#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 1.64 0.19 -1.09 0.41 -1.26 -5.15 118.70 113.44 2jmh s GLU 2 Ca 0.00 -1.78 0.05 0.00 -0.41 0.00 0.00 54.97 52.83 2jmh s GLU 2 Cb 0.00 -1.58 -0.04 0.00 -1.78 0.00 0.00 34.13 30.73 2jmh s GLU 2 CO 0.00 0.23 0.18 -1.01 -0.49 0.00 0.00 175.26 174.18 2jmh s HIS 3 N -2.66 3.20 0.27 1.61 3.76 -1.26 -5.13 115.29 115.08 2jmh s HIS 3 Ca 0.29 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.26 2jmh s HIS 3 Cb -0.02 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 2jmh s HIS 3 CO 0.14 0.51 0.09 0.15 -0.85 0.00 0.00 174.74 174.79 2jmh s LYS 4 N -3.36 2.55 0.21 1.40 3.01 -1.26 -5.10 119.74 117.19 2jmh s LYS 4 Ca 0.32 -1.29 -0.30 0.00 -1.01 0.00 0.00 55.97 53.69 2jmh s LYS 4 Cb -0.10 -2.32 -0.09 0.00 -1.01 0.00 0.00 37.83 34.31 2jmh s LYS 4 CO 0.25 0.34 1.30 -1.25 0.51 0.00 0.00 175.35 176.50 2jmh s PRO 5 N -3.76 4.40 -0.25 -1.68 0.04 -1.26 -4.99 135.00 127.49 2jmh s PRO 5 Ca 0.33 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.15 2jmh s PRO 5 Cb -0.07 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.29 2jmh s PRO 5 CO 0.22 -0.23 0.95 0.21 0.04 0.00 0.00 177.00 178.19 2jmh s LYS 6 N -0.24 4.18 0.09 4.56 2.47 -1.26 -5.01 119.74 124.54 2jmh s LYS 6 Ca 0.56 1.11 -0.25 0.00 -1.56 0.00 0.00 55.97 55.82 2jmh s LYS 6 Cb -0.36 -3.66 0.08 0.00 -1.46 0.00 0.00 37.83 32.42 2jmh s LYS 6 CO 0.39 -0.64 0.66 0.21 0.16 0.00 0.00 175.35 176.13 2jmh s LYS 7 N 3.13 1.16 1.16 4.03 2.36 -1.26 -5.17 119.74 125.15 2jmh s LYS 7 Ca 0.40 -0.30 -0.13 0.00 -2.55 0.00 0.00 55.97 53.40 2jmh s LYS 7 Cb -0.15 0.54 0.28 0.00 -1.05 0.00 0.00 37.83 37.45 2jmh s LYS 7 CO 0.08 -0.48 1.03 0.34 1.55 0.00 0.00 175.35 177.87 2jmh s ASP 8 N -2.38 1.03 -0.25 1.43 2.15 -1.26 -5.01 116.67 112.38 2jmh s ASP 8 Ca -0.01 1.49 -0.16 0.00 0.43 0.00 0.00 52.55 54.31 2jmh s ASP 8 Cb -0.01 -2.27 -0.12 0.00 -0.30 0.00 0.00 42.92 40.22 2jmh s ASP 8 CO -0.08 -4.17 -0.25 0.47 -0.17 0.00 0.00 175.17 170.98 2jmh n ASP 9 N -4.89 1.93 -4.68 -0.34 8.00 -1.26 -4.98 116.55 110.33 2jmh n ASP 9 Ca 0.03 0.36 -0.32 0.00 0.71 0.00 0.00 54.79 55.58 2jmh n ASP 9 Cb 0.54 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.52 3.04 0.01 1.24 0.08 -1.26 -5.03 117.98 113.54 2jmh s PHE 10 Ca -0.35 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 2jmh s PHE 10 Cb 0.12 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2jmh s PHE 10 CO 0.49 0.46 -0.06 -2.13 -0.10 0.00 0.00 175.22 173.88 2jmh n ARG 11 N 1.17 0.09 -3.64 0.44 0.63 -1.26 -5.11 116.66 108.98 2jmh n ARG 11 Ca -0.13 0.04 -0.07 0.00 -0.92 0.00 0.00 57.85 56.76 2jmh n ARG 11 Cb 0.52 -0.66 -0.07 0.00 0.45 0.00 0.00 32.46 32.71 2jmh n ARG 11 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jmh s ASN 12 N -5.76 -0.42 -0.06 6.15 4.22 -1.26 -5.05 114.94 112.76 2jmh s ASN 12 Ca -0.05 0.78 0.05 0.00 -2.14 0.00 0.00 52.86 51.49 2jmh s ASN 12 Cb 0.01 0.88 -0.07 0.00 1.28 0.00 0.00 41.25 43.35 2jmh s ASN 12 CO 0.08 -0.13 0.02 -0.62 -2.04 0.00 0.00 177.10 174.40 2jmh n GLU 13 N 2.48 2.96 -0.22 3.55 4.71 -1.26 -4.59 120.64 128.27 2jmh n GLU 13 Ca -0.14 -0.00 0.17 0.00 -0.01 0.00 0.00 57.16 57.18 2jmh n GLU 13 Cb 0.56 -1.15 0.49 0.00 -1.01 0.00 0.00 31.44 30.33 2jmh n GLU 13 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 2jmh h PHE 14 N 0.00 0.56 0.15 -0.32 0.04 -2.05 -1.74 116.94 113.58 2jmh h PHE 14 Ca -0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2jmh h PHE 14 Cb 1.37 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2jmh h PHE 14 CO 0.00 0.17 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.37 2jmh h ASP 15 N 0.44 -0.18 -5.89 2.17 5.19 -2.01 -3.47 116.42 112.67 2jmh h ASP 15 Ca 0.44 -0.25 -0.38 0.00 -0.62 0.00 0.00 57.03 56.21 2jmh h ASP 15 Cb 1.02 0.05 0.11 0.00 0.18 0.00 0.00 39.33 40.68 2jmh h ASP 15 CO -0.16 0.17 -0.80 1.57 -3.12 0.00 0.00 179.24 176.90 2jmh n HIS 16 N -5.03 -2.08 -2.55 4.55 -0.00 -0.66 -4.97 115.22 104.48 2jmh n HIS 16 Ca -0.09 0.89 -0.32 0.00 0.46 0.00 0.00 57.72 58.67 2jmh n HIS 16 Cb 0.22 -4.71 -0.03 0.00 -0.12 