#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9w s HIS 2 N 0.00 3.39 -0.07 1.45 3.76 -1.26 -4.94 115.29 117.62 1a9w s HIS 2 Ca 0.00 0.34 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1a9w s HIS 2 Cb 0.00 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1a9w s HIS 2 CO 0.00 0.61 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.37 1a9w s PHE 3 N -1.05 2.92 0.62 1.40 0.40 -1.26 -5.13 117.98 115.88 1a9w s PHE 3 Ca 0.17 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1a9w s PHE 3 Cb -0.12 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1a9w s PHE 3 CO 0.07 0.29 0.94 0.95 0.70 0.00 0.00 175.22 178.17 1a9w s THR 4 N -0.72 3.56 0.36 0.64 -4.23 -1.26 -4.91 115.64 109.08 1a9w s THR 4 Ca 0.11 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1a9w s THR 4 Cb -0.11 -3.44 0.17 0.00 1.34 0.00 0.00 72.50 70.46 1a9w s THR 4 CO 0.02 -0.47 1.90 0.00 -0.54 0.00 0.00 174.62 175.52 1a9w h ALA 5 N -0.28 1.44 -0.03 3.99 0.00 -2.00 -1.86 119.26 120.53 1a9w h ALA 5 Ca -0.45 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1a9w h ALA 5 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1a9w h ALA 5 CO 0.61 0.40 -0.55 0.93 0.00 0.00 0.00 179.25 180.64 1a9w h GLU 6 N 0.43 0.07 0.01 0.00 5.08 -2.00 -2.56 114.58 115.62 1a9w h GLU 6 Ca 0.09 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 1a9w h GLU 6 Cb 0.31 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 1a9w h GLU 6 CO 0.01 0.60 -0.90 0.93 -1.00 0.00 0.00 179.01 178.66 1a9w h GLU 7 N 0.06 0.59 0.00 2.33 5.08 -1.82 -2.80 114.58 118.02 1a9w h GLU 7 Ca -0.00 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 57.67 1a9w h GLU 7 Cb 0.99 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1a9w h GLU 7 CO 0.08 1.25 -0.17 0.87 -1.00 0.00 0.00 179.01 180.04 1a9w h LYS 8 N 0.20 0.00 0.24 2.33 1.57 -1.31 -2.77 116.57 116.83 1a9w h LYS 8 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a9w h LYS 8 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1a9w h LYS 8 CO 0.18 0.17 -0.12 0.00 -0.57 0.00 0.00 179.45 179.11 1a9w h ALA 9 N 1.83 -0.33 -0.82 3.86 0.00 -1.41 -2.55 119.26 119.83 1a9w h ALA 9 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1a9w h ALA 9 Cb 0.34 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1a9w h ALA 9 CO 0.02 -0.48 0.45 0.00 0.00 0.00 0.00 179.25 179.24 1a9w h ALA 10 N -0.14 1.19 0.07 0.00 0.00 -1.28 -0.03 119.26 119.07 1a9w h ALA 10 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a9w h ALA 10 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a9w h ALA 10 CO 0.06 0.04 -0.04 0.28 0.00 0.00 0.00 179.25 179.59 1a9w h VAL 11 N 0.73 1.15 0.00 0.00 2.07 -1.56 -3.18 116.25 115.46 1a9w h VAL 11 Ca 0.41 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1a9w h VAL 11 Cb 0.44 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1a9w h VAL 11 CO -0.28 0.20 -0.26 0.74 0.02 0.00 0.00 177.57 177.99 1a9w h THR 12 N -0.47 0.93 -0.57 2.57 2.02 -1.17 -2.44 112.91 113.78 1a9w h THR 12 Ca -0.01 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.12 1a9w h THR 12 Cb 0.40 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1a9w h THR 12 CO 0.02 0.26 0.11 0.28 0.37 0.00 0.00 175.52 176.56 1a9w h SER 13 N 0.00 0.89 0.54 4.18 0.02 -1.02 -3.00 113.55 115.16 1a9w h SER 13 Ca -0.00 -0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.41 1a9w h SER 13 Cb 0.56 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1a9w h SER 13 CO 0.03 0.91 -1.32 -0.07 -1.14 0.00 0.00 176.83 175.24 1a9w h LEU 14 N 0.83 0.50 -1.82 5.07 4.07 -1.51 -3.28 115.31 119.18 1a9w h LEU 14 Ca 0.18 -0.55 0.09 0.00 0.08 0.00 0.00 57.88 57.67 1a9w h LEU 14 Cb 0.38 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1a9w h LEU 14 CO 0.01 1.44 0.30 -0.25 -1.08 0.00 0.00 178.44 178.85 1a9w h TRP 15 N 0.09 0.22 -0.50 1.13 2.91 -1.44 -1.31 115.95 117.05 1a9w h TRP 15 Ca -0.17 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.74 1a9w h TRP 15 Cb 2.02 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 30.58 1a9w h TRP 15 CO 0.08 0.11 -0.13 0.77 -1.03 0.00 0.00 178.44 178.24 1a9w h SER 16 N 0.21 0.99 -0.44 2.65 0.02 -1.58 -3.21 113.55 112.19 1a9w h SER 16 Ca 0.20 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1a9w h SER 16 Cb 0.51 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1a9w h SER 16 CO -0.04 1.12 0.00 0.29 -1.14 0.00 0.00 176.83 177.07 1a9w n LYS 17 N -4.18 2.02 -4.11 3.45 5.02 -0.52 -4.98 118.16 114.86 1a9w n LYS 17 Ca 0.01 -1.58 -0.31 0.00 -2.02 0.00 0.00 58.31 54.40 1a9w n LYS 17 Cb 0.41 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 1a9w n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a9w s MET 18 N -1.41 2.82 -1.16 1.97 0.23 -1.04 -5.02 119.30 115.68 1a9w s MET 18 Ca 0.29 -0.68 -0.23 0.00 -1.03 0.00 0.00 55.69 54.04 1a9w s MET 18 Cb 0.15 -2.70 -0.08 0.00 -1.53 0.00 0.00 34.83 30.67 1a9w s MET 18 CO 0.20 0.58 1.93 1.21 -2.03 0.00 0.00 175.02 176.91 1a9w s ASN 19 N -2.17 5.06 0.59 -1.18 2.47 -1.26 -4.79 114.94 113.66 1a9w s ASN 