#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9w s LEU 2 N 0.00 4.32 0.77 7.52 1.02 -1.26 -5.09 118.68 125.96 1a9w s LEU 2 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 54.13 54.86 1a9w s LEU 2 Cb 0.00 -2.63 0.06 0.00 0.02 0.00 0.00 46.19 43.64 1a9w s LEU 2 CO 0.00 0.10 1.14 -0.94 0.02 0.00 0.00 176.35 176.66 1a9w s SER 3 N 0.16 4.81 0.41 2.29 1.04 -1.26 -4.89 113.70 116.26 1a9w s SER 3 Ca 0.24 0.85 0.11 0.00 0.48 0.00 0.00 55.95 57.62 1a9w s SER 3 Cb -0.15 -1.45 0.88 0.00 0.10 0.00 0.00 66.02 65.40 1a9w s SER 3 CO 0.10 -1.71 1.97 -0.65 0.98 0.00 0.00 173.24 173.94 1a9w h PRO 4 N -0.89 0.22 -0.68 4.02 0.11 -2.00 -2.39 132.00 130.40 1a9w h PRO 4 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1a9w h PRO 4 Cb 1.31 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1a9w h PRO 4 CO 0.65 0.30 0.11 0.00 -0.21 0.00 0.00 178.00 178.85 1a9w h ALA 5 N 1.72 0.91 -0.34 -0.75 0.00 -2.00 -2.01 119.26 116.80 1a9w h ALA 5 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a9w h ALA 5 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a9w h ALA 5 CO 0.01 0.67 0.16 -0.44 0.00 0.00 0.00 179.25 179.66 1a9w h ASP 6 N 1.05 0.45 -0.85 0.00 3.32 -1.80 -1.38 116.42 117.20 1a9w h ASP 6 Ca 0.21 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1a9w h ASP 6 Cb 0.44 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1a9w h ASP 6 CO 0.01 0.45 0.56 0.11 -1.72 0.00 0.00 179.24 178.66 1a9w h LYS 7 N 0.42 1.08 -0.21 3.56 1.57 -1.21 -0.17 116.57 121.61 1a9w h LYS 7 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1a9w h LYS 7 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1a9w h LYS 7 CO -0.01 0.71 -0.07 1.15 -0.57 0.00 0.00 179.45 180.66 1a9w h THR 8 N 1.11 1.29 -0.43 -0.16 2.02 -1.02 -2.09 112.91 113.64 1a9w h THR 8 Ca 0.33 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1a9w h THR 8 Cb -0.06 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1a9w h THR 8 CO -0.08 0.33 0.25 0.78 0.37 0.00 0.00 175.52 177.17 1a9w h ASN 9 N 0.13 0.52 -0.65 4.18 2.35 -0.85 -0.00 115.58 121.26 1a9w h ASN 9 Ca 0.05 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1a9w h ASN 9 Cb 0.54 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1a9w h ASN 9 CO 0.02 0.43 0.33 0.58 -1.65 0.00 0.00 177.43 177.15 1a9w h VAL 10 N 0.56 1.21 -0.26 2.81 2.07 -1.03 0.10 116.25 121.72 1a9w h VAL 10 Ca 0.15 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1a9w h VAL 10 Cb 0.01 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1a9w h VAL 10 CO -0.03 0.24 -0.15 0.11 0.02 0.00 0.00 177.57 177.76 1a9w h LYS 11 N 0.89 0.56 -0.50 1.57 1.57 -1.16 -1.55 116.57 117.95 1a9w h LYS 11 Ca 0.22 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1a9w h LYS 11 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1a9w h LYS 11 CO -0.03 0.82 0.11 0.00 -0.57 0.00 0.00 179.45 179.78 1a9w h ALA 12 N 0.72 0.66 -0.22 3.86 0.00 -0.88 -2.60 119.26 120.80 1a9w h ALA 12 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1a9w h ALA 12 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a9w h ALA 12 CO 0.04 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1a9w h ALA 13 N 0.98 0.30 0.00 0.00 0.00 -0.79 -3.03 119.26 116.73 1a9w h ALA 13 Ca 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a9w h ALA 13 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a9w h ALA 13 CO 0.00 0.11 -0.13 2.35 0.00 0.00 0.00 179.25 181.59 1a9w h TRP 14 N 0.15 0.00 -0.34 0.00 2.91 -1.28 -2.32 115.95 115.07 1a9w h TRP 14 Ca 0.05 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.97 1a9w h TRP 14 Cb 0.54 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 1a9w h TRP 14 CO 0.06 0.13 -0.18 0.78 -1.03 0.00 0.00 178.44 178.19 1a9w h GLY 15 N 0.81 0.78 2.00 2.65 0.00 -1.35 -2.79 103.07 105.17 1a9w h GLY 15 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 1a9w h GLY 15 CO 0.02 0.65 -0.15 0.50 0.00 0.00 0.00 176.54 177.56 1a9w h LYS 16 N 0.50 0.00 -0.04 4.80 1.57 -1.32 -2.32 116.57 119.76 1a9w h LYS 16 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1a9w h LYS 16 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1a9w h LYS 16 CO 0.05 0.15 -0.01 0.28 -0.57 0.00 0.00 179.45 179.35 1a9w h VAL 17 N 0.00 1.28 0.00 0.50 2.07 -1.31 -3.46 116.25 115.33 1a9w h VAL 17 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1a9w h VAL 17 Cb 0.37 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1a9w h VAL 17 CO 0.02 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1a9w n GLY 18 N -0.15 3.20 0.29 2.17 0.00 -0.88 -2.71 105.19 107.11 1a9w n GLY 18 Ca -0.07 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1a9w n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9w h ALA 19 N -0.49 1.79 0.00 4.61 0.00 -1.89 -2.88 119.26 120.40 1a9w h ALA 19 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a9w h ALA 19 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1a9w