#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmh s LYS 3 N 0.00 0.45 0.41 0.00 2.20 -1.26 -5.10 119.74 116.45 1xmh s LYS 3 Ca 0.00 -1.05 0.08 0.00 -0.36 0.00 0.00 55.97 54.64 1xmh s LYS 3 Cb 0.00 -1.32 -0.02 0.00 -1.51 0.00 0.00 37.83 34.98 1xmh s LYS 3 CO 0.00 -1.13 0.40 -1.17 -0.36 0.00 0.00 175.35 173.09 1xmh s LEU 4 N 1.45 3.45 0.00 5.43 2.96 -1.26 -1.55 118.68 129.16 1xmh s LEU 4 Ca 0.14 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1xmh s LEU 4 Cb -0.20 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1xmh s LEU 4 CO -0.14 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 1xmh n GLY 5 N -1.57 3.39 0.27 7.98 0.00 -1.22 -4.75 105.19 109.28 1xmh n GLY 5 Ca 0.04 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1xmh n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xmh h ILE 6 N 1.89 0.31 0.00 -0.61 1.08 -1.99 -3.37 117.51 114.82 1xmh h ILE 6 Ca 0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1xmh h ILE 6 Cb 0.00 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1xmh h ILE 6 CO 0.00 0.06 -0.80 1.41 -0.69 0.00 0.00 178.15 178.13 1xmh n HIS 7 N -5.20 0.16 -3.68 1.37 8.25 -1.26 -4.86 115.22 109.99 1xmh n HIS 7 Ca -0.09 0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 1xmh n HIS 7 Cb 0.29 -0.32 -0.13 0.00 1.12 0.00 0.00 29.99 30.95 1xmh n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xmh s SER 8 N -3.48 0.13 0.35 0.41 0.15 -1.26 -5.09 113.70 104.92 1xmh s SER 8 Ca 0.07 0.60 -0.13 0.00 0.70 0.00 0.00 55.95 57.20 1xmh s SER 8 Cb 0.16 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1xmh s SER 8 CO 0.77 -0.22 0.69 0.54 1.20 0.00 0.00 173.24 176.22 1xmh s ASN 9 N 2.09 0.18 0.22 5.45 2.20 -1.26 -3.39 114.94 120.41 1xmh s ASN 9 Ca -0.02 -1.14 -0.07 0.00 -0.94 0.00 0.00 52.86 50.68 1xmh s ASN 9 Cb -0.11 0.77 0.16 0.00 -2.00 0.00 0.00 41.25 40.07 1xmh s ASN 9 CO -0.09 -1.52 1.77 0.44 -2.94 0.00 0.00 177.10 174.76 1xmh h ASP 10 N 2.04 1.09 0.14 3.54 3.32 -1.65 -1.81 116.42 123.10 1xmh h ASP 10 Ca -0.29 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xmh h ASP 10 Cb 1.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1xmh h ASP 10 CO 0.38 0.98 -0.12 0.74 -1.72 0.00 0.00 179.24 179.50 1xmh h THR 11 N 1.14 0.74 -0.96 0.35 2.02 -1.97 0.23 112.91 114.45 1xmh h THR 11 Ca 0.25 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1xmh h THR 11 Cb 0.25 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1xmh h THR 11 CO -0.02 0.00 0.64 0.03 0.37 0.00 0.00 175.52 176.54 1xmh h ARG 12 N -0.27 1.27 -0.49 6.66 3.08 -1.93 -1.42 114.38 121.27 1xmh h ARG 12 Ca -0.00 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1xmh h ARG 12 Cb 0.25 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1xmh h ARG 12 CO -0.02 0.84 0.14 -0.44 -1.07 0.00 0.00 179.97 179.42 1xmh h ASP 13 N 1.30 0.73 -0.80 7.04 3.32 -0.95 -1.08 116.42 125.99 1xmh h ASP 13 Ca 0.36 -0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.26 1xmh h ASP 13 Cb -0.14 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.15 1xmh h ASP 13 CO -0.08 0.76 0.47 0.00 -1.72 0.00 0.00 179.24 178.67 1xmh h ALA 14 N 1.00 1.12 -0.01 3.45 0.00 0.10 -1.64 119.26 123.28 1xmh h ALA 14 Ca 0.16 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xmh h ALA 14 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xmh h ALA 14 CO -0.00 0.14 -0.70 -1.49 0.00 0.00 0.00 179.25 177.20 1xmh h TRP 15 N 0.82 0.08 -0.74 0.00 4.06 -0.93 -2.11 115.95 117.14 1xmh h TRP 15 Ca 0.37 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 61.23 1xmh h TRP 15 Cb 0.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1xmh h TRP 15 CO -0.06 0.73 0.25 0.28 -3.56 0.00 0.00 178.44 176.09 1xmh h VAL 16 N 0.04 1.26 -0.33 1.49 2.07 -0.39 0.74 116.25 121.12 1xmh h VAL 16 Ca -0.01 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1xmh h VAL 16 Cb 1.23 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1xmh h VAL 16 CO 0.10 0.34 -0.07 0.78 0.02 0.00 0.00 177.57 178.73 1xmh h ASN 17 N 1.09 0.63 -0.26 0.57 2.35 -1.20 -1.30 115.58 117.45 1xmh h ASN 17 Ca 0.24 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1xmh h ASN 17 Cb 0.27 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1xmh h ASN 17 CO -0.01 0.84 0.13 0.50 -1.65 0.00 0.00 177.43 177.24 1xmh h LYS 18 N 0.40 0.27 -0.33 0.81 3.64 -1.10 -2.43 116.57 117.84 1xmh h LYS 18 Ca 0.08 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1xmh h LYS 18 Cb 0.57 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xmh h LYS 18 CO 0.03 0.18 0.02 0.82 -2.27 0.00 0.00 179.45 178.23 1xmh h ILE 19 N 0.28 1.18 0.00 2.00 2.04 -0.76 -1.98 117.51 120.27 1xmh h ILE 19 Ca 0.11 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1xmh h ILE 19 Cb 0.03 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1xmh h ILE 19 CO -0.07 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1xmh h ALA 20 N 1.55 1.00 -0.22 1.87 0.00 -0.72 -1.30 119.26 121.44 1xmh h ALA 20 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xmh h ALA 20 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xmh h ALA 20 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1xmh n GLN 21 N -3.06 2.18 -2.97 0.00 1.13 -0.74 -4.72 117.38 109.20 1xmh n GLN 21 Ca -0.02 -1.76 -0.44 0.00 -1.94 0.00 0.00 57.00 52.84 1xmh n GLN 21 Cb 0.13 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.97 1xmh n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xmh s LEU 22 N -1.66 4.88 -0.07 1.08 1.43 -0.49 -4.86 118.68 118.99 1xmh s LEU 22 Ca 0.35 -1.