#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh n GLU 2 N 0.00 0.00 -2.97 -1.09 1.02 -1.26 -5.08 120.64 111.26 2jmh n GLU 2 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2jmh n GLU 2 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 31.44 31.35 2jmh n GLU 2 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jmh s HIS 3 N -0.69 3.37 0.24 -0.32 2.46 -1.26 -5.09 115.29 114.01 2jmh s HIS 3 Ca 0.00 1.31 0.12 0.00 0.47 0.00 0.00 55.06 56.96 2jmh s HIS 3 Cb 0.00 -2.62 -0.05 0.00 -0.13 0.00 0.00 32.58 29.78 2jmh s HIS 3 CO 0.00 -0.01 -0.22 -1.59 -2.47 0.00 0.00 174.74 170.45 2jmh s LYS 4 N -3.21 1.62 0.76 2.88 -2.85 -1.26 -5.14 119.74 112.53 2jmh s LYS 4 Ca 0.56 -1.67 -0.11 0.00 -1.00 0.00 0.00 55.97 53.75 2jmh s LYS 4 Cb -0.10 -1.80 0.05 0.00 -2.06 0.00 0.00 37.83 33.92 2jmh s LYS 4 CO 0.19 0.36 1.09 -1.25 0.10 0.00 0.00 175.35 175.84 2jmh s PRO 5 N -3.17 2.33 -0.19 1.78 0.04 -1.26 -5.08 135.00 129.46 2jmh s PRO 5 Ca 0.26 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 2jmh s PRO 5 Cb -0.06 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.63 2jmh s PRO 5 CO 0.13 -1.59 0.58 -1.59 0.04 0.00 0.00 177.00 174.58 2jmh s LYS 6 N -4.77 0.73 0.00 4.56 -2.85 -1.26 -5.17 119.74 110.97 2jmh s LYS 6 Ca 0.62 0.70 -0.28 0.00 -1.00 0.00 0.00 55.97 56.01 2jmh s LYS 6 Cb -0.18 0.35 0.09 0.00 -2.06 0.00 0.00 37.83 36.04 2jmh s LYS 6 CO 0.54 -0.11 0.79 -1.59 0.10 0.00 0.00 175.35 175.07 2jmh s LYS 7 N 0.06 0.95 -1.62 1.78 0.00 -1.26 -4.94 119.74 114.70 2jmh s LYS 7 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 55.97 55.80 2jmh s LYS 7 Cb -0.04 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.23 2jmh s LYS 7 CO 0.02 -0.37 0.00 -3.47 0.00 0.00 0.00 175.35 171.53 2jmh n ASP 8 N 0.13 -5.15 -0.07 0.03 -0.08 -1.26 -4.85 116.55 105.29 2jmh n ASP 8 Ca -0.13 0.14 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 2jmh n ASP 8 Cb 0.61 -4.37 -0.12 0.00 2.34 0.00 0.00 41.12 39.58 2jmh n ASP 8 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jmh n ASP 9 N -1.76 1.99 -4.68 1.67 5.75 -1.26 -4.90 116.55 113.36 2jmh n ASP 9 Ca -0.21 0.27 -0.49 0.00 -0.01 0.00 0.00 54.79 54.35 2jmh n ASP 9 Cb 0.65 -0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 39.84 2jmh n ASP 9 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2jmh n PHE 10 N -3.92 2.25 -3.16 2.11 3.72 -1.26 -4.91 117.46 112.29 2jmh n PHE 10 Ca -0.37 0.14 -0.45 0.00 -0.05 0.00 0.00 57.45 56.72 2jmh n PHE 10 Cb 0.88 -2.60 -0.03 0.00 -0.94 0.00 0.00 39.48 36.79 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jmh s ARG 11 N 3.23 3.37 -0.54 -1.08 0.52 -1.26 -5.01 118.95 118.17 2jmh s ARG 11 Ca 0.90 -1.86 -0.20 0.00 -0.52 0.00 0.00 55.73 54.05 2jmh s ARG 11 Cb -0.75 -4.48 0.07 0.00 0.52 0.00 0.00 34.95 30.30 2jmh s ARG 11 CO 0.50 -1.49 0.72 1.21 0.02 0.00 0.00 175.30 176.26 2jmh s ASN 12 N 3.11 6.23 0.18 0.23 2.47 -1.26 -5.04 114.94 120.86 2jmh s ASN 12 Ca 0.18 -0.95 0.10 0.00 0.42 0.00 0.00 52.86 52.61 2jmh s ASN 12 Cb -0.15 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.28 2jmh s ASN 12 CO -0.03 -1.04 -0.15 -1.83 -3.72 0.00 0.00 177.10 170.33 2jmh s GLU 13 N 2.96 1.85 -1.01 0.43 -1.05 -1.26 -5.04 118.70 115.59 2jmh s GLU 13 Ca 0.17 -1.35 -0.05 0.00 -0.15 0.00 0.00 54.97 53.59 2jmh s GLU 13 Cb -0.19 -2.05 0.09 0.00 -0.44 0.00 0.00 34.13 31.54 2jmh s GLU 13 CO 0.12 0.43 2.55 0.34 0.95 0.00 0.00 175.26 179.64 2jmh n PHE 14 N 0.17 2.20 0.12 4.83 7.35 -1.26 -4.72 117.46 126.16 2jmh n PHE 14 Ca -0.12 -2.50 -0.13 0.00 -0.76 0.00 0.00 57.45 53.94 2jmh n PHE 14 Cb 0.55 -1.68 -0.06 0.00 0.35 0.00 0.00 39.48 38.64 2jmh n PHE 14 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2jmh h ASP 15 N 4.03 -0.89 -5.88 -2.13 2.03 -2.00 -3.46 116.42 108.11 2jmh h ASP 15 Ca 0.59 0.10 -0.40 0.00 -0.73 0.00 0.00 57.03 56.59 2jmh h ASP 15 Cb 0.47 0.33 0.13 0.00 -0.83 0.00 0.00 39.33 39.43 2jmh h ASP 15 CO 1.25 -0.40 -0.69 1.57 -1.03 0.00 0.00 179.24 179.93 2jmh n HIS 16 N -5.41 -2.80 -4.28 4.15 -0.00 -1.26 -5.00 115.22 100.62 2jmh n HIS 16 Ca -0.07 1.