#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmh n GLY 5 N 0.00 2.98 0.19 1.47 0.00 -1.24 -4.73 105.19 103.85 1xmh n GLY 5 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 1.03 0.31 0.00 -0.61 1.08 -2.01 -3.39 117.51 113.92 1xmh h ILE 6 Ca 0.00 -0.83 -0.11 0.00 -0.39 0.00 0.00 64.86 63.53 1xmh h ILE 6 Cb 0.00 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1xmh h ILE 6 CO 0.00 0.08 -1.53 1.41 -0.69 0.00 0.00 178.15 177.42 1xmh n HIS 7 N -5.03 0.67 -3.78 1.37 8.25 -1.26 -4.85 115.22 110.59 1xmh n HIS 7 Ca -0.07 0.21 -0.24 0.00 -0.26 0.00 0.00 57.72 57.37 1xmh n HIS 7 Cb 0.22 -0.92 -0.17 0.00 1.12 0.00 0.00 29.99 30.23 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 -5.37 1.85 0.24 0.41 0.15 -1.26 -5.06 113.70 104.66 1xmh s SER 8 Ca -0.04 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 1xmh s SER 8 Cb 0.10 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1xmh s SER 8 CO 0.83 -0.20 0.52 0.54 1.20 0.00 0.00 173.24 176.12 1xmh s ASN 9 N 1.92 -0.13 0.28 5.45 2.20 -1.26 -3.72 114.94 119.69 1xmh s ASN 9 Ca 0.04 -0.83 -0.02 0.00 -0.94 0.00 0.00 52.86 51.11 1xmh s ASN 9 Cb -0.13 0.60 0.41 0.00 -2.00 0.00 0.00 41.25 40.14 1xmh s ASN 9 CO -0.06 -1.16 1.93 0.44 -2.94 0.00 0.00 177.10 175.31 1xmh h ASP 10 N 2.22 1.01 -0.39 3.54 3.32 -1.94 -1.12 116.42 123.05 1xmh h ASP 10 Ca -0.25 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.83 1xmh h ASP 10 Cb 1.25 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1xmh h ASP 10 CO 0.34 0.69 0.14 0.74 -1.72 0.00 0.00 179.24 179.44 1xmh h THR 11 N 1.17 0.89 -0.22 0.35 2.02 -1.98 0.17 112.91 115.31 1xmh h THR 11 Ca 0.37 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 1xmh h THR 11 Cb 0.00 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1xmh h THR 11 CO -0.11 0.06 -0.05 0.03 0.37 0.00 0.00 175.52 175.82 1xmh h ARG 12 N 0.31 0.42 -0.82 6.66 3.08 -1.85 -2.54 114.38 119.64 1xmh h ARG 12 Ca 0.18 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1xmh h ARG 12 Cb 0.16 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1xmh h ARG 12 CO -0.18 0.66 0.49 -0.44 -1.07 0.00 0.00 179.97 179.42 1xmh h ASP 13 N 0.15 0.72 0.07 7.04 3.32 -0.90 -0.96 116.42 125.87 1xmh h ASP 13 Ca 0.06 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1xmh h ASP 13 Cb 0.50 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1xmh h ASP 13 CO 0.02 0.44 -0.24 0.00 -1.72 0.00 0.00 179.24 177.74 1xmh h ALA 14 N 1.43 -0.37 0.00 3.45 0.00 -0.46 -1.96 119.26 121.34 1xmh h ALA 14 Ca 0.38 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1xmh h ALA 14 Cb 0.28 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xmh h ALA 14 CO -0.21 -0.76 -0.22 -1.49 0.00 0.00 0.00 179.25 176.57 1xmh h TRP 15 N -0.41 0.00 -0.26 0.00 4.06 -1.02 -1.43 115.95 116.88 1xmh h TRP 15 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1xmh h TRP 15 Cb 0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1xmh h TRP 15 CO -0.24 0.22 0.13 0.28 -3.56 0.00 0.00 178.44 175.27 1xmh h VAL 16 N 0.00 1.14 -0.45 1.49 2.07 -0.46 0.16 116.25 120.20 1xmh h VAL 16 Ca -0.00 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1xmh h VAL 16 Cb 0.44 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1xmh h VAL 16 CO 0.03 0.14 -0.09 0.78 0.02 0.00 0.00 177.57 178.45 1xmh h ASN 17 N 0.30 0.85 -0.86 0.57 2.35 -1.08 -1.07 115.58 116.63 1xmh h ASN 17 Ca 0.09 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1xmh h ASN 17 Cb 0.11 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1xmh h ASN 17 CO -0.01 1.00 0.56 0.50 -1.65 0.00 0.00 177.43 177.83 1xmh h LYS 18 N 0.68 0.92 0.00 0.81 3.64 -0.96 -1.34 116.57 120.32 1xmh h LYS 18 Ca 0.12 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1xmh h LYS 18 Cb 0.62 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1xmh h LYS 18 CO 0.04 0.61 -0.81 0.82 -2.27 0.00 0.00 179.45 177.84 1xmh h ILE 19 N 0.95 1.52 -0.25 2.00 2.04 -0.40 -3.20 117.51 120.17 1xmh h ILE 19 Ca 0.37 -2.84 -0.08 0.00 1.00 0.00 0.00 64.86 63.32 1xmh h ILE 19 Cb 0.24 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1xmh h ILE 19 CO -0.14 0.79 -0.18 0.00 0.00 0.00 0.00 178.15 178.62 1xmh h ALA 20 N 1.19 1.23 0.00 1.87 0.00 -0.09 -2.07 119.26 121.39 1xmh h ALA 20 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xmh h ALA 20 Cb 1.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xmh h ALA 20 CO 0.11 0.50 0.00 1.96 0.00 0.00 0.00 179.25 181.81 1xmh h GLN 21 N 0.39 0.00 -6.83 0.00 1.08 -1.39 -3.43 115.11 104.93 1xmh h GLN 21 Ca 0.07 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.75 1xmh h GLN 21 Cb 0.55 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1xmh h GLN 21 CO 0.04 0.00 0.59 -0.51 -0.95 0.00 0.00 178.83 177.99 1xmh s LEU 22 N -4.62 4.47 0.00 1.46 1.43 -0.78 -4.92 118.68 115.71 1xmh s LEU 22 Ca 0.03 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1xmh s LEU 22 Cb 0.09 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1xmh s LEU 22 CO 0.38 -0.40 0.61 0.59 0.23 0.00 0.00 176.35 177.76 1xmh n ASN 23 N 1.20 0.00 -3.76 2.29 3.02 -1.26 -5.06 115.26 111.69 1xmh n ASN 23 Ca 0.01 -1.37 -0.14 0.00 -0.03 0.00 0.00 54.58 53.04 1xmh n ASN 23 Cb 0.43 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1xmh n ASN 23 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xmh s THR 24 N 0.00 -0.05 0.17 3.41 2.01 -1.26 -5.05 115.64 114.87 1xmh s THR 24 Ca 0.00 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 1xmh s THR 24 Cb 0.00 -0.20 0.11 0.00 0.01 0.00 0.00 72.50 72.42 1xmh s THR 24 CO 0.00 0.08 1.68 0.25 -0.69 0.00 0.00 174.62 175.93 1xmh h LEU 25 N 7.22 -0.28 -0.64 4.42 5.85 -1.94 0.35 115.31 130.29 1xmh h LEU 25 Ca -0.43 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1xmh h LEU 25 Cb 1.14 