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.23 1xmh s LEU 22 Cb 0.21 -2.37 0.25 0.00 0.03 0.00 0.00 46.19 44.31 1xmh s LEU 22 CO 0.30 -1.26 1.18 0.59 0.23 0.00 0.00 176.35 177.39 1xmh n ASN 23 N 6.99 2.69 -4.03 2.29 3.02 -1.26 -4.86 115.26 120.10 1xmh n ASN 23 Ca -0.02 -2.46 -0.16 0.00 -0.03 0.00 0.00 54.58 51.92 1xmh n ASN 23 Cb 0.45 -0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 39.22 1xmh n ASN 23 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xmh s THR 24 N -1.80 0.57 0.14 3.41 -4.23 -1.26 -5.07 115.64 107.40 1xmh s THR 24 Ca 0.22 -0.65 -0.21 0.00 -1.18 0.00 0.00 61.69 59.86 1xmh s THR 24 Cb 0.16 -0.55 -0.00 0.00 1.34 0.00 0.00 72.50 73.45 1xmh s THR 24 CO 0.06 -0.07 1.67 0.25 -0.54 0.00 0.00 174.62 175.99 1xmh h LEU 25 N 5.31 -0.48 -0.47 4.79 5.85 -1.93 -1.56 115.31 126.82 1xmh h LEU 25 Ca -0.32 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1xmh h LEU 25 Cb 1.19 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1xmh h LEU 25 CO 0.46 -0.19 0.23 -0.08 -0.34 0.00 0.00 178.44 178.52 1xmh h GLU 26 N -0.16 0.45 -0.16 1.25 4.81 -1.98 0.42 114.58 119.21 1xmh h GLU 26 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1xmh h GLU 26 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1xmh h GLU 26 CO -0.28 0.30 0.04 -0.22 -0.73 0.00 0.00 179.01 178.12 1xmh h LYS 27 N 0.46 0.26 -0.49 1.92 3.64 -1.97 -1.36 116.57 119.03 1xmh h LYS 27 Ca 0.21 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1xmh h LYS 27 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1xmh h LYS 27 CO -0.15 0.39 0.19 0.00 -2.27 0.00 0.00 179.45 177.61 1xmh h ALA 28 N 0.85 0.64 -0.68 5.00 0.00 -0.90 -1.77 119.26 122.40 1xmh h ALA 28 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1xmh h ALA 28 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xmh h ALA 28 CO -0.00 0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.65 1xmh h ALA 29 N 1.04 0.98 -0.62 0.00 0.00 -0.13 -1.65 119.26 118.88 1xmh h ALA 29 Ca 0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xmh h ALA 29 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xmh h ALA 29 CO -0.01 0.65 0.11 1.49 0.00 0.00 0.00 179.25 181.49 1xmh h GLU 30 N 1.03 1.00 -0.36 0.00 4.57 -1.04 -1.81 114.58 117.97 1xmh h GLU 30 Ca 0.21 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1xmh h GLU 30 Cb 0.38 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1xmh h GLU 30 CO 0.00 0.92 -0.22 1.98 -1.18 0.00 0.00 179.01 180.52 1xmh h MET 31 N 0.94 0.69 -0.44 1.92 4.05 -0.96 -0.87 114.93 120.27 1xmh h MET 31 Ca 0.19 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 1xmh h MET 31 Cb 0.40 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1xmh h MET 31 CO 0.01 0.85 0.02 1.25 0.23 0.00 0.00 176.91 179.27 1xmh h LEU 32 N 0.61 0.74 -0.65 3.39 5.85 -0.99 0.90 115.31 125.16 1xmh h LEU 32 Ca 0.09 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1xmh h LEU 32 Cb 0.70 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1xmh h LEU 32 CO 0.05 0.86 0.17 0.50 -0.34 0.00 0.00 178.44 179.67 1xmh h LYS 33 N 0.60 1.03 -0.26 1.25 3.64 -1.20 -1.42 116.57 120.22 1xmh h LYS 33 Ca 0.13 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1xmh h LYS 33 Cb 0.46 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1xmh h LYS 33 CO 0.02 0.92 0.10 0.37 -2.27 0.00 0.00 179.45 178.59 1xmh h GLN 34 N 0.96 0.40 -0.66 1.90 5.75 -0.95 -2.09 115.11 120.41 1xmh h GLN 34 Ca 0.20 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 1xmh h GLN 34 Cb 0.35 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.77 1xmh h GLN 34 CO 0.00 0.44 0.30 0.35 -2.65 0.00 0.00 178.83 177.27 1xmh h PHE 35 N 0.27 0.53 -0.45 3.99 3.57 -0.52 0.90 116.94 125.23 1xmh h PHE 35 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1xmh h PHE 35 Cb 0.19 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1xmh h PHE 35 CO -0.01 0.18 -0.00 0.00 -2.23 0.00 0.00 178.31 176.25 1xmh h ARG 36 N 0.52 0.73 -0.37 1.11 3.08 -1.04 0.38 114.38 118.79 1xmh h ARG 36 Ca 0.33 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 1xmh h ARG 36 Cb 0.36 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xmh h ARG 36 CO -0.28 0.74 -0.40 0.52 -1.07 0.00 0.00 179.97 179.49 1xmh h MET 37 N 0.69 0.91 0.04 0.04 2.86 -0.58 -2.49 114.93 116.40 1xmh h MET 37 Ca 0.14 -0.49 -0.24 0.00 -2.06 0.00 0.00 59.70 57.04 1xmh h MET 37 Cb 0.42 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xmh h MET 37 CO 0.02 1.15 -1.03 -0.44 1.06 0.00 0.00 176.91 177.67 1xmh h ASP 38 N 0.73 0.51 0.00 1.22 3.45 -0.49 -2.55 116.42 119.28 1xmh h ASP 38 Ca 0.05 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1xmh h ASP 38 Cb 0.99 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1xmh h ASP 38 CO 0.10 1.27 0.00 1.41 -1.57 0.00 0.00 179.24 180.44 1xmh n HIS 39 N -3.69 0.00 -4.43 4.55 8.25 0.13 -1.97 115.22 118.06 1xmh n HIS 39 Ca -0.07 -0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.04 1xmh n HIS 39 Cb 0.89 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.87 1xmh n HIS 39 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xmh s THR 40 N -0.19 2.33 0.26 1.59 -4.23 -0.94 -4.90 115.64 109.56 1xmh s THR 40 Ca 0.00 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1xmh s THR 40 Cb 0.00 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.69 1xmh s THR 40 CO 0.00 -0.22 0.00 0.35 -0.54 0.00 0.00 174.62 174.21 1xmh n THR 41 N 0.02 -0.21 0.21 3.99 -2.24 -1.26 -2.85 114.28 111.94 1xmh n THR 41 Ca -0.11 0.33 0.03 0.00 -2.27 0.00 0.00 64.05 62.04 1xmh n THR 41 Cb 0.57 -0.56 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1xmh n THR 41 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1xmh n PRO 42 N -3.24 0.01 -0.33 -0.78 -0.02 -1.26 -1.42 135.00 127.95 1xmh n PRO 42 Ca -0.03 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.95 1xmh n PRO 42 Cb 0.32 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.59 1xmh n PRO 42 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xmh n PHE 43 N -1.49 0.86 -1.59 6.00 3.72 -1.26 -5.00 117.46 118.70 1xmh n PHE 43 Ca 0.01 -0.47 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 1xmh n PHE 43 Cb 0.07 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.65 1xmh n PHE 43 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1xmh n ARG 44 N 1.49 0.89 0.26 -1.08 1.85 -0.51 -4.84 116.66 