h ALA 19 CO 0.00 0.18 0.00 0.72 0.00 0.00 0.00 179.25 180.15 1a9w n HIS 20 N -4.48 0.00 -0.35 0.00 8.25 -1.10 -4.09 115.22 113.45 1a9w n HIS 20 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1a9w n HIS 20 Cb 0.09 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.51 1a9w n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a9w h ALA 21 N 3.39 1.64 -0.20 -1.41 0.00 -1.66 0.09 119.26 121.11 1a9w h ALA 21 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1a9w h ALA 21 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a9w h ALA 21 CO 0.00 -0.08 -0.59 0.78 0.00 0.00 0.00 179.25 179.37 1a9w h GLY 22 N 0.73 0.71 1.65 0.00 0.00 -1.85 -2.06 103.07 102.24 1a9w h GLY 22 Ca 0.58 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1a9w h GLY 22 CO -0.39 0.77 -0.39 1.05 0.00 0.00 0.00 176.54 177.57 1a9w h GLU 23 N 0.49 0.39 -0.06 4.80 -0.00 -1.43 -2.54 114.58 116.23 1a9w h GLU 23 Ca 0.00 -0.19 -0.21 0.00 -0.00 0.00 0.00 59.36 58.96 1a9w h GLU 23 Cb 1.16 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1a9w h GLU 23 CO 0.12 0.73 -0.82 1.88 -0.00 0.00 0.00 179.01 180.92 1a9w h TYR 24 N 0.33 0.68 -0.55 2.06 0.05 -1.02 -2.79 116.97 115.73 1a9w h TYR 24 Ca 0.03 -0.33 -0.09 0.00 0.05 0.00 0.00 58.73 58.39 1a9w h TYR 24 Cb 0.84 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 1a9w h TYR 24 CO 0.02 1.12 -0.03 0.78 -1.05 0.00 0.00 178.16 179.00 1a9w h GLY 25 N 1.10 1.04 0.99 3.88 0.00 -1.28 -1.33 103.07 107.48 1a9w h GLY 25 Ca -0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 1a9w h GLY 25 CO 0.15 0.71 0.18 0.00 0.00 0.00 0.00 176.54 177.57 1a9w h ALA 26 N 1.07 0.74 -0.43 3.60 0.00 -1.44 -2.93 119.26 119.87 1a9w h ALA 26 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1a9w h ALA 26 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a9w h ALA 26 CO 0.03 0.40 -0.13 1.49 0.00 0.00 0.00 179.25 181.05 1a9w h GLU 27 N 0.79 0.84 -0.96 0.00 4.81 -1.30 -2.24 114.58 116.53 1a9w h GLU 27 Ca 0.18 -0.33 0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1a9w h GLU 27 Cb 0.28 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 1a9w h GLU 27 CO -0.01 0.96 0.62 0.00 -0.73 0.00 0.00 179.01 179.86 1a9w h ALA 28 N 0.85 1.47 -0.30 2.92 0.00 -1.20 -0.40 119.26 122.61 1a9w h ALA 28 Ca 0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1a9w h ALA 28 Cb 0.67 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a9w h ALA 28 CO 0.05 0.37 -0.34 -0.07 0.00 0.00 0.00 179.25 179.26 1a9w h LEU 29 N 1.09 0.82 -1.08 0.00 3.38 -1.38 -1.85 115.31 116.29 1a9w h LEU 29 Ca 0.42 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a9w h LEU 29 Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1a9w h LEU 29 CO -0.17 1.14 0.34 -0.33 0.09 0.00 0.00 178.44 179.51 1a9w h GLU 30 N 0.52 0.99 -0.37 1.13 5.08 -0.76 -1.38 114.58 119.79 1a9w h GLU 30 Ca 0.04 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1a9w h GLU 30 Cb 0.92 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1a9w h GLU 30 CO 0.08 0.76 -0.42 0.00 -1.00 0.00 0.00 179.01 178.43 1a9w h ARG 31 N 0.98 0.93 -0.39 2.33 3.08 -1.04 -2.68 114.38 117.60 1a9w h ARG 31 Ca 0.24 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1a9w h ARG 31 Cb 0.09 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1a9w h ARG 31 CO -0.03 1.17 0.13 1.98 -1.07 0.00 0.00 179.97 182.14 1a9w h MET 32 N 0.75 0.60 -0.56 0.04 4.05 -0.89 0.10 114.93 119.02 1a9w h MET 32 Ca 0.05 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1a9w h MET 32 Cb 1.02 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.71 1a9w h MET 32 CO 0.10 0.60 0.23 0.74 0.23 0.00 0.00 176.91 178.82 1a9w h PHE 33 N 0.48 0.81 0.02 1.39 0.04 -1.28 0.11 116.94 118.51 1a9w h PHE 33 Ca 0.13 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1a9w h PHE 33 Cb 0.25 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1a9w h PHE 33 CO 0.01 0.62 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.26 1a9w h LEU 34 N 0.80 -0.03 -0.59 1.54 3.38 -1.26 -3.16 115.31 116.00 1a9w h LEU 34 Ca 0.19 -0.69 -0.15 0.00 0.09 0.00 0.00 57.88 57.32 1a9w h LEU 34 Cb 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1a9w h LEU 34 CO -0.02 0.71 -0.62 0.28 0.09 0.00 0.00 178.44 178.88 1a9w h SER 35 N -0.79 0.35 -2.84 -0.43 0.02 -0.78 -3.38 113.55 105.70 1a9w h SER 35 Ca -0.00 -0.20 -0.60 0.00 -0.84 0.00 0.00 61.79 60.14 1a9w h SER 35 Cb 0.71 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 62.75 1a9w h SER 35 CO 0.01 0.88 -0.81 -0.36 -1.14 0.00 0.00 176.83 175.41 1a9w s PHE 36 N -3.76 1.88 0.61 3.45 0.08 0.36 -5.00 117.98 115.61 1a9w s PHE 36 Ca -0.05 -2.53 0.32 0.00 0.12 0.00 0.00 56.93 54.79 1a9w s PHE 36 Cb 0.12 -1.59 1.85 0.00 -0.57 0.00 0.00 43.02 42.83 1a9w s PHE 36 CO 0.81 -0.75 2.17 -1.00 -0.10 0.00 0.00 175.22 176.36 1a9w h PRO 37 N 5.97 0.00 0.00 0.24 0.13 -1.72 -2.47 132.00 134.15 1a9w h PRO 37 