19 Ca 0.26 -1.60 0.28 0.00 0.42 0.00 0.00 52.86 52.23 1a9w s ASN 19 Cb -0.12 -2.59 1.65 0.00 -1.45 0.00 0.00 41.25 38.74 1a9w s ASN 19 CO 0.18 -3.03 2.11 1.62 -3.72 0.00 0.00 177.10 174.26 1a9w h VAL 20 N 6.25 0.50 0.00 -5.21 3.04 -1.95 -1.39 116.25 117.49 1a9w h VAL 20 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1a9w h VAL 20 Cb 0.94 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1a9w h VAL 20 CO 1.23 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 177.17 1a9w n GLU 21 N -3.85 0.00 0.19 4.17 -0.58 -1.26 -4.13 120.64 115.17 1a9w n GLU 21 Ca 0.01 0.36 0.05 0.00 -0.42 0.00 0.00 57.16 57.17 1a9w n GLU 21 Cb 0.31 -1.15 0.33 0.00 -0.57 0.00 0.00 31.44 30.36 1a9w n GLU 21 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a9w h GLU 22 N 0.00 0.00 0.00 3.49 4.39 -1.96 -3.31 114.58 117.20 1a9w h GLU 22 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a9w h GLU 22 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1a9w h GLU 22 CO 0.00 0.39 0.00 0.00 -1.16 0.00 0.00 179.01 178.24 1a9w h ALA 23 N 1.61 1.00 0.11 3.43 0.00 -1.44 -3.12 119.26 120.85 1a9w h ALA 23 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a9w h ALA 23 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1a9w h ALA 23 CO 0.05 0.00 -0.05 0.78 0.00 0.00 0.00 179.25 180.03 1a9w h GLY 24 N 2.17 -0.15 2.00 0.00 0.00 -1.72 -3.00 103.07 102.37 1a9w h GLY 24 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1a9w h GLY 24 CO 0.00 -0.06 -0.05 -1.33 0.00 0.00 0.00 176.54 175.10 1a9w h GLY 25 N -0.77 0.00 0.96 4.60 0.00 -1.71 -2.45 103.07 103.70 1a9w h GLY 25 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1a9w h GLY 25 CO 0.02 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.31 1a9w h GLU 26 N 0.00 0.73 -0.01 4.80 4.39 -1.54 -0.99 114.58 121.96 1a9w h GLU 26 Ca -0.00 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1a9w h GLU 26 Cb 0.40 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a9w h GLU 26 CO 0.01 0.87 -0.01 0.00 -1.16 0.00 0.00 179.01 178.72 1a9w h ALA 27 N 0.84 0.01 -0.71 3.43 0.00 -1.33 -2.58 119.26 118.92 1a9w h ALA 27 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1a9w h ALA 27 Cb 0.59 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1a9w h ALA 27 CO 0.04 -0.23 0.41 1.25 0.00 0.00 0.00 179.25 180.72 1a9w h LEU 28 N -0.50 0.85 -0.12 0.00 5.85 -1.50 -1.42 115.31 118.47 1a9w h LEU 28 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1a9w h LEU 28 Cb 0.52 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1a9w h LEU 28 CO 0.00 0.67 0.06 1.23 -0.34 0.00 0.00 178.44 180.06 1a9w h GLY 29 N 1.01 0.18 1.48 3.75 0.00 -1.19 -2.33 103.07 105.96 1a9w h GLY 29 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1a9w h GLY 29 CO -0.05 0.08 0.20 3.21 0.00 0.00 0.00 176.54 179.98 1a9w h ARG 30 N 0.09 0.68 -0.14 4.80 3.08 -1.02 -1.42 114.38 120.45 1a9w h ARG 30 Ca 0.04 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1a9w h ARG 30 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1a9w h ARG 30 CO -0.01 0.56 0.08 1.25 -1.07 0.00 0.00 179.97 180.78 1a9w h LEU 31 N 0.68 0.17 -1.24 3.04 5.85 -1.03 -0.21 115.31 122.57 1a9w h LEU 31 Ca 0.17 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1a9w h LEU 31 Cb 0.13 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1a9w h LEU 31 CO -0.02 0.21 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.02 1a9w h LEU 32 N 0.12 0.27 0.07 2.25 3.38 -1.05 -0.54 115.31 119.81 1a9w h LEU 32 Ca 0.05 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1a9w h LEU 32 Cb 0.07 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1a9w h LEU 32 CO -0.01 0.48 -0.44 0.58 0.09 0.00 0.00 178.44 179.14 1a9w h VAL 33 N 0.25 1.61 0.00 1.22 2.07 -1.06 -3.27 116.25 117.09 1a9w h VAL 33 Ca 0.04 -2.37 -0.23 0.00 0.82 0.00 0.00 66.70 64.97 1a9w h VAL 33 Cb 0.50 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1a9w h VAL 33 CO 0.03 0.65 -0.96 0.58 0.02 0.00 0.00 177.57 177.89 1a9w h VAL 34 N -0.60 1.39 -2.93 2.57 2.07 -1.06 -3.38 116.25 114.33 1a9w h VAL 34 Ca -0.07 -2.44 -0.61 0.00 0.82 0.00 0.00 66.70 64.39 1a9w h VAL 34 Cb 1.31 2.43 -0.41 0.00 -1.52 0.00 0.00 31.29 33.10 1a9w h VAL 34 CO 0.08 0.73 -0.63 -1.22 0.02 0.00 0.00 177.57 176.55 1a9w n TYR 35 N -3.75 2.70 -0.34 1.57 4.01 -0.21 -5.00 117.16 116.14 1a9w n TYR 35 Ca -0.07 -4.17 0.21 0.00 -0.16 0.00 0.00 57.90 53.71 1a9w n TYR 35 Cb 0.84 -0.50 0.44 0.00 -0.31 0.00 0.00 39.34 39.81 1a9w n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1a9w h PRO 36 N 5.33 0.42 0.00 -0.72 0.11 -1.74 -2.25 132.00 133.15 1a9w h PRO 36 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1a9w h PRO 36 Cb 0.77 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1a9w h PRO 36 CO 0.68 0.28 0.00 0.11 -0.21 0.00 0.00 178.00 178.86 1a9w h TRP 37 N 0.44 0.00 0.00 0.65 0.09 -1.93 -1.51 115.95 113.68 1a9w h TRP 37 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.67 1a9w h TRP 37 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.73 1a9w h