114.71 1xmh n ARG 44 Ca 0.22 0.34 0.17 0.00 -1.00 0.00 0.00 57.85 57.58 1xmh n ARG 44 Cb 0.59 -2.09 0.72 0.00 -1.05 0.00 0.00 32.46 30.63 1xmh n ARG 44 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1xmh h ASN 45 N 0.55 0.00 -4.76 2.89 -0.26 -1.01 -3.45 115.58 109.54 1xmh h ASN 45 Ca -0.48 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.25 1xmh h ASN 45 Cb 1.37 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 38.43 1xmh h ASN 45 CO 0.51 0.00 0.30 -0.55 -1.06 0.00 0.00 177.43 176.63 1xmh s SER 46 N -5.29 -0.56 -0.08 5.81 0.15 -0.83 -5.04 113.70 107.85 1xmh s SER 46 Ca 0.01 0.54 0.17 0.00 0.70 0.00 0.00 55.95 57.37 1xmh s SER 46 Cb 0.09 0.48 0.59 0.00 -1.71 0.00 0.00 66.02 65.47 1xmh s SER 46 CO 0.48 -0.58 1.51 -1.22 1.20 0.00 0.00 173.24 174.64 1xmh n TYR 47 N 0.69 1.11 0.01 3.44 4.02 -1.26 -4.53 117.16 120.64 1xmh n TYR 47 Ca -0.16 -0.60 0.08 0.00 -0.01 0.00 0.00 57.90 57.21 1xmh n TYR 47 Cb 0.58 -0.17 0.50 0.00 -0.02 0.00 0.00 39.34 40.23 1xmh n TYR 47 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xmh h GLU 48 N 3.35 0.38 -0.58 -0.72 4.11 -1.96 -2.20 114.58 116.97 1xmh h GLU 48 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1xmh h GLU 48 Cb 1.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1xmh h GLU 48 CO 0.14 0.25 0.06 1.28 0.07 0.00 0.00 179.01 180.81 1xmh n LEU 49 N -4.48 5.61 -0.30 3.06 4.77 -1.26 -4.70 117.00 119.70 1xmh n LEU 49 Ca 0.05 -3.03 0.12 0.00 -0.03 0.00 0.00 56.01 53.12 1xmh n LEU 49 Cb 0.20 -0.68 0.27 0.00 -2.33 0.00 0.00 43.42 40.88 1xmh n LEU 49 CO 0.35 0.69 0.91 -0.78 -1.33 0.00 0.00 177.39 177.22 1xmh h ASP 50 N 3.40 -0.11 0.85 -1.43 3.58 -1.72 0.38 116.42 121.37 1xmh h ASP 50 Ca 0.06 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1xmh h ASP 50 Cb 2.01 0.30 0.00 0.00 1.72 0.00 0.00 39.33 43.36 1xmh h ASP 50 CO 0.52 -0.19 0.00 0.59 -2.88 0.00 0.00 179.24 177.28 1xmh n ASN 51 N -5.28 0.00 0.00 2.28 3.02 -1.26 -4.16 115.26 109.86 1xmh n ASN 51 Ca 0.21 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1xmh n ASN 51 Cb 0.67 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1xmh n ASN 51 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xmh n ASP 52 N -1.46 0.09 -0.31 6.41 8.00 -0.08 -4.88 116.55 124.32 1xmh n ASP 52 Ca 0.08 -0.18 0.01 0.00 0.71 0.00 0.00 54.79 55.41 1xmh n ASP 52 Cb 0.30 0.38 0.15 0.00 -0.02 0.00 0.00 41.12 41.93 1xmh n ASP 52 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1xmh h TYR 53 N 0.00 0.95 -0.53 1.24 -0.00 -0.51 -1.08 116.97 117.04 1xmh h TYR 53 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 58.73 58.84 1xmh h TYR 53 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 36.73 36.36 1xmh h TYR 53 CO 0.00 0.45 0.17 -0.07 -0.00 0.00 0.00 178.16 178.71 1xmh h LEU 54 N 0.92 0.14 -0.34 0.10 3.38 -1.84 0.41 115.31 118.08 1xmh h LEU 54 Ca 0.38 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.29 1xmh h LEU 54 Cb 0.23 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xmh h LEU 54 CO -0.20 0.10 -0.33 -0.25 0.09 0.00 0.00 178.44 177.86 1xmh h TRP 55 N 0.34 0.98 -0.39 1.13 7.01 -1.80 -2.77 115.95 120.44 1xmh h TRP 55 Ca 0.26 -0.29 -0.13 0.00 2.11 0.00 0.00 58.89 60.84 1xmh h TRP 55 Cb 0.31 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1xmh h TRP 55 CO -0.18 1.08 -0.26 0.82 -2.79 0.00 0.00 178.44 177.11 1xmh h ILE 56 N 0.60 1.27 -0.39 2.65 2.04 -0.69 -2.45 117.51 120.55 1xmh h ILE 56 Ca 0.05 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.53 1xmh h ILE 56 Cb 0.91 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1xmh h ILE 56 CO 0.08 0.47 0.23 -0.08 0.00 0.00 0.00 178.15 178.85 1xmh h GLU 57 N 0.70 0.45 -0.63 2.37 4.81 -0.17 -0.58 114.58 121.53 1xmh h GLU 57 Ca 0.09 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1xmh h GLU 57 Cb 0.79 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1xmh h GLU 57 CO 0.07 0.30 0.34 0.00 -0.73 0.00 0.00 179.01 178.98 1xmh h ALA 58 N 1.17 0.84 -0.44 2.92 0.00 -1.30 0.24 119.26 122.69 1xmh h ALA 58 Ca 0.15 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xmh h ALA 58 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xmh h ALA 58 CO -0.07 0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.06 1xmh h LYS 59 N 0.63 0.71 -0.47 0.00 1.79 -0.96 -0.77 116.57 117.51 1xmh h LYS 59 Ca 0.28 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 1xmh h LYS 59 Cb 0.19 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1xmh h LYS 59 CO -0.18 0.73 -0.08 1.25 -1.08 0.00 0.00 179.45 180.09 1xmh h LEU 60 N 0.67 0.89 -0.72 2.94 5.85 -0.09 -2.93 115.31 121.92 1xmh h LEU 60 Ca 0.14 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1xmh h LEU 60 Cb 0.41 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1xmh h LEU 60 CO 0.02 1.02 0.47 -0.33 -0.34 0.00 0.00 178.44 179.28 1xmh h GLU 61 N 0.73 0.91 -1.00 1.25 5.08 -0.01 -2.06 114.58 119.49 1xmh h GLU 61 Ca 0.12 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xmh h GLU 61 Cb 0.62 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1xmh h GLU 61 CO 0.04 0.60 0.65 0.93 -1.00 0.00 0.00 179.01 180.23 1xmh h GLU 62 N 0.94 1.15 -0.09 2.33 5.08 -0.98 -0.45 114.58 122.55 1xmh h GLU 62 Ca 0.27 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1xmh h GLU 62 Cb -0.07 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.92 1xmh h GLU 62 CO -0.08 0.76 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.36 1xmh h LYS 63 N 1.19 0.25 -0.48 2.33 1.63 -1.27 -2.16 116.57 118.05 1xmh h LYS 63 Ca 0.43 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 1xmh h LYS 63 Cb 0.14 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1xmh h LYS 63 CO -0.16 0.69 0.28 0.28 -3.45 0.00 0.00 179.45 177.09 1xmh h VAL 64 N -0.18 1.03 0.24 2.00 2.07 -1.12 -0.90 116.25 119.39 1xmh h VAL 64 Ca 0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xmh h VAL 64 Cb 0.66 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1xmh h VAL 