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1a9w h PRO 37 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1a9w h PRO 37 CO 0.47 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.03 1a9w h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -1.20 112.91 112.71 1a9w h THR 38 Ca 0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1a9w h THR 38 Cb 0.30 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1a9w h THR 38 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1a9w n THR 39 N -3.00 0.70 0.28 6.82 -2.24 -0.93 -2.89 114.28 113.02 1a9w n THR 39 Ca -0.01 0.06 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 1a9w n THR 39 Cb 0.19 -0.91 0.72 0.00 -2.10 0.00 0.00 70.33 68.23 1a9w n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1a9w h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.41 -2.89 116.57 113.05 1a9w h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9w h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1a9w h LYS 40 CO 0.00 0.03 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1a9w n THR 41 N -3.15 0.62 0.78 -0.16 -2.24 -1.14 -2.20 114.28 106.79 1a9w n THR 41 Ca 0.00 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 1a9w n THR 41 Cb 0.29 -0.87 0.16 0.00 -2.10 0.00 0.00 70.33 67.81 1a9w n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a9w n TYR 42 N -1.35 0.21 -3.23 4.78 4.02 -1.09 -4.40 117.16 116.09 1a9w n TYR 42 Ca 0.07 0.06 -0.26 0.00 -0.01 0.00 0.00 57.90 57.76 1a9w n TYR 42 Cb 0.15 -0.39 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 1a9w n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1a9w n PHE 43 N -1.77 2.76 0.06 -0.72 3.01 -0.94 -4.89 117.46 114.96 1a9w n PHE 43 Ca 0.04 -3.98 -0.05 0.00 1.01 0.00 0.00 57.45 54.46 1a9w n PHE 43 Cb 0.39 -0.49 0.14 0.00 -0.01 0.00 0.00 39.48 39.50 1a9w n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1a9w h PRO 44 N 3.72 0.35 0.00 -1.08 0.11 -1.77 -2.93 132.00 130.41 1a9w h PRO 44 Ca 0.15 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1a9w h PRO 44 Cb 0.69 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1a9w h PRO 44 CO 0.74 0.78 0.00 -2.39 -0.21 0.00 0.00 178.00 176.91 1a9w n HIS 45 N -3.96 0.00 -3.76 0.65 1.44 -1.26 -4.83 115.22 103.50 1a9w n HIS 45 Ca -0.02 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.34 1a9w n HIS 45 Cb 0.56 -0.11 -0.05 0.00 0.12 0.00 0.00 29.99 30.50 1a9w n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a9w s PHE 46 N -2.22 3.58 -0.61 -1.40 0.40 -1.11 -5.04 117.98 111.58 1a9w s PHE 46 Ca 0.35 0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 57.04 1a9w s PHE 46 Cb 0.18 -1.99 0.08 0.00 0.51 0.00 0.00 43.02 41.81 1a9w s PHE 46 CO 0.35 0.61 0.80 0.34 0.70 0.00 0.00 175.22 178.01 1a9w s ASP 47 N -1.73 6.19 -0.08 1.36 2.15 -1.26 -4.91 116.67 118.39 1a9w s ASP 47 Ca 0.28 -1.18 0.06 0.00 0.43 0.00 0.00 52.55 52.13 1a9w s ASP 47 Cb -0.13 -2.35 0.31 0.00 -0.30 0.00 0.00 42.92 40.46 1a9w s ASP 47 CO 0.16 -1.21 1.02 0.18 -0.17 0.00 0.00 175.17 175.15 1a9w n LEU 48 N 6.84 2.70 -4.73 -1.34 4.77 -1.26 -4.68 117.00 119.30 1a9w n LEU 48 Ca -0.07 -1.37 -0.32 0.00 -0.03 0.00 0.00 56.01 54.23 1a9w n LEU 48 Cb 0.44 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.11 1a9w n LEU 48 CO 0.60 0.40 0.71 -0.94 -1.33 0.00 0.00 177.39 176.83 1a9w s SER 49 N -0.39 4.08 0.00 -1.43 1.04 -1.26 -4.89 113.70 110.85 1a9w s SER 49 Ca 0.21 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1a9w s SER 49 Cb 0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1a9w s SER 49 CO 0.07 -2.32 0.00 0.00 0.98 0.00 0.00 173.24 171.97 1a9w n HIS 50 N -3.47 0.00 -1.97 5.02 1.44 -1.26 -1.59 115.22 113.40 1a9w n HIS 50 Ca 0.11 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.48 1a9w n HIS 50 Cb 0.52 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.67 1a9w n HIS 50 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a9w n GLY 51 N -0.42 5.81 3.62 -1.39 0.00 -1.26 -5.05 105.19 106.50 1a9w n GLY 51 Ca 0.00 -2.54 -0.44 0.00 0.00 0.00 0.00 46.02 43.04 1a9w n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a9w n SER 52 N -0.61 1.64 0.11 1.61 2.88 -0.62 -4.91 113.62 113.72 1a9w n SER 52 Ca 0.51 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 59.18 1a9w n SER 52 Cb 0.50 -1.35 0.07 0.00 -0.75 0.00 0.00 64.21 62.69 1a9w n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a9w h ALA 53 N 2.05 0.75 -0.12 -1.46 0.00 -1.91 -2.69 119.26 115.88 1a9w h ALA 53 Ca -0.42 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 53.78 1a9w h ALA 53 Cb 1.