TRP 37 CO -0.01 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.77 1a9w n THR 38 N -2.60 0.71 0.31 0.12 -2.24 -0.85 -2.76 114.28 106.97 1a9w n THR 38 Ca -0.01 0.04 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 1a9w n THR 38 Cb 0.09 -0.90 0.72 0.00 -2.10 0.00 0.00 70.33 68.13 1a9w n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1a9w h GLN 39 N 0.00 0.00 -0.26 -0.78 4.20 -1.49 -2.76 115.11 114.02 1a9w h GLN 39 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1a9w h GLN 39 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1a9w h GLN 39 CO 0.00 0.00 0.08 -0.09 -0.67 0.00 0.00 178.83 178.15 1a9w h ARG 40 N 0.00 0.36 0.00 1.46 2.43 -1.72 -1.78 114.38 115.13 1a9w h ARG 40 Ca 0.00 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1a9w h ARG 40 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1a9w h ARG 40 CO 0.00 0.32 -0.45 0.74 -1.51 0.00 0.00 179.97 179.07 1a9w h PHE 41 N 0.36 0.00 -0.35 2.20 0.04 -1.73 -3.27 116.94 114.19 1a9w h PHE 41 Ca 0.09 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1a9w h PHE 41 Cb 0.11 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1a9w h PHE 41 CO 0.00 0.36 0.02 1.19 -0.60 0.00 0.00 178.31 179.29 1a9w n PHE 42 N -3.15 1.21 -0.33 -0.55 3.72 -1.00 -4.66 117.46 112.71 1a9w n PHE 42 Ca 0.02 -1.03 0.19 0.00 -0.05 0.00 0.00 57.45 56.57 1a9w n PHE 42 Cb 0.68 -0.40 0.43 0.00 -0.94 0.00 0.00 39.48 39.25 1a9w n PHE 42 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1a9w h ASP 43 N 1.87 0.58 0.67 4.37 1.82 -1.39 -0.29 116.42 124.06 1a9w h ASP 43 Ca 0.07 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1a9w h ASP 43 Cb 1.62 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1a9w h ASP 43 CO 0.33 0.15 0.00 0.77 -1.61 0.00 0.00 179.24 178.88 1a9w h SER 44 N 0.54 0.00 0.62 2.28 4.64 -1.89 -3.20 113.55 116.55 1a9w h SER 44 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1a9w h SER 44 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a9w h SER 44 CO -0.34 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.11 1a9w n PHE 45 N -2.42 0.58 0.00 4.77 3.01 -0.12 -5.00 117.46 118.28 1a9w n PHE 45 Ca 0.01 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.70 1a9w n PHE 45 Cb 0.22 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 38.81 1a9w n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a9w n GLY 46 N -0.09 0.60 3.59 1.37 0.00 -1.21 -4.80 105.19 104.65 1a9w n GLY 46 Ca 0.02 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1a9w n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a9w s ASN 47 N -4.00 6.17 -0.15 1.61 3.04 -1.26 -4.83 114.94 115.52 1a9w s ASN 47 Ca 0.00 0.82 0.17 0.00 0.04 0.00 0.00 52.86 53.89 1a9w s ASN 47 Cb 0.00 -2.54 0.44 0.00 -1.54 0.00 0.00 41.25 37.61 1a9w s ASN 47 CO 0.00 -1.57 1.19 0.18 -3.04 0.00 0.00 177.10 173.86 1a9w n LEU 48 N 9.40 2.23 0.13 3.21 4.77 -1.26 -4.12 117.00 131.36 1a9w n LEU 48 Ca 0.17 -3.22 -0.00 0.00 -0.03 0.00 0.00 56.01 52.93 1a9w n LEU 48 Cb 0.48 -0.22 0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1a9w n LEU 48 CO 0.70 1.12 0.46 0.77 -1.33 0.00 0.00 177.39 179.11 1a9w h SER 49 N 1.29 0.00 -5.26 -1.43 4.64 -1.92 -3.46 113.55 107.41 1a9w h SER 49 Ca -0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 1a9w h SER 49 Cb 1.42 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.36 1a9w h SER 49 CO 0.14 0.62 -0.52 -0.94 -0.87 0.00 0.00 176.83 175.26 1a9w s SER 50 N -6.63 0.27 0.41 4.97 1.04 -1.26 -5.02 113.70 107.47 1a9w s SER 50 Ca 0.01 -0.92 0.12 0.00 0.48 0.00 0.00 55.95 55.64 1a9w s SER 50 Cb 0.11 0.30 0.96 0.00 0.10 0.00 0.00 66.02 67.49 1a9w s SER 50 CO 0.75 -0.72 1.95 -0.65 0.98 0.00 0.00 173.24 175.56 1a9w h PRO 51 N 2.87 0.49 -0.13 4.02 0.11 -1.99 0.20 132.00 137.56 1a9w h PRO 51 Ca -0.34 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1a9w h PRO 51 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a9w h PRO 51 CO 0.59 0.32 -0.45 0.77 -0.21 0.00 0.00 178.00 179.01 1a9w h SER 52 N 0.50 0.63 -0.48 -2.05 0.02 -1.98 -2.08 113.55 108.12 1a9w h SER 52 Ca 0.32 -0.61 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 1a9w h SER 52 Cb 0.58 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1a9w h SER 52 CO -0.10 1.13 -0.07 0.00 -1.14 0.00 0.00 176.83 176.64 1a9w h ALA 53 N 0.52 0.89 -0.07 3.77 0.00 -1.65 -0.44 119.26 122.28 1a9w h ALA 53 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1a9w h ALA 53 Cb 1.