0.00 0.00 29.99 25.35 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 -6.58 3.69 0.09 0.27 2.96 -1.26 -4.86 118.68 112.99 2jmh s LEU 17 Ca 0.05 1.43 -0.29 0.00 -0.22 0.00 0.00 54.13 55.10 2jmh s LEU 17 Cb -0.02 -4.35 -0.12 0.00 0.50 0.00 0.00 46.19 42.20 2jmh s LEU 17 CO 0.77 -0.52 1.46 0.17 -1.32 0.00 0.00 176.35 176.91 2jmh h LEU 18 N 1.04 -1.38 -1.19 -0.68 -0.00 -1.98 0.20 115.31 111.32 2jmh h LEU 18 Ca -0.47 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.54 2jmh h LEU 18 Cb 1.19 0.52 -0.03 0.00 -0.00 0.00 0.00 40.66 42.34 2jmh h LEU 18 CO 0.62 -0.44 0.28 0.40 -0.00 0.00 0.00 178.44 179.30 2jmh h ILE 19 N -0.58 1.20 0.21 0.15 1.08 -1.98 -1.47 117.51 116.12 2jmh h ILE 19 Ca 0.01 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 2jmh h ILE 19 Cb 0.61 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2jmh h ILE 19 CO -0.29 0.23 -0.20 -0.33 -0.69 0.00 0.00 178.15 176.87 2jmh h GLU 20 N 0.85 -0.43 -0.65 2.37 4.39 -1.72 0.25 114.58 119.63 2jmh h GLU 20 Ca 0.21 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 2jmh h GLU 20 Cb 0.10 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2jmh h GLU 20 CO -0.03 -0.29 0.26 0.37 -1.16 0.00 0.00 179.01 178.17 2jmh h GLN 21 N -0.45 0.97 -0.30 2.33 4.15 -0.45 -1.51 115.11 119.86 2jmh h GLN 21 Ca -0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 2jmh h GLN 21 Cb 0.41 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jmh h GLN 21 CO -0.04 0.82 0.17 0.00 -1.93 0.00 0.00 178.83 177.85 2jmh h ALA 22 N 1.11 0.38 -0.68 3.38 0.00 -0.99 -0.26 119.26 122.20 2jmh h ALA 22 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jmh h ALA 22 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jmh h ALA 22 CO -0.02 -0.10 0.33 -0.91 0.00 0.00 0.00 179.25 178.55 2jmh h ASN 23 N 0.38 0.88 -0.48 0.00 2.35 -0.35 -1.39 115.58 116.97 2jmh h ASN 23 Ca 0.11 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2jmh h ASN 23 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2jmh h ASN 23 CO -0.02 0.76 0.04 0.45 -1.65 0.00 0.00 177.43 177.01 2jmh h HIS 24 N 0.94 0.93 0.09 1.19 3.86 -1.03 -0.30 115.15 120.82 2jmh h HIS 24 Ca 0.23 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2jmh h HIS 24 Cb 0.10 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jmh h HIS 24 CO 0.00 0.82 -0.04 0.00 0.86 0.00 0.00 177.93 179.57 2jmh h ALA 25 N 1.22 -0.12 -0.32 2.45 0.00 -0.65 -1.56 119.26 120.28 2jmh h ALA 25 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jmh h ALA 25 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jmh h ALA 25 CO 0.02 -0.42 -0.02 -0.84 0.00 0.00 0.00 179.25 177.98 2jmh h ILE 26 N -0.41 1.20 0.69 0.00 3.07 -1.20 -1.30 117.51 119.56 2jmh h ILE 26 Ca -0.01 -0.81 -0.03 0.00 1.55 0.00 0.00 64.86 65.55 2jmh h ILE 26 Cb 0.35 0.98 0.01 0.00 -0.27 0.00 0.00 36.82 37.88 2jmh h ILE 26 CO 0.02 0.27 -0.33 -0.08 -1.05 0.00 0.00 178.15 176.98 2jmh h GLU 27 N 0.48 -0.89 -0.00 0.16 4.81 -0.95 -0.44 114.58 117.75 2jmh h GLU 27 Ca 0.10 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2jmh h GLU 27 Cb 0.35 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2jmh h GLU 27 CO 0.01 -0.57 -0.15 -0.22 -0.73 0.00 0.00 179.01 177.36 2jmh h LYS 28 N -1.17 -0.23 -0.78 1.92 3.64 -1.25 -1.48 116.57 117.21 2jmh h LYS 28 Ca -0.09 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2jmh h LYS 28 Cb 0.73 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 2jmh h LYS 28 CO 0.15 -0.16 0.45 0.78 -2.27 0.00 0.00 179.45 178.41 2jmh h GLY 29 N -0.24 1.19 1.00 5.01 0.00 -1.29 -1.42 103.07 107.31 2jmh h GLY 29 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jmh h GLY 29 CO -0.15 0.16 0.33 -2.09 0.00 0.00 0.00 176.54 174.79 2jmh h GLU 30 N 0.79 0.70 -0.09 4.80 4.81 -0.61 -1.21 114.58 123.76 2jmh h GLU 30 Ca 0.36 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2jmh h GLU 30 Cb 0.28 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2jmh h GLU 30 CO -0.22 0.49 0.06 1.25 -0.73 0.00 0.00 179.01 179.86 2jmh h HIS 31 N 0.70 0.12 -0.38 0.92 2.76 -0.61 -1.04 115.15 