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a9w h ALA 53 CO 0.60 0.92 -0.07 1.96 0.00 0.00 0.00 179.25 182.67 1a9w h GLN 54 N 0.00 0.26 -0.05 0.00 4.20 -1.91 -1.93 115.11 115.69 1a9w h GLN 54 Ca -0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1a9w h GLN 54 Cb 1.33 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1a9w h GLN 54 CO 0.10 0.61 0.03 0.28 -0.67 0.00 0.00 178.83 179.18 1a9w h VAL 55 N -0.10 1.06 -0.09 -0.54 2.07 -1.83 0.18 116.25 117.00 1a9w h VAL 55 Ca 0.03 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1a9w h VAL 55 Cb 0.54 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1a9w h VAL 55 CO 0.02 0.05 -0.10 0.11 0.02 0.00 0.00 177.57 177.67 1a9w h LYS 56 N 0.02 0.13 0.00 1.57 6.56 -1.54 -1.01 116.57 122.30 1a9w h LYS 56 Ca 0.02 -0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 59.35 1a9w h LYS 56 Cb 0.05 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1a9w h LYS 56 CO -0.00 0.23 -0.98 0.78 -2.06 0.00 0.00 179.45 177.43 1a9w h GLY 57 N 0.52 0.55 2.00 3.86 0.00 -0.84 -3.17 103.07 105.99 1a9w h GLY 57 Ca 0.03 -0.97 -0.09 0.00 0.00 0.00 0.00 47.33 46.30 1a9w h GLY 57 CO 0.01 0.86 -0.43 0.84 0.00 0.00 0.00 176.54 177.82 1a9w h HIS 58 N 0.28 0.00 -0.56 5.60 6.17 -0.21 -2.90 115.15 123.52 1a9w h HIS 58 Ca -0.09 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 60.94 1a9w h HIS 58 Cb 1.62 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.52 1a9w h HIS 58 CO 0.07 0.43 0.18 0.78 0.71 0.00 0.00 177.93 180.11 1a9w h GLY 59 N 2.11 0.90 0.99 5.26 0.00 -1.17 -1.16 103.07 110.00 1a9w h GLY 59 Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 1a9w h GLY 59 CO 0.06 0.46 -0.20 0.07 0.00 0.00 0.00 176.54 176.92 1a9w h LYS 60 N 0.82 0.76 -0.29 4.80 2.10 -1.52 -1.42 116.57 121.81 1a9w h LYS 60 Ca 0.19 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1a9w h LYS 60 Cb 0.23 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1a9w h LYS 60 CO -0.01 0.96 0.19 0.87 -2.00 0.00 0.00 179.45 179.47 1a9w h LYS 61 N 0.54 0.38 -0.59 0.07 1.57 -1.38 -0.46 116.57 116.71 1a9w h LYS 61 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1a9w h LYS 61 Cb 0.76 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1a9w h LYS 61 CO 0.06 0.25 0.30 0.28 -0.57 0.00 0.00 179.45 179.77 1a9w h VAL 62 N 0.40 1.20 -0.65 0.50 2.07 -1.19 -2.22 116.25 116.35 1a9w h VAL 62 Ca 0.11 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1a9w h VAL 62 Cb -0.04 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1a9w h VAL 62 CO -0.03 0.23 0.28 0.00 0.02 0.00 0.00 177.57 178.07 1a9w h ALA 63 N 1.13 0.85 -0.49 1.67 0.00 -0.88 -2.33 119.26 119.21 1a9w h ALA 63 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1a9w h ALA 63 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a9w h ALA 63 CO -0.03 0.45 -0.02 -0.44 0.00 0.00 0.00 179.25 179.21 1a9w h ASP 64 N 0.92 0.79 -0.80 0.00 3.32 -0.92 -1.10 116.42 118.63 1a9w h ASP 64 Ca 0.22 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1a9w h ASP 64 Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1a9w h ASP 64 CO -0.02 0.87 0.38 0.00 -1.72 0.00 0.00 179.24 178.74 1a9w h ALA 65 N 1.22 1.14 -0.15 3.45 0.00 -1.13 -1.04 119.26 122.74 1a9w h ALA 65 Ca 0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1a9w h ALA 65 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1a9w h ALA 65 CO 0.02 0.65 -0.55 -0.07 0.00 0.00 0.00 179.25 179.30 1a9w h LEU 66 N 1.16 0.50 -1.15 0.00 3.38 -1.04 -1.91 115.31 116.25 1a9w h LEU 66 Ca 0.28 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1a9w h LEU 66 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1a9w h LEU 66 CO -0.03 0.95 -0.01 0.74 0.09 0.00 0.00 178.44 180.18 1a9w h THR 67 N 0.35 1.21 -0.23 0.22 2.02 -0.74 -2.00 112.91 113.74 1a9w h THR 67 Ca 0.01 -0.85 -0.14 0.00 0.77 0.00 0.00 66.41 66.19 1a9w h THR 67 Cb 1.07 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1a9w h THR 67 CO 0.10 0.29 -0.44 -1.13 0.37 0.00 0.00 175.52 174.71 1a9w h ASN 68 N 0.55 0.60 0.29 4.18 -0.00 -0.91 -2.81 115.58 117.47 1a9w h ASN 68 Ca 0.11 -0.28 -0.11 0.00 -0.00 0.00 0.00 56.30 56.02 1a9w h ASN 68 Cb 0.37 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 1a9w h ASN 68 CO 0.01 0.96 -0.44 0.00 -0.00 0.00 0.00 177.43 177.96 1a9w h ALA 69 N 1.07 1.10 -0.28 1.57 0.00 -0.81 -2.24 119.26 119.67 1a9w h ALA 69 Ca 0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1a9w h ALA 69 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1a9w h ALA 69 CO 0.08 0.60 -0.39 0.28 0.00 0.00 0.00 179.25 179.82 1a9w h VAL 70 N 0.16 1.29 -0.46 0.00 2.07 -1.20 -1.45 116.25 116.67 1a9w h VAL 70 Ca 0.01 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 65.83 1a9w h VAL 70 Cb 0.85 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1a9w h VAL 70 CO 0.07 0.50 -0.27 0.00 0.02 0.00 0.00 177.57 177.89 1a9w h ALA 71 N 1.02 0.65 -0.97 1.67 0.00 -1.33 -3.19 119.26 117.11 1a9w h ALA 71 Ca 0.05 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.88 1a9w h ALA 71 Cb 0.92 -0.15 -0.33 0.00 0.00 0.00 0.00 17.79 18.23 1a9w h ALA 71 CO 0.08 0.68 0.42 0.72 0.00 0.00 0.00 179.25 181.15 1a9w n HIS 72 N -4.09 3.10 0.17 0.00 -0.00 -0.86 -4.73 115.22 108.81 1a9w n HIS 72 Ca -0.01 -2.75 0.07 0.00 -0.00 