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.89 2jmh n HIS 16 Cb 0.32 -4.95 -0.12 0.00 -0.12 0.00 0.00 29.99 25.12 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 -7.25 2.35 0.02 0.27 2.96 -1.26 -5.06 118.68 110.70 2jmh s LEU 17 Ca 0.56 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 2jmh s LEU 17 Cb -0.25 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.58 2jmh s LEU 17 CO 0.74 -0.00 1.18 -0.07 -1.32 0.00 0.00 176.35 176.88 2jmh h LEU 18 N 3.81 -0.39 -0.68 -0.68 3.38 -1.99 -0.97 115.31 117.80 2jmh h LEU 18 Ca -0.44 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.68 2jmh h LEU 18 Cb 1.19 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 2jmh h LEU 18 CO 0.44 -0.24 0.22 0.40 0.09 0.00 0.00 178.44 179.34 2jmh h ILE 19 N -0.38 0.65 -0.20 1.22 1.08 -1.98 -0.47 117.51 117.42 2jmh h ILE 19 Ca -0.03 -0.12 0.06 0.00 -0.39 0.00 0.00 64.86 64.37 2jmh h ILE 19 Cb 0.31 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.25 2jmh h ILE 19 CO 0.03 0.06 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.98 2jmh h GLU 20 N 0.35 -0.27 -0.59 2.37 4.39 -1.96 0.27 114.58 119.14 2jmh h GLU 20 Ca 0.37 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 2jmh h GLU 20 Cb 0.55 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2jmh h GLU 20 CO -0.41 -0.18 0.27 0.37 -1.16 0.00 0.00 179.01 177.90 2jmh h GLN 21 N -0.28 0.84 -0.33 2.33 4.15 -0.33 -1.43 115.11 120.06 2jmh h GLN 21 Ca 0.12 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2jmh h GLN 21 Cb 0.47 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2jmh h GLN 21 CO -0.36 0.66 0.05 0.00 -1.93 0.00 0.00 178.83 177.25 2jmh h ALA 22 N 1.46 0.43 -0.58 3.38 0.00 0.16 -0.52 119.26 123.59 2jmh h ALA 22 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jmh h ALA 22 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jmh h ALA 22 CO -0.02 0.13 0.16 -0.91 0.00 0.00 0.00 179.25 178.60 2jmh h ASN 23 N 0.37 0.87 -0.64 0.00 2.35 -0.21 -0.93 115.58 117.38 2jmh h ASN 23 Ca 0.10 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 2jmh h ASN 23 Cb 0.35 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2jmh h ASN 23 CO 0.01 0.86 0.07 -0.74 -1.65 0.00 0.00 177.43 175.98 2jmh h HIS 24 N 0.83 1.16 0.06 1.19 2.76 -1.17 0.37 115.15 120.35 2jmh h HIS 24 Ca 0.18 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2jmh h HIS 24 Cb 0.32 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2jmh h HIS 24 CO 0.02 0.99 -0.03 0.00 -1.30 0.00 0.00 177.93 177.62 2jmh h ALA 25 N 1.02 -0.07 -0.12 5.26 0.00 -0.89 -1.52 119.26 122.94 2jmh h ALA 25 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 25 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jmh h ALA 25 CO 0.02 -0.40 -0.19 -0.84 0.00 0.00 0.00 179.25 177.84 2jmh h ILE 26 N -0.36 1.19 0.57 0.00 3.07 -1.14 -0.82 117.51 120.02 2jmh h ILE 26 Ca -0.01 -0.89 -0.03 0.00 1.55 0.00 0.00 64.86 65.49 2jmh h ILE 26 Cb 0.32 1.32 0.01 0.00 -0.27 0.00 0.00 36.82 38.19 2jmh h ILE 26 CO 0.01 0.27 -0.27 -0.33 -1.05 0.00 0.00 178.15 176.78 2jmh h GLU 27 N 0.18 -0.74 -0.78 0.16 5.08 -0.79 0.82 114.58 118.51 2jmh h GLU 27 Ca 0.03 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2jmh h GLU 27 Cb 0.44 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2jmh h GLU 27 CO 0.03 -0.44 0.51 -0.22 -1.00 0.00 0.00 179.01 177.88 2jmh h LYS 28 N -1.12 0.98 -0.30 2.33 3.11 -1.25 -1.14 116.57 119.18 2jmh h LYS 28 Ca -0.08 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.61 2jmh h LYS 28 Cb 0.63 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2jmh h LYS 28 CO 0.13 0.65 -0.22 0.78 -2.81 0.00 0.00 179.45 177.98 2jmh h GLY 29 N 1.01 0.61 1.20 5.01 0.00 -1.18 -1.31 103.07 108.40 2jmh h GLY 29 Ca 0.30 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 2jmh h GLY 29 CO -0.09 0.45 -0.33 -2.09 0.00 0.00 0.00 176.54 174.48 2jmh h GLU 30 N 0.50 0.89 0.16 4.80 4.81 -0.25 -0.56 114.58 124.93 2jmh h GLU 30 Ca 0.08 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2jmh h GLU 30 Cb 0.66 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2jmh h GLU 