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1xmh h LEU 25 CO 0.44 -0.10 0.37 -0.08 -0.34 0.00 0.00 178.44 178.74 1xmh h GLU 26 N 0.06 0.70 0.58 1.25 4.81 -1.97 0.69 114.58 120.69 1xmh h GLU 26 Ca 0.22 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1xmh h GLU 26 Cb 0.32 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xmh h GLU 26 CO -0.40 0.46 -0.28 0.87 -0.73 0.00 0.00 179.01 178.93 1xmh h LYS 27 N 0.72 -0.75 -0.87 1.92 1.57 -1.65 -0.71 116.57 116.81 1xmh h LYS 27 Ca 0.27 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xmh h LYS 27 Cb 0.09 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1xmh h LYS 27 CO -0.13 -0.44 0.55 0.00 -0.57 0.00 0.00 179.45 178.85 1xmh h ALA 28 N -0.75 1.10 -0.56 3.86 0.00 -0.23 -1.76 119.26 120.92 1xmh h ALA 28 Ca -0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xmh h ALA 28 Cb 0.66 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xmh h ALA 28 CO 0.13 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.98 1xmh h ALA 29 N 1.30 1.05 -0.58 0.00 0.00 0.39 -1.89 119.26 119.53 1xmh h ALA 29 Ca 0.31 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1xmh h ALA 29 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1xmh h ALA 29 CO -0.06 0.61 -0.01 1.49 0.00 0.00 0.00 179.25 181.27 1xmh h GLU 30 N 0.87 1.03 -0.18 0.00 4.57 -0.70 -2.77 114.58 117.39 1xmh h GLU 30 Ca 0.17 -0.33 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1xmh h GLU 30 Cb 0.42 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1xmh h GLU 30 CO 0.01 1.02 -0.23 1.98 -1.18 0.00 0.00 179.01 180.61 1xmh h MET 31 N 0.92 0.32 0.24 1.92 4.05 -1.04 -2.23 114.93 119.11 1xmh h MET 31 Ca 0.16 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1xmh h MET 31 Cb 0.56 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1xmh h MET 31 CO 0.03 0.54 -0.11 1.25 0.23 0.00 0.00 176.91 178.85 1xmh h LEU 32 N 0.29 -0.27 -1.53 3.39 5.85 -1.10 0.51 115.31 122.46 1xmh h LEU 32 Ca 0.05 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xmh h LEU 32 Cb 0.57 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xmh h LEU 32 CO 0.04 0.01 0.30 0.50 -0.34 0.00 0.00 178.44 178.95 1xmh h LYS 33 N -0.56 0.62 -0.27 1.25 3.64 -1.45 -0.69 116.57 119.11 1xmh h LYS 33 Ca -0.03 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 1xmh h LYS 33 Cb 0.41 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1xmh h LYS 33 CO 0.05 0.41 -0.52 0.37 -2.27 0.00 0.00 179.45 177.49 1xmh h GLN 34 N 0.63 0.79 -0.76 1.90 5.75 -1.23 -2.25 115.11 119.94 1xmh h GLN 34 Ca 0.17 -0.48 -0.04 0.00 -0.15 0.00 0.00 58.65 58.15 1xmh h GLN 34 Cb -0.06 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1xmh h GLN 34 CO -0.04 1.11 0.33 0.35 -2.65 0.00 0.00 178.83 177.94 1xmh h PHE 35 N 0.61 1.12 -0.04 3.99 3.57 0.05 -1.40 116.94 124.84 1xmh h PHE 35 Ca 0.02 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1xmh h PHE 35 Cb 1.11 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1xmh h PHE 35 CO 0.06 0.84 -0.32 0.00 -2.23 0.00 0.00 178.31 176.66 1xmh h ARG 36 N 1.08 0.08 0.01 1.11 3.08 -1.01 0.81 114.38 119.54 1xmh h ARG 36 Ca 0.26 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.07 1xmh h ARG 36 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1xmh h ARG 36 CO -0.03 0.40 -0.91 0.52 -1.07 0.00 0.00 179.97 178.88 1xmh h MET 37 N 0.07 0.19 0.02 0.04 2.86 -0.90 -2.95 114.93 114.27 1xmh h MET 37 Ca 0.01 -0.23 -0.26 0.00 -2.06 0.00 0.00 59.70 57.16 1xmh h MET 37 Cb 0.61 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1xmh h MET 37 CO 0.04 0.98 -1.38 -0.44 1.06 0.00 0.00 176.91 177.17 1xmh h ASP 38 N 0.10 0.05 0.00 1.22 3.45 -0.90 -2.50 116.42 117.85 1xmh h ASP 38 Ca -0.05 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1xmh h ASP 38 Cb 1.56 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.31 1xmh h ASP 38 CO 0.14 1.07 0.00 1.41 -1.57 0.00 0.00 179.24 180.29 1xmh n HIS 39 N -3.23 0.00 -4.37 4.55 8.25 0.25 -1.55 115.22 119.11 1xmh n HIS 39 Ca -0.10 -0.10 -0.25 0.00 -0.26 0.00 0.00 57.72 57.01 1xmh n HIS 39 Cb 1.00 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.98 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 -0.21 2.07 0.24 1.59 -4.23 -1.11 -4.91 115.64 109.07 1xmh s THR 40 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1xmh s THR 40 Cb 0.00 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1xmh s THR 40 CO 0.00 -0.16 0.00 0.35 -0.54 0.00 0.00 174.62 174.27 1xmh n THR 41 N 0.46 -0.36 0.20 3.99 -2.24 -1.26 -3.05 114.28 112.02 1xmh n THR 41 Ca -0.14 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 1xmh n THR 41 Cb 0.56 -0.55 0.71 0.00 -2.10 0.00 0.00 70.33 68.94 1xmh n THR 41 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xmh h PRO 42 N -0.55 0.00 -0.44 -0.78 0.11 -2.01 -1.13 132.00 127.20 1xmh h PRO 42 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1xmh h PRO 42 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1xmh h PRO 42 CO 0.03 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.01 1xmh n PHE 43 N -2.41 0.59 -1.24 0.65 3.72 -1.26 -4.98 117.46 112.53 1xmh n PHE 43 Ca -0.02 -0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 56.74 1xmh n PHE 43 Cb 0.04 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.91 0.32 0.23 -1.08 1.85 -0.43 -4.89 116.66 113.57 1xmh n ARG 44 Ca 0.17 0.16 0.11 0.00 -1.00 0.00 0.00 57.85 57.29 1xmh n ARG 44 Cb 0.42 -2.07 0.44 0.00 -1.05 0.00 0.00 32.46 30.20 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 -0.49 0.00 -5.02 2.89 -0.26 -1.03 -3.46 115.58 108.21 1xmh h ASN 45 Ca -0.46 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.23 1xmh h ASN 45 Cb 1.33 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.44 1xmh h ASN 45 CO 0.44 0.18 0.11 -0.55 -1.06 0.00 0.00 177.43 176.54 1xmh s SER 46 N -6.11 -0.49 -0.16 5.81 0.15 -0.60 -5.04 113.70 107.26 1xmh s SER 46 Ca 0.02 0.15 0.17 0.00 0.70 0.00 0.00 55.95 56.98 1xmh s SER 46 Cb 0.09 0.53 0.49 0.00 -1.71 0.00 0.00 66.02 65.43 1xmh s SER 46 CO 0.63 -0.80 1.38 -1.22 1.20 0.00 0.00 173.24 174.43 1xmh n TYR 47 N 0.15 0.81 0.24 3.44 4.02 -1.26 -4.48 117.16 120.08 1xmh n TYR 47 Ca -0.18 -0.87 0.09 0.00 -0.01 0.00 0.00 57.90 56.93 1xmh n TYR 47 Cb 0.62 -0.28 0.59 0.00 -0.02 0.00 0.00 39.34 40.24 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 1.61 0.00 -0.33 -0.72 4.11 -1.96 -2.73 114.58 114.57 1xmh h GLU 48 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1xmh h GLU 48 Cb 1.