64 CO 0.03 0.10 -0.26 0.00 0.02 0.00 0.00 177.57 177.46 1xmh h ALA 65 N 1.22 -0.53 -0.85 1.67 0.00 -1.09 0.31 119.26 119.99 1xmh h ALA 65 Ca 0.20 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1xmh h ALA 65 Cb 0.04 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1xmh h ALA 65 CO -0.10 -0.83 0.52 0.28 0.00 0.00 0.00 179.25 179.11 1xmh h VAL 66 N -0.55 0.99 -0.35 0.00 2.07 -1.19 -0.69 116.25 116.54 1xmh h VAL 66 Ca -0.00 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1xmh h VAL 66 Cb 0.51 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1xmh h VAL 66 CO -0.07 0.17 -0.38 -0.07 0.02 0.00 0.00 177.57 177.23 1xmh h LEU 67 N 0.91 0.88 -0.38 2.57 3.38 -0.77 -2.92 115.31 118.99 1xmh h LEU 67 Ca 0.39 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1xmh h LEU 67 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xmh h LEU 67 CO -0.20 1.16 0.10 0.50 0.09 0.00 0.00 178.44 180.08 1xmh h LYS 68 N 0.68 0.60 -0.68 1.13 3.64 0.50 -1.45 116.57 120.99 1xmh h LYS 68 Ca 0.06 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xmh h LYS 68 Cb 0.95 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1xmh h LYS 68 CO 0.09 0.63 0.45 0.00 -2.27 0.00 0.00 179.45 178.35 1xmh h ALA 69 N 0.94 1.66 0.03 5.00 0.00 -1.15 0.12 119.26 125.86 1xmh h ALA 69 Ca 0.12 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1xmh h ALA 69 Cb 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xmh h ALA 69 CO 0.00 0.26 -0.99 0.00 0.00 0.00 0.00 179.25 178.52 1xmh h ARG 70 N 0.77 0.29 0.07 0.00 3.08 -1.29 -3.36 114.38 113.93 1xmh h ARG 70 Ca 0.28 -0.35 -0.29 0.00 0.07 0.00 0.00 59.98 59.69 1xmh h ARG 70 Cb 0.13 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1xmh h ARG 70 CO -0.08 1.07 -1.50 0.00 -1.07 0.00 0.00 179.97 178.40 1xmh h ALA 71 N 0.80 0.42 -2.65 0.04 0.00 -0.65 -3.47 119.26 113.75 1xmh h ALA 71 Ca -0.08 -1.17 -0.55 0.00 0.00 0.00 0.00 54.91 53.11 1xmh h ALA 71 Cb 1.65 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1xmh h ALA 71 CO 0.16 1.28 0.02 -0.06 0.00 0.00 0.00 179.25 180.65 1xmh s PHE 72 N -2.63 3.76 1.02 0.00 0.40 0.35 -5.07 117.98 115.81 1xmh s PHE 72 Ca -0.07 1.32 -0.15 0.00 -0.60 0.00 0.00 56.93 57.44 1xmh s PHE 72 Cb 0.08 -2.54 0.20 0.00 0.51 0.00 0.00 43.02 41.26 1xmh s PHE 72 CO 0.83 0.50 1.14 0.54 0.70 0.00 0.00 175.22 178.94 1xmh s ASN 73 N -1.33 2.54 0.31 1.36 2.20 -1.26 -4.72 114.94 114.04 1xmh s ASN 73 Ca 0.34 0.83 -0.01 0.00 -0.94 0.00 0.00 52.86 53.09 1xmh s ASN 73 Cb -0.19 -1.27 0.49 0.00 -2.00 0.00 0.00 41.25 38.28 1xmh s ASN 73 CO 0.21 -3.14 1.96 -0.33 -2.94 0.00 0.00 177.10 172.85 1xmh h GLU 74 N -1.91 0.99 -0.24 3.55 5.08 -1.97 -1.39 114.58 118.69 1xmh h GLU 74 Ca -0.49 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1xmh h GLU 74 Cb 1.31 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1xmh h GLU 74 CO 0.51 0.68 0.01 0.28 -1.00 0.00 0.00 179.01 179.49 1xmh h VAL 75 N 1.01 1.25 -0.17 3.13 2.07 -2.00 -2.88 116.25 118.67 1xmh h VAL 75 Ca 0.27 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 1xmh h VAL 75 Cb -0.06 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xmh h VAL 75 CO -0.05 0.27 -0.35 0.44 0.02 0.00 0.00 177.57 177.90 1xmh h ASP 76 N 0.19 0.36 -0.44 0.57 3.32 -1.87 -0.30 116.42 118.25 1xmh h ASP 76 Ca 0.07 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1xmh h ASP 76 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1xmh h ASP 76 CO 0.01 0.69 0.21 0.15 -1.72 0.00 0.00 179.24 178.58 1xmh h PHE 77 N 0.30 0.67 0.15 4.55 3.04 -1.19 0.21 116.94 124.67 1xmh h PHE 77 Ca 0.03 -0.02 -0.30 0.00 3.98 0.00 0.00 57.97 61.67 1xmh h PHE 77 Cb 0.76 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.07 1xmh h PHE 77 CO 0.02 0.51 -1.38 0.00 -2.02 0.00 0.00 178.31 175.44 1xmh h ARG 78 N 0.68 0.31 -0.00 1.11 3.08 -1.24 -3.41 114.38 114.90 1xmh h ARG 78 Ca 0.17 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1xmh h ARG 78 Cb 0.11 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xmh h ARG 78 CO -0.02 1.22 -0.16 0.72 -1.07 0.00 0.00 179.97 180.66 1xmh n HIS 79 N -3.54 0.00 -4.20 3.04 8.25 -0.16 -4.77 115.22 113.85 1xmh n HIS 79 Ca -0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.06 1xmh n HIS 79 Cb 1.04 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.08 1xmh n HIS 79 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xmh s LYS 80 N -1.15 2.40 0.66 -0.41 1.02 0.73 -0.85 119.74 122.14 1xmh s LYS 80 Ca 0.03 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 54.85 1xmh s LYS 80 Cb 0.04 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1xmh s LYS 80 CO 0.16 0.47 1.03 0.95 -0.92 0.00 0.00 175.35 177.04 1xmh s THR 81 N -1.66 3.67 0.67 2.17 -4.23 0.19 -4.42 115.64 112.03 1xmh s THR 81 Ca 0.27 0.38 0.40 0.00 -1.18 0.00 0.00 61.69 61.56 1xmh s THR 81 Cb -0.10 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.63 1xmh s THR 81 CO 0.18 -0.64 2.23 0.00 -0.54 0.00 0.00 174.62 175.86 1xmh h ALA 82 N -0.48 1.12 -0.18 3.99 0.00 -0.34 0.87 119.26 124.24 1xmh h ALA 82 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xmh h ALA 82 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xmh h ALA 82 CO 0.63 -0.11 0.00 1.19 0.00 0.00 0.00 179.25 180.96 1xmh n PHE 83 N -3.04 0.23 -0.57 0.00 3.01 -1.26 -4.83 117.46 110.99 1xmh n PHE 83 Ca -0.03 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1xmh n PHE 83 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1xmh n PHE 83 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xmh n GLY 84 N 1.16 0.77 3.84 1.37 0.00 0.30 -5.06 105.19 107.57 1xmh n GLY 84 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xmh n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xmh s GLU 85 N -0.43 3.43 -0.37 1.61 2.02 -1.26 -4.75 118.70 118.95 1xmh s GLU 85 Ca 0.00 0.90 -0.26 0.00 0.02 0.00 0.00 54.97 55.62 1xmh s GLU 85 Cb 0.00 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1xmh s GLU 85 CO 0.00 -0.71 0.95 0.34 0.02 0.00 0.00 175.26 175.86 1xmh s ASP 86 N -3.73 6.71 0.22 -0.19 -1.08 -1.26 -0.64 116.67 116.70 1xmh s ASP 86 Ca 0.57 0.63 -0.08 0.00 -0.52 0.00 0.00 52.55 53.16 1xmh s ASP 86 Cb -0.12 -2.48 0.32 0.00 -1.46 0.00 0.00 42.92 39.18 1xmh s ASP 86 CO 0.49 -0.88 1.75 0.00 0.52 0.00 0.00 175.17 177.05 1xmh h ALA 87 N 8.46 0.87 -0.34 3.66 0.00 -1.31 -1.70 119.26 128.91 1xmh h ALA 87 Ca -0.23 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xmh h ALA 87 Cb 1.