117.63 2jmh h HIS 31 Ca 0.19 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2jmh h HIS 31 Cb -0.04 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 2jmh h HIS 31 CO -0.03 0.12 0.17 1.96 -1.30 0.00 0.00 177.93 178.85 2jmh h GLN 32 N 0.09 0.35 -0.24 5.26 4.20 -1.08 -1.47 115.11 122.22 2jmh h GLN 32 Ca 0.03 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2jmh h GLN 32 Cb 0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2jmh h GLN 32 CO -0.01 0.23 0.13 1.25 -0.67 0.00 0.00 178.83 179.76 2jmh h LEU 33 N 0.36 0.19 -0.13 1.46 7.12 -1.04 0.27 115.31 123.55 2jmh h LEU 33 Ca 0.17 0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.22 2jmh h LEU 33 Cb 0.10 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.16 2jmh h LEU 33 CO -0.13 0.15 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.13 2jmh h LEU 34 N 0.27 -0.38 -0.44 2.25 3.38 -0.82 0.15 115.31 119.72 2jmh h LEU 34 Ca 0.10 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2jmh h LEU 34 Cb 0.02 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2jmh h LEU 34 CO -0.06 -0.16 0.12 0.22 0.09 0.00 0.00 178.44 178.65 2jmh h TYR 35 N -0.14 0.73 -0.04 1.13 5.03 -1.06 -2.58 116.97 120.04 2jmh h TYR 35 Ca 0.09 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2jmh h TYR 35 Cb 0.27 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 2jmh h TYR 35 CO -0.24 0.67 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.17 2jmh h LEU 36 N 0.57 0.04 -1.03 2.82 4.07 -0.05 -2.26 115.31 119.48 2jmh h LEU 36 Ca 0.14 -0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.27 2jmh h LEU 36 Cb 0.30 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.93 2jmh h LEU 36 CO -0.00 0.08 0.62 -0.61 -1.08 0.00 0.00 178.44 177.45 2jmh h GLN 37 N 0.05 0.79 0.30 1.13 4.15 -0.30 -0.93 115.11 120.31 2jmh h GLN 37 Ca 0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 37 Cb 0.08 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jmh h GLN 37 CO 0.00 0.52 -0.15 1.25 -1.93 0.00 0.00 178.83 178.53 2jmh h HIS 38 N 0.81 -0.38 -0.83 3.99 2.76 -1.50 -0.94 115.15 119.07 2jmh h HIS 38 Ca 0.55 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.84 2jmh h HIS 38 Cb 0.80 0.12 -0.09 0.00 1.55 0.00 0.00 27.41 29.80 2jmh h HIS 38 CO -0.00 -0.10 0.44 1.96 -1.30 0.00 0.00 177.93 178.92 2jmh h GLN 39 N -0.61 0.65 -0.19 5.26 1.08 -1.43 -1.23 115.11 118.64 2jmh h GLN 39 Ca -0.04 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2jmh h GLN 39 Cb 0.44 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2jmh h GLN 39 CO 0.07 0.43 0.04 1.25 -0.95 0.00 0.00 178.83 179.66 2jmh h LEU 40 N 0.66 0.29 -0.53 1.46 6.46 -1.10 0.26 115.31 122.81 2jmh h LEU 40 Ca 0.43 -0.24 0.08 0.00 -0.12 0.00 0.00 57.88 58.04 2jmh h LEU 40 Cb 0.55 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.34 2jmh h LEU 40 CO -0.32 0.45 0.16 -0.78 -0.62 0.00 0.00 178.44 177.33 2jmh h ASP 41 N 0.11 0.12 0.84 1.25 3.58 -0.27 0.17 116.42 122.21 2jmh h ASP 41 Ca 0.06 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.44 2jmh h ASP 41 Cb 0.28 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2jmh h ASP 41 CO 0.00 0.09 -0.68 1.05 -2.88 0.00 0.00 179.24 176.82 2jmh h GLU 42 N 0.32 0.00 -0.02 0.28 4.11 -1.16 -3.13 114.58 114.99 2jmh h GLU 42 Ca 0.26 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.58 2jmh h GLU 42 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jmh h GLU 42 CO -0.30 0.68 -0.52 1.25 0.07 0.00 0.00 179.01 180.18 2jmh h LEU 43 N 0.00 0.05 -0.83 3.06 5.85 0.78 0.20 115.31 124.42 2jmh h LEU 43 Ca -0.01 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.78 2jmh h LEU 43 Cb 1.28 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 2jmh h LEU 43 CO 0.09 0.56 0.48 -1.13 -0.34 0.00 0.00 178.44 178.10 2jmh h ASN 44 N 0.03 0.71 0.03 1.25 -0.73 -0.65 0.30 115.58 116.53 2jmh h ASN 44 Ca -0.00 0.04 -0.27 0.00 1.87 0.00 0.00 56.30 57.93 2jmh h ASN 44 Cb 0.94 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.40 2jmh h ASN 44 CO 0.07 0.42 -1.49 -0.62 -0.37 0.00 0.00 177.43 175.44 