET 65 Cb 0.52 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2jmh h MET 65 CO 0.09 0.87 0.03 0.82 -0.00 0.00 0.00 176.91 178.71 2jmh h ILE 66 N 1.15 1.22 0.24 -0.10 5.03 -0.79 0.15 117.51 124.41 2jmh h ILE 66 Ca 0.28 -0.69 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 2jmh h ILE 66 Cb 0.08 1.38 -0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2jmh h ILE 66 CO -0.04 0.21 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.17 2jmh h GLU 67 N 0.04 -0.34 -0.45 2.37 4.39 -0.89 0.04 114.58 119.72 2jmh h GLU 67 Ca 0.05 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2jmh h GLU 67 Cb 0.29 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2jmh h GLU 67 CO 0.00 -0.23 0.17 0.78 -1.16 0.00 0.00 179.01 178.58 2jmh h GLY 68 N -0.36 0.73 0.91 -3.84 0.00 -1.26 0.58 103.07 99.84 2jmh h GLY 68 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2jmh h GLY 68 CO 0.04 0.38 -0.31 0.00 0.00 0.00 0.00 176.54 176.65 2jmh h ALA 69 N 1.02 -0.79 -0.19 3.60 0.00 -0.57 -1.29 119.26 121.04 2jmh h ALA 69 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jmh h ALA 69 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jmh h ALA 69 CO -0.01 -0.96 -0.02 -0.56 0.00 0.00 0.00 179.25 177.71 2jmh h GLN 70 N -0.79 0.27 0.15 0.00 3.07 -0.98 -0.90 115.11 115.93 2jmh h GLN 70 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2jmh h GLN 70 Cb 0.63 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2jmh h GLN 70 CO 0.08 0.31 -0.07 0.78 0.09 0.00 0.00 178.83 180.03 2jmh h GLY 71 N 0.57 -0.21 0.96 0.06 0.00 -0.50 0.10 103.07 104.06 2jmh h GLY 71 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 2jmh h GLY 71 CO 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.30 2jmh h ALA 72 N 0.46 0.47 0.18 3.60 0.00 -1.08 -0.99 119.26 121.90 2jmh h ALA 72 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jmh h ALA 72 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jmh h ALA 72 CO 0.03 0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.85 2jmh h LEU 73 N 0.48 -0.20 -0.06 0.00 6.46 -1.16 0.24 115.31 121.07 2jmh h LEU 73 Ca 0.07 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2jmh h LEU 73 Cb 0.71 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2jmh h LEU 73 CO 0.05 -0.09 0.03 -0.33 -0.62 0.00 0.00 178.44 177.48 2jmh h GLU 74 N -0.29 0.08 0.00 1.25 4.39 -0.82 0.19 114.58 119.37 2jmh h GLU 74 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2jmh h GLU 74 Cb 0.23 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2jmh h GLU 74 CO 0.04 0.12 -0.12 0.00 -1.16 0.00 0.00 179.01 177.89 2jmh h ARG 75 N 0.02 0.00 0.05 2.33 2.47 -1.11 0.23 114.38 118.37 2jmh h ARG 75 Ca 0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2jmh h ARG 75 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2jmh h ARG 75 CO -0.00 0.12 -0.02 1.49 0.56 0.00 0.00 179.97 182.11 2jmh h GLU 76 N 0.00 -0.06 0.00 0.04 4.57 0.05 -3.30 114.58 115.87 2jmh h GLU 76 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2jmh h GLU 76 Cb 0.23 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2jmh h GLU 76 CO 0.02 0.47 -0.06 1.37 -1.18 0.00 0.00 179.01 179.63 2jmh h LEU 77 N -0.95 0.00 -0.67 1.64 8.10 -0.54 -2.03 115.31 120.86 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 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2jmh h LEU 77 CO 0.01 0.06 0.00 0.29 -4.11 0.00 0.00 178.44 174.69 2jmh n LYS 78 N -3.28 0.12 -0.07 0.17 4.76 0.79 -3.13 118.16 117.53 2jmh n LYS 78 Ca -0.01 0.45 -0.07 0.00 -2.87 0.00 0.00 58.31 55.81 2jmh n LYS 78 Cb 0.25 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 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 -0.19 -2.89 1.97 1.12 -1.48 -3.46 114.38 109.45 2jmh h ARG 79 Ca 0.00 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2jmh h ARG 79 Cb 0.22 0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.12 2jmh h ARG 79 CO 0.00 -0.13 0.26 0.95 -3.11 0.00 0.00 179.97 177.94 2jmh s THR 80 N -6.10 0.00 -0.31 0.20 -4.23 -1.18 -5.12 115.64 98.89 2jmh s THR 80 Ca -0.15 -0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2jmh s THR 80 Cb 0.13 -1.34 0.25 0.00 1.34 0.00 0.00 72.50 72.87 2jmh s THR 80 CO 0.69 0.00 1.22 -0.90 -0.54 0.00 0.00 174.62 175.08 2jmh n ASP 81 N -0.39 -1.13 -4.37 3.99 5.68 -1.26 -4.95 116.55 114.11 2jmh n ASP 81 Ca -0.12 -1.10 -0.46 0.00 -0.50 0.00 0.00 54.79 52.61 2jmh n ASP 81 Cb 0.63 0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 41.17 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jmh s LEU 82 N 0.50 6.12 -0.29 -2.12 0.20 -1.26 -4.58 118.68 117.25 2jmh s LEU 82 Ca 0.24 -2.56 -0.25 0.00 0.69 0.00 0.00 54.13 52.25 2jmh s LEU 82 Cb 0.17 -2.28 0.18 0.00 -0.43 0.00 0.00 46.19 43.83 2jmh s LEU 82 CO -0.09 -0.72 1.36 0.21 -0.29 0.00 0.00 176.35 176.83 2jmh s ASN 83 N 2.60 -0.13 0.10 3.68 3.04 -1.26 -5.01 114.94 117.97 2jmh s ASN 83 Ca 0.24 0.25 -0.31 0.00 0.04 0.00 0.00 52.86 53.09 2jmh s ASN 83 Cb -0.08 0.26 -0.12 0.00 -1.54 0.00 0.00 41.25 39.77 2jmh s ASN 83 CO -0.09 -0.04 1.61 0.40 -3.04 0.00 0.00 177.10 175.94 2jmh h ILE 84 N 3.18 0.26 -0.45 -5.21 1.08 -1.99 0.26 117.51 114.64 2jmh h ILE 84 Ca -0.27 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2jmh h ILE 84 Cb 1.19 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 2jmh h ILE 84 CO 0.17 0.00 0.26 0.25 -0.69 0.00 0.00 178.15 178.14 2jmh h LEU 85 N -0.70 0.42 -0.26 1.44 6.46 -1.99 -1.66 115.31 119.02 2jmh h LEU 85 Ca -0.01 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2jmh h LEU 85 Cb 0.65 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2jmh h LEU 85 CO -0.11 0.30 0.09 -0.08 -0.62 0.00 0.00 178.44 178.03 2jmh h GLU 86 N 0.53 0.21 -0.62 1.25 4.81 -1.87 -1.07 114.58 117.82 2jmh h GLU 86 Ca 0.18 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2jmh h GLU 86 Cb 0.02 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 2jmh h GLU 86 CO -0.09 0.14 0.35 -0.09 -0.73 0.00 0.00 179.01 178.59 2jmh h ARG 87 N 0.21 0.64 0.55 1.92 9.65 -0.16 0.91 114.38 128.10 2jmh h ARG 87 Ca 0.12 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2jmh h ARG 87 Cb 0.08 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2jmh h ARG 87 CO -0.12 0.42 -0.26 0.35 2.80 0.00 0.00 179.97 183.17 2jmh h PHE 88 N 0.66 -0.68 -0.70 2.20 3.57 -0.85 -1.10 116.94 120.04 2jmh h PHE 88 Ca 0.27 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.82 2jmh h PHE 88 Cb 0.14 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 2jmh h PHE 88 CO -0.08 -0.41 0.40 -0.91 -2.23 0.00 0.00 178.31 175.08 2jmh h ASN 89 N -0.76 0.60 -0.17 0.41 -0.26 -0.99 -1.74 115.58 112.67 2jmh h ASN 89 Ca -0.07 0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2jmh h ASN 89 Cb 0.57 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 2jmh h ASN 89 CO 0.12 0.38 0.01 1.88 -1.06 0.00 0.00 177.43 178.77 2jmh h TYR 90 N 0.73 0.02 0.21 1.19 -1.99 -0.66 0.24 116.97 116.71 2jmh h TYR 90 Ca 0.31 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.06 2jmh h TYR 90 Cb 0.19 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 2jmh h TYR 90 CO -0.07 -0.01 -0.24 1.49 -0.00 0.00 0.00 178.16 179.34 2jmh h GLU 91 N 0.07 -0.47 -0.29 4.88 4.81 -0.71 -1.28 114.58 121.59 2jmh h GLU 91 Ca 0.08 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2jmh h GLU 91 Cb 0.09 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2jmh