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1xmh h ALA 87 CO 0.99 -0.16 0.20 -0.22 0.00 0.00 0.00 179.25 180.06 1xmh h LYS 88 N 0.45 0.40 -0.38 0.00 3.64 -1.92 0.45 116.57 119.22 1xmh h LYS 88 Ca 0.33 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1xmh h LYS 88 Cb 0.41 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1xmh h LYS 88 CO -0.31 0.26 0.16 0.77 -2.27 0.00 0.00 179.45 178.07 1xmh h SER 89 N 0.41 0.22 -0.08 4.20 0.02 -1.79 0.14 113.55 116.67 1xmh h SER 89 Ca 0.13 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1xmh h SER 89 Cb -0.01 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1xmh h SER 89 CO -0.06 0.17 0.03 0.58 -1.14 0.00 0.00 176.83 176.41 1xmh h VAL 90 N 0.34 0.98 0.14 2.27 2.07 -0.95 0.48 116.25 121.58 1xmh h VAL 90 Ca 0.16 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1xmh h VAL 90 Cb 0.10 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1xmh h VAL 90 CO -0.14 0.01 -0.21 0.25 0.02 0.00 0.00 177.57 177.50 1xmh h LEU 91 N 0.07 -0.59 -0.46 2.57 5.85 -0.40 -0.80 115.31 121.56 1xmh h LEU 91 Ca 0.04 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xmh h LEU 91 Cb 0.02 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1xmh h LEU 91 CO -0.04 -0.30 0.30 0.44 -0.34 0.00 0.00 178.44 178.51 1xmh h ASP 92 N -0.41 0.52 -0.99 1.25 3.45 -0.62 -0.80 116.42 118.82 1xmh h ASP 92 Ca 0.02 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.48 1xmh h ASP 92 Cb 0.42 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.01 1xmh h ASP 92 CO -0.10 0.38 0.66 1.23 -1.57 0.00 0.00 179.24 179.83 1xmh h GLY 93 N 0.62 1.40 1.02 2.75 0.00 -0.70 0.15 103.07 108.30 1xmh h GLY 93 Ca 0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1xmh h GLY 93 CO -0.04 0.50 -0.30 -0.84 0.00 0.00 0.00 176.54 175.86 1xmh h THR 94 N 1.33 1.29 -0.73 4.70 2.02 -0.78 -1.25 112.91 119.48 1xmh h THR 94 Ca 0.37 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.03 1xmh h THR 94 Cb -0.14 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1xmh h THR 94 CO -0.08 0.48 0.25 0.58 0.37 0.00 0.00 175.52 177.11 1xmh h VAL 95 N 0.55 1.26 -0.44 3.16 2.07 -0.80 0.11 116.25 122.15 1xmh h VAL 95 Ca 0.05 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1xmh h VAL 95 Cb 0.88 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1xmh h VAL 95 CO 0.08 0.35 0.26 0.00 0.02 0.00 0.00 177.57 178.28 1xmh h ALA 96 N 1.12 0.56 -0.50 1.67 0.00 -0.58 0.19 119.26 121.72 1xmh h ALA 96 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xmh h ALA 96 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xmh h ALA 96 CO -0.01 0.05 0.31 -0.22 0.00 0.00 0.00 179.25 179.38 1xmh h LYS 97 N 0.58 0.68 -0.83 0.00 3.64 -0.68 -2.19 116.57 117.76 1xmh h LYS 97 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1xmh h LYS 97 Cb -0.00 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1xmh h LYS 97 CO -0.03 0.48 0.44 1.98 -2.27 0.00 0.00 179.45 180.06 1xmh h MET 98 N 0.68 1.17 0.00 1.90 4.05 -0.27 -1.94 114.93 120.51 1xmh h MET 98 Ca 0.18 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1xmh h MET 98 Cb -0.03 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.55 1xmh h MET 98 CO -0.04 0.86 -0.03 -0.91 0.23 0.00 0.00 176.91 177.03 1xmh h ASN 99 N 1.17 0.00 0.97 1.39 2.35 -0.58 -2.63 115.58 118.25 1xmh h ASN 99 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1xmh h ASN 99 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1xmh h ASN 99 CO -0.05 0.03 -0.77 0.00 -1.65 0.00 0.00 177.43 174.99 1xmh h ALA 100 N 1.97 0.56 -1.40 -0.83 0.00 -0.77 -3.47 119.26 115.32 1xmh h ALA 100 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1xmh h ALA 100 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.44 1xmh h ALA 100 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 179.25 179.44 1xmh n ALA 101 N -2.00 -2.05 0.10 0.00 0.00 -0.80 -4.88 120.51 110.89 1xmh n ALA 101 Ca 0.02 0.53 -0.01 0.00 0.00 0.00 0.00 53.44 53.98 1xmh n ALA 101 Cb 0.49 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1xmh n ALA 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xmh h LYS 102 N 3.44 0.00 -3.39 0.00 6.56 -1.92 -3.48 116.57 117.78 1xmh h LYS 102 Ca -0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.08 1xmh h LYS 102 Cb 1.38 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.99 1xmh h LYS 102 CO 0.70 0.63 0.07 0.16 -2.06 0.00 0.00 179.45 178.95 1xmh s ASP 103 N -6.47 0.07 0.59 0.86 1.47 -1.26 -5.04 116.67 106.89 1xmh s ASP 103 Ca 0.02 -1.01 0.32 0.00 1.18 0.00 0.00 52.55 53.07 1xmh s ASP 103 Cb 0.08 0.71 1.84 0.00 -0.34 0.00 0.00 42.92 45.21 1xmh s ASP 103 CO 0.78 -1.38 2.23 0.07 0.68 0.00 0.00 175.17 177.55 1xmh h LYS 104 N 2.09 0.00 0.07 2.11 2.10 -1.93 -0.79 116.57 120.22 1xmh h LYS 104 Ca -0.26 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.11 1xmh h LYS 104 Cb 1.