2jmh n GLU 45 N -4.71 0.62 -0.24 6.67 1.02 -1.17 -4.21 120.64 118.62 2jmh n GLU 45 Ca 0.13 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.88 2jmh n GLU 45 Cb 0.25 -1.73 0.40 0.00 -0.02 0.00 0.00 31.44 30.34 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 -4.40 1.62 -0.73 -0.91 -3.45 115.58 107.59 2jmh h ASN 46 Ca -0.38 0.03 -0.26 0.00 1.87 0.00 0.00 56.30 57.56 2jmh h ASN 46 Cb 1.50 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.97 2jmh h ASN 46 CO -0.14 0.32 -0.36 0.29 -0.37 0.00 0.00 177.43 177.17 2jmh n LYS 47 N -4.53 -2.68 -2.29 6.67 4.76 0.11 -4.87 118.16 115.32 2jmh n LYS 47 Ca 0.16 0.52 -0.42 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 47 Cb 0.45 -5.14 -0.03 0.00 -1.84 0.00 0.00 35.03 28.47 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 -2.23 6.92 0.29 4.39 0.01 -1.26 -4.80 113.70 117.01 2jmh s SER 48 Ca 0.12 2.04 -0.01 0.00 1.31 0.00 0.00 55.95 59.40 2jmh s SER 48 Cb -0.06 -2.56 0.42 0.00 0.21 0.00 0.00 66.02 64.02 2jmh s SER 48 CO 0.15 -0.67 1.85 0.07 0.41 0.00 0.00 173.24 175.05 2jmh h LYS 49 N 7.62 0.86 -0.07 12.44 -0.00 -1.90 -0.19 116.57 135.34 2jmh h LYS 49 Ca -0.37 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.65 60.08 2jmh h LYS 49 Cb 1.18 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2jmh h LYS 49 CO 0.89 0.73 -0.15 1.05 -0.00 0.00 0.00 179.45 181.98 2jmh h GLU 50 N 0.84 0.23 -0.54 0.07 4.11 -1.93 -1.53 114.58 115.84 2jmh h GLU 50 Ca 0.19 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 2jmh h GLU 50 Cb 0.22 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2jmh h GLU 50 CO -0.01 0.74 0.23 1.25 0.07 0.00 0.00 179.01 181.29 2jmh h LEU 51 N -0.25 0.69 0.05 3.06 5.85 -1.93 -0.52 115.31 122.27 2jmh h LEU 51 Ca 0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jmh h LEU 51 Cb 0.73 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2jmh h LEU 51 CO 0.03 0.61 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.11 2jmh h GLN 52 N 0.76 -0.07 -0.04 1.25 -0.00 -1.03 -1.06 115.11 114.92 2jmh h GLN 52 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 2jmh h GLN 52 Cb 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.62 2jmh h GLN 52 CO -0.02 0.42 -0.00 0.93 0.00 0.00 0.00 178.83 180.16 2jmh h GLU 53 N -0.60 0.06 0.03 1.69 5.08 -1.13 -0.28 114.58 119.43 2jmh h GLU 53 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 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 0.01 0.07 -0.02 0.87 -1.00 0.00 0.00 179.01 178.95 2jmh h LYS 54 N 0.06 -0.04 0.26 2.33 1.79 -1.05 -2.77 116.57 117.15 2jmh h LYS 54 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2jmh h LYS 54 Cb 0.05 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2jmh h LYS 54 CO 0.00 0.62 -0.15 0.82 -1.08 0.00 0.00 179.45 179.67 2jmh h ILE 55 N -0.79 0.69 -0.81 1.86 2.04 -0.93 -1.40 117.51 118.18 2jmh h ILE 55 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2jmh h ILE 55 Cb 0.68 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2jmh h ILE 55 CO 0.01 0.00 0.53 -0.29 0.00 0.00 0.00 178.15 178.40 2jmh h ILE 56 N -0.38 0.83 0.23 -0.67 6.09 -1.19 0.26 117.51 122.68 2jmh h ILE 56 Ca -0.03 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 2jmh h ILE 56 Cb 0.31 0.21 0.00 0.00 0.47 0.00 0.00 36.82 37.81 2jmh h ILE 56 CO 0.04 0.10 -0.11 0.03 -3.07 0.00 0.00 178.15 175.14 2jmh h ARG 57 N 0.57 -0.29 -0.47 2.19 -0.00 -1.13 0.99 114.38 116.23 2jmh h ARG 57 Ca 0.40 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.88 2jmh h ARG 57 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.75 2jmh h ARG 57 CO -0.16 0.03 0.23 1.49 0.00 0.00 0.00 179.97 181.57 2jmh h GLU 58 N -0.65 0.68 -0.20 0.04 4.81 -0.66 -1.57 114.58 117.03 2jmh h GLU 58 Ca -0.03 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2jmh h GLU 58 Cb 0.