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a9w h ALA 53 CO 0.10 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.78 1a9w h ILE 54 N 0.85 1.31 0.00 0.00 2.04 -0.67 -0.73 117.51 120.30 1a9w h ILE 54 Ca 0.14 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 1a9w h ILE 54 Cb 0.60 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1a9w h ILE 54 CO 0.04 0.27 -0.36 -0.07 0.00 0.00 0.00 178.15 178.03 1a9w h LEU 55 N -0.21 0.00 0.00 1.44 3.38 -1.38 -2.83 115.31 115.71 1a9w h LEU 55 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a9w h LEU 55 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1a9w h LEU 55 CO 0.01 0.36 -0.39 1.23 0.09 0.00 0.00 178.44 179.74 1a9w h GLY 56 N 1.40 0.00 -5.13 0.83 0.00 -1.01 -3.47 103.07 95.69 1a9w h GLY 56 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.77 1a9w h GLY 56 CO 0.05 0.00 1.06 -2.01 0.00 0.00 0.00 176.54 175.64 1a9w n ASN 57 N -2.66 3.80 -0.17 0.19 2.85 -0.29 -4.90 115.26 114.08 1a9w n ASN 57 Ca 0.03 1.00 -0.04 0.00 -0.11 0.00 0.00 54.58 55.46 1a9w n ASN 57 Cb 0.50 -1.50 0.15 0.00 1.24 0.00 0.00 39.78 40.17 1a9w n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1a9w h PRO 58 N 8.24 0.92 0.00 1.20 0.11 -1.89 -3.03 132.00 137.55 1a9w h PRO 58 Ca -0.46 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 65.42 1a9w h PRO 58 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1a9w h PRO 58 CO 0.94 0.83 -0.13 0.87 -0.21 0.00 0.00 178.00 180.29 1a9w h LYS 59 N 0.89 0.00 -0.01 1.05 6.56 -1.90 -2.13 116.57 121.03 1a9w h LYS 59 Ca 0.19 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.68 1a9w h LYS 59 Cb 0.32 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.99 1a9w h LYS 59 CO -0.00 0.13 -0.38 0.28 -2.06 0.00 0.00 179.45 177.42 1a9w h VAL 60 N 0.00 1.50 -0.77 0.50 2.07 -1.84 -2.36 116.25 115.35 1a9w h VAL 60 Ca -0.00 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 1a9w h VAL 60 Cb 0.78 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1a9w h VAL 60 CO 0.02 0.56 0.30 0.11 0.02 0.00 0.00 177.57 178.57 1a9w h LYS 61 N -0.34 1.16 -0.02 1.57 1.57 -1.49 0.37 116.57 119.38 1a9w h LYS 61 Ca -0.05 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1a9w h LYS 61 Cb 1.11 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1a9w h LYS 61 CO 0.07 0.95 0.01 0.00 -0.57 0.00 0.00 179.45 179.91 1a9w h ALA 62 N 1.19 0.03 0.00 3.86 0.00 -1.44 -2.40 119.26 120.50 1a9w h ALA 62 Ca 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1a9w h ALA 62 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a9w h ALA 62 CO -0.02 -0.36 -0.30 1.25 0.00 0.00 0.00 179.25 179.82 1a9w h HIS 63 N -0.18 0.00 -0.63 0.00 6.17 -1.34 -2.81 115.15 116.36 1a9w h HIS 63 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.07 1a9w h HIS 63 Cb 0.22 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1a9w h HIS 63 CO -0.00 0.30 0.33 0.78 0.71 0.00 0.00 177.93 180.05 1a9w h GLY 64 N 1.36 0.96 0.89 5.26 0.00 -0.54 -2.13 103.07 108.88 1a9w h GLY 64 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.91 1a9w h GLY 64 CO 0.04 0.43 0.56 0.50 0.00 0.00 0.00 176.54 178.07 1a9w h LYS 65 N 0.86 1.07 -0.61 4.80 6.56 -1.17 -1.53 116.57 126.55 1a9w h LYS 65 Ca 0.22 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1a9w h LYS 65 Cb 0.07 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 31.46 1a9w h LYS 65 CO -0.03 0.71 0.32 0.87 -2.06 0.00 0.00 179.45 179.26 1a9w h LYS 66 N 1.10 0.86 -0.19 3.15 1.57 -1.42 -1.34 116.57 120.30 1a9w h LYS 66 Ca 0.34 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1a9w h LYS 66 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1a9w h LYS 66 CO -0.11 0.66 0.02 0.28 -0.57 0.00 0.00 179.45 179.73 1a9w h VAL 67 N 0.83 1.24 -0.83 0.50 2.07 -1.06 -2.37 116.25 116.63 1a9w h VAL 67 Ca 0.21 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1a9w h VAL 67 Cb 0.06 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1a9w h VAL 67 CO -0.03 0.24 0.54 0.25 0.02 0.00 0.00 177.57 178.59 1a9w h LEU 68 N 0.10 0.86 -0.26 2.57 5.85 -1.14 -2.39 115.31 120.89 1a9w h LEU 68 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1a9w h LEU 68 Cb 0.34 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1a9w h LEU 68 CO 0.01 0.58 0.14 0.74 -0.34 0.00 0.00 178.44 179.56 1a9w h THR 69 N 0.99 1.13 0.00 1.05 2.02 -1.01 -2.22 112.91 114.87 1a9w h THR 69 Ca 0.34 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1a9w h THR 69 Cb 0.10 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1a9w h THR 69 CO -0.11 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.37 1a9w n SER 70 N -4.83 0.59 0.06 4.18 3.41 -0.91 -0.89 113.62 115.23 1a9w n SER 70 Ca -0.02 0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1a9w n SER 70 Cb 0.08 -0.82 -0.13 0.00 -0.26 0.00 0.00 64.21 63.09 1a9w n SER 70 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1a9w h PHE 71 N 0.00 0.19 -0.01 7.33 0.04 -1.19 -3.23 116.94 120.07 1a9w h PHE 71 Ca 0.00 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.54 1a9w h PHE 71 Cb 0.15 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1a9w h PHE 71 CO 0.00 1.12 -0.47 0.78 -0.60 0.00 0.00 178.31 179.15 1a9w h GLY 72 N 2.52 0.02 2.00 -1.45 0.00 -0.81 -2.36 103.07 103.00 1a9w h GLY 72 Ca -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1a9w h GLY 72 CO 0.15 0.02 -0.26 -0.55 0.00 0.00 0.00 176.54 175.89 1a9w h ASP 73 N 0.01 0.00 -0.15 0.19 5.19 -1.53 -2.97 116.42 117.15 1a9w h ASP 73 Ca -0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1a9w h ASP 73 Cb 0.83 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.35 