30 CO 0.05 1.09 -0.08 0.45 -0.73 0.00 0.00 179.01 179.78 2jmh h HIS 31 N 0.74 -0.20 -0.65 0.92 3.86 -1.09 -1.01 115.15 117.72 2jmh h HIS 31 Ca 0.07 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2jmh h HIS 31 Cb 0.91 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 2jmh h HIS 31 CO 0.05 0.21 0.40 -0.56 0.86 0.00 0.00 177.93 178.90 2jmh h GLN 32 N -0.72 0.88 -0.08 2.45 -0.00 -1.30 -1.59 115.11 114.75 2jmh h GLN 32 Ca -0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 2jmh h GLN 32 Cb 0.51 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.48 27.80 2jmh h GLN 32 CO 0.04 0.61 -0.04 1.25 -0.00 0.00 0.00 178.83 180.69 2jmh h LEU 33 N 0.90 0.17 -0.79 0.06 7.12 -1.11 -0.20 115.31 121.46 2jmh h LEU 33 Ca 0.24 -0.42 0.06 0.00 0.13 0.00 0.00 57.88 57.88 2jmh h LEU 33 Cb -0.05 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 39.97 2jmh h LEU 33 CO -0.05 0.55 0.48 -0.07 -0.13 0.00 0.00 178.44 179.23 2jmh h LEU 34 N -0.21 0.76 -0.27 2.25 3.38 -0.89 0.40 115.31 120.73 2jmh h LEU 34 Ca 0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2jmh h LEU 34 Cb 0.49 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jmh h LEU 34 CO 0.01 0.49 -0.31 0.22 0.09 0.00 0.00 178.44 178.94 2jmh h TYR 35 N 0.89 0.84 -0.02 1.13 5.03 -1.27 -3.03 116.97 120.54 2jmh h TYR 35 Ca 0.34 -0.26 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 2jmh h TYR 35 Cb 0.14 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 2jmh h TYR 35 CO -0.04 1.01 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.59 2jmh h LEU 36 N 0.43 0.03 -1.21 2.82 4.07 -0.53 -2.51 115.31 118.41 2jmh h LEU 36 Ca 0.04 -0.01 0.19 0.00 0.08 0.00 0.00 57.88 58.19 2jmh h LEU 36 Cb 0.89 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.53 2jmh h LEU 36 CO 0.08 0.19 0.61 -0.61 -1.08 0.00 0.00 178.44 177.63 2jmh h GLN 37 N 0.03 0.62 0.38 1.13 4.15 -0.80 -1.27 115.11 119.34 2jmh h GLN 37 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 37 Cb 0.29 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2jmh h GLN 37 CO 0.02 0.41 -0.18 0.45 -1.93 0.00 0.00 178.83 177.60 2jmh h HIS 38 N 0.64 -0.47 -0.61 3.99 3.86 -1.57 -1.08 115.15 119.91 2jmh h HIS 38 Ca 0.54 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.84 2jmh h HIS 38 Cb 1.00 0.16 -0.08 0.00 1.06 0.00 0.00 27.41 29.55 2jmh h HIS 38 CO -0.00 -0.20 0.19 1.96 0.86 0.00 0.00 177.93 180.75 2jmh h GLN 39 N -0.68 0.34 -0.16 2.45 1.08 -1.43 -1.27 115.11 115.45 2jmh h GLN 39 Ca -0.05 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2jmh h GLN 39 Cb 0.48 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2jmh h GLN 39 CO 0.08 0.23 0.10 1.25 -0.95 0.00 0.00 178.83 179.54 2jmh h LEU 40 N 0.35 0.20 -0.66 1.46 5.85 -1.20 0.44 115.31 121.75 2jmh h LEU 40 Ca 0.31 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.09 2jmh h LEU 40 Cb 0.42 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2jmh h LEU 40 CO -0.34 0.18 0.29 -0.78 -0.34 0.00 0.00 178.44 177.44 2jmh h ASP 41 N 0.20 0.34 0.27 1.25 3.58 -0.41 0.11 116.42 121.75 2jmh h ASP 41 Ca 0.06 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2jmh h ASP 41 Cb 0.01 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2jmh h ASP 41 CO -0.01 0.19 -0.49 -0.08 -2.88 0.00 0.00 179.24 175.97 2jmh h GLU 42 N 0.50 0.26 -0.01 0.28 4.81 -0.96 -2.92 114.58 116.54 2jmh h GLU 42 Ca 0.33 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2jmh h GLU 42 Cb 0.39 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2jmh h GLU 42 CO -0.29 0.69 -0.51 1.25 -0.73 0.00 0.00 179.01 179.42 2jmh h LEU 43 N 0.21 0.04 -1.02 1.64 7.12 0.58 0.07 115.31 123.94 2jmh h LEU 43 Ca 0.01 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.06 2jmh h LEU 43 Cb 0.94 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.99 2jmh h LEU 43 CO 0.08 0.54 0.65 0.78 -0.13 0.00 0.00 178.44 180.36 2jmh h ASN 44 N 0.03 1.05 0.03 1.25 2.35 -0.65 0.30 115.58 119.94 2jmh h ASN 44 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 2jmh h ASN 44 Cb 0.92 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2jmh