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1xmh h GLU 48 CO 0.19 0.19 0.01 1.28 0.07 0.00 0.00 179.01 180.75 1xmh n LEU 49 N -3.89 4.14 -0.31 3.06 4.77 -1.26 -4.77 117.00 118.74 1xmh n LEU 49 Ca -0.02 -3.26 0.14 0.00 -0.03 0.00 0.00 56.01 52.85 1xmh n LEU 49 Cb 0.28 -0.59 0.32 0.00 -2.33 0.00 0.00 43.42 41.10 1xmh n LEU 49 CO 0.33 0.85 1.03 -0.78 -1.33 0.00 0.00 177.39 177.50 1xmh h ASP 50 N 1.59 0.29 0.63 -1.43 3.58 -1.82 0.45 116.42 119.71 1xmh h ASP 50 Ca 0.09 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1xmh h ASP 50 Cb 1.59 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.80 1xmh h ASP 50 CO 0.32 -0.04 -0.08 0.59 -2.88 0.00 0.00 179.24 177.15 1xmh n ASN 51 N -5.08 0.17 0.00 2.28 3.02 -1.26 -4.28 115.26 110.12 1xmh n ASN 51 Ca 0.23 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1xmh n ASN 51 Cb 0.70 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.28 0.08 -0.29 6.41 8.00 0.12 -4.86 116.55 124.73 1xmh n ASP 52 Ca 0.11 -0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.44 1xmh n ASP 52 Cb 0.29 0.40 0.21 0.00 -0.02 0.00 0.00 41.12 42.00 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 1.07 -0.75 1.24 -0.00 -0.41 -0.72 116.97 117.39 1xmh h TYR 53 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.78 1xmh h TYR 53 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 36.73 36.33 1xmh h TYR 53 CO 0.00 0.62 0.48 -0.07 -0.00 0.00 0.00 178.16 179.19 1xmh h LEU 54 N 1.11 0.79 -0.01 0.10 3.38 -1.85 0.20 115.31 119.04 1xmh h LEU 54 Ca 0.35 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.07 1xmh h LEU 54 Cb 0.01 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xmh h LEU 54 CO -0.10 0.55 -0.93 -0.25 0.09 0.00 0.00 178.44 177.79 1xmh h TRP 55 N 0.94 0.96 -0.54 1.13 7.01 -1.82 -3.10 115.95 120.53 1xmh h TRP 55 Ca 0.30 -0.51 -0.03 0.00 2.11 0.00 0.00 58.89 60.75 1xmh h TRP 55 Cb 0.00 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 1xmh h TRP 55 CO -0.03 1.35 0.22 0.82 -2.79 0.00 0.00 178.44 178.01 1xmh h ILE 56 N 0.29 1.22 -0.75 2.65 2.04 -0.88 -2.19 117.51 119.88 1xmh h ILE 56 Ca -0.11 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1xmh h ILE 56 Cb 1.60 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1xmh h ILE 56 CO 0.18 0.25 0.44 -0.08 0.00 0.00 0.00 178.15 178.95 1xmh h GLU 57 N 0.73 0.79 -0.30 2.37 4.81 -0.66 -1.06 114.58 121.25 1xmh h GLU 57 Ca 0.18 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1xmh h GLU 57 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xmh h GLU 57 CO -0.02 0.52 0.14 0.00 -0.73 0.00 0.00 179.01 178.92 1xmh h ALA 58 N 1.37 0.39 0.00 2.92 0.00 -1.40 0.19 119.26 122.73 1xmh h ALA 58 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xmh h ALA 58 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xmh h ALA 58 CO -0.18 -0.03 0.00 0.87 0.00 0.00 0.00 179.25 179.91 1xmh h LYS 59 N 0.35 0.00 0.10 0.00 1.79 -0.86 -1.41 116.57 116.54 1xmh h LYS 59 Ca 0.10 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.30 1xmh h LYS 59 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1xmh h LYS 59 CO -0.01 0.00 -1.43 1.25 -1.08 0.00 0.00 179.45 178.18 1xmh h LEU 60 N 0.00 0.32 -1.62 2.94 5.85 -0.22 -3.31 115.31 119.27 1xmh h LEU 60 Ca 0.00 -0.82 0.05 0.00 0.84 0.00 0.00 57.88 57.95 1xmh h LEU 60 Cb 0.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1xmh h LEU 60 CO 0.00 1.62 0.32 -0.33 -0.34 0.00 0.00 178.44 179.71 1xmh h GLU 61 N -0.38 0.47 0.44 1.25 5.08 0.03 -2.07 114.58 119.40 1xmh h GLU 61 Ca -0.32 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1xmh h GLU 61 Cb 1.71 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1xmh h GLU 61 CO 0.02 0.31 -0.25 0.93 -1.00 0.00 0.00 179.01 179.02 1xmh h GLU 62 N 0.48 -0.62 -0.25 2.33 5.08 -1.40 0.20 114.58 120.41 1xmh h GLU 62 Ca 0.20 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1xmh h GLU 62 Cb 0.20 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1xmh h GLU 62 CO -0.05 -0.41 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.21 1xmh h LYS 63 N -0.64 -0.08 0.03 2.33 1.63 -1.51 -0.68 116.57 117.65 1xmh h LYS 63 Ca -0.05 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1xmh h LYS 63 Cb 0.51 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1xmh h LYS 63 CO 0.07 -0.05 -0.12 0.28 -3.45 0.00 0.00 179.45 176.18 1xmh h VAL 64 N -0.08 0.72 -0.25 2.00 2.07 -1.19 -0.94 116.25 118.58 1xmh h VAL 64 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1xmh h VAL 64 Cb 0.28 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1xmh h VAL 64 CO -0.30 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.27 1xmh h ALA 65 N 0.72 0.21 -0.06 1.67 0.00 -0.25 0.34 119.26 121.89 1xmh h ALA 65 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xmh h ALA 65 Cb 0.