0.00 0.00 57.72 55.04 1a9w n HIS 72 Cb 0.49 -1.08 0.37 0.00 -0.00 0.00 0.00 29.99 29.77 1a9w n HIS 72 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1a9w n VAL 73 N -0.79 1.31 0.92 1.59 3.14 -0.56 -1.02 118.33 122.92 1a9w n VAL 73 Ca 0.56 0.57 0.10 0.00 -2.96 0.00 0.00 64.34 62.61 1a9w n VAL 73 Cb 0.67 -1.54 0.02 0.00 -1.06 0.00 0.00 33.84 31.93 1a9w n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a9w n ASP 74 N -1.96 2.13 -2.68 6.55 8.00 -1.26 -4.50 116.55 122.82 1a9w n ASP 74 Ca -0.00 -1.56 -0.08 0.00 0.71 0.00 0.00 54.79 53.86 1a9w n ASP 74 Cb 0.06 0.37 0.07 0.00 -0.02 0.00 0.00 41.12 41.59 1a9w n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a9w n ASP 75 N 0.24 0.13 -0.26 -2.24 2.03 -0.18 -4.98 116.55 111.30 1a9w n ASP 75 Ca 0.09 -2.58 -0.05 0.00 0.52 0.00 0.00 54.79 52.78 1a9w n ASP 75 Cb 0.46 0.08 0.06 0.00 -0.72 0.00 0.00 41.12 40.99 1a9w n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a9w h MET 76 N 2.57 0.94 -0.78 -0.67 2.86 -1.68 -1.80 114.93 116.36 1a9w h MET 76 Ca -0.18 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1a9w h MET 76 Cb 1.23 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 1a9w h MET 76 CO 0.26 0.62 0.47 -1.35 1.06 0.00 0.00 176.91 177.97 1a9w h PRO 77 N 0.96 0.84 -0.01 -0.22 0.11 -1.93 -0.47 132.00 131.27 1a9w h PRO 77 Ca 0.26 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 66.08 1a9w h PRO 77 Cb -0.10 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 30.83 1a9w h PRO 77 CO -0.06 0.56 -0.96 -0.91 -0.21 0.00 0.00 178.00 176.41 1a9w h ASN 78 N 0.87 0.72 1.24 -2.05 2.35 -1.94 -2.81 115.58 113.96 1a9w h ASN 78 Ca 0.34 -0.56 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1a9w h ASN 78 Cb 0.16 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1a9w h ASN 78 CO -0.17 1.36 -0.21 0.00 -1.65 0.00 0.00 177.43 176.76 1a9w h ALA 79 N 0.59 0.94 -0.24 -0.83 0.00 -1.11 -3.25 119.26 115.36 1a9w h ALA 79 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a9w h ALA 79 Cb 1.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1a9w h ALA 79 CO 0.18 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1a9w n LEU 80 N -3.26 2.85 -0.02 0.00 4.77 -0.21 -4.71 117.00 116.42 1a9w n LEU 80 Ca 0.01 -2.21 0.23 0.00 -0.03 0.00 0.00 56.01 54.01 1a9w n LEU 80 Cb 0.49 -0.24 0.72 0.00 -2.33 0.00 0.00 43.42 42.06 1a9w n LEU 80 CO 0.34 0.67 1.20 0.77 -1.33 0.00 0.00 177.39 179.05 1a9w h SER 81 N 1.46 0.00 -0.06 -1.43 4.64 -1.53 -0.75 113.55 115.88 1a9w h SER 81 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1a9w h SER 81 Cb 0.80 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1a9w h SER 81 CO 0.03 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.54 1a9w h ALA 82 N 1.60 0.13 0.00 5.18 0.00 -1.87 -2.86 119.26 121.44 1a9w h ALA 82 Ca 0.28 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1a9w h ALA 82 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1a9w h ALA 82 CO -0.00 0.29 -0.49 -0.07 0.00 0.00 0.00 179.25 178.98 1a9w h LEU 83 N -0.07 0.00 -0.73 0.00 3.38 -1.66 -2.68 115.31 113.56 1a9w h LEU 83 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1a9w h LEU 83 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1a9w h LEU 83 CO 0.09 0.49 -0.10 -1.28 0.09 0.00 0.00 178.44 177.73 1a9w h SER 84 N 0.00 0.86 -0.15 -0.43 0.87 -1.22 -1.63 113.55 111.85 1a9w h SER 84 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1a9w h SER 84 Cb 0.94 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1a9w h SER 84 CO 0.06 0.98 0.04 -0.78 -0.53 0.00 0.00 176.83 176.61 1a9w h ASP 85 N 0.78 0.23 0.89 6.23 3.58 -1.27 -1.58 116.42 125.28 1a9w h ASP 85 Ca 0.13 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 1a9w h ASP 85 Cb 0.61 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.61 1a9w h ASP 85 CO 0.04 0.39 -0.43 0.25 -2.88 0.00 0.00 179.24 176.61 1a9w h LEU 86 N 0.05 -1.01 -0.46 2.28 5.85 -1.32 -0.95 115.31 119.75 1a9w h LEU 86 Ca 0.05 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1a9w h LEU 86 Cb 0.25 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1a9w h LEU 86 CO -0.00 -0.71 -0.51 0.45 -0.34 0.00 0.00 178.44 177.33 1a9w h HIS 87 N -1.21 0.87 0.02 1.25 3.86 -1.39 0.23 115.15 118.79 1a9w h HIS 87 Ca -0.12 -0.29 -0.25 0.00 -1.16 0.00 0.00 60.37 58.55 1a9w h HIS 87 Cb 0.91 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 1a9w h HIS 87 CO -0.01 1.06 -1.33 0.00 0.86 0.00 0.00 177.93 178.51 1a9w h ALA 88 N 0.88 0.28 0.00 2.45 0.00 -1.21 -1.42 119.26 120.25 1a9w h ALA 88 Ca 0.02 -1.21 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 1a9w h ALA 88 Cb 1.07 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1a9w h ALA 88 CO 0.10 0.77 -0.09 0.45 0.00 0.00 0.00 179.25 180.49 1a9w h HIS 89 N -0.83 0.00 0.19 0.00 3.86 -1.27 -3.32 115.15 113.78 1a9w h HIS 89 Ca -0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 1a9w h HIS 89 Cb 1.