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1xmh h LYS 104 CO 0.34 0.03 -1.15 -1.49 -2.00 0.00 0.00 179.45 175.18 1xmh h TRP 105 N 0.00 0.93 -0.12 0.07 4.06 -1.97 -1.96 115.95 116.96 1xmh h TRP 105 Ca -0.00 -0.56 -0.03 0.00 2.06 0.00 0.00 58.89 60.36 1xmh h TRP 105 Cb 0.10 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1xmh h TRP 105 CO 0.00 1.40 -0.04 1.49 -3.56 0.00 0.00 178.44 177.73 1xmh h GLU 106 N 0.29 0.25 -0.75 0.49 4.81 -1.84 -3.06 114.58 114.76 1xmh h GLU 106 Ca -0.15 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1xmh h GLU 106 Cb 1.81 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.14 1xmh h GLU 106 CO 0.22 0.56 0.50 0.00 -0.73 0.00 0.00 179.01 179.55 1xmh h ALA 107 N 0.68 1.47 -0.15 2.92 0.00 -1.19 -2.39 119.26 120.59 1xmh h ALA 107 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1xmh h ALA 107 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xmh h ALA 107 CO 0.01 0.49 -0.47 1.05 0.00 0.00 0.00 179.25 180.34 1xmh h GLU 108 N 1.01 0.38 -0.57 0.00 4.11 -1.35 -2.24 114.58 115.94 1xmh h GLU 108 Ca 0.28 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.39 1xmh h GLU 108 Cb -0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1xmh h GLU 108 CO -0.06 0.78 -0.05 0.87 0.07 0.00 0.00 179.01 180.61 1xmh h LYS 109 N 0.31 1.04 0.04 1.06 1.57 -1.34 -1.15 116.57 118.10 1xmh h LYS 109 Ca 0.02 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1xmh h LYS 109 Cb 0.95 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1xmh h LYS 109 CO 0.08 1.05 -0.02 0.82 -0.57 0.00 0.00 179.45 180.81 1xmh h ILE 110 N 0.92 1.06 0.46 1.86 2.04 -1.26 -1.23 117.51 121.36 1xmh h ILE 110 Ca 0.15 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1xmh h ILE 110 Cb 0.62 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1xmh h ILE 110 CO 0.04 0.09 -0.22 -0.74 0.00 0.00 0.00 178.15 177.32 1xmh h HIS 111 N -0.21 -0.57 -0.79 1.37 2.76 -1.37 -1.73 115.15 114.61 1xmh h HIS 111 Ca -0.01 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1xmh h HIS 111 Cb 0.19 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.28 1xmh h HIS 111 CO -0.02 -0.29 0.48 0.82 -1.30 0.00 0.00 177.93 177.61 1xmh h ILE 112 N -0.75 1.03 -0.11 6.26 2.04 -1.26 -1.71 117.51 123.02 1xmh h ILE 112 Ca -0.06 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1xmh h ILE 112 Cb 0.54 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1xmh h ILE 112 CO 0.10 0.16 -0.34 1.23 0.00 0.00 0.00 178.15 179.31 1xmh h GLY 113 N 0.89 0.23 0.99 5.37 0.00 -1.19 -1.89 103.07 107.47 1xmh h GLY 113 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1xmh h GLY 113 CO -0.17 0.17 0.21 -2.75 0.00 0.00 0.00 176.54 174.00 1xmh h PHE 114 N 0.18 0.88 -0.11 5.60 3.57 -0.43 -1.38 116.94 125.25 1xmh h PHE 114 Ca 0.02 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1xmh h PHE 114 Cb 0.69 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xmh h PHE 114 CO 0.01 0.73 0.02 0.00 -2.23 0.00 0.00 178.31 176.84 1xmh h ARG 115 N 0.78 0.19 -0.81 1.11 3.08 -1.11 0.84 114.38 118.46 1xmh h ARG 115 Ca 0.19 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1xmh h ARG 115 Cb 0.23 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1xmh h ARG 115 CO -0.01 0.37 0.53 1.96 -1.07 0.00 0.00 179.97 181.75 1xmh h GLN 116 N -0.03 0.90 0.07 0.04 4.20 -1.15 -1.99 115.11 117.14 1xmh h GLN 116 Ca 0.04 -0.05 -0.32 0.00 0.06 0.00 0.00 58.65 58.37 1xmh h GLN 116 Cb 0.27 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1xmh h GLN 116 CO 0.00 0.59 -1.78 0.00 -0.67 0.00 0.00 178.83 176.98 1xmh h ALA 117 N 1.55 0.56 -0.05 3.87 0.00 -1.13 -3.43 119.26 120.63 1xmh h ALA 117 Ca 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1xmh h ALA 117 Cb 0.17 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xmh h ALA 117 CO -0.12 1.41 0.00 0.66 0.00 0.00 0.00 179.25 181.20 1xmh n TYR 118 N -3.28 0.06 -1.61 0.00 4.02 0.28 -4.86 117.16 111.76 1xmh n TYR 118 Ca -0.22 -0.12 -0.45 0.00 -0.01 0.00 0.00 57.90 57.10 1xmh n TYR 118 Cb 1.05 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 40.34 1xmh n TYR 118 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1xmh n LYS 119 N 0.29 1.48 -1.53 -0.72 4.81 -0.75 -1.26 118.16 120.48 1xmh n LYS 119 Ca 0.04 0.52 -0.37 0.00 -0.87 0.00 0.00 58.31 57.63 1xmh n LYS 119 Cb 0.20 -1.97 0.05 0.00 0.02 0.00 0.00 35.03 33.34 1xmh n LYS 119 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xmh n PRO 120 N 1.01 0.69 -0.18 1.64 -0.02 -1.25 -1.17 135.00 135.72 1xmh n PRO 120 Ca 0.10 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1xmh n PRO 120 Cb 0.31 -2.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1xmh n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xmh n PRO 121 N -0.85 1.31 0.00 0.52 -0.04 -1.26 -4.91 135.00 129.76 1xmh n PRO 121 Ca 0.13 -0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.10 1xmh n PRO 121 Cb 0.48 -1.30 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1xmh n PRO 121 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1xmh h ILE 122 N 0.28 0.00 -3.13 0.52 1.08 -1.32 -3.39 117.51 111.55 1xmh h ILE 122 Ca 0.07 -0.47 -0.59 0.00 -0.39 0.00 0.00 64.86 63.49 1xmh h ILE 122 Cb 1.15 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1xmh h ILE 122 CO 0.15 0.00 -0.25 -0.32 -0.69 0.00 0.00 178.15 177.04 1xmh s MET 123 N -1.58 3.74 0.43 2.37 1.75 -0.39 0.32 119.30 125.94 1xmh s MET 123 Ca -0.01 0.14 -0.26 0.00 -1.25 0.00 0.00 55.69 54.31 1xmh s MET 123 Cb 0.00 -2.96 -0.09 0.00 2.84 0.00 0.00 34.83 34.62 1xmh s MET 123 CO 0.03 0.53 1.34 -2.30 -0.65 0.00 0.00 175.02 173.97 1xmh n PRO 124 N 0.72 2.10 -0.24 4.11 -0.02 -1.26 -3.89 135.00 136.52 1xmh n PRO 124 Ca -0.07 0.75 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 1xmh n PRO 124 Cb 0.52 -2.49 0.16 0.00 -0.02 0.00 0.00 33.50 31.67 1xmh n PRO 124 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xmh h VAL 125 N 2.23 0.64 -0.49 -1.45 2.07 -1.94 -1.79 116.25 115.53 1xmh h VAL 125 Ca -0.49 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1xmh h VAL 125 Cb 1.28 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1xmh h VAL 125 CO 0.61 0.07 0.17 0.78 0.02 0.00 0.00 177.57 179.22 1xmh h ASN 126 N 0.37 0.18 -0.32 0.57 2.35 -1.93 -1.16 115.58 115.63 1xmh h ASN 126 Ca 0.38 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 56.04 1xmh h ASN 126 Cb 0.57 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1xmh h ASN 126 CO -0.41 0.13 -0.36 1.88 -1.65 0.00 0.00 177.43 177.02 1xmh h TYR 127 N 0.35 0.99 -0.52 1.19 -1.99 -1.82 -2.61 116.97 112.55 1xmh h TYR 127 Ca 0.23 -0.30 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1xmh h TYR 127 Cb 0.24 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1xmh h TYR 127 CO -0.16 1.10 0.33 0.35 -0.00 0.00 0.00 178.16 179.78 1xmh h PHE 128 N 0.59 0.62 0.00 4.88 3.57 -0.97 0.44 116.94 126.09 1xmh h PHE 128 Ca 0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1xmh h PHE 128 Cb 0.95 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1xmh h PHE 128 CO 0.07 0.38 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.30 1xmh h LEU 129 N 0.67 0.00 -0.39 0.59 3.38 -1.27 -0.22 115.31 118.07 1xmh h LEU 129 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 1xmh h LEU 129 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xmh h LEU 129 CO -0.06 0.16 -0.65 -0.78 0.09 0.00 0.00 178.44 177.19 1xmh h ASP 130 N 0.00 0.66 -0.28 -0.43 1.82 -1.03 -1.78 116.42 115.38 1xmh h ASP 130 Ca -0.00 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 1xmh h ASP 130 Cb 0.88 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1xmh h ASP 130 CO 0.02 1.14 0.07 1.23 -1.61 0.00 0.00 179.24 180.09 1xmh h GLY 131 N 1.01 0.49 0.44 -0.78 0.00 -0.24 -2.27 103.07 101.72 1xmh h GLY 131 Ca -0.02 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.12 1xmh h GLY 131 CO 0.12 0.28 0.42 0.83 0.00 0.00 0.00 176.54 178.20 1xmh h GLU 132 N 0.29 0.67 0.25 4.80 4.39 -0.94 0.22 114.58 124.26 1xmh h GLU 132 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xmh h GLU 132 Cb 0.28 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1xmh h GLU 132 CO 0.00 0.44 -0.24 -0.09 -1.16 0.00 0.00 179.01 177.96 1xmh h ARG 133 N 0.69 -0.50 -0.06 2.33 2.43 -1.02 -1.08 114.38 117.17 1xmh h ARG 133 Ca 0.40 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1xmh h ARG 133 Cb 0.43 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1xmh h ARG 133 CO -0.28 -0.34 -0.29 1.96 -1.51 0.00 0.00 179.97 179.51 1xmh h GLN 134 N -0.52 0.30 -0.50 0.20 4.20 -0.88 -3.04 115.11 114.87 1xmh h GLN 134 Ca -0.01 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 1xmh h GLN 134 Cb 0.48 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1xmh h GLN 134 CO -0.05 0.89 0.07 -0.07 -0.67 0.00 0.00 178.83 178.99 1xmh h LEU 135 N -0.22 0.80 -1.04 1.46 3.38 -0.65 -2.94 115.31 116.10 1xmh h LEU 135 Ca -0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xmh h LEU 135 Cb 0.94 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1xmh h LEU 135 CO 0.06 0.87 0.56 1.23 0.09 0.00 0.00 178.44 181.25 1xmh h GLY 136 N 0.70 1.30 0.97 0.83 0.00 -1.29 -0.42 103.07 105.15 1xmh h GLY 136 Ca 0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1xmh h GLY 136 CO 0.01 0.51 -0.09 -0.84 0.00 0.00 0.00 176.54 176.13 1xmh h THR 137 N 1.24 0.84 -0.34 4.70 2.02 -1.40 -1.28 112.91 118.69 1xmh h THR 137 Ca 0.33 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1xmh h THR 137 Cb -0.08 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xmh h THR 137 CO -0.06 0.02 0.17 -0.09 0.37 0.00 0.00 175.52 175.92 1xmh h ARG 138 N -0.28 0.49 -0.33 6.66 9.65 -1.34 -0.57 114.38 128.66 1xmh h ARG 138 Ca -0.02 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1xmh h ARG 138 Cb 0.21 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.65 1xmh h ARG 138 CO 0.04 0.45 -0.02 1.25 2.80 0.00 0.00 179.97 184.48 1xmh h LEU 139 N 0.42 -0.18 -0.65 3.80 5.85 -0.99 -1.28 115.31 122.28 1xmh h LEU 139 Ca 0.12 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1xmh h LEU 139 Cb 0.11 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1xmh h LEU 139 CO -0.02 -0.05 0.16 0.24 -0.34 0.00 0.00 178.44 178.43 1xmh h MET 140 N 0.07 1.04 -0.52 1.25 2.86 -1.02 -0.72 114.93 117.90 1xmh h MET 140 Ca 0.16 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1xmh h MET 140 Cb 0.23 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1xmh h MET 140 CO -0.29 0.94 0.30 0.93 1.06 0.00 0.00 176.91 179.85 1xmh h GLU 141 N 0.97 0.58 -0.40 1.72 5.08 -0.61 0.16 114.58 122.08 1xmh h GLU 141 Ca 0.20 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1xmh h GLU 141 Cb 0.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xmh h GLU 141 CO 0.00 0.39 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.09 1xmh h LEU 142 N 0.60 0.89 -0.19 1.33 3.38 -1.06 -3.25 115.31 117.01 1xmh h LEU 142 Ca 0.21 -0.42 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1xmh h LEU 142 Cb 0.04 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xmh h LEU 142 CO -0.10 1.12 -0.63 0.03 0.09 0.00 0.00 178.44 178.94 1xmh h ARG 143 N 0.67 0.76 -0.04 1.13 3.08 -0.84 -3.29 114.38 115.84 1xmh h ARG 143 Ca 0.08 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1xmh h ARG 143 Cb 0.80 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1xmh h ARG 143 CO 0.07 1.18 0.00 0.09 -1.07 0.00 0.00 179.97 180.24 1xmh n ASN 144 N -4.04 0.29 -4.64 7.04 3.02 0.53 -4.46 115.26 112.99 1xmh n ASN 144 Ca -0.07 -1.74 -0.41 0.00 -0.03 0.00 0.00 54.58 52.34 1xmh n ASN 144 Cb 0.67 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.76 1xmh n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xmh s LEU 145 N -1.29 4.10 -1.47 3.41 2.96 -1.23 -3.95 118.68 121.21 1xmh s LEU 145 Ca 0.16 0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 54.82 1xmh s LEU 145 Cb 0.08 -2.96 0.06 0.00 0.50 0.00 0.00 46.19 43.87 1xmh s LEU 145 CO 0.12 -0.37 0.86 0.59 -1.32 0.00 0.00 176.35 176.23 1xmh n ASN 146 N 5.54 -3.47 -0.32 3.68 3.02 -1.26 -4.86 115.26 117.59 1xmh n ASN 146 Ca 0.01 -0.82 0.20 0.00 -0.03 0.00 0.00 54.58 53.94 1xmh n ASN 146 Cb 0.49 -3.83 0.46 0.00 -0.61 0.00 0.00 39.78 36.29 1xmh n ASN 146 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xmh h TYR 147 N -1.99 0.78 -0.05 3.10 3.20 -1.78 -2.50 116.97 117.73 1xmh h TYR 147 Ca -0.59 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.30 1xmh h TYR 147 Cb 1.37 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1xmh