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xmh h ALA 65 CO -0.09 -0.43 -0.02 0.28 0.00 0.00 0.00 179.25 178.98 1xmh h VAL 66 N 0.06 0.92 -0.60 0.00 2.07 -0.99 -1.83 116.25 115.87 1xmh h VAL 66 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1xmh h VAL 66 Cb 0.16 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1xmh h VAL 66 CO -0.22 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.64 1xmh h LEU 67 N -0.02 0.52 -1.83 2.57 3.38 -0.81 -1.59 115.31 117.53 1xmh h LEU 67 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xmh h LEU 67 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xmh h LEU 67 CO -0.07 0.35 -0.14 0.50 0.09 0.00 0.00 178.44 179.17 1xmh h LYS 68 N 0.65 0.00 0.00 1.13 3.64 -0.67 -1.52 116.57 119.80 1xmh h LYS 68 Ca 0.26 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1xmh h LYS 68 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xmh h LYS 68 CO -0.14 0.14 -0.39 0.00 -2.27 0.00 0.00 179.45 176.79 1xmh h ALA 69 N 1.86 0.98 0.00 5.00 0.00 -0.43 -1.09 119.26 125.58 1xmh h ALA 69 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xmh h ALA 69 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xmh h ALA 69 CO 0.02 0.49 -1.31 0.54 0.00 0.00 0.00 179.25 178.98 1xmh n ARG 70 N -3.53 0.27 -0.11 0.00 1.74 -0.85 -4.51 116.66 109.67 1xmh n ARG 70 Ca -0.00 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.80 1xmh n ARG 70 Cb 0.52 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 1xmh n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xmh n ALA 71 N -1.81 1.24 -1.99 7.54 0.00 -0.63 -4.98 120.51 119.88 1xmh n ALA 71 Ca 0.01 -0.98 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 1xmh n ALA 71 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1xmh n ALA 71 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xmh s PHE 72 N -2.51 3.53 0.54 0.00 0.40 -0.42 -5.08 117.98 114.43 1xmh s PHE 72 Ca -0.34 1.22 0.02 0.00 -0.60 0.00 0.00 56.93 57.23 1xmh s PHE 72 Cb 0.10 -2.62 0.03 0.00 0.51 0.00 0.00 43.02 41.04 1xmh s PHE 72 CO 0.60 -0.39 0.75 0.54 0.70 0.00 0.00 175.22 177.42 1xmh s ASN 73 N -3.58 5.33 0.18 1.36 2.20 -1.26 -4.84 114.94 114.34 1xmh s ASN 73 Ca 0.54 -0.02 -0.13 0.00 -0.94 0.00 0.00 52.86 52.31 1xmh s ASN 73 Cb -0.10 -0.90 0.18 0.00 -2.00 0.00 0.00 41.25 38.43 1xmh s ASN 73 CO 0.40 -1.09 1.73 -0.33 -2.94 0.00 0.00 177.10 174.87 1xmh h GLU 74 N 0.13 0.27 -0.66 3.55 5.08 -1.98 0.13 114.58 121.10 1xmh h GLU 74 Ca -0.42 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xmh h GLU 74 Cb 1.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1xmh h GLU 74 CO 0.52 0.18 0.40 0.28 -1.00 0.00 0.00 179.01 179.39 1xmh h VAL 75 N 0.28 1.19 -0.12 3.13 2.07 -2.00 -3.08 116.25 117.71 1xmh h VAL 75 Ca 0.24 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 1xmh h VAL 75 Cb 0.30 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1xmh h VAL 75 CO -0.29 0.19 -0.78 0.44 0.02 0.00 0.00 177.57 177.16 1xmh h ASP 76 N 0.89 0.80 0.00 0.57 3.32 -1.85 -2.38 116.42 117.77 1xmh h ASP 76 Ca 0.24 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xmh h ASP 76 Cb -0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1xmh h ASP 76 CO -0.04 1.31 0.13 0.15 -1.72 0.00 0.00 179.24 179.06 1xmh h PHE 77 N 0.45 0.00 0.00 4.55 3.04 -0.90 0.89 116.94 124.97 1xmh h PHE 77 Ca -0.05 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.70 1xmh h PHE 77 Cb 1.39 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.86 1xmh h PHE 77 CO 0.07 0.00 -2.16 0.54 -2.02 0.00 0.00 178.31 174.74 1xmh n ARG 78 N -3.00 0.75 -0.00 1.11 1.74 -1.15 -4.68 116.66 111.43 1xmh n ARG 78 Ca -0.03 -0.09 0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1xmh n ARG 78 Cb 0.19 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1xmh n ARG 78 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xmh n HIS 79 N -2.50 0.00 -4.12 -1.55 8.25 -0.50 -4.80 115.22 110.00 1xmh n HIS 79 Ca -0.19 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.98 1xmh n HIS 79 Cb 0.87 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.90 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 -1.53 2.69 0.68 -0.41 1.02 0.30 -0.73 119.74 121.75 1xmh s LYS 80 Ca 0.00 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.05 1xmh s LYS 80 Cb 0.02 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1xmh s LYS 80 CO 0.09 0.51 0.99 0.95 -0.92 0.00 0.00 175.35 176.97 1xmh s THR 81 N -1.56 2.68 0.64 2.17 -4.23 -0.42 -4.42 115.64 110.51 1xmh s THR 81 Ca 0.28 -0.16 0.39 0.00 -1.18 0.00 0.00 61.69 61.02 1xmh s THR 81 Cb -0.11 -3.14 0.41 0.00 1.34 0.00 0.00 72.50 71.00 1xmh s THR 81 CO 0.21 -0.15 2.33 0.00 -0.54 0.00 0.00 174.62 176.46 1xmh h ALA 82 N -0.50 1.22 0.00 3.99 0.00 -1.02 -1.42 119.26 121.54 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 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xmh h ALA 82 CO 0.61 -0.00 -0.80 0.74 0.00 0.00 0.00 179.25 179.79 1xmh h PHE 83 N 0.00 0.00 0.00 0.00 -1.00 -1.92 -3.45 116.94 110.57 1xmh h PHE 83 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xmh h PHE 83 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1xmh h PHE 83 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1xmh n GLY 84 N 1.29 1.24 3.63 -1.45 0.00 -0.53 -5.11 105.19 104.25 1xmh n GLY 84 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.17 0.51 -0.55 1.61 2.02 -1.26 -4.67 118.70 116.19 1xmh s GLU 85 Ca 0.00 1.15 -0.18 0.00 0.02 0.00 0.00 54.97 55.97 1xmh s GLU 85 Cb 0.00 -1.70 0.10 0.00 0.10 0.00 0.00 34.13 32.63 1xmh s GLU 85 CO 0.00 -2.85 0.59 0.34 0.02 0.00 0.00 175.26 173.35 1xmh s ASP 86 N -2.81 6.19 0.11 -0.19 -1.08 -1.26 -1.30 116.67 116.33 1xmh s ASP 86 Ca 0.66 -1.44 -0.20 0.00 -0.52 0.00 0.00 52.55 51.05 1xmh s ASP 86 Cb -0.22 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1xmh s ASP 86 CO 0.60 -0.94 1.03 0.00 0.52 0.00 0.00 175.17 176.38 1xmh n ALA 87 N 5.82 -0.39 0.05 3.66 0.00 0.09 0.48 120.51 130.22 1xmh n ALA 87 Ca -0.11 0.58 0.15 0.00 0.00 0.00 0.00 53.44 54.06 1xmh n ALA 87 Cb 0.42 -0.12 0.63 0.00 