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.88 1a9w h HIS 89 CO 0.10 0.40 -0.09 0.87 0.86 0.00 0.00 177.93 180.07 1a9w h LYS 90 N -1.00 -0.25 -0.01 2.45 6.56 -1.14 -3.40 116.57 119.79 1a9w h LYS 90 Ca -0.01 0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 1a9w h LYS 90 Cb 0.42 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1a9w h LYS 90 CO -0.01 -0.16 -0.77 -0.07 -2.06 0.00 0.00 179.45 176.38 1a9w h LEU 91 N -0.77 0.12 -2.58 2.94 3.38 -0.72 -3.49 115.31 114.20 1a9w h LEU 91 Ca -0.03 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.55 1a9w h LEU 91 Cb 0.20 -0.04 0.17 0.00 0.09 0.00 0.00 40.66 41.08 1a9w h LEU 91 CO 0.04 0.85 -0.87 0.54 0.09 0.00 0.00 178.44 179.08 1a9w n ARG 92 N -3.68 -2.25 -2.61 1.13 1.74 -0.82 -4.96 116.66 105.20 1a9w n ARG 92 Ca -0.02 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 1a9w n ARG 92 Cb 0.74 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1a9w n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a9w s VAL 93 N -3.41 4.56 0.11 1.55 1.01 -0.60 -5.00 120.40 118.63 1a9w s VAL 93 Ca 0.43 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.95 1a9w s VAL 93 Cb -0.08 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1a9w s VAL 93 CO 0.77 0.15 1.53 -0.62 0.00 0.00 0.00 175.10 176.93 1a9w s ASP 94 N 0.98 6.67 0.54 3.32 -1.08 -1.26 -4.90 116.67 120.94 1a9w s ASP 94 Ca 0.54 2.47 0.27 0.00 -0.52 0.00 0.00 52.55 55.31 1a9w s ASP 94 Cb -0.24 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.08 1a9w s ASP 94 CO 0.29 -0.79 1.96 -0.65 0.52 0.00 0.00 175.17 176.50 1a9w h PRO 95 N 7.27 0.00 -0.07 4.34 0.11 -1.97 -1.83 132.00 139.86 1a9w h PRO 95 Ca -0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1a9w h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1a9w h PRO 95 CO 0.90 0.00 0.06 -0.39 -0.21 0.00 0.00 178.00 178.36 1a9w h VAL 96 N 0.00 0.82 -0.12 3.15 -1.51 -2.02 -1.21 116.25 115.35 1a9w h VAL 96 Ca 0.29 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.68 1a9w h VAL 96 Cb 1.20 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1a9w h VAL 96 CO -0.00 0.00 -0.26 0.78 -1.23 0.00 0.00 177.57 176.86 1a9w h ASN 97 N 0.00 0.21 0.01 4.19 2.35 -1.71 -2.46 115.58 118.17 1a9w h ASN 97 Ca 0.03 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1a9w h ASN 97 Cb 0.14 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1a9w h ASN 97 CO -0.00 0.48 -0.21 -0.26 -1.65 0.00 0.00 177.43 175.79 1a9w h PHE 98 N 0.20 0.38 -0.29 1.19 -1.00 -1.37 -1.05 116.94 114.99 1a9w h PHE 98 Ca 0.03 -0.07 -0.12 0.00 2.81 0.00 0.00 57.97 60.63 1a9w h PHE 98 Cb 0.57 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1a9w h PHE 98 CO 0.01 0.54 -0.31 0.87 -1.61 0.00 0.00 178.31 177.81 1a9w h LYS 99 N 0.32 0.60 -0.31 1.51 1.57 -1.46 -0.37 116.57 118.43 1a9w h LYS 99 Ca 0.05 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1a9w h LYS 99 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1a9w h LYS 99 CO 0.04 0.84 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.40 1a9w h LEU 100 N 0.52 0.78 -0.40 2.94 3.38 -1.23 -1.98 115.31 119.31 1a9w h LEU 100 Ca 0.06 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1a9w h LEU 100 Cb 0.79 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1a9w h LEU 100 CO 0.06 1.08 -0.20 0.25 0.09 0.00 0.00 178.44 179.72 1a9w h LEU 101 N 0.49 0.87 -1.06 1.67 5.85 -1.07 -2.49 115.31 119.57 1a9w h LEU 101 Ca 0.05 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1a9w h LEU 101 Cb 0.85 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1a9w h LEU 101 CO 0.07 1.09 0.63 0.28 -0.34 0.00 0.00 178.44 180.17 1a9w h SER 102 N 0.66 1.07 0.03 1.25 0.02 -1.03 -0.98 113.55 114.56 1a9w h SER 102 Ca 0.09 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1a9w h SER 102 Cb 0.77 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1a9w h SER 102 CO 0.06 0.75 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.75 1a9w h HIS 103 N 1.25 -0.03 0.00 3.45 -0.00 -1.25 -1.98 115.15 116.59 1a9w h HIS 103 Ca 0.37 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.71 1a9w h HIS 103 Cb -0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1a9w h HIS 103 CO -0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 177.93 177.95 1a9w h LEU 105 N 0.00 0.76 -0.42 0.00 5.85 -0.97 -2.31 115.31 118.21 1a9w h LEU 105 Ca -0.00 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1a9w h LEU 105 Cb 0.33 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1a9w h LEU 105 CO 0.02 1.28 0.13 -0.07 -0.34 0.00 0.00 178.44 179.46 1a9w h LEU 106 N 0.29 0.61 -0.93 2.25 3.38 -0.76 -2.16 115.31 117.99 1a9w h LEU 106 Ca -0.05 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1a9w h LEU 106 Cb 1.27 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1a9w h LEU 106 CO 0.13 0.66 0.60 0.58 0.09 0.00 0.00 178.44 180.49 1a9w h VAL 107 N 0.54 1.12 -0.45 1.22 2.07 -1.17 -1.11 