h ASN 44 CO 0.07 0.69 -1.45 -0.08 -1.65 0.00 0.00 177.43 175.01 2jmh h GLU 45 N 1.20 0.07 -0.70 0.81 4.57 -1.60 -3.36 114.58 115.56 2jmh h GLU 45 Ca 0.42 -0.12 0.09 0.00 -1.18 0.00 0.00 59.36 58.57 2jmh h GLU 45 Cb 0.12 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2jmh h GLU 45 CO -0.16 1.06 0.46 -0.91 -1.18 0.00 0.00 179.01 178.28 2jmh h ASN 46 N -0.72 0.55 -4.83 1.04 4.21 -0.94 -3.45 115.58 111.44 2jmh h ASN 46 Ca -0.37 0.01 -0.35 0.00 1.21 0.00 0.00 56.30 56.81 2jmh h ASN 46 Cb 1.50 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 38.56 2jmh h ASN 46 CO -0.13 0.33 -0.50 1.17 -1.29 0.00 0.00 177.43 177.01 2jmh n LYS 47 N -4.49 -3.35 -2.47 0.81 3.00 0.10 -4.90 118.16 106.88 2jmh n LYS 47 Ca 0.11 0.59 -0.42 0.00 -0.00 0.00 0.00 58.31 58.59 2jmh n LYS 47 Cb 0.32 -5.30 -0.03 0.00 0.00 0.00 0.00 35.03 30.03 2jmh n LYS 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jmh s SER 48 N -2.53 7.13 0.20 3.14 0.15 -1.26 -4.79 113.70 115.75 2jmh s SER 48 Ca 0.27 1.97 -0.09 0.00 0.70 0.00 0.00 55.95 58.80 2jmh s SER 48 Cb -0.14 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.73 2jmh s SER 48 CO 0.34 -0.43 1.76 0.07 1.20 0.00 0.00 173.24 176.18 2jmh h LYS 49 N 6.74 1.12 0.18 5.44 2.10 -1.90 -0.30 116.57 129.95 2jmh h LYS 49 Ca -0.42 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.02 2jmh h LYS 49 Cb 1.21 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2jmh h LYS 49 CO 0.80 0.92 -0.08 0.93 -2.00 0.00 0.00 179.45 180.02 2jmh h GLU 50 N 1.08 -0.23 -0.83 0.07 5.08 -1.92 -1.27 114.58 116.57 2jmh h GLU 50 Ca 0.25 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 2jmh h GLU 50 Cb 0.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2jmh h GLU 50 CO -0.02 0.18 0.54 1.25 -1.00 0.00 0.00 179.01 179.96 2jmh h LEU 51 N -0.74 0.71 0.34 1.33 5.85 -1.96 -0.22 115.31 120.61 2jmh h LEU 51 Ca -0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jmh h LEU 51 Cb 0.51 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jmh h LEU 51 CO 0.04 0.42 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.78 2jmh h GLN 52 N 0.78 -0.44 -0.57 1.25 4.15 -1.04 -1.03 115.11 118.21 2jmh h GLN 52 Ca 0.39 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.99 2jmh h GLN 52 Cb 0.45 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2jmh h GLN 52 CO -0.16 -0.12 0.41 0.93 -1.93 0.00 0.00 178.83 177.97 2jmh h GLU 53 N -0.93 0.05 0.10 1.69 5.08 -0.92 0.62 114.58 120.27 2jmh h GLU 53 Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jmh h GLU 53 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jmh h GLU 53 CO 0.08 0.03 -0.05 0.87 -1.00 0.00 0.00 179.01 178.94 2jmh h LYS 54 N 0.05 -0.13 0.09 2.33 1.79 -0.99 -2.76 116.57 116.95 2jmh h LYS 54 Ca 0.27 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.77 2jmh h LYS 54 Cb 1.02 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2jmh h LYS 54 CO -0.02 0.36 -0.18 0.82 -1.08 0.00 0.00 179.45 179.35 2jmh h ILE 55 N -0.90 0.60 -0.87 1.86 2.04 -0.57 -1.24 117.51 118.43 2jmh h ILE 55 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2jmh h ILE 55 Cb 0.55 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 2jmh h ILE 55 CO 0.02 0.00 0.56 -0.29 0.00 0.00 0.00 178.15 178.44 2jmh h ILE 56 N -0.34 0.86 0.24 -0.67 2.10 -1.04 0.25 117.51 118.92 2jmh h ILE 56 Ca 0.03 -0.24 -0.01 0.00 1.08 0.00 0.00 64.86 65.72 2jmh h ILE 56 Cb 0.36 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.20 2jmh h ILE 56 CO -0.10 0.13 -0.12 0.03 -1.08 0.00 0.00 178.15 177.01 2jmh h ARG 57 N 0.69 -0.31 -0.36 2.19 -0.00 -1.07 0.14 114.38 115.67 2jmh h ARG 57 Ca 0.43 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.91 2jmh h ARG 57 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.69 2jmh h ARG 57 CO -0.19 -0.03 0.16 0.93 0.00 0.00 0.00 179.97 180.85 2jmh h GLU 58 N -0.59 0.52 -0.08 0.04 5.08 -0.65 -1.50 114.58 117.40 2jmh h GLU 58 Ca -0.03 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2jmh h GLU 58 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 58 CO 0.05 0.49 -0.19 1.25 -1.00 