0.00 0.00 0.00 19.45 20.38 1xmh n ALA 87 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xmh h LYS 88 N 0.00 0.11 0.29 0.00 3.64 -1.94 -0.57 116.57 118.10 1xmh h LYS 88 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1xmh h LYS 88 Cb 0.29 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1xmh h LYS 88 CO -0.63 0.07 -0.14 0.77 -2.27 0.00 0.00 179.45 177.25 1xmh h SER 89 N 0.11 -0.33 -0.11 4.20 0.02 -0.34 -1.80 113.55 115.30 1xmh h SER 89 Ca 0.19 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1xmh h SER 89 Cb 0.61 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1xmh h SER 89 CO -0.02 -0.02 -0.19 0.58 -1.14 0.00 0.00 176.83 176.04 1xmh h VAL 90 N -0.66 0.52 -0.01 2.27 2.07 -0.94 0.44 116.25 119.94 1xmh h VAL 90 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1xmh h VAL 90 Cb 0.46 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1xmh h VAL 90 CO 0.07 0.00 -0.32 0.25 0.02 0.00 0.00 177.57 177.58 1xmh h LEU 91 N -0.25 -1.00 -1.30 2.57 5.85 -1.13 0.28 115.31 120.32 1xmh h LEU 91 Ca 0.09 0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.11 1xmh h LEU 91 Cb 0.39 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1xmh h LEU 91 CO -0.25 -0.31 0.60 0.44 -0.34 0.00 0.00 178.44 178.57 1xmh h ASP 92 N -0.40 0.59 -0.11 1.25 3.45 -1.15 -0.71 116.42 119.34 1xmh h ASP 92 Ca 0.01 0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 1xmh h ASP 92 Cb 0.43 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1xmh h ASP 92 CO -0.22 0.24 -0.34 1.23 -1.57 0.00 0.00 179.24 178.58 1xmh h GLY 93 N 0.59 0.46 1.29 2.75 0.00 -0.13 -2.50 103.07 105.53 1xmh h GLY 93 Ca 0.50 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1xmh h GLY 93 CO -0.25 0.53 0.28 -0.84 0.00 0.00 0.00 176.54 176.27 1xmh h THR 94 N -0.02 1.22 -0.09 4.70 2.02 0.35 -1.16 112.91 119.93 1xmh h THR 94 Ca -0.01 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1xmh h THR 94 Cb 0.96 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1xmh h THR 94 CO 0.07 0.26 -0.02 0.58 0.37 0.00 0.00 175.52 176.79 1xmh h VAL 95 N 0.91 1.29 -0.55 3.16 2.07 -1.19 0.39 116.25 122.32 1xmh h VAL 95 Ca 0.22 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1xmh h VAL 95 Cb 0.14 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1xmh h VAL 95 CO -0.02 0.26 0.26 0.00 0.02 0.00 0.00 177.57 178.08 1xmh h ALA 96 N 0.69 0.71 -0.50 1.67 0.00 -1.24 0.23 119.26 120.81 1xmh h ALA 96 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xmh h ALA 96 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xmh h ALA 96 CO 0.01 -0.11 0.32 -0.22 0.00 0.00 0.00 179.25 179.24 1xmh h LYS 97 N 0.48 0.62 -0.51 0.00 3.64 -1.09 -1.36 116.57 118.36 1xmh h LYS 97 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1xmh h LYS 97 Cb 0.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1xmh h LYS 97 CO -0.21 0.41 0.22 1.98 -2.27 0.00 0.00 179.45 179.58 1xmh h MET 98 N 0.64 0.75 0.00 1.90 4.05 0.15 -1.68 114.93 120.74 1xmh h MET 98 Ca 0.19 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1xmh h MET 98 Cb -0.03 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1xmh h MET 98 CO -0.07 0.65 0.00 0.09 0.23 0.00 0.00 176.91 177.82 1xmh n ASN 99 N -4.56 0.59 0.04 1.39 3.02 0.70 -2.02 115.26 114.42 1xmh n ASN 99 Ca 0.02 0.66 -0.01 0.00 -0.03 0.00 0.00 54.58 55.22 1xmh n ASN 99 Cb 0.14 -0.78 -0.08 0.00 -0.61 0.00 0.00 39.78 38.46 1xmh n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xmh h ALA 100 N 2.27 0.66 -0.98 5.41 0.00 -0.37 -3.48 119.26 122.77 1xmh h ALA 100 Ca 0.00 -0.87 -0.73 0.00 0.00 0.00 0.00 54.91 53.30 1xmh h ALA 100 Cb 0.33 0.25 0.07 0.00 0.00 0.00 0.00 17.79 18.43 1xmh h ALA 100 CO 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 179.25 180.09 1xmh n ALA 101 N -2.39 -3.35 0.18 0.00 0.00 -0.81 -4.85 120.51 109.29 1xmh n ALA 101 Ca -0.09 0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.99 1xmh n ALA 101 Cb 0.85 -1.67 0.11 0.00 0.00 0.00 0.00 19.45 18.74 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 2.31 0.00 0.00 0.00 1.79 -1.92 -3.48 116.57 115.26 1xmh h LYS 102 Ca -0.43 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.93 1xmh h LYS 102 Cb 1.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1xmh h LYS 102 CO 0.61 0.10 0.12 -0.40 -1.08 0.00 0.00 179.45 178.81 1xmh n ASP 103 N -3.05 -1.95 0.02 0.86 5.68 -1.26 -5.05 116.55 111.81 1xmh n ASP 103 Ca 0.02 -2.68 -0.03 0.00 -0.50 0.00 0.00 54.79 51.60 1xmh n ASP 103 Cb 0.58 3.34 0.21 0.00 -1.14 0.00 0.00 41.12 44.12 1xmh n ASP 103 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1xmh h LYS 104 N 0.00 0.46 -0.71 0.11 2.10 -1.93 -1.65 116.57 114.95 1xmh h LYS 104 Ca -0.31 -0.17 -0.04 0.00 -2.00 0.00 0.00 60.65 58.13 1xmh h LYS 104 Cb 1.21 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.48 1xmh h LYS 104 CO 0.40 0.67 0.27 -1.49 -2.00 0.00 0.00 179.45 177.31 1xmh h TRP 105 N 0.40 1.06 -0.04 0.07 4.06 -1.96 0.19 115.95 119.74 1xmh h TRP 105 Ca 0.06 -0.07 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 1xmh h TRP 105 Cb 0.65 -0.32 0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1xmh h TRP 105 CO 0.02 0.81 -0.35 1.49 -3.56 0.00 0.00 178.44 176.85 1xmh h GLU 106 N 1.02 0.30 -0.68 0.49 4.81 -1.94 -3.13 114.58 115.46 1xmh h GLU 106 Ca 0.24 -0.28 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1xmh h GLU 106 Cb 0.21 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1xmh h GLU 106 CO -0.02 0.95 0.35 0.00 -0.73 0.00 0.00 179.01 179.56 1xmh h ALA 107 N 0.36 0.92 -0.63 2.92 0.00 -1.07 -1.69 119.26 120.06 1xmh h ALA 107 Ca -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xmh h ALA 107 Cb 1.