1a9w h ASP 73 CO 0.06 0.26 -0.60 0.00 -3.12 0.00 0.00 179.24 175.84 1a9w h ALA 74 N 1.74 0.28 -0.25 3.45 0.00 -1.44 -2.88 119.26 120.15 1a9w h ALA 74 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1a9w h ALA 74 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a9w h ALA 74 CO 0.03 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.67 1a9w h ILE 75 N 0.36 1.14 0.00 0.00 2.04 -1.39 -1.52 117.51 118.14 1a9w h ILE 75 Ca -0.03 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1a9w h ILE 75 Cb 1.23 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1a9w h ILE 75 CO 0.13 0.18 0.00 0.11 0.00 0.00 0.00 178.15 178.56 1a9w h LYS 76 N 0.35 0.00 -0.31 2.37 1.57 -1.47 -3.28 116.57 115.80 1a9w h LYS 76 Ca 0.08 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 1a9w h LYS 76 Cb 0.19 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.25 1a9w h LYS 76 CO 0.00 0.00 -0.76 0.09 -0.57 0.00 0.00 179.45 178.22 1a9w n ASN 77 N -2.81 2.70 -0.21 0.86 5.03 -0.63 -4.89 115.26 115.31 1a9w n ASN 77 Ca 0.03 -3.37 0.24 0.00 0.87 0.00 0.00 54.58 52.35 1a9w n ASN 77 Cb 0.41 -0.43 0.62 0.00 -1.02 0.00 0.00 39.78 39.36 1a9w n ASN 77 CO 0.00 0.00 0.00 0.24 -1.83 0.00 0.00 177.26 175.67 1a9w h MET 78 N 1.59 0.19 -0.08 3.52 2.86 -1.48 -2.11 114.93 119.42 1a9w h MET 78 Ca 0.08 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1a9w h MET 78 Cb 1.34 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.96 1a9w h MET 78 CO 0.29 0.13 -0.47 -0.44 1.06 0.00 0.00 176.91 177.48 1a9w h ASP 79 N 0.20 0.55 -3.56 1.22 3.32 -1.90 -3.41 116.42 112.84 1a9w h ASP 79 Ca 0.45 -0.66 -0.62 0.00 0.02 0.00 0.00 57.03 56.22 1a9w h ASP 79 Cb 1.46 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.45 1a9w h ASP 79 CO -0.10 1.12 -0.72 0.21 -1.72 0.00 0.00 179.24 178.03 1a9w s ASN 80 N -6.61 4.25 -0.22 6.45 2.47 -0.80 -4.97 114.94 115.51 1a9w s ASN 80 Ca -0.13 -2.18 -0.15 0.00 0.42 0.00 0.00 52.86 50.82 1a9w s ASN 80 Cb 0.05 -1.26 -0.18 0.00 -1.45 0.00 0.00 41.25 38.41 1a9w s ASN 80 CO 0.81 -0.35 0.04 0.18 -3.72 0.00 0.00 177.10 174.06 1a9w n LEU 81 N 4.17 2.10 -0.31 3.21 4.77 -1.17 -4.50 117.00 125.27 1a9w n LEU 81 Ca 0.03 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1a9w n LEU 81 Cb 0.39 -0.94 0.25 0.00 -2.33 0.00 0.00 43.42 40.79 1a9w n LEU 81 CO 0.20 0.51 0.82 0.11 -1.33 0.00 0.00 177.39 177.70 1a9w h LYS 82 N -0.75 0.06 -0.12 3.23 1.57 -1.91 -0.59 116.57 118.05 1a9w h LYS 82 Ca -0.48 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 1a9w h LYS 82 Cb 1.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 1a9w h LYS 82 CO -0.22 0.04 -0.19 -1.35 -0.57 0.00 0.00 179.45 177.17 1a9w h PRO 83 N 0.06 0.20 -0.30 3.15 0.11 -1.96 -3.17 132.00 130.09 1a9w h PRO 83 Ca 0.54 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.43 1a9w h PRO 83 Cb 1.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1a9w h PRO 83 CO -0.82 0.39 -0.45 0.00 -0.21 0.00 0.00 178.00 176.91 1a9w h ALA 84 N 1.62 0.64 -0.47 -0.75 0.00 -1.33 -3.27 119.26 115.69 1a9w h ALA 84 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a9w h ALA 84 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a9w h ALA 84 CO 0.03 0.67 0.00 1.19 0.00 0.00 0.00 179.25 181.14 1a9w n PHE 85 N -4.02 1.47 0.19 0.00 3.72 -1.14 -4.42 117.46 113.26 1a9w n PHE 85 Ca -0.03 -0.53 0.05 0.00 -0.05 0.00 0.00 57.45 56.89 1a9w n PHE 85 Cb 0.57 -0.35 0.38 0.00 -0.94 0.00 0.00 39.48 39.14 1a9w n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9w h ALA 86 N 3.66 1.19 -0.19 4.37 0.00 -1.61 0.52 119.26 127.20 1a9w h ALA 86 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1a9w h ALA 86 Cb 1.50 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1a9w h ALA 86 CO 0.31 0.46 -0.58 1.57 0.00 0.00 0.00 179.25 181.01 1a9w h LYS 87 N 0.00 0.74 0.00 0.00 5.09 -1.86 -2.94 116.57 117.59 1a9w h LYS 87 Ca -0.00 -0.53 -0.18 0.00 0.09 0.00 0.00 60.65 60.02 1a9w h LYS 87 Cb 0.75 0.09 -0.03 0.00 0.10 0.00 0.00 32.23 33.14 1a9w h LYS 87 CO 0.05 1.15 -0.88 -0.07 -2.09 0.00 0.00 179.45 177.62 1a9w h LEU 88 N 0.45 0.00 -0.77 7.07 3.38 -1.84 -2.72 115.31 120.88 1a9w h LEU 88 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1a9w h LEU 88 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1a9w h LEU 88 CO 0.12 0.88 0.36 -1.28 0.09 0.00 0.00 178.44 178.61 1a9w h SER 89 N 0.00 1.03 -0.23 -0.43 0.87 -0.91 -1.10 113.55 112.78 1a9w h SER 89 Ca -0.01 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.21 1a9w h SER 89 Cb 1.56 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1a9w h SER 89 CO 0.11 0.89 -0.60 -0.33 -0.53 0.00 0.00 176.83 176.37 1a9w h GLU 90 N 1.10 0.84 -0.25 2.24 3.07 -1.54 -2.32 114.58 117.72 1a9w h GLU 90 Ca 0.26 -0.56 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 1a9w h GLU 90 Cb 0.15 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1a9w h GLU 90 CO -0.03 1.19 0.09 1.25 -1.40 0.00 0.00 179.01 180.11 1a9w h LEU 91 N 0.63 0.36 -0.60 1.33 5.85 -1.23 -2.75 115.31 118.90 1a9w h LEU 91 Ca -0.00 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1a9w h LEU 91 Cb 1.