0.00 0.00 179.01 179.61 2jmh h LEU 59 N 0.43 0.12 0.24 1.33 5.85 -0.53 -1.03 115.31 121.72 2jmh h LEU 59 Ca 0.12 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2jmh h LEU 59 Cb 0.15 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2jmh h LEU 59 CO -0.01 0.33 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.52 2jmh h ASP 60 N 0.12 -0.28 -0.87 1.25 3.58 -0.28 0.18 116.42 120.12 2jmh h ASP 60 Ca 0.02 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 2jmh h ASP 60 Cb 0.42 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2jmh h ASP 60 CO 0.03 0.16 0.52 -0.37 -2.88 0.00 0.00 179.24 176.70 2jmh h VAL 61 N -0.78 1.24 0.41 2.25 -1.51 -1.20 0.24 116.25 116.90 2jmh h VAL 61 Ca -0.03 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 2jmh h VAL 61 Cb 0.51 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 2jmh h VAL 61 CO 0.05 0.26 -0.20 0.58 -1.23 0.00 0.00 177.57 177.03 2jmh h VAL 62 N 1.21 0.44 -0.11 7.19 2.07 -1.22 -1.69 116.25 124.15 2jmh h VAL 62 Ca 0.31 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2jmh h VAL 62 Cb -0.05 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2jmh h VAL 62 CO -0.06 0.08 0.10 0.00 0.02 0.00 0.00 177.57 177.71 2jmh h ALA 64 N 1.90 -0.43 -0.32 0.00 0.00 -0.85 -0.34 119.26 119.23 2jmh h ALA 64 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jmh h ALA 64 Cb 0.25 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jmh h ALA 64 CO -0.00 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 178.93 2jmh h MET 65 N -1.05 0.45 -0.08 0.00 -0.00 -1.03 -1.56 114.93 111.66 2jmh h MET 65 Ca -0.04 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.70 59.54 2jmh h MET 65 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2jmh h MET 65 CO 0.07 0.40 -0.20 0.82 -0.00 0.00 0.00 176.91 178.00 2jmh h ILE 66 N 0.45 1.42 -0.38 -0.10 5.03 -0.91 -0.95 117.51 122.08 2jmh h ILE 66 Ca 0.11 -1.55 0.02 0.00 -0.12 0.00 0.00 64.86 63.32 2jmh h ILE 66 Cb 0.13 2.23 -0.03 0.00 -3.03 0.00 0.00 36.82 36.12 2jmh h ILE 66 CO -0.01 0.44 0.22 -0.33 -0.68 0.00 0.00 178.15 177.78 2jmh h GLU 67 N -0.22 0.43 0.16 2.37 5.08 -0.79 0.30 114.58 121.91 2jmh h GLU 67 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jmh h GLU 67 Cb 0.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jmh h GLU 67 CO 0.04 0.28 -0.08 0.78 -1.00 0.00 0.00 179.01 179.04 2jmh h GLY 68 N 0.44 -0.22 0.92 -3.84 0.00 -1.35 0.01 103.07 99.03 2jmh h GLY 68 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2jmh h GLY 68 CO -0.08 -0.08 -0.30 0.00 0.00 0.00 0.00 176.54 176.08 2jmh h ALA 69 N 0.11 -0.79 -0.46 3.60 0.00 -1.11 -1.34 119.26 119.26 2jmh h ALA 69 Ca -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2jmh h ALA 69 Cb 0.47 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2jmh h ALA 69 CO 0.04 -0.96 0.25 0.37 0.00 0.00 0.00 179.25 178.95 2jmh h GLN 70 N -0.79 0.47 -0.15 0.00 4.15 -0.50 0.18 115.11 118.46 2jmh h GLN 70 Ca -0.07 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 70 Cb 0.63 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 2jmh h GLN 70 CO 0.09 0.31 -0.15 0.78 -1.93 0.00 0.00 178.83 177.93 2jmh h GLY 71 N 0.49 -0.05 0.96 2.39 0.00 -0.84 0.13 103.07 106.14 2jmh h GLY 71 Ca 0.20 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.63 2jmh h GLY 71 CO -0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 176.54 176.17 2jmh h ALA 72 N 0.91 0.51 -0.21 3.60 0.00 -1.00 -1.25 119.26 121.82 2jmh h ALA 72 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2jmh h ALA 72 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jmh h ALA 72 CO -0.26 0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.61 2jmh h LEU 73 N 0.51 -0.09 -0.11 0.00 6.46 -0.30 0.20 115.31 121.98 2jmh h LEU 73 Ca 0.09 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jmh h LEU 73 Cb 0.61 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2jmh h LEU 73 CO 0.04 -0.02 0.02 -0.33 -0.62 0.00 0.00 178.44 177.53 2jmh h GLU 74 N 0.06 0.18 0.00 1.25 4.39 -0.73 -1.16 114.58 118.58 2jmh h GLU 74 Ca 0.10 