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xmh h ALA 107 CO 0.07 -0.02 0.21 1.05 0.00 0.00 0.00 179.25 180.56 1xmh h GLU 108 N 0.62 0.96 -0.85 0.00 4.11 -1.04 -1.48 114.58 116.90 1xmh h GLU 108 Ca 0.32 -0.18 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 1xmh h GLU 108 Cb 0.29 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1xmh h GLU 108 CO -0.23 0.81 0.42 0.87 0.07 0.00 0.00 179.01 180.95 1xmh h LYS 109 N 0.93 1.21 0.04 1.06 1.57 -1.28 -1.72 116.57 118.38 1xmh h LYS 109 Ca 0.21 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1xmh h LYS 109 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xmh h LYS 109 CO -0.01 0.92 -0.02 0.82 -0.57 0.00 0.00 179.45 180.59 1xmh h ILE 110 N 1.20 1.14 0.57 1.86 2.04 -0.80 -1.23 117.51 122.29 1xmh h ILE 110 Ca 0.29 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1xmh h ILE 110 Cb 0.10 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1xmh h ILE 110 CO -0.04 0.15 -0.36 -0.74 0.00 0.00 0.00 178.15 177.16 1xmh h HIS 111 N -0.31 -0.96 -0.92 1.37 2.76 -1.18 0.65 115.15 116.55 1xmh h HIS 111 Ca -0.01 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1xmh h HIS 111 Cb 0.29 0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.53 1xmh h HIS 111 CO 0.01 -0.55 0.59 0.82 -1.30 0.00 0.00 177.93 177.50 1xmh h ILE 112 N -0.89 1.11 -0.44 6.26 2.04 -1.38 -1.13 117.51 123.08 1xmh h ILE 112 Ca -0.07 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1xmh h ILE 112 Cb 0.73 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1xmh h ILE 112 CO 0.06 0.20 0.13 1.23 0.00 0.00 0.00 178.15 179.77 1xmh h GLY 113 N 1.10 0.74 0.48 5.37 0.00 -1.05 -1.74 103.07 107.97 1xmh h GLY 113 Ca 0.38 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1xmh h GLY 113 CO -0.15 0.41 -0.13 -2.75 0.00 0.00 0.00 176.54 173.93 1xmh h PHE 114 N 0.57 -0.31 -0.42 5.60 3.57 -0.07 -2.08 116.94 123.80 1xmh h PHE 114 Ca 0.14 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1xmh h PHE 114 Cb 0.28 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1xmh h PHE 114 CO 0.01 -0.19 0.16 0.00 -2.23 0.00 0.00 178.31 176.07 1xmh h ARG 115 N -0.14 0.32 -0.24 1.11 3.08 -1.01 0.67 114.38 118.18 1xmh h ARG 115 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xmh h ARG 115 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1xmh h ARG 115 CO -0.24 0.21 0.13 1.96 -1.07 0.00 0.00 179.97 180.97 1xmh h GLN 116 N 0.33 0.32 0.07 0.04 4.20 -0.90 -2.33 115.11 116.85 1xmh h GLN 116 Ca 0.19 -0.02 -0.37 0.00 0.06 0.00 0.00 58.65 58.51 1xmh h GLN 116 Cb 0.17 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1xmh h GLN 116 CO -0.19 0.23 -2.19 0.00 -0.67 0.00 0.00 178.83 176.01 1xmh n ALA 117 N -2.50 1.15 -0.01 3.87 0.00 -0.82 -4.64 120.51 117.56 1xmh n ALA 117 Ca 0.01 -0.83 0.08 0.00 0.00 0.00 0.00 53.44 52.70 1xmh n ALA 117 Cb 0.09 -0.44 0.18 0.00 0.00 0.00 0.00 19.45 19.29 1xmh n ALA 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xmh n TYR 118 N -3.35 0.50 -1.71 0.00 4.02 0.19 -4.83 117.16 111.98 1xmh n TYR 118 Ca -0.37 -0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 56.73 1xmh n TYR 118 Cb 1.03 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 40.31 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 0.97 2.64 -1.10 -0.72 4.81 -0.88 -2.02 118.16 121.86 1xmh n LYS 119 Ca 0.15 0.95 -0.35 0.00 -0.87 0.00 0.00 58.31 58.19 1xmh n LYS 119 Cb 0.48 -2.76 0.09 0.00 0.02 0.00 0.00 35.03 32.85 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 3.45 0.09 0.00 1.64 -0.02 -1.25 -1.89 135.00 137.02 1xmh n PRO 120 Ca 0.15 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1xmh n PRO 120 Cb 0.34 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.95 0.85 0.00 0.52 -0.04 -1.26 -4.90 135.00 129.22 1xmh n PRO 121 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1xmh n PRO 121 Cb 0.51 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1xmh n PRO 121 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xmh n ILE 122 N 0.33 0.00 -3.42 0.52 2.08 -0.79 -4.45 119.36 113.63 1xmh n ILE 122 Ca 0.00 0.53 -0.33 0.00 0.56 0.00 0.00 62.75 63.51 1xmh n ILE 122 Cb 0.32 -1.51 -0.05 0.00 -0.75 0.00 0.00 39.64 37.64 1xmh n ILE 122 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1xmh s MET 123 N -1.06 3.84 0.47 0.38 1.75 -0.86 -0.51 119.30 123.31 1xmh s MET 123 Ca 0.00 0.32 -0.25 0.00 -1.25 0.00 0.00 55.69 54.51 1xmh s MET 123 Cb 0.00 -2.76 -0.08 0.00 2.84 0.00 0.00 34.83 34.83 1xmh s MET 123 CO 0.00 0.39 1.39 -2.30 -0.65 0.00 0.00 175.02 173.85 1xmh n PRO 124 N 0.21 2.09 -0.32 4.11 -0.02 -1.26 -3.91 135.00 135.90 1xmh n PRO 124 Ca -0.02 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xmh n PRO 124 Cb 0.52 -2.58 0.14 0.00 -0.02 0.00 0.00 33.50 31.56 1xmh n PRO 124 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xmh h VAL 125 N 2.08 1.07 -0.53 -1.45 -1.51 -1.94 -1.43 116.25 112.54 1xmh h VAL 125 Ca -0.50 -0.35 0.08 0.00 -1.23 0.00 0.00 66.70 64.70 1xmh h VAL 125 Cb 1.28 -0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 30.33 1xmh h VAL 125 CO 0.60 0.19 0.17 0.78 -1.23 0.00 0.00 177.57 178.08 1xmh h ASN 126 N 1.03 0.15 -0.13 4.19 2.35 -1.94 -0.10 115.58 121.12 1xmh h ASN 126 Ca 0.37 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 56.05 1xmh h ASN 126 Cb 0.13 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xmh h ASN 126 CO -0.16 0.10 -0.50 1.88 -1.65 0.00 0.00 177.43 177.11 1xmh h TYR 127 N 0.34 0.76 -0.16 1.19 -1.99 -1.86 -2.69 116.97 112.56 1xmh h TYR 127 Ca 0.26 -0.32 0.04 0.00 2.00 0.00 0.00 58.73 60.72 1xmh h TYR 127 Cb 0.31 -0.12 -0.05 0.00 2.00 0.00 0.00 36.73 38.88 1xmh h TYR 127 CO -0.18 1.09 -0.12 0.35 -0.00 0.00 0.00 178.16 179.30 1xmh h PHE 128 N 0.21 -0.30 0.00 4.88 3.57 -0.80 0.18 116.94 124.68 1xmh h PHE 128 Ca -0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1xmh h PHE 128 Cb 1.13 