116.25 118.47 1a9w h VAL 107 Ca 0.14 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1a9w h VAL 107 Cb 0.26 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1a9w h VAL 107 CO -0.00 0.21 0.13 0.74 0.02 0.00 0.00 177.57 178.66 1a9w h THR 108 N 1.13 1.23 -0.36 2.57 2.02 -1.08 -2.42 112.91 115.99 1a9w h THR 108 Ca 0.38 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1a9w h THR 108 Cb 0.07 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1a9w h THR 108 CO -0.14 0.27 -0.04 -0.07 0.37 0.00 0.00 175.52 175.91 1a9w h LEU 109 N 0.59 0.55 -1.10 2.58 3.38 -0.87 -2.75 115.31 117.69 1a9w h LEU 109 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1a9w h LEU 109 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a9w h LEU 109 CO -0.00 0.65 -0.29 0.00 0.09 0.00 0.00 178.44 178.89 1a9w h ALA 110 N 1.42 1.25 0.00 1.53 0.00 -0.93 -0.89 119.26 121.63 1a9w h ALA 110 Ca 0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1a9w h ALA 110 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a9w h ALA 110 CO 0.02 0.50 -0.86 0.00 0.00 0.00 0.00 179.25 178.91 1a9w h ALA 111 N 1.46 0.49 0.00 0.00 0.00 -1.16 -3.04 119.26 117.01 1a9w h ALA 111 Ca 0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 1a9w h ALA 111 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a9w h ALA 111 CO 0.05 1.08 -1.88 0.72 0.00 0.00 0.00 179.25 179.21 1a9w n HIS 112 N -3.39 0.20 -2.82 0.00 8.25 -1.07 -4.59 115.22 111.80 1a9w n HIS 112 Ca 0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 1a9w n HIS 112 Cb 0.86 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1a9w n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a9w n LEU 113 N -2.43 1.95 -0.02 2.41 4.77 -0.35 -4.94 117.00 118.40 1a9w n LEU 113 Ca -0.08 -4.46 0.16 0.00 -0.03 0.00 0.00 56.01 51.60 1a9w n LEU 113 Cb 0.67 0.31 0.62 0.00 -2.33 0.00 0.00 43.42 42.69 1a9w n LEU 113 CO 0.45 1.94 1.18 1.55 -1.33 0.00 0.00 177.39 181.17 1a9w h PRO 114 N 2.94 0.15 -0.30 3.23 0.13 -1.71 -0.49 132.00 135.95 1a9w h PRO 114 Ca 0.03 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1a9w h PRO 114 Cb 1.03 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1a9w h PRO 114 CO 0.57 0.10 -0.53 0.00 -0.23 0.00 0.00 178.00 177.91 1a9w h ALA 115 N 1.74 0.48 0.00 -0.56 0.00 -1.92 -3.25 119.26 115.75 1a9w h ALA 115 Ca 0.25 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1a9w h ALA 115 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1a9w h ALA 115 CO -0.03 0.68 -0.44 0.93 0.00 0.00 0.00 179.25 180.38 1a9w h GLU 116 N 0.68 0.00 -3.57 0.00 4.39 -1.69 -3.40 114.58 110.99 1a9w h GLU 116 Ca 0.02 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 1a9w h GLU 116 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1a9w h GLU 116 CO 0.12 0.30 3.35 0.34 -1.16 0.00 0.00 179.01 181.96 1a9w n PHE 117 N -3.13 3.07 -1.59 4.33 7.35 -0.29 -4.87 117.46 122.34 1a9w n PHE 117 Ca 0.02 -3.01 -0.31 0.00 -0.76 0.00 0.00 57.45 53.38 1a9w n PHE 117 Cb 0.67 -2.50 0.05 0.00 0.35 0.00 0.00 39.48 38.05 1a9w n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a9w s THR 118 N 2.60 4.03 0.37 -2.13 -4.23 -1.26 -4.79 115.64 110.23 1a9w s THR 118 Ca 0.56 0.67 0.11 0.00 -1.18 0.00 0.00 61.69 61.84 1a9w s THR 118 Cb 0.15 -3.40 0.34 0.00 1.34 0.00 0.00 72.50 70.93 1a9w s THR 118 CO -0.08 -0.85 1.86 -0.65 -0.54 0.00 0.00 174.62 174.36 1a9w h PRO 119 N -0.68 0.59 -0.62 3.99 0.11 -1.99 -0.71 132.00 132.69 1a9w h PRO 119 Ca -0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1a9w h PRO 119 Cb 1.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1a9w h PRO 119 CO 0.57 0.39 0.15 0.00 -0.21 0.00 0.00 178.00 178.90 1a9w h ALA 120 N 1.61 0.81 -0.21 -0.75 0.00 -1.98 -1.24 119.26 117.50 1a9w h ALA 120 Ca 0.46 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1a9w h ALA 120 Cb 0.85 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a9w h ALA 120 CO -0.21 0.52 -0.18 0.28 0.00 0.00 0.00 179.25 179.66 1a9w h VAL 121 N 0.90 1.32 -0.33 0.00 2.07 -1.63 -2.70 116.25 115.89 1a9w h VAL 121 Ca 0.19 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.45 1a9w h VAL 121 Cb 0.36 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1a9w h VAL 121 CO 0.00 0.41 -0.14 -0.74 0.02 0.00 0.00 177.57 177.12 1a9w h HIS 122 N 0.17 -0.33 -0.76 1.57 6.17 -1.04 0.07 115.15 121.00 1a9w h HIS 122 Ca 0.04 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1a9w h HIS 122 Cb 0.72 0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.80 1a9w h HIS 122 CO 0.08 -0.21 0.49 0.00 0.71 0.00 0.00 177.93 179.00 1a9w h ALA 123 N 1.19 1.00 -0.34 5.26 0.00 -1.21 -0.81 119.26 124.34 1a9w h ALA 123 Ca 0.17 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1a9w h ALA 123 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a9w h ALA 123 CO -0.38 0.31 -0.39 0.77 0.00 0.00 0.00 179.25 179.56 1a9w h SER 124 N 0.97 0.88 -0.45 0.00 0.02 -1.06 -2.71 113.55 