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jmh h GLU 74 Cb 0.13 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jmh h GLU 74 CO -0.17 0.38 -0.01 -0.09 -1.16 0.00 0.00 179.01 177.95 2jmh h ARG 75 N -0.04 0.00 0.05 2.33 9.65 -0.98 0.13 114.38 125.52 2jmh h ARG 75 Ca 0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2jmh h ARG 75 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2jmh h ARG 75 CO 0.00 0.01 -0.02 1.49 2.80 0.00 0.00 179.97 184.25 2jmh h GLU 76 N 0.00 -0.06 0.00 0.20 4.81 -0.26 -3.30 114.58 115.97 2jmh h GLU 76 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jmh h GLU 76 Cb 0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2jmh h GLU 76 CO 0.00 0.47 -0.07 1.37 -0.73 0.00 0.00 179.01 180.05 2jmh h LEU 77 N -0.95 0.00 -1.47 1.64 8.10 -0.99 -1.83 115.31 119.81 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 0.07 0.00 0.11 -4.11 0.00 0.00 178.44 174.52 2jmh h LYS 78 N 0.00 0.00 -0.60 0.17 1.79 -0.82 -2.91 116.57 114.20 2jmh h LYS 78 Ca -0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.59 2jmh h LYS 78 Cb 0.31 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.87 2jmh h LYS 78 CO 0.01 0.00 0.09 0.00 -1.08 0.00 0.00 179.45 178.47 2jmh h ARG 79 N 0.00 0.21 -3.67 3.15 2.47 -1.46 -3.43 114.38 111.65 2jmh h ARG 79 Ca 0.00 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.55 2jmh h ARG 79 Cb 0.14 -0.05 -0.21 0.00 -1.65 0.00 0.00 29.97 28.20 2jmh h ARG 79 CO 0.00 0.14 -0.57 0.95 0.56 0.00 0.00 179.97 181.05 2jmh s THR 80 N -6.12 0.09 -0.25 2.04 -4.23 -1.10 -5.06 115.64 101.01 2jmh s THR 80 Ca -0.13 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2jmh s THR 80 Cb 0.18 -0.36 0.11 0.00 1.34 0.00 0.00 72.50 73.77 2jmh s THR 80 CO 0.74 -0.41 1.00 -0.90 -0.54 0.00 0.00 174.62 174.51 2jmh n ASP 81 N 1.55 -0.98 -4.37 3.99 5.75 -1.26 -4.94 116.55 116.29 2jmh n ASP 81 Ca -0.23 -1.62 -0.46 0.00 -0.01 0.00 0.00 54.79 52.47 2jmh n ASP 81 Cb 0.55 0.74 -0.02 0.00 -1.03 0.00 0.00 41.12 41.37 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 -1.94 6.11 -0.30 -2.12 0.20 -1.26 -4.50 118.68 114.87 2jmh s LEU 82 Ca 0.05 -2.68 -0.31 0.00 0.69 0.00 0.00 54.13 51.89 2jmh s LEU 82 Cb 0.11 -2.28 0.19 0.00 -0.43 0.00 0.00 46.19 43.79 2jmh s LEU 82 CO -0.03 -0.68 1.39 0.21 -0.29 0.00 0.00 176.35 176.95 2jmh s ASN 83 N 2.48 -0.01 0.06 3.68 2.47 -1.26 -5.00 114.94 117.37 2jmh s ASN 83 Ca 0.26 0.01 -0.32 0.00 0.42 0.00 0.00 52.86 53.22 2jmh s ASN 83 Cb -0.08 0.01 -0.19 0.00 -1.45 0.00 0.00 41.25 39.54 2jmh s ASN 83 CO -0.08 -0.01 1.56 0.40 -3.72 0.00 0.00 177.10 175.25 2jmh h ILE 84 N 2.01 0.31 -0.03 -5.21 2.04 -1.98 0.24 117.51 114.89 2jmh h ILE 84 Ca -0.06 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jmh h ILE 84 Cb 1.18 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2jmh h ILE 84 CO 0.21 0.01 0.02 0.25 0.00 0.00 0.00 178.15 178.63 2jmh h LEU 85 N -0.96 0.04 -1.16 1.44 5.85 -1.99 -1.27 115.31 117.26 2jmh h LEU 85 Ca -0.09 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2jmh h LEU 85 Cb 0.71 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2jmh h LEU 85 CO 0.15 0.05 0.58 -0.33 -0.34 0.00 0.00 178.44 178.56 2jmh h GLU 86 N 0.01 1.00 -0.28 1.25 5.08 -1.92 -1.13 114.58 118.60 2jmh h GLU 86 Ca 0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2jmh h GLU 86 Cb 0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2jmh h GLU 86 CO -0.00 0.66 0.05 -0.09 -1.00 0.00 0.00 179.01 178.63 2jmh h ARG 87 N 1.03 0.46 0.56 2.33 2.43 -0.12 -0.46 114.38 120.60 2jmh h ARG 87 Ca 0.37 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2jmh h ARG 87 Cb 0.15 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2jmh h ARG 87 CO -0.13 0.57 -0.27 0.35 -1.51 0.00 0.00 179.97 178.98 2jmh h PHE 88 N 0.27 -0.69 -0.78 2.20 3.57 -0.66 0.23 116.94 121.08 2jmh h PHE 88 Ca 0.08 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2jmh h PHE 88 Cb 0.33 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 2jmh h PHE 88 CO 0.02 -0.42 0.47 -0.91 -2.23 0.00 0.00 178.31 175.24 2jmh h ASN 89 N -0.79 0.71 -0.47 0.41 -0.26 -1.25 -1.56 