h TYR 147 CO 0.54 0.10 0.00 0.66 -1.64 0.00 0.00 178.16 177.82 1xmh n TYR 148 N -4.68 0.03 -0.20 -3.82 4.02 -1.26 -4.57 117.16 106.68 1xmh n TYR 148 Ca 0.25 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.90 58.05 1xmh n TYR 148 Cb 0.78 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.13 1xmh n TYR 148 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1xmh h ASP 149 N 4.48 0.76 -2.86 7.72 3.32 -1.82 -3.41 116.42 124.60 1xmh h ASP 149 Ca 0.00 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.34 1xmh h ASP 149 Cb 0.95 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1xmh h ASP 149 CO 0.00 0.70 0.93 -0.89 -1.72 0.00 0.00 179.24 178.26 1xmh s THR 150 N -5.63 4.14 0.60 0.35 2.01 -1.26 -4.99 115.64 110.86 1xmh s THR 150 Ca -0.13 1.39 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 1xmh s THR 150 Cb 0.12 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1xmh s THR 150 CO 0.78 -0.12 1.20 -2.16 -0.69 0.00 0.00 174.62 173.63 1xmh s PRO 151 N 3.55 2.93 0.39 4.92 0.04 -1.26 -4.69 135.00 140.88 1xmh s PRO 151 Ca 0.58 1.78 0.17 0.00 0.04 0.00 0.00 61.00 63.58 1xmh s PRO 151 Cb -0.24 -1.93 1.08 0.00 0.04 0.00 0.00 34.50 33.45 1xmh s PRO 151 CO 0.18 -1.23 1.77 -0.07 0.04 0.00 0.00 177.00 177.69 1xmh h LEU 152 N 0.78 0.47 -0.81 -3.56 3.38 -1.94 0.79 115.31 114.41 1xmh h LEU 152 Ca -0.50 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1xmh h LEU 152 Cb 1.29 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1xmh h LEU 152 CO 0.55 0.10 0.41 -0.33 0.09 0.00 0.00 178.44 179.25 1xmh h GLU 153 N 0.42 1.16 0.20 1.13 3.07 -2.01 -1.66 114.58 116.90 1xmh h GLU 153 Ca 0.59 -0.16 -0.31 0.00 -0.50 0.00 0.00 59.36 58.97 1xmh h GLU 153 Cb 1.44 -0.21 0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1xmh h GLU 153 CO -0.30 0.89 -1.40 1.49 -1.40 0.00 0.00 179.01 178.29 1xmh h GLU 154 N 1.15 0.41 -0.71 2.33 4.57 -1.29 -3.28 114.58 117.76 1xmh h GLU 154 Ca 0.28 -0.71 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1xmh h GLU 154 Cb 0.10 0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1xmh h GLU 154 CO -0.04 1.33 0.37 1.25 -1.18 0.00 0.00 179.01 180.74 1xmh h LEU 155 N 0.11 0.91 -0.75 1.64 5.85 -0.89 -0.29 115.31 121.89 1xmh h LEU 155 Ca -0.21 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.48 1xmh h LEU 155 Cb 2.08 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1xmh h LEU 155 CO 0.24 0.77 0.41 0.03 -0.34 0.00 0.00 178.44 179.54 1xmh h ARG 156 N 0.99 0.68 -0.61 1.25 3.08 -1.41 0.25 114.38 118.60 1xmh h ARG 156 Ca 0.25 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1xmh h ARG 156 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1xmh h ARG 156 CO -0.04 0.45 0.05 0.87 -1.07 0.00 0.00 179.97 180.24 1xmh h LYS 157 N 0.70 1.05 -0.16 0.04 1.57 -1.43 0.27 116.57 118.61 1xmh h LYS 157 Ca 0.36 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xmh h LYS 157 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xmh h LYS 157 CO -0.24 1.00 0.05 1.96 -0.57 0.00 0.00 179.45 181.65 1xmh h GLN 158 N 0.95 0.24 -0.04 3.15 4.20 0.09 -2.04 115.11 121.66 1xmh h GLN 158 Ca 0.18 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1xmh h GLN 158 Cb 0.50 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1xmh h GLN 158 CO 0.02 0.35 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.28 1xmh h ARG 159 N 0.08 0.07 -1.00 1.46 9.65 -0.39 -3.47 114.38 120.79 1xmh h ARG 159 Ca 0.05 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1xmh h ARG 159 Cb 0.21 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1xmh h ARG 159 CO -0.00 0.24 -0.03 0.41 2.80 0.00 0.00 179.97 183.38 1xmh n GLY 160 N -0.98 0.75 3.91 2.80 0.00 0.91 -5.06 105.19 107.52 1xmh n GLY 160 Ca -0.02 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1xmh n GLY 160 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xmh s VAL 161 N -2.79 3.71 -0.32 1.61 -7.23 -0.92 -5.03 120.40 109.43 1xmh s VAL 161 Ca 0.02 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.24 1xmh s VAL 161 Cb -0.01 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.44 1xmh s VAL 161 CO 0.03 -0.54 0.17 -0.60 -0.31 0.00 0.00 175.10 173.85 1xmh s ARG 162 N -5.07 3.27 -0.44 4.82 3.52 -1.26 -4.83 118.95 118.97 1xmh s ARG 162 Ca 0.54 -0.77 -0.28 0.00 -0.13 0.00 0.00 55.73 55.09 1xmh s ARG 162 Cb -0.11 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1xmh s ARG 162 CO 0.47 -0.46 1.54 0.08 -0.81 0.00 0.00 175.30 176.11 1xmh s VAL 163 N 1.61 3.74 -0.13 7.11 1.01 -1.26 -4.86 120.40 127.63 1xmh s VAL 163 Ca 0.04 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1xmh s VAL 163 Cb -0.17 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 1xmh s VAL 163 CO 0.07 -0.77 0.64 0.58 0.00 0.00 0.00 175.10 175.62 1xmh h VAL 164 N 6.56 1.40 -2.67 2.92 2.07 -2.06 -3.48 116.25 121.01 1xmh h VAL 164 Ca -0.29 -2.37 -0.11 0.00 0.82 0.00 0.00 66.70 64.75 1xmh h VAL 164 Cb 1.12 2.98 -0.25 0.00 -1.52 0.00 0.00 31.29 33.62 1xmh h VAL 164 CO 1.10 0.59 -0.26 -2.28 0.02 0.00 0.00 177.57 176.75 1xmh s HIS 165 N -2.35 -0.54 0.03 1.57 2.46 -1.26 -5.16 115.29 110.04 1xmh s HIS 165 Ca -0.20 1.23 0.03 0.00 0.47 0.00 0.00 55.06 56.59 1xmh s HIS 165 Cb 0.01 0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.66 1xmh s HIS 165 CO 0.72 -0.29 -0.10 -0.51 -2.47 0.00 0.00 174.74 172.09 1xmh s LEU 166 N 0.84 2.15 -0.11 8.88 1.43 -1.26 -5.15 118.68 125.45 1xmh s LEU 166 Ca -0.05 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1xmh s LEU 166 Cb -0.06 -0.40 0.06 0.00 0.03 0.00 0.00 46.19 45.82 1xmh s LEU 166 CO -0.06 -0.02 0.59 0.00 0.23 0.00 0.00 176.35 177.09 1xmh s GLN 167 N -0.96 0.86 0.00 1.70 -2.07 -1.26 -5.30 119.66 112.63 1xmh s GLN 167 Ca -0.01 0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.93 1xmh s GLN 167 Cb -0.07 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1xmh s GLN 167 CO 0.01 -0.21 0.00 -1.13 -1.32 0.00 0.00 175.29 172.63