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2jmh h GLU 58 CO 0.05 0.57 -0.18 1.25 -0.73 0.00 0.00 179.01 179.97 2jmh h LEU 59 N 0.62 0.34 0.28 1.64 6.46 -0.53 -1.13 115.31 122.98 2jmh h LEU 59 Ca 0.16 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2jmh h LEU 59 Cb 0.11 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2jmh h LEU 59 CO -0.02 0.54 -0.13 -0.78 -0.62 0.00 0.00 178.44 177.42 2jmh h ASP 60 N 0.32 -0.32 -0.94 1.25 3.58 -0.37 0.96 116.42 120.90 2jmh h ASP 60 Ca 0.06 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2jmh h ASP 60 Cb 0.51 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 2jmh h ASP 60 CO 0.03 0.04 0.55 1.62 -2.88 0.00 0.00 179.24 178.61 2jmh h VAL 61 N -0.72 1.26 0.40 2.25 3.04 -1.24 0.76 116.25 121.99 2jmh h VAL 61 Ca -0.04 -0.59 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 2jmh h VAL 61 Cb 0.49 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 2jmh h VAL 61 CO 0.06 0.28 -0.19 0.58 -1.01 0.00 0.00 177.57 177.29 2jmh h VAL 62 N 1.30 0.52 0.00 1.51 2.07 -1.20 -1.63 116.25 118.82 2jmh h VAL 62 Ca 0.34 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jmh h VAL 62 Cb -0.03 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2jmh h VAL 62 CO -0.06 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.61 2jmh h ALA 64 N 1.99 -0.46 -0.40 0.00 0.00 -0.72 -0.40 119.26 119.27 2jmh h ALA 64 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jmh h ALA 64 Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jmh h ALA 64 CO 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 179.25 178.97 2jmh h MET 65 N -1.05 0.56 -0.08 0.00 -0.00 -1.10 -1.40 114.93 111.85 2jmh h MET 65 Ca -0.05 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.70 59.54 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 0.08 0.45 -0.13 0.82 -0.00 0.00 0.00 176.91 178.13 2jmh h ILE 66 N 0.56 1.39 -0.40 -0.10 5.03 -1.06 -1.15 117.51 121.78 2jmh h ILE 66 Ca 0.14 -1.38 0.01 0.00 -0.12 0.00 0.00 64.86 63.52 2jmh h ILE 66 Cb 0.09 2.10 -0.02 0.00 -3.03 0.00 0.00 36.82 35.96 2jmh h ILE 66 CO -0.02 0.39 0.25 -0.33 -0.68 0.00 0.00 178.15 177.76 2jmh h GLU 67 N -0.22 0.49 0.01 2.37 5.08 -0.80 0.12 114.58 121.63 2jmh h GLU 67 Ca 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jmh h GLU 67 Cb 0.69 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jmh h GLU 67 CO 0.03 0.32 -0.00 0.78 -1.00 0.00 0.00 179.01 179.14 2jmh h GLY 68 N 0.50 -0.01 0.96 -3.84 0.00 -1.31 -1.15 103.07 98.23 2jmh h GLY 68 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2jmh h GLY 68 CO -0.06 -0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.07 2jmh h ALA 69 N 0.66 1.16 0.22 3.60 0.00 -1.10 -1.39 119.26 122.40 2jmh h ALA 69 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 69 Cb 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jmh h ALA 69 CO 0.00 0.50 -0.10 1.96 0.00 0.00 0.00 179.25 181.61 2jmh h GLN 70 N 1.19 -0.28 -0.14 0.00 4.20 -0.72 0.82 115.11 120.17 2jmh h GLN 70 Ca 0.34 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.11 2jmh h GLN 70 Cb -0.09 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2jmh h GLN 70 CO -0.09 -0.01 -0.14 0.78 -0.67 0.00 0.00 178.83 178.70 2jmh h GLY 71 N -0.53 -0.05 0.83 3.46 0.00 -1.02 0.26 103.07 106.02 2jmh h GLY 71 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2jmh h GLY 71 CO 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 176.54 176.23 2jmh h ALA 72 N 0.92 -0.60 -0.09 3.60 0.00 -1.28 -0.99 119.26 120.83 2jmh h ALA 72 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jmh h ALA 72 Cb 0.30 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2jmh h ALA 72 CO -0.24 -0.75 -0.33 1.25 0.00 0.00 0.00 179.25 179.19 2jmh h LEU 73 N -0.77 -1.00 -0.13 0.00 5.85 -0.71 0.18 115.31 118.73 2jmh h LEU 73 Ca -0.06 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2jmh h LEU 73 Cb 0.54 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2jmh h LEU 73 CO 0.10 -0.37 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.32 2jmh h GLU 74 N -0.43 -0.22 -0.07 1.25 3.07 -0.51 0.24 114.58 117.92 2jmh h GLU 74 Ca 0.08 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 2jmh h GLU 74 Cb 0.55 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2jmh h GLU 74 CO -0.33 -0.14 0.06 0.00 -1.40 