115.58 112.38 2jmh h ASN 89 Ca -0.08 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.63 2jmh h ASN 89 Cb 0.59 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 2jmh h ASN 89 CO 0.13 0.45 0.07 1.88 -1.06 0.00 0.00 177.43 178.90 2jmh h TYR 90 N 0.85 0.83 0.27 1.19 -1.99 -0.91 -0.56 116.97 116.65 2jmh h TYR 90 Ca 0.35 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2jmh h TYR 90 Cb 0.19 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 2jmh h TYR 90 CO -0.05 0.78 -0.25 1.49 -0.00 0.00 0.00 178.16 180.13 2jmh h GLU 91 N 0.65 -0.53 -0.29 4.88 4.81 0.11 -1.00 114.58 123.21 2jmh h GLU 91 Ca 0.14 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2jmh h GLU 91 Cb 0.40 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2jmh h GLU 91 CO 0.01 -0.35 0.16 1.49 -0.73 0.00 0.00 179.01 179.59 2jmh h GLU 92 N -0.55 0.39 -0.57 1.92 4.57 -1.29 -1.19 114.58 117.87 2jmh h GLU 92 Ca -0.01 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.24 2jmh h GLU 92 Cb 0.50 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 2jmh h GLU 92 CO -0.04 0.33 0.07 0.00 -1.18 0.00 0.00 179.01 178.18 2jmh h ALA 93 N 1.05 0.61 -0.46 2.92 0.00 -0.91 -0.60 119.26 121.88 2jmh h ALA 93 Ca 0.10 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2jmh h ALA 93 Cb 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jmh h ALA 93 CO -0.02 -0.35 -0.14 0.37 0.00 0.00 0.00 179.25 179.12 2jmh h GLN 94 N 0.19 0.86 0.06 0.00 4.15 -0.95 -1.36 115.11 118.05 2jmh h GLN 94 Ca 0.29 -0.31 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2jmh h GLN 94 Cb 0.45 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2jmh h GLN 94 CO -0.42 0.94 -0.14 1.15 -1.93 0.00 0.00 178.83 178.43 2jmh h THR 95 N 0.76 0.66 -0.43 2.39 2.02 0.11 0.18 112.91 118.60 2jmh h THR 95 Ca 0.12 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 2jmh h THR 95 Cb 0.65 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2jmh h THR 95 CO 0.05 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.83 2jmh h LEU 96 N -0.27 0.78 -0.45 2.58 3.38 -1.20 -1.84 115.31 118.29 2jmh h LEU 96 Ca 0.03 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2jmh h LEU 96 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2jmh h LEU 96 CO -0.10 0.92 0.26 0.28 0.09 0.00 0.00 178.44 179.89 2jmh h SER 97 N 0.62 0.40 0.04 -0.43 0.02 -1.00 0.40 113.55 113.60 2jmh h SER 97 Ca 0.12 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2jmh h SER 97 Cb 0.55 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2jmh h SER 97 CO 0.03 0.29 -0.02 0.50 -1.14 0.00 0.00 176.83 176.49 2jmh h LYS 98 N 0.51 -0.05 -0.76 3.45 3.64 -0.56 -1.34 116.57 121.45 2jmh h LYS 98 Ca 0.18 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2jmh h LYS 98 Cb 0.04 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2jmh h LYS 98 CO -0.10 0.13 0.45 0.82 -2.27 0.00 0.00 179.45 178.49 2jmh h ILE 99 N -0.22 1.00 0.10 2.00 2.04 -1.12 -1.36 117.51 119.94 2jmh h ILE 99 Ca -0.01 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2jmh h ILE 99 Cb 0.20 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2jmh h ILE 99 CO 0.01 0.15 -0.05 -0.07 0.00 0.00 0.00 178.15 178.19 2jmh h LEU 100 N 0.82 -0.11 -0.80 1.44 3.38 -0.78 -1.52 115.31 117.75 2jmh h LEU 100 Ca 0.34 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2jmh h LEU 100 Cb 0.19 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2jmh h LEU 100 CO -0.18 0.03 0.43 -0.07 0.09 0.00 0.00 178.44 178.74 2jmh h LEU 101 N -0.24 0.58 0.10 1.67 4.07 -0.88 0.18 115.31 120.80 2jmh h LEU 101 Ca -0.01 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2jmh h LEU 101 Cb 0.20 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2jmh h LEU 101 CO 0.02 0.32 -0.05 0.50 -1.08 0.00 0.00 178.44 178.15 2jmh h LYS 102 N 0.70 -0.14 -0.70 1.13 3.64 -1.06 0.16 116.57 120.32 2jmh h LYS 102 Ca 0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2jmh h LYS 102 Cb 0.42 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2jmh h LYS 102 CO -0.28 0.00 0.45 -0.44 -2.27 0.00 0.00 179.45 176.92 2jmh h ASP 103 