111.21 1a9w h SER 124 Ca 0.30 -0.40 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1a9w h SER 124 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1a9w h SER 124 CO -0.10 1.16 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.45 1a9w h LEU 125 N 0.68 0.98 -0.73 5.07 3.38 -0.73 -0.85 115.31 123.11 1a9w h LEU 125 Ca 0.06 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1a9w h LEU 125 Cb 0.96 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1a9w h LEU 125 CO 0.09 1.18 0.44 -0.78 0.09 0.00 0.00 178.44 179.46 1a9w h ASP 126 N 0.79 0.71 -0.21 -0.43 3.58 -1.11 0.19 116.42 119.94 1a9w h ASP 126 Ca 0.10 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1a9w h ASP 126 Cb 0.82 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1a9w h ASP 126 CO 0.07 0.48 -0.05 0.11 -2.88 0.00 0.00 179.24 176.97 1a9w h LYS 127 N 0.84 0.40 -0.24 0.28 1.57 -1.34 -1.84 116.57 116.25 1a9w h LYS 127 Ca 0.30 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1a9w h LYS 127 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1a9w h LYS 127 CO -0.14 0.65 0.02 0.35 -0.57 0.00 0.00 179.45 179.76 1a9w h PHE 128 N 0.13 0.03 0.00 -1.35 3.57 -0.50 -1.32 116.94 117.50 1a9w h PHE 128 Ca 0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a9w h PHE 128 Cb 0.50 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1a9w h PHE 128 CO 0.05 -0.01 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.87 1a9w h LEU 129 N 0.10 0.00 -0.57 0.59 3.38 -0.60 -1.67 115.31 116.56 1a9w h LEU 129 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1a9w h LEU 129 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1a9w h LEU 129 CO -0.17 0.18 -0.39 0.00 0.09 0.00 0.00 178.44 178.15 1a9w h ALA 130 N 1.82 0.74 -0.33 1.53 0.00 -0.49 -1.70 119.26 120.84 1a9w h ALA 130 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1a9w h ALA 130 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a9w h ALA 130 CO 0.02 0.66 -0.04 0.77 0.00 0.00 0.00 179.25 180.66 1a9w h SER 131 N 0.59 0.61 -0.35 0.00 0.02 -0.40 -1.53 113.55 112.50 1a9w h SER 131 Ca 0.05 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1a9w h SER 131 Cb 0.93 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1a9w h SER 131 CO 0.08 0.81 0.22 0.58 -1.14 0.00 0.00 176.83 177.38 1a9w h VAL 132 N 0.41 1.08 -0.86 2.27 2.07 -1.29 -2.26 116.25 117.67 1a9w h VAL 132 Ca 0.09 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1a9w h VAL 132 Cb 0.51 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1a9w h VAL 132 CO 0.02 0.08 0.56 0.28 0.02 0.00 0.00 177.57 178.54 1a9w h SER 133 N 0.45 0.95 -0.79 0.57 0.02 -1.14 -1.69 113.55 111.92 1a9w h SER 133 Ca 0.13 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1a9w h SER 133 Cb -0.04 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1a9w h SER 133 CO -0.04 0.67 0.51 0.74 -1.14 0.00 0.00 176.83 177.57 1a9w h THR 134 N 1.12 1.21 -0.45 -2.27 2.02 -0.89 -1.92 112.91 111.72 1a9w h THR 134 Ca 0.33 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1a9w h THR 134 Cb -0.07 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1a9w h THR 134 CO -0.09 0.21 -0.06 0.58 0.37 0.00 0.00 175.52 176.52 1a9w h VAL 135 N 1.08 1.27 0.00 3.16 2.07 -0.84 -2.87 116.25 120.11 1a9w h VAL 135 Ca 0.29 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1a9w h VAL 135 Cb -0.10 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1a9w h VAL 135 CO -0.06 0.40 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 1a9w h LEU 136 N 0.68 0.00 -1.79 2.57 3.38 -1.07 -3.07 115.31 116.00 1a9w h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1a9w h LEU 136 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1a9w h LEU 136 CO 0.04 0.00 -0.01 0.35 0.09 0.00 0.00 178.44 178.91 1a9w n THR 137 N -2.31 0.00 -4.17 0.22 -2.24 -0.75 -3.07 114.28 101.97 1a9w n THR 137 Ca 0.04 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1a9w n THR 137 Cb 0.32 1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.90 1a9w n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a9w s SER 138 N -1.73 5.61 -0.51 3.42 0.01 -1.09 -4.87 113.70 114.54 1a9w s SER 138 Ca 0.24 0.18 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 1a9w s SER 138 Cb 0.17 -1.63 0.11 0.00 0.21 0.00 0.00 66.02 64.88 1a9w s SER 138 CO 0.26 0.33 0.46 -0.54 0.41 0.00 0.00 173.24 174.15 1a9w s LYS 139 N -1.35 2.97 -0.14 12.44 1.02 -1.26 -4.85 119.74 128.57 1a9w s LYS 139 Ca 0.18 -1.58 0.15 0.00 0.02 0.00 0.00 55.97 54.74 1a9w s LYS 139 Cb -0.12 -4.22 0.32 0.00 -0.52 0.00 0.00 37.83 33.29 1a9w s LYS 139 CO 0.08 -1.21 1.16 2.48 -0.92 0.00 0.00 175.35 176.94 1a9w n TYR 140 N 5.22 0.00 -0.25 3.18 4.11 -1.26 -5.18 117.16 122.99 1a9w n TYR 140 Ca -0.13 -1.05 0.00 0.00 -0.00 0.00 0.00 57.90 56.72 1a9w n TYR 140 Cb 0.41 -0.18 0.00 0.00 -0.00 0.00 0.00 39.34 39.58 1a9w n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40