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1a9w h LEU 91 CO 0.13 0.45 -0.33 0.45 -0.34 0.00 0.00 178.44 178.80 1a9w h HIS 92 N 0.25 0.00 0.00 1.25 3.86 -1.26 -1.03 115.15 118.22 1a9w h HIS 92 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1a9w h HIS 92 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1a9w h HIS 92 CO -0.00 0.33 0.00 0.00 0.86 0.00 0.00 177.93 179.12 1a9w h ASP 94 N 0.00 0.02 0.11 0.00 3.32 -1.71 -2.37 116.42 115.79 1a9w h ASP 94 Ca 0.00 -0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 1a9w h ASP 94 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1a9w h ASP 94 CO 0.00 1.01 -1.63 0.11 -1.72 0.00 0.00 179.24 177.01 1a9w h LYS 95 N 0.00 0.23 0.00 3.56 6.56 -1.49 -3.42 116.57 122.01 1a9w h LYS 95 Ca -0.03 -0.39 -0.29 0.00 -1.06 0.00 0.00 60.65 58.88 1a9w h LYS 95 Cb 1.79 0.14 -0.06 0.00 -0.57 0.00 0.00 32.23 33.54 1a9w h LYS 95 CO 0.13 1.19 -2.19 1.28 -2.06 0.00 0.00 179.45 177.80 1a9w n LEU 96 N -3.82 0.00 -2.86 2.94 4.77 -0.40 -5.02 117.00 112.62 1a9w n LEU 96 Ca -0.29 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 1a9w n LEU 96 Cb 0.94 0.40 0.06 0.00 -2.33 0.00 0.00 43.42 42.49 1a9w n LEU 96 CO 0.39 0.40 0.06 1.41 -1.33 0.00 0.00 177.39 178.32 1a9w n HIS 97 N -2.61 -1.76 -3.69 -1.77 8.25 -0.55 -4.98 115.22 108.10 1a9w n HIS 97 Ca -0.27 0.70 -0.36 0.00 -0.26 0.00 0.00 57.72 57.54 1a9w n HIS 97 Cb 1.03 -4.16 -0.07 0.00 1.12 0.00 0.00 29.99 27.91 1a9w n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a9w s VAL 98 N -3.29 5.38 0.28 1.59 1.01 -0.86 -5.05 120.40 119.47 1a9w s VAL 98 Ca 0.13 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1a9w s VAL 98 Cb -0.02 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1a9w s VAL 98 CO 0.57 0.45 1.21 -0.62 0.00 0.00 0.00 175.10 176.70 1a9w s ASP 99 N 0.16 7.03 0.59 3.32 2.15 -1.26 -4.81 116.67 123.85 1a9w s ASP 99 Ca 0.12 2.44 0.29 0.00 0.43 0.00 0.00 52.55 55.82 1a9w s ASP 99 Cb -0.12 -2.63 1.60 0.00 -0.30 0.00 0.00 42.92 41.47 1a9w s ASP 99 CO 0.01 -0.35 2.02 -0.65 -0.17 0.00 0.00 175.17 176.04 1a9w h PRO 100 N 3.93 0.00 -0.11 4.34 0.11 -1.97 -0.12 132.00 138.18 1a9w h PRO 100 Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1a9w h PRO 100 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1a9w h PRO 100 CO 0.68 0.00 0.08 1.49 -0.21 0.00 0.00 178.00 180.04 1a9w h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 -1.40 114.58 116.82 1a9w h GLU 101 Ca 0.13 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1a9w h GLU 101 Cb 0.73 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1a9w h GLU 101 CO -0.00 0.00 -0.17 -0.91 -1.18 0.00 0.00 179.01 176.75 1a9w h ASN 102 N 0.00 0.00 -0.09 1.04 2.35 -1.38 -3.14 115.58 114.36 1a9w h ASN 102 Ca 0.05 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1a9w h ASN 102 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1a9w h ASN 102 CO -0.00 0.17 -0.37 -0.26 -1.65 0.00 0.00 177.43 175.33 1a9w h PHE 103 N 0.00 0.70 -0.45 1.19 0.04 -1.39 -2.39 116.94 114.64 1a9w h PHE 103 Ca -0.00 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.48 1a9w h PHE 103 Cb 0.95 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1a9w h PHE 103 CO 0.00 0.88 -0.12 0.87 -0.60 0.00 0.00 178.31 179.34 1a9w h LYS 104 N 0.50 0.83 -0.55 1.51 1.57 -1.58 -2.37 116.57 116.48 1a9w h LYS 104 Ca 0.05 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1a9w h LYS 104 Cb 0.86 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1a9w h LYS 104 CO 0.07 0.90 0.20 -0.07 -0.57 0.00 0.00 179.45 179.99 1a9w h LEU 105 N 0.74 0.77 -1.00 2.94 3.38 -1.49 -1.22 115.31 119.44 1a9w h LEU 105 Ca 0.12 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1a9w h LEU 105 Cb 0.62 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1a9w h LEU 105 CO 0.04 0.74 -0.14 0.25 0.09 0.00 0.00 178.44 179.42 1a9w h LEU 106 N 0.75 0.55 -0.43 1.67 5.85 -1.31 -1.55 115.31 120.84 1a9w h LEU 106 Ca 0.18 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1a9w h LEU 106 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1a9w h LEU 106 CO -0.01 0.72 0.15 1.23 -0.34 0.00 0.00 178.44 180.19 1a9w h GLY 107 N 0.96 0.69 0.92 3.75 0.00 -1.02 -0.43 103.07 107.95 1a9w h GLY 107 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1a9w h GLY 107 CO 0.03 0.37 0.13 3.43 0.00 0.00 0.00 176.54 180.50 1a9w h ASN 108 N 0.54 0.37 -0.30 0.19 2.35 -0.92 -1.88 115.58 115.94 1a9w h ASN 108 Ca 0.14 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a9w h ASN 108 Cb 0.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1a9w h ASN 108 CO -0.01 0.41 0.19 0.58 -1.65 0.00 0.00 177.43 176.96 1a9w h VAL 109 N 0.31 1.08 0.15 2.81 2.07 -1.16 -1.60 116.25 119.91 1a9w h VAL 109 Ca 0.09 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1a9w h VAL 109 Cb 0.