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1xmh h PHE 128 CO 0.10 -0.18 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.61 1xmh h LEU 129 N -0.13 0.00 -1.17 0.59 3.38 -1.12 -0.56 115.31 116.30 1xmh h LEU 129 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1xmh h LEU 129 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xmh h LEU 129 CO -0.24 0.32 -0.39 -0.78 0.09 0.00 0.00 178.44 177.44 1xmh h ASP 130 N 0.00 0.04 -0.01 -0.43 3.58 -0.98 -1.39 116.42 117.23 1xmh h ASP 130 Ca -0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1xmh h ASP 130 Cb 0.74 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1xmh h ASP 130 CO 0.04 0.43 -0.03 1.23 -2.88 0.00 0.00 179.24 178.04 1xmh h GLY 131 N 1.19 0.04 -0.17 -0.78 0.00 0.38 -2.88 103.07 100.85 1xmh h GLY 131 Ca 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 47.33 47.47 1xmh h GLY 131 CO 0.05 0.05 0.25 0.83 0.00 0.00 0.00 176.54 177.72 1xmh h GLU 132 N -0.54 0.30 -0.35 4.80 4.39 -0.83 0.36 114.58 122.71 1xmh h GLU 132 Ca -0.00 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1xmh h GLU 132 Cb 0.62 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1xmh h GLU 132 CO 0.01 0.20 0.09 -0.09 -1.16 0.00 0.00 179.01 178.05 1xmh h ARG 133 N 0.31 0.21 0.13 2.33 2.43 -1.21 -0.25 114.38 118.34 1xmh h ARG 133 Ca 0.48 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.42 1xmh h ARG 133 Cb 0.87 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1xmh h ARG 133 CO -0.54 0.14 -1.01 1.96 -1.51 0.00 0.00 179.97 179.01 1xmh h GLN 134 N 0.22 0.27 0.14 0.20 4.20 -1.00 -3.17 115.11 115.98 1xmh h GLN 134 Ca 0.16 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1xmh h GLN 134 Cb 0.17 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1xmh h GLN 134 CO -0.20 1.22 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.05 1xmh h LEU 135 N -0.37 -0.16 -1.33 1.46 3.38 -0.38 -2.76 115.31 115.16 1xmh h LEU 135 Ca -0.20 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1xmh h LEU 135 Cb 1.67 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.41 1xmh h LEU 135 CO 0.11 0.02 0.50 1.23 0.09 0.00 0.00 178.44 180.40 1xmh h GLY 136 N -0.34 1.03 1.00 0.83 0.00 -1.20 -0.61 103.07 103.78 1xmh h GLY 136 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xmh h GLY 136 CO 0.03 0.24 0.36 -0.84 0.00 0.00 0.00 176.54 176.33 1xmh h THR 137 N 0.81 1.16 0.01 4.70 2.02 -1.49 -1.89 112.91 118.23 1xmh h THR 137 Ca 0.33 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xmh h THR 137 Cb 0.25 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1xmh h THR 137 CO -0.11 0.16 -0.00 -0.09 0.37 0.00 0.00 175.52 175.85 1xmh h ARG 138 N 0.77 -0.01 -0.56 6.66 9.65 -1.05 -2.47 114.38 127.37 1xmh h ARG 138 Ca 0.21 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 59.20 1xmh h ARG 138 Cb -0.04 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.43 1xmh h ARG 138 CO -0.04 0.43 -0.13 1.25 2.80 0.00 0.00 179.97 184.27 1xmh h LEU 139 N -0.45 -0.50 -0.09 3.80 5.85 -1.03 -1.88 115.31 121.01 1xmh h LEU 139 Ca -0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1xmh h LEU 139 Cb 0.44 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xmh h LEU 139 CO 0.00 -0.18 0.04 0.24 -0.34 0.00 0.00 178.44 178.21 1xmh h MET 140 N 0.01 0.13 -0.98 1.25 2.86 -1.36 -0.83 114.93 116.01 1xmh h MET 140 Ca 0.27 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 58.09 1xmh h MET 140 Cb 0.41 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.94 1xmh h MET 140 CO -0.57 0.20 0.57 0.93 1.06 0.00 0.00 176.91 179.10 1xmh h GLU 141 N 0.03 0.68 0.10 1.72 5.08 -0.89 0.25 114.58 121.55 1xmh h GLU 141 Ca 0.03 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1xmh h GLU 141 Cb 0.11 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xmh h GLU 141 CO -0.00 0.45 -1.22 -0.07 -1.00 0.00 0.00 179.01 177.17 1xmh h LEU 142 N 0.70 0.88 -0.19 1.33 3.38 -1.14 -3.31 115.31 116.97 1xmh h LEU 142 Ca 0.57 -0.80 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1xmh h LEU 142 Cb 0.92 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xmh h LEU 142 CO -0.40 1.60 -0.28 0.03 0.09 0.00 0.00 178.44 179.47 1xmh h ARG 143 N 0.30 0.53 0.00 1.13 3.08 -0.25 -3.28 114.38 115.89 1xmh h ARG 143 Ca -0.18 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1xmh h ARG 143 Cb 1.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1xmh h ARG 143 CO 0.23 0.91 0.00 0.09 -1.07 0.00 0.00 179.97 180.14 1xmh n ASN 144 N -4.36 0.00 -4.65 7.04 3.02 0.80 -4.49 115.26 112.62 1xmh n ASN 144 Ca -0.06 -1.69 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 1xmh n ASN 144 Cb 0.46 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.27 4.11 -1.34 3.41 2.96 -1.24 -3.93 118.68 121.38 1xmh s LEU 145 Ca 0.13 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1xmh s LEU 145 Cb 0.06 -2.97 -0.00 0.00 0.50 0.00 0.00 46.19 43.78 1xmh s LEU 145 CO 0.10 -0.36 0.57 0.59 -1.32 0.00 0.00 176.35 175.92 1xmh n ASN 146 N 5.46 -0.93 -0.26 3.68 3.02 -1.26 -4.85 115.26 120.12 1xmh n ASN 146 Ca 0.01 -0.92 0.15 0.00 -0.03 0.00 0.00 54.58 53.79 1xmh n ASN 146 Cb 0.49 -3.57 0.43 0.00 -0.61 0.00 0.00 39.78 36.52 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 -1.85 0.72 -0.18 3.10 3.20 -1.79 -2.54 116.97 117.64 1xmh h TYR 147 Ca -0.62 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xmh h TYR 147 Cb 1.37 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1xmh h TYR 147 CO 0.47 0.23 0.00 0.66 -1.64 0.00 0.00 178.16 177.88 1xmh n TYR 148 N -4.56 0.21 0.18 -3.82 4.02 -1.26 -4.61 117.16 107.32 1xmh n TYR 148 Ca 0.18 -0.11 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 1xmh n TYR 148 Cb 0.56 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.79 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 