N -0.25 0.81 -0.37 4.20 3.32 -0.68 -1.43 116.42 122.03 2jmh h ASP 103 Ca -0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2jmh h ASP 103 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2jmh h ASP 103 CO 0.02 0.60 0.17 0.25 -1.72 0.00 0.00 179.24 178.56 2jmh h LEU 104 N 0.95 0.48 -0.11 1.55 6.46 -0.52 -1.25 115.31 122.87 2jmh h LEU 104 Ca 0.25 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jmh h LEU 104 Cb -0.09 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2jmh h LEU 104 CO -0.05 0.48 0.03 0.11 -0.62 0.00 0.00 178.44 178.39 2jmh h LYS 105 N 0.45 0.09 0.22 1.25 1.79 -0.65 -1.25 116.57 118.47 2jmh h LYS 105 Ca 0.13 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2jmh h LYS 105 Cb 0.13 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2jmh h LYS 105 CO -0.01 0.06 -0.19 0.93 -1.08 0.00 0.00 179.45 179.16 2jmh h GLU 106 N 0.09 -0.41 -0.28 3.15 5.08 -1.14 -1.07 114.58 119.99 2jmh h GLU 106 Ca 0.05 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2jmh h GLU 106 Cb 0.03 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 2jmh h GLU 106 CO -0.05 -0.27 -0.21 1.79 -1.00 0.00 0.00 179.01 179.26 2jmh h THR 107 N -0.43 0.43 -0.56 1.13 1.35 -1.09 -1.24 112.91 112.51 2jmh h THR 107 Ca -0.01 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.92 2jmh h THR 107 Cb 0.39 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.18 2jmh h THR 107 CO -0.02 0.00 0.25 -0.08 -0.25 0.00 0.00 175.52 175.42 2jmh h GLU 108 N -0.20 0.45 -0.09 4.72 4.81 -1.06 -1.34 114.58 121.88 2jmh h GLU 108 Ca 0.15 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2jmh h GLU 108 Cb 0.43 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2jmh h GLU 108 CO -0.39 0.30 -0.17 1.96 -0.73 0.00 0.00 179.01 179.98 2jmh h GLN 109 N 0.47 -0.22 -0.28 1.92 1.08 -0.24 -0.56 115.11 117.28 2jmh h GLN 109 Ca 0.26 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2jmh h GLN 109 Cb 0.24 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2jmh h GLN 109 CO -0.22 -0.14 0.06 0.87 -0.95 0.00 0.00 178.83 178.44 2jmh h LYS 110 N -0.22 0.16 -0.97 1.46 6.56 -0.82 0.14 116.57 122.89 2jmh h LYS 110 Ca 0.08 -0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.76 2jmh h LYS 110 Cb 0.34 -0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 31.89 2jmh h LYS 110 CO -0.23 0.11 0.60 0.28 -2.06 0.00 0.00 179.45 178.15 2jmh h VAL 111 N 0.16 0.97 0.00 0.50 2.07 -0.81 -0.17 116.25 118.97 2jmh h VAL 111 Ca 0.13 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2jmh h VAL 111 Cb 0.13 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2jmh h VAL 111 CO -0.17 0.19 -0.53 0.11 0.02 0.00 0.00 177.57 177.19 2jmh h LYS 112 N 1.01 0.00 -0.34 1.57 1.57 -0.38 -3.20 116.57 116.80 2jmh h LYS 112 Ca 0.45 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.12 2jmh h LYS 112 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jmh h LYS 112 CO -0.23 0.53 -0.24 0.22 -0.57 0.00 0.00 179.45 179.15 2jmh h ASP 113 N 0.00 0.80 -2.00 0.86 3.58 0.10 -3.43 116.42 116.33 2jmh h ASP 113 Ca -0.01 -0.44 -0.60 0.00 0.42 0.00 0.00 57.03 56.41 2jmh h ASP 113 Cb 1.14 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.97 2jmh h ASP 113 CO 0.07 1.07 1.22 -0.38 -2.88 0.00 0.00 179.24 178.34 2jmh n ILE 114 N -4.25 0.55 -2.99 2.25 -0.00 -0.55 -4.93 119.36 109.43 2jmh n ILE 114 Ca -0.03 -0.18 -0.40 0.00 -0.00 0.00 0.00 62.75 62.14 2jmh n ILE 114 Cb 0.45 -2.06 -0.04 0.00 -0.00 0.00 0.00 39.64 37.99 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 4.74 4.44 0.31 0.38 -2.07 -1.26 -5.01 119.66 121.19 2jmh s GLN 115 Ca 0.95 0.95 -0.06 0.00 -1.82 0.00 0.00 55.36 55.38 2jmh s GLN 115 Cb -0.60 -3.46 0.00 0.00 -1.09 0.00 0.00 33.01 27.86 2jmh s GLN 115 CO 0.47 0.02 0.48 0.95 -1.32 0.00 0.00 175.29 175.88 2jmh s THR 116 N 0.93 0.00 -1.24 3.63 -4.23 -1.26 -4.96 115.64 108.51 2jmh s THR 116 Ca 0.39 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2jmh s THR 116 Cb -0.18 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2jmh s THR 116 CO 0.19 0.00 0.31 1.67 -0.54 0.00 0.00 174.62 176.25