0.00 0.00 179.01 177.20 2jmh h ARG 75 N -0.22 0.00 0.05 2.33 2.47 -0.69 0.25 114.38 118.57 2jmh h ARG 75 Ca 0.10 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2jmh h ARG 75 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2jmh h ARG 75 CO -0.26 0.00 -0.03 1.49 0.56 0.00 0.00 179.97 181.73 2jmh h GLU 76 N 0.00 -0.07 0.00 0.04 4.81 0.12 -3.30 114.58 116.18 2jmh h GLU 76 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 76 Cb 0.16 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jmh h GLU 76 CO -0.00 0.45 -0.06 1.37 -0.73 0.00 0.00 179.01 180.03 2jmh h LEU 77 N -0.95 0.00 -2.53 1.64 8.10 -0.33 -2.33 115.31 118.90 2jmh h LEU 77 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.00 2jmh h LEU 77 Cb 0.55 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2jmh h LEU 77 CO 0.01 0.06 0.11 0.11 -4.11 0.00 0.00 178.44 174.62 2jmh h LYS 78 N 0.00 0.00 0.00 0.17 1.79 -0.57 0.59 116.57 118.55 2jmh h LYS 78 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jmh h LYS 78 Cb 0.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jmh h LYS 78 CO 0.01 0.00 -0.15 -0.09 -1.08 0.00 0.00 179.45 178.14 2jmh h ARG 79 N 0.00 0.00 -6.64 3.15 2.43 -1.57 -3.44 114.38 108.31 2jmh h ARG 79 Ca 0.02 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.76 2jmh h ARG 79 Cb 0.24 0.00 0.22 0.00 -0.42 0.00 0.00 29.97 30.02 2jmh h ARG 79 CO -0.00 0.15 -0.97 0.25 -1.51 0.00 0.00 179.97 177.89 2jmh n THR 80 N -3.55 0.00 -2.37 0.20 -2.24 0.20 -5.02 114.28 101.50 2jmh n THR 80 Ca -0.01 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 2jmh n THR 80 Cb 0.29 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2jmh n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jmh n ASP 81 N -1.88 0.03 -4.92 3.42 8.00 -1.26 -5.10 116.55 114.84 2jmh n ASP 81 Ca 0.01 -1.03 -0.29 0.00 0.71 0.00 0.00 54.79 54.20 2jmh n ASP 81 Cb 0.60 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.65 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jmh s LEU 82 N 0.00 4.22 -0.27 0.64 2.96 -1.26 -4.94 118.68 120.03 2jmh s LEU 82 Ca 0.02 0.48 -0.37 0.00 -0.22 0.00 0.00 54.13 54.03 2jmh s LEU 82 Cb -0.00 -3.24 0.16 0.00 0.50 0.00 0.00 46.19 43.61 2jmh s LEU 82 CO 0.01 -0.03 1.35 0.20 -1.32 0.00 0.00 176.35 176.56 2jmh s ASN 83 N -2.96 -0.04 0.06 3.68 -0.87 -1.26 -4.99 114.94 108.56 2jmh s ASN 83 Ca 0.40 0.01 -0.32 0.00 -1.57 0.00 0.00 52.86 51.38 2jmh s ASN 83 Cb -0.11 0.04 -0.18 0.00 -0.02 0.00 0.00 41.25 40.97 2jmh s ASN 83 CO 0.28 -0.06 1.53 0.40 -2.57 0.00 0.00 177.10 176.68 2jmh h ILE 84 N 2.01 0.34 -0.26 0.60 2.04 -1.98 0.25 117.51 120.51 2jmh h ILE 84 Ca -0.04 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2jmh h ILE 84 Cb 1.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2jmh h ILE 84 CO 0.20 0.01 0.10 0.25 0.00 0.00 0.00 178.15 178.71 2jmh h LEU 85 N -0.94 0.35 -0.95 1.44 7.12 -1.99 -1.14 115.31 119.21 2jmh h LEU 85 Ca -0.09 -0.17 0.03 0.00 0.13 0.00 0.00 57.88 57.79 2jmh h LEU 85 Cb 0.69 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.67 2jmh h LEU 85 CO 0.15 0.42 0.62 -0.33 -0.13 0.00 0.00 178.44 179.17 2jmh h GLU 86 N 0.26 1.18 -0.28 1.25 5.08 -1.94 -1.20 114.58 118.93 2jmh h GLU 86 Ca 0.09 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2jmh h GLU 86 Cb 0.18 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2jmh h GLU 86 CO -0.01 0.78 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.69 2jmh h ARG 87 N 1.21 0.50 0.47 2.33 2.43 -0.26 -0.50 114.38 120.57 2jmh h ARG 87 Ca 0.37 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2jmh h ARG 87 Cb -0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2jmh h ARG 87 CO -0.11 0.66 -0.29 0.35 -1.51 0.00 0.00 179.97 179.06 2jmh h PHE 88 N 0.29 -0.77 -0.67 2.20 3.57 -0.79 0.26 116.94 121.03 2jmh h PHE 88 Ca 0.08 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jmh h PHE 88 Cb 0.43 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2jmh h PHE 88 CO 0.04 -0.45 0.42 -0.91 -2.23 0.00 0.00 178.31 175.18 2jmh h ASN 89 N -0.73 0.70 -0.49 0.41 4.21 -1.26 -1.46 115.58 116.95 2jmh h ASN 89 Ca -0.05 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 2jmh h ASN 89 Cb 0.60 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2jmh h ASN 89 CO 0.05 0.49 0.24 1.88 -1.29 0.00 0.00 177.43 178.80 2jmh h TYR 90 N 0.83 0.71 0.39 1.19 -1.99 -0.87 0.12 116.97 117.34 2jmh h TYR 90 Ca 0.26 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 2jmh h TYR 90 Cb -0.00 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 2jmh h TYR 90 CO -0.04 0.56 -0.22 1.49 -0.00 0.00 0.00 178.16 179.94 2jmh h GLU 91 N 0.65 -0.55 -0.22 4.88 4.22 -0.06 -1.15 114.58 122.34 2jmh h GLU 91 Ca 0.17 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 2jmh h GLU 91 Cb 0.11 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jmh h GLU 91 CO -0.02 -0.37 0.13 1.49 -2.18 0.00 0.00 179.01 178.06 2jmh h GLU 92 N -0.58 0.30 -0.35 1.92 4.81 -1.21 -0.51 114.58 118.97 2jmh h GLU 92 Ca -0.05 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2jmh h GLU 92 Cb 0.46 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 2jmh h GLU 92 CO 0.06 0.24 -0.17 0.00 -0.73 0.00 0.00 179.01 178.41 2jmh h ALA 93 N 1.04 0.10 -0.40 2.92 0.00 -0.65 -0.72 119.26 121.55 2jmh h ALA 93 Ca 0.08 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2jmh h ALA 93 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jmh h ALA 93 CO -0.01 -0.55 -0.05 0.37 0.00 0.00 0.00 179.25 179.01 2jmh h GLN 94 N -0.11 0.67 0.07 0.00 5.75 -1.04 -1.38 115.11 119.07 2jmh h GLN 94 Ca 0.18 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2jmh h GLN 94 Cb 0.38 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2jmh h GLN 94 CO -0.42 0.72 -0.12 1.15 -2.65 0.00 0.00 178.83 177.52 2jmh h THR 95 N 0.63 0.73 -0.33 2.39 2.02 0.29 0.20 112.91 118.83 2jmh h THR 95 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 2jmh h THR 95 Cb 0.46 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2jmh h THR 95 CO 0.02 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.78 2jmh h LEU 96 N -0.24 0.63 -0.76 2.58 3.38 -1.12 -1.58 115.31 118.21 2jmh h LEU 96 Ca 0.02 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2jmh h LEU 96 Cb 0.25 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2jmh h LEU 96 CO -0.06 0.84 0.48 0.77 0.09 0.00 0.00 178.44 180.56 2jmh h SER 97 N 0.42 0.79 0.04 -0.43 4.64 -1.07 0.82 113.55 118.75 2jmh h SER 97 Ca 0.09 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jmh h SER 97 Cb 0.56 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jmh h SER 97 CO 0.03 0.54 -0.02 0.11 -0.87 0.00 0.00 176.83 176.63 2jmh h LYS 98 N 0.93 -0.05 -0.35 4.77 1.57 -0.51 -0.68 116.57 122.25 2jmh h LYS 98 Ca 0.30 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 2jmh h LYS 98 Cb 0.02 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2jmh h LYS 98 CO -0.11 0.28 0.13 0.82 -0.57 0.00 0.00 179.45 180.01 2jmh h ILE 99 N -0.38 0.92 -0.53 1.86 2.04 -1.05 -1.25 117.51 119.12 2jmh h ILE 99 Ca -0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jmh h ILE 99 Cb 0.35 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2jmh h ILE 99 CO 0.01 0.05 0.25 0.25 0.00 0.00 0.00 178.15 178.71 2jmh h LEU 100 N 0.29 0.69 -0.50 1.44 7.12 -0.84 -1.44 115.31 122.07 2jmh h LEU 100 Ca 0.16 -0.14 0.05 0.00 0.13 0.00 0.00 57.88 58.08 2jmh h LEU 100 Cb 0.12 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.02 2jmh h LEU 100 CO -0.15 0.64 0.24 -0.07 -0.13 0.00 0.00 178.44 178.97 2jmh h LEU 101 N 0.70 0.34 0.52 2.25 3.38 -0.67 0.24 115.31 122.07 2jmh h LEU 101 Ca 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2jmh h LEU 101 Cb 0.13 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jmh h LEU 101 CO -0.02 0.23 -0.25 0.50 0.09 0.00 0.00 178.44 178.99 2jmh h LYS 102 N 0.47 -0.67 -0.41 1.13 3.64 -1.01 -0.86 116.57 118.86 2jmh h LYS 102 Ca 0.23 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 2jmh h LYS 102 Cb 0.15 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 2jmh h LYS 102 CO -0.17 -0.38 0.05 -0.44 -2.27 0.00 0.00 179.45 176.24 2jmh h ASP 103 