4.36 -1.29 -2.73 7.72 5.19 -1.82 -3.41 116.42 124.44 1xmh h ASP 149 Ca 0.00 0.13 -0.56 0.00 -0.62 0.00 0.00 57.03 55.98 1xmh h ASP 149 Cb 0.95 0.46 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1xmh h ASP 149 CO 0.00 -0.55 1.10 -0.89 -3.12 0.00 0.00 179.24 175.78 1xmh s THR 150 N -5.90 3.71 0.58 0.35 2.01 -1.26 -4.99 115.64 110.14 1xmh s THR 150 Ca -0.17 0.82 -0.20 0.00 0.31 0.00 0.00 61.69 62.46 1xmh s THR 150 Cb 0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1xmh s THR 150 CO 0.62 -0.21 1.30 -2.16 -0.69 0.00 0.00 174.62 173.48 1xmh s PRO 151 N 4.40 2.97 0.30 4.92 0.04 -1.26 -4.63 135.00 141.74 1xmh s PRO 151 Ca 0.71 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.88 1xmh s PRO 151 Cb -0.27 -2.08 0.79 0.00 0.04 0.00 0.00 34.50 32.97 1xmh s PRO 151 CO 0.28 -1.27 1.69 -0.07 0.04 0.00 0.00 177.00 177.67 1xmh h LEU 152 N 1.12 0.38 -0.32 -3.56 3.38 -1.94 -0.17 115.31 114.20 1xmh h LEU 152 Ca -0.51 0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.69 1xmh h LEU 152 Cb 1.31 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1xmh h LEU 152 CO 0.56 -0.01 -0.24 -0.33 0.09 0.00 0.00 178.44 178.51 1xmh h GLU 153 N 0.41 -0.20 -0.16 1.13 3.07 -2.00 0.20 114.58 117.03 1xmh h GLU 153 Ca 0.59 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.40 1xmh h GLU 153 Cb 1.15 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1xmh h GLU 153 CO -0.54 -0.14 -0.15 1.49 -1.40 0.00 0.00 179.01 178.28 1xmh h GLU 154 N -0.21 0.38 -0.96 2.33 4.57 -1.55 -3.12 114.58 116.02 1xmh h GLU 154 Ca 0.16 -0.20 0.17 0.00 -1.18 0.00 0.00 59.36 58.31 1xmh h GLU 154 Cb 0.46 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.96 1xmh h GLU 154 CO -0.44 0.75 0.57 1.25 -1.18 0.00 0.00 179.01 179.95 1xmh h LEU 155 N 0.02 0.74 -0.92 1.64 5.85 -0.64 0.23 115.31 122.23 1xmh h LEU 155 Ca 0.03 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xmh h LEU 155 Cb 0.67 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1xmh h LEU 155 CO 0.04 0.30 0.53 0.03 -0.34 0.00 0.00 178.44 179.00 1xmh h ARG 156 N 0.77 1.26 0.45 1.25 3.08 -0.94 0.13 114.38 120.39 1xmh h ARG 156 Ca 0.53 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1xmh h ARG 156 Cb 0.76 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1xmh h ARG 156 CO -0.36 0.90 -0.22 0.87 -1.07 0.00 0.00 179.97 180.10 1xmh h LYS 157 N 1.28 -0.58 -0.35 0.04 1.57 -0.57 0.17 116.57 118.12 1xmh h LYS 157 Ca 0.33 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 1xmh h LYS 157 Cb -0.02 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1xmh h LYS 157 CO -0.06 -0.36 -0.03 1.96 -0.57 0.00 0.00 179.45 180.39 1xmh h GLN 158 N -0.65 0.06 -0.13 3.15 4.20 -0.74 0.14 115.11 121.14 1xmh h GLN 158 Ca -0.06 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1xmh h GLN 158 Cb 0.49 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1xmh h GLN 158 CO 0.10 0.04 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.14 1xmh h ARG 159 N 0.06 0.20 -0.40 1.46 9.65 -0.88 -3.47 114.38 121.00 1xmh h ARG 159 Ca 0.17 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1xmh h ARG 159 Cb 0.25 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1xmh h ARG 159 CO -0.32 0.29 -0.02 0.41 2.80 0.00 0.00 179.97 183.13 1xmh n GLY 160 N -1.06 0.51 3.84 2.80 0.00 0.57 -5.04 105.19 106.80 1xmh n GLY 160 Ca -0.01 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.32 4.45 -0.55 1.61 -7.23 -1.00 -5.00 120.40 110.37 1xmh s VAL 161 Ca 0.01 1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 61.10 1xmh s VAL 161 Cb -0.00 -3.69 0.09 0.00 0.56 0.00 0.00 36.38 33.34 1xmh s VAL 161 CO 0.01 -0.74 0.61 -0.60 -0.31 0.00 0.00 175.10 174.07 1xmh s ARG 162 N -4.27 3.04 0.04 4.82 3.52 -1.26 -4.87 118.95 119.98 1xmh s ARG 162 Ca 0.59 -1.30 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1xmh s ARG 162 Cb -0.11 -4.22 -0.08 0.00 -1.56 0.00 0.00 34.95 28.98 1xmh s ARG 162 CO 0.36 -1.37 1.70 0.08 -0.81 0.00 0.00 175.30 175.26 1xmh s VAL 163 N 2.36 3.12 -0.22 7.11 1.01 -1.26 -4.90 120.40 127.62 1xmh s VAL 163 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1xmh s VAL 163 Cb -0.24 -3.29 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 1xmh s VAL 163 CO 0.07 -0.01 -0.07 0.52 0.00 0.00 0.00 175.10 175.61 1xmh n VAL 164 N 4.98 1.56 -3.64 2.92 0.31 -1.26 -5.02 118.33 118.18 1xmh n VAL 164 Ca 0.17 -0.60 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 1xmh n VAL 164 Cb 0.41 -1.47 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 1xmh n VAL 164 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1xmh s HIS 165 N -2.53 -0.79 -0.05 3.52 2.46 -1.26 -5.15 115.29 111.50 1xmh s HIS 165 Ca -0.31 1.76 0.04 0.00 0.47 0.00 0.00 55.06 57.02 1xmh s HIS 165 Cb 0.08 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 1xmh s HIS 165 CO 0.65 -0.38 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.87 1xmh s LEU 166 N 0.81 1.85 -0.09 8.88 1.43 -1.26 -5.12 118.68 125.17 1xmh s LEU 166 Ca -0.03 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1xmh s LEU 166 Cb -0.05 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.33 1xmh s LEU 166 CO -0.08 0.12 0.17 -1.58 0.23 0.00 0.00 176.35 175.21 1xmh s GLN 167 N 0.18 0.05 -0.26 1.70 0.74 -1.26 -5.13 119.66 115.68 1xmh s GLN 167 Ca -0.06 0.58 -0.04 0.00 0.05 0.00 0.00 55.36 55.89 1xmh s GLN 167 Cb -0.12 -0.27 0.14 0.00 1.10 0.00 0.00 33.01 33.86 1xmh s GLN 167 CO 0.02 -0.31 0.47 0.45 -0.55 0.00 0.00 175.29 175.37 1xmh s SER 168 N 2.31 -0.43 0.00 6.67 0.15 -1.26 -5.34 113.70 115.80 1xmh s SER 168 Ca 0.03 0.67 0.22 0.00 0.70 0.00 0.00 55.95 57.57 1xmh s SER 168 Cb -0.12 1.56 1.32 0.00 -1.71 0.00 0.00 66.02 67.06 1xmh s SER 168 CO -0.06 -0.27 1.69 -0.81 1.20 0.00 0.00 173.24 174.99