h GLU 91 CO -0.12 -0.31 0.14 1.49 -0.73 0.00 0.00 179.01 179.48 2jmh h GLU 92 N -0.49 0.29 -0.41 1.92 4.81 -1.15 -0.97 114.58 118.58 2jmh h GLU 92 Ca 0.00 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2jmh h GLU 92 Cb 0.47 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 2jmh h GLU 92 CO -0.07 0.19 -0.13 0.00 -0.73 0.00 0.00 179.01 178.28 2jmh h ALA 93 N 1.15 0.23 -0.44 2.92 0.00 -0.27 -0.41 119.26 122.44 2jmh h ALA 93 Ca 0.12 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2jmh h ALA 93 Cb 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jmh h ALA 93 CO -0.08 -0.48 0.04 1.96 0.00 0.00 0.00 179.25 180.69 2jmh h GLN 94 N -0.03 0.69 0.18 0.00 4.20 -0.94 -1.56 115.11 117.65 2jmh h GLN 94 Ca 0.20 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jmh h GLN 94 Cb 0.34 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jmh h GLN 94 CO -0.44 0.68 -0.12 1.15 -0.67 0.00 0.00 178.83 179.43 2jmh h THR 95 N 0.66 0.73 -0.47 -0.54 2.02 0.27 0.23 112.91 115.82 2jmh h THR 95 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 2jmh h THR 95 Cb 0.35 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2jmh h THR 95 CO 0.01 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.93 2jmh h LEU 96 N -0.30 0.72 -0.55 2.58 3.38 -1.12 -1.76 115.31 118.27 2jmh h LEU 96 Ca -0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jmh h LEU 96 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jmh h LEU 96 CO 0.00 0.78 0.33 -1.28 0.09 0.00 0.00 178.44 178.36 2jmh h SER 97 N 0.63 0.66 -0.25 -0.43 0.87 -1.11 -1.24 113.55 112.68 2jmh h SER 97 Ca 0.14 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2jmh h SER 97 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jmh h SER 97 CO 0.00 0.52 0.12 0.11 -0.53 0.00 0.00 176.83 177.06 2jmh h LYS 98 N 0.73 0.36 0.47 2.24 1.57 -0.40 0.21 116.57 121.75 2jmh h LYS 98 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2jmh h LYS 98 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2jmh h LYS 98 CO -0.04 0.35 -0.33 0.82 -0.57 0.00 0.00 179.45 179.68 2jmh h ILE 99 N 0.27 0.33 -0.13 1.86 2.04 -1.09 -0.87 117.51 119.92 2jmh h ILE 99 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2jmh h ILE 99 Cb 0.11 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2jmh h ILE 99 CO -0.01 0.00 0.09 0.17 0.00 0.00 0.00 178.15 178.39 2jmh h LEU 100 N -0.78 0.09 -0.19 1.44 8.10 -1.20 -1.80 115.31 120.98 2jmh h LEU 100 Ca -0.05 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.90 2jmh h LEU 100 Cb 0.65 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2jmh h LEU 100 CO 0.03 0.07 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.34 2jmh h LEU 101 N 0.11 0.34 0.09 0.17 3.38 -0.36 -0.79 115.31 118.25 2jmh h LEU 101 Ca 0.05 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jmh h LEU 101 Cb 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jmh h LEU 101 CO -0.01 0.59 -0.05 0.50 0.09 0.00 0.00 178.44 179.57 2jmh h LYS 102 N 0.09 -0.12 -0.31 1.13 3.64 -0.59 -1.29 116.57 119.12 2jmh h LYS 102 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jmh h LYS 102 Cb 0.43 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2jmh h LYS 102 CO 0.01 0.06 0.10 0.22 -2.27 0.00 0.00 179.45 177.57 2jmh h ASP 103 N -0.29 0.09 -0.25 4.20 1.82 -1.37 -1.63 116.42 118.99 2jmh h ASP 103 Ca -0.01 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2jmh h ASP 103 Cb 0.24 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 2jmh h ASP 103 CO 0.02 0.09 0.06 0.25 -1.61 0.00 0.00 179.24 178.05 2jmh h LEU 104 N 0.22 0.03 -0.13 2.28 5.85 -1.07 -1.47 115.31 121.02 2jmh h LEU 104 Ca 