N -0.87 -0.05 -0.07 4.20 3.32 -1.11 -0.96 116.42 120.87 2jmh h ASP 103 Ca -0.07 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2jmh h ASP 103 Cb 0.60 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2jmh h ASP 103 CO 0.12 0.01 -0.07 0.25 -1.72 0.00 0.00 179.24 177.82 2jmh h LEU 104 N 0.17 -0.22 -1.01 1.55 5.85 -0.49 -0.73 115.31 120.43 2jmh h LEU 104 Ca 0.20 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.07 2jmh h LEU 104 Cb 0.27 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 2jmh h LEU 104 CO -0.29 -0.10 0.64 0.11 -0.34 0.00 0.00 178.44 178.46 2jmh h LYS 105 N -0.09 1.03 -0.56 1.25 1.79 -0.64 -1.05 116.57 118.30 2jmh h LYS 105 Ca 0.06 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 2jmh h LYS 105 Cb 0.17 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2jmh h LYS 105 CO -0.13 0.68 0.03 1.49 -1.08 0.00 0.00 179.45 180.44 2jmh h GLU 106 N 1.06 0.97 0.35 3.15 4.57 -0.53 -1.16 114.58 122.99 2jmh h GLU 106 Ca 0.48 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2jmh h GLU 106 Cb 0.39 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2jmh h GLU 106 CO -0.24 0.96 -0.17 1.79 -1.18 0.00 0.00 179.01 180.17 2jmh h THR 107 N 0.85 0.66 -0.49 0.32 1.35 -0.05 -1.48 112.91 114.08 2jmh h THR 107 Ca 0.16 -0.20 0.02 0.00 -0.55 0.00 0.00 66.41 65.85 2jmh h THR 107 Cb 0.50 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2jmh h THR 107 CO 0.02 0.04 0.29 1.05 -0.25 0.00 0.00 175.52 176.67 2jmh h GLU 108 N -0.58 0.56 -0.16 4.72 4.11 -1.23 -1.54 114.58 120.45 2jmh h GLU 108 Ca -0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.39 2jmh h GLU 108 Cb 0.43 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2jmh h GLU 108 CO 0.08 0.37 -0.10 0.37 0.07 0.00 0.00 179.01 179.80 2jmh h GLN 109 N 0.58 -0.10 -0.25 1.06 4.15 -1.13 -0.89 115.11 118.52 2jmh h GLN 109 Ca 0.20 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.65 2jmh h GLN 109 Cb 0.02 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2jmh h GLN 109 CO -0.09 -0.07 0.08 0.87 -1.93 0.00 0.00 178.83 177.70 2jmh h LYS 110 N -0.10 0.19 -0.95 1.69 1.57 -0.98 0.42 116.57 118.39 2jmh h LYS 110 Ca 0.09 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2jmh h LYS 110 Cb 0.24 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 2jmh h LYS 110 CO -0.22 0.12 0.59 0.28 -0.57 0.00 0.00 179.45 179.65 2jmh h VAL 111 N 0.19 0.96 -0.03 0.50 2.07 -0.86 -0.45 116.25 118.64 2jmh h VAL 111 Ca 0.11 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 2jmh h VAL 111 Cb 0.09 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 2jmh h VAL 111 CO -0.12 0.18 -0.62 0.11 0.02 0.00 0.00 177.57 177.13 2jmh h LYS 112 N 0.98 0.10 -0.51 1.57 1.57 -0.55 -3.15 116.57 116.57 2jmh h LYS 112 Ca 0.45 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.09 2jmh h LYS 112 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2jmh h LYS 112 CO -0.24 0.69 0.01 0.22 -0.57 0.00 0.00 179.45 179.56 2jmh h ASP 113 N 0.07 0.87 -1.77 0.86 3.58 0.65 -3.42 116.42 117.25 2jmh h ASP 113 Ca -0.01 -0.30 -0.61 0.00 0.42 0.00 0.00 57.03 56.53 2jmh h ASP 113 Cb 1.12 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2jmh h ASP 113 CO 0.09 0.96 1.36 -0.38 -2.88 0.00 0.00 179.24 178.38 2jmh n ILE 114 N -4.32 0.40 -2.32 2.25 -0.00 -0.59 -4.90 119.36 109.87 2jmh n ILE 114 Ca 0.01 -0.29 -0.42 0.00 -0.00 0.00 0.00 62.75 62.05 2jmh n ILE 114 Cb 0.31 -2.12 -0.03 0.00 -0.00 0.00 0.00 39.64 37.80 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 5.60 4.35 0.26 0.38 -2.07 -1.26 -5.01 119.66 121.91 2jmh s GLN 115 Ca 1.00 1.87 0.03 0.00 -1.82 0.00 0.00 55.36 56.44 2jmh s GLN 115 Cb -0.58 -3.42 -0.04 0.00 -1.09 0.00 0.00 33.01 27.88 2jmh s GLN 115 CO 0.44 -0.41 0.20 0.95 -1.32 0.00 0.00 175.29 175.14 2jmh s THR 116 N 1.63 0.00 -1.61 3.63 -4.23 -1.26 -4.97 115.64 108.83 2jmh s THR 116 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2jmh s THR 116 Cb -0.31 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2jmh s THR 116 CO 0.27 0.00 0.40 1.67 -0.54 0.00 0.00 174.62 176.43