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1a9w h VAL 109 CO -0.01 0.08 -0.07 -0.03 0.02 0.00 0.00 177.57 177.56 1a9w h MET 110 N 0.42 -0.20 -0.62 1.57 -1.53 -0.43 -1.79 114.93 112.35 1a9w h MET 110 Ca 0.11 0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.41 1a9w h MET 110 Cb -0.03 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.03 1a9w h MET 110 CO -0.02 -0.08 0.41 0.28 0.14 0.00 0.00 176.91 177.63 1a9w h VAL 111 N -0.26 1.09 0.00 -5.77 2.07 -0.65 -1.41 116.25 111.33 1a9w h VAL 111 Ca -0.02 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1a9w h VAL 111 Cb 0.20 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1a9w h VAL 111 CO 0.03 0.14 -0.52 0.40 0.02 0.00 0.00 177.57 177.64 1a9w h ILE 112 N 0.75 1.33 -0.21 4.57 2.04 -0.95 -2.40 117.51 122.64 1a9w h ILE 112 Ca 0.24 -1.80 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1a9w h ILE 112 Cb 0.05 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1a9w h ILE 112 CO -0.06 0.51 -0.09 0.40 0.00 0.00 0.00 178.15 178.91 1a9w h ILE 113 N 0.00 1.30 -0.18 -0.67 1.08 -0.40 -2.71 117.51 115.93 1a9w h ILE 113 Ca -0.01 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 1a9w h ILE 113 Cb 0.94 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 1a9w h ILE 113 CO 0.07 0.34 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.80 1a9w h LEU 114 N 0.13 0.23 -0.66 1.44 3.38 -1.34 -2.15 115.31 116.35 1a9w h LEU 114 Ca 0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1a9w h LEU 114 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1a9w h LEU 114 CO 0.03 0.28 -0.21 0.00 0.09 0.00 0.00 178.44 178.63 1a9w h ALA 115 N 1.75 0.85 0.00 1.53 0.00 -1.21 -1.48 119.26 120.70 1a9w h ALA 115 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1a9w h ALA 115 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a9w h ALA 115 CO 0.00 0.64 -0.64 1.79 0.00 0.00 0.00 179.25 181.04 1a9w h THR 116 N 0.72 1.45 0.22 0.00 1.35 -1.10 -1.30 112.91 114.25 1a9w h THR 116 Ca 0.10 -2.20 -0.31 0.00 -0.55 0.00 0.00 66.41 63.45 1a9w h THR 116 Cb 0.74 2.19 0.04 0.00 -1.73 0.00 0.00 68.15 69.38 1a9w h THR 116 CO 0.06 0.63 -1.34 0.45 -0.25 0.00 0.00 175.52 175.06 1a9w h HIS 117 N 0.00 0.92 0.00 4.73 -0.00 -1.30 -3.38 115.15 116.12 1a9w h HIS 117 Ca -0.01 -0.66 0.00 0.00 -0.00 0.00 0.00 60.37 59.70 1a9w h HIS 117 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 1a9w h HIS 117 CO 0.00 1.51 -1.00 1.19 -0.00 0.00 0.00 177.93 179.63 1a9w n PHE 118 N -3.80 0.00 0.00 2.45 3.72 -0.57 -5.05 117.46 114.21 1a9w n PHE 118 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1a9w n PHE 118 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1a9w n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9w n GLY 119 N 1.50 3.04 0.36 1.37 0.00 -0.49 -1.28 105.19 109.69 1a9w n GLY 119 Ca 0.04 0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.25 1a9w n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a9w h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -1.08 116.57 117.23 1a9w h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1a9w h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1a9w h LYS 120 CO 0.00 0.00 -0.16 1.05 -2.00 0.00 0.00 179.45 178.34 1a9w h GLU 121 N 0.00 0.00 -3.94 0.07 4.11 -1.59 -3.32 114.58 109.91 1a9w h GLU 121 Ca 0.15 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.86 1a9w h GLU 121 Cb 0.81 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1a9w h GLU 121 CO -0.00 0.16 2.66 0.34 0.07 0.00 0.00 179.01 182.24 1a9w n PHE 122 N -3.56 3.42 -1.13 2.06 7.35 -0.41 -4.95 117.46 120.25 1a9w n PHE 122 Ca -0.01 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1a9w n PHE 122 Cb 0.31 -2.34 0.15 0.00 0.35 0.00 0.00 39.48 37.94 1a9w n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a9w s THR 123 N 2.23 2.56 0.45 -2.13 -4.23 -1.25 -4.74 115.64 108.53 1a9w s THR 123 Ca 0.45 0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.26 1a9w s THR 123 Cb 0.12 -2.61 0.29 0.00 1.34 0.00 0.00 72.50 71.64 1a9w s THR 123 CO -0.05 -0.24 2.05 -0.65 -0.54 0.00 0.00 174.62 175.20 1a9w h PRO 124 N -1.65 0.35 -0.37 3.99 0.11 -1.93 0.62 132.00 133.11 1a9w h PRO 124 Ca -0.50 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 1a9w h PRO 124 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1a9w h PRO 124 CO 0.54 0.23 -0.32 0.93 -0.21 0.00 0.00 178.00 179.16 1a9w h GLU 125 N 0.36 0.88 -0.35 1.05 3.07 -1.99 -1.72 114.58 115.89 1a9w h GLU 125 Ca 0.17 -0.45 -0.14 0.00 -0.50 0.00 0.00 59.36 58.44 1a9w h GLU 125 Cb 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1a9w h GLU 125 CO -0.04 1.09 -0.31 0.28 -1.40 0.00 0.00 179.01 178.64 1a9w h VAL 126 N 0.69 1.28 -0.66 3.13 2.07 -1.69 -3.12 116.25 117.94 1a9w h VAL 126 Ca 0.07 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1a9w h VAL 126 Cb 0.91 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1a9w h VAL 126 CO 0.08 0.49 0.35 -0.61 0.02 0.00 0.00 177.57 177.90 1a9w h GLN 127 N 0.62 0.93 -1.01 1.57 4.15 -0.84 -2.39 115.11 118.14 1a9w h GLN 127 Ca 0.06 -0.11 0.09 0.00 0.77 0.00 0.00 58.65 59.45 1a9w h GLN 127 Cb 0.89 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 