0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2jmh h LEU 104 Cb 0.12 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2jmh h LEU 104 CO -0.15 0.05 -0.16 0.11 -0.34 0.00 0.00 178.44 177.95 2jmh h LYS 105 N 0.16 -0.19 -0.51 1.25 1.57 -0.86 -1.22 116.57 116.77 2jmh h LYS 105 Ca 0.11 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2jmh h LYS 105 Cb 0.11 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 2jmh h LYS 105 CO -0.14 -0.12 0.17 1.49 -0.57 0.00 0.00 179.45 180.27 2jmh h GLU 106 N -0.19 0.33 -0.15 3.15 4.81 -1.01 -1.49 114.58 120.03 2jmh h GLU 106 Ca 0.10 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2jmh h GLU 106 Cb 0.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2jmh h GLU 106 CO -0.25 0.22 -0.07 1.15 -0.73 0.00 0.00 179.01 179.33 2jmh h THR 107 N 0.34 0.76 -0.39 0.32 2.02 -0.68 -1.51 112.91 113.77 2jmh h THR 107 Ca 0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.48 2jmh h THR 107 Cb 0.28 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2jmh h THR 107 CO -0.26 0.00 0.11 -0.08 0.37 0.00 0.00 175.52 175.65 2jmh h GLU 108 N -0.06 0.24 0.04 6.66 4.57 -0.72 -1.48 114.58 123.83 2jmh h GLU 108 Ca 0.08 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2jmh h GLU 108 Cb 0.18 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 2jmh h GLU 108 CO -0.19 0.16 -0.24 1.96 -1.18 0.00 0.00 179.01 179.52 2jmh h GLN 109 N 0.25 -0.38 -0.46 1.92 4.20 -0.86 -1.05 115.11 118.73 2jmh h GLN 109 Ca 0.19 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.00 2jmh h GLN 109 Cb 0.20 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 2jmh h GLN 109 CO -0.22 -0.25 0.04 -0.22 -0.67 0.00 0.00 178.83 177.50 2jmh h LYS 110 N -0.40 0.15 -0.33 1.46 3.64 -0.95 -0.68 116.57 119.47 2jmh h LYS 110 Ca 0.05 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2jmh h LYS 110 Cb 0.46 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2jmh h LYS 110 CO -0.19 0.10 0.04 0.28 -2.27 0.00 0.00 179.45 177.41 2jmh h VAL 111 N 0.15 0.80 -0.45 2.00 2.07 -0.82 -1.14 116.25 118.86 2jmh h VAL 111 Ca 0.23 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 2jmh h VAL 111 Cb 0.32 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2jmh h VAL 111 CO -0.35 0.03 0.27 0.11 0.02 0.00 0.00 177.57 177.65 2jmh h LYS 112 N 0.14 0.60 -0.37 1.57 1.57 -0.44 -2.42 116.57 117.22 2jmh h LYS 112 Ca 0.16 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2jmh h LYS 112 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2jmh h LYS 112 CO -0.23 0.42 0.03 0.22 -0.57 0.00 0.00 179.45 179.32 2jmh h ASP 113 N 0.61 0.61 -3.14 0.86 3.58 0.01 -3.44 116.42 115.51 2jmh h ASP 113 Ca 0.16 -0.28 -0.56 0.00 0.42 0.00 0.00 57.03 56.77 2jmh h ASP 113 Cb -0.03 -0.16 0.10 0.00 1.72 0.00 0.00 39.33 40.96 2jmh h ASP 113 CO -0.03 0.74 0.63 -0.38 -2.88 0.00 0.00 179.24 177.32 2jmh n ILE 114 N -4.52 1.47 -4.64 2.25 -0.00 -0.60 -4.99 119.36 108.33 2jmh n ILE 114 Ca -0.01 -0.37 -0.34 0.00 -0.00 0.00 0.00 62.75 62.03 2jmh n ILE 114 Cb 0.25 -1.64 -0.12 0.00 -0.00 0.00 0.00 39.64 38.13 2jmh n ILE 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jmh s GLN 115 N -1.15 2.80 0.29 0.38 -2.07 -1.26 -4.99 119.66 113.66 2jmh s GLN 115 Ca 0.61 -0.56 -0.02 0.00 -1.82 0.00 0.00 55.36 53.57 2jmh s GLN 115 Cb -0.57 -2.59 0.01 0.00 -1.09 0.00 0.00 33.01 28.76 2jmh s GLN 115 CO 0.56 0.62 0.42 0.25 -1.32 0.00 0.00 175.29 175.82 2jmh n THR 116 N 2.35 0.00 0.95 3.63 -2.24 -1.26 -4.88 114.28 112.82 2jmh n THR 116 Ca -0.18 -1.43 0.11 0.00 -2.27 0.00 0.00 64.05 60.29 2jmh n THR 116 Cb 0.53 0.90 0.09 0.00 -2.10 0.00 0.00 70.33 69.75 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50