28.33 1a9w h GLN 127 CO 0.08 0.71 0.64 0.00 -1.93 0.00 0.00 178.83 178.33 1a9w h ALA 128 N 1.17 1.44 -0.04 3.38 0.00 -1.30 0.02 119.26 123.94 1a9w h ALA 128 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a9w h ALA 128 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1a9w h ALA 128 CO -0.04 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.59 1a9w h ALA 129 N 1.49 0.05 -0.22 0.00 0.00 -1.39 -2.66 119.26 116.53 1a9w h ALA 129 Ca 0.46 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1a9w h ALA 129 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a9w h ALA 129 CO -0.21 -0.34 -0.10 -1.49 0.00 0.00 0.00 179.25 177.11 1a9w h TRP 130 N -0.15 0.36 -0.39 0.00 4.06 -0.97 -2.09 115.95 116.77 1a9w h TRP 130 Ca 0.01 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 1a9w h TRP 130 Cb 0.22 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 1a9w h TRP 130 CO -0.00 0.45 0.07 1.96 -3.56 0.00 0.00 178.44 177.36 1a9w h GLN 131 N 0.33 0.64 -0.92 0.49 1.08 -0.94 -0.53 115.11 115.27 1a9w h GLN 131 Ca 0.07 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1a9w h GLN 131 Cb 0.39 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1a9w h GLN 131 CO 0.02 0.69 0.58 -0.22 -0.95 0.00 0.00 178.83 178.96 1a9w h LYS 132 N 0.49 1.23 0.05 1.46 3.64 -1.10 -0.51 116.57 121.84 1a9w h LYS 132 Ca 0.12 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a9w h LYS 132 Cb 0.36 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1a9w h LYS 132 CO 0.01 0.84 -0.03 1.25 -2.27 0.00 0.00 179.45 179.25 1a9w h LEU 133 N 1.26 -0.06 -1.17 5.20 5.85 -1.18 -2.63 115.31 122.57 1a9w h LEU 133 Ca 0.33 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1a9w h LEU 133 Cb -0.10 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1a9w h LEU 133 CO -0.07 0.29 0.59 0.58 -0.34 0.00 0.00 178.44 179.49 1a9w h VAL 134 N -0.42 0.97 -0.33 1.05 2.07 -0.86 -1.57 116.25 117.16 1a9w h VAL 134 Ca -0.01 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1a9w h VAL 134 Cb 0.37 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1a9w h VAL 134 CO 0.01 0.17 -0.31 0.28 0.02 0.00 0.00 177.57 177.74 1a9w h SER 135 N 0.91 0.73 -0.36 0.57 0.02 -1.05 -2.42 113.55 111.95 1a9w h SER 135 Ca 0.42 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1a9w h SER 135 Cb 0.41 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1a9w h SER 135 CO -0.19 0.99 -0.09 0.00 -1.14 0.00 0.00 176.83 176.41 1a9w h ALA 136 N 1.05 0.50 -0.74 3.77 0.00 -0.93 -2.56 119.26 120.34 1a9w h ALA 136 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1a9w h ALA 136 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1a9w h ALA 136 CO 0.07 0.35 0.27 0.28 0.00 0.00 0.00 179.25 180.22 1a9w h VAL 137 N 0.49 1.26 -0.63 0.00 2.07 -1.30 -1.63 116.25 116.51 1a9w h VAL 137 Ca 0.09 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1a9w h VAL 137 Cb 0.60 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1a9w h VAL 137 CO 0.04 0.34 0.35 0.00 0.02 0.00 0.00 177.57 178.32 1a9w h ALA 138 N 1.13 0.81 -0.00 1.67 0.00 -1.37 -2.39 119.26 119.12 1a9w h ALA 138 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a9w h ALA 138 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a9w h ALA 138 CO -0.01 0.33 -0.05 0.44 0.00 0.00 0.00 179.25 179.95 1a9w n ILE 139 N -4.55 0.00 0.12 0.00 -5.35 -0.97 -3.01 119.36 105.60 1a9w n ILE 139 Ca 0.05 -0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.32 1a9w n ILE 139 Cb 0.09 -0.43 -0.14 0.00 -1.74 0.00 0.00 39.64 37.42 1a9w n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a9w h ALA 140 N 3.01 -0.01 0.00 -1.28 0.00 -0.80 -3.23 119.26 116.95 1a9w h ALA 140 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1a9w h ALA 140 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a9w h ALA 140 CO 0.00 0.81 0.00 -0.07 0.00 0.00 0.00 179.25 179.99 1a9w h LEU 141 N 0.14 0.00 -3.09 0.00 3.38 -1.43 -3.20 115.31 111.11 1a9w h LEU 141 Ca -0.19 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 1a9w h LEU 141 Cb 2.02 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.65 1a9w h LEU 141 CO 0.24 0.00 0.26 0.00 0.09 0.00 0.00 178.44 179.03 1a9w n ALA 142 N -1.96 4.12 -0.08 1.53 0.00 -1.16 -4.36 120.51 118.59 1a9w n ALA 142 Ca 0.03 -1.67 -0.11 0.00 0.00 0.00 0.00 53.44 51.68 1a9w n ALA 142 Cb 0.39 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1a9w n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a9w h HIS 143 N 1.49 0.45 -0.69 0.00 2.07 -1.70 -2.92 115.15 113.86 1a9w h HIS 143 Ca 0.25 -0.08 -0.07 0.00 -2.85 0.00 0.00 60.37 57.62 1a9w h HIS 143 Cb 1.95 -0.12 -0.03 0.00 2.57 0.00 0.00 27.41 31.78 1a9w h HIS 143 CO 0.94 0.60 0.15 0.87 -3.07 0.00 0.00 177.93 177.42 1a9w h LYS 144 N 0.18 1.10 -0.02 5.12 1.79 -1.84 -3.53 116.57 119.38 1a9w h LYS 144 Ca 0.06 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1a9w h LYS 144 Cb 0.42 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1a9w h LYS 144 CO 0.01 0.98 0.00 2.48 -1.08 0.00 0.00 179.45 181.84