#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0w s HIS 2 N 0.00 4.02 -0.29 2.03 5.04 -1.26 -5.01 115.29 119.82 1y0w s HIS 2 Ca 0.00 -2.36 -0.15 0.00 -1.54 0.00 0.00 55.06 51.00 1y0w s HIS 2 Cb 0.00 -3.85 -0.03 0.00 0.04 0.00 0.00 32.58 28.74 1y0w s HIS 2 CO 0.00 -0.99 0.39 -0.51 -2.34 0.00 0.00 174.74 171.30 1y0w s LEU 3 N -0.53 4.13 0.77 8.88 1.02 -1.26 -5.07 118.68 126.63 1y0w s LEU 3 Ca 0.26 0.19 -0.11 0.00 0.02 0.00 0.00 54.13 54.49 1y0w s LEU 3 Cb -0.10 -2.44 0.06 0.00 0.02 0.00 0.00 46.19 43.73 1y0w s LEU 3 CO -0.08 -0.24 1.09 0.42 0.02 0.00 0.00 176.35 177.55 1y0w s THR 4 N 2.11 3.38 0.23 5.49 -4.23 -1.26 -4.81 115.64 116.55 1y0w s THR 4 Ca 0.15 0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1y0w s THR 4 Cb -0.16 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.87 1y0w s THR 4 CO 0.11 -0.59 1.79 -0.65 -0.54 0.00 0.00 174.62 174.74 1y0w h PRO 5 N -1.10 0.66 0.00 3.99 0.11 -1.99 -0.58 132.00 133.09 1y0w h PRO 5 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1y0w h PRO 5 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1y0w h PRO 5 CO 0.53 0.44 -0.41 0.93 -0.21 0.00 0.00 178.00 179.28 1y0w h GLU 6 N 0.68 0.00 -0.41 1.05 4.39 -2.00 -1.76 114.58 116.53 1y0w h GLU 6 Ca 0.35 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 1y0w h GLU 6 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1y0w h GLU 6 CO -0.24 0.41 -0.06 0.93 -1.16 0.00 0.00 179.01 178.88 1y0w h GLU 7 N 0.00 0.77 -0.10 2.33 5.08 -1.53 -2.31 114.58 118.81 1y0w h GLU 7 Ca -0.00 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1y0w h GLU 7 Cb 0.78 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1y0w h GLU 7 CO 0.05 0.88 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.51 1y0w h LYS 8 N 0.59 0.17 0.07 2.33 3.64 -0.76 -0.57 116.57 122.04 1y0w h LYS 8 Ca 0.11 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 1y0w h LYS 8 Cb 0.57 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1y0w h LYS 8 CO 0.03 0.38 -1.11 0.66 -2.27 0.00 0.00 179.45 177.14 1y0w h SER 9 N 0.16 0.65 -0.37 4.20 4.64 -1.22 -2.25 113.55 119.36 1y0w h SER 9 Ca 0.03 -0.58 0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1y0w h SER 9 Cb 0.47 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1y0w h SER 9 CO 0.03 1.40 0.20 0.00 -0.87 0.00 0.00 176.83 177.59 1y0w h ALA 10 N 0.54 0.46 -0.10 5.18 0.00 -1.05 0.34 119.26 124.63 1y0w h ALA 10 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y0w h ALA 10 Cb 1.78 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1y0w h ALA 10 CO 0.20 -0.15 0.04 0.28 0.00 0.00 0.00 179.25 179.62 1y0w h VAL 11 N 0.41 1.13 -0.43 0.00 2.07 -1.06 -2.39 116.25 115.98 1y0w h VAL 11 Ca 0.15 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1y0w h VAL 11 Cb 0.03 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1y0w h VAL 11 CO -0.09 0.12 0.12 0.74 0.02 0.00 0.00 177.57 178.48 1y0w h THR 12 N 0.01 1.23 -0.05 2.57 2.02 -1.30 -1.39 112.91 115.99 1y0w h THR 12 Ca 0.03 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.48 1y0w h THR 12 Cb 0.15 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1y0w h THR 12 CO -0.00 0.27 -0.35 0.00 0.37 0.00 0.00 175.52 175.81 1y0w h ALA 13 N 0.97 -0.50 -0.46 6.16 0.00 -0.24 -1.72 119.26 123.49 1y0w h ALA 13 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1y0w h ALA 13 Cb 0.29 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1y0w h ALA 13 CO -0.00 -0.86 0.22 1.25 0.00 0.00 0.00 179.25 179.86 1y0w h LEU 14 N -0.48 0.60 -2.00 0.00 5.85 -1.39 -2.74 115.31 115.15 1y0w h LEU 14 Ca 0.07 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1y0w h LEU 14 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1y0w h LEU 14 CO -0.32 0.55 0.12 -0.25 -0.34 0.00 0.00 178.44 178.20 1y0w h TRP 15 N 0.60 0.00 -0.07 1.25 2.91 -0.87 0.16 115.95 119.93 1y0w h TRP 15 Ca 0.16 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.20 1y0w h TRP 15 Cb 0.11 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1y0w h TRP 15 CO -0.01 0.00 0.08 0.78 -1.03 0.00 0.00 178.44 178.26 1y0w h GLY 16 N 0.00 0.00 -0.53 2.65 0.00 -0.99 -1.68 103.07 102.52 1y0w h GLY 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1y0w h GLY 16 CO -0.00 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.49 1y0w n LYS 17 N -3.84 1.16 -2.72 4.80 5.02 0.04 -4.96 118.16 117.66 1y0w n LYS 17 Ca -0.01 -0.85 -0.40 0.00 -2.02 0.00 0.00 58.31 55.02 1y0w n LYS 17 Cb 0.18 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1y0w n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y0w s VAL 18 N -2.43 4.08 -0.59 -0.18 1.01 -0.64 -5.00 120.40 116.66 1y0w s VAL 18 Ca 0.23 2.03 -0.20 0.00 0.00 0.00 0.00 61.98 64.04 1y0w s VAL 18 Cb 0.19 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.36 1y0w s VAL 18 CO 0.52 0.46 0.74 0.21 0.00 0.00 0.00 175.10 177.03 1y0w s ASN 19 N -0.97 6.19 0.35 3.32 3.84 -1.26 -4.93 114.94 121.48 1y0w s ASN 19 Ca 0.42 -1.23 0.08 0.00 0.21 0.00 0.00 52.86 52.33 1y0w s ASN 19 Cb -0.26 -2.32 0.66 0.00 -0.55 0.00 0.00 41.25 38.77 1y0w s ASN 19 CO 0.32 -1.14 1.85 -0.37 -2.79 0.00 0.00 177.10 174.98 1y0w h VAL 20 N 5.93 1.22 0.06 -5.21 -1.51 -1.95 -0.79 116.25 114.00 1y0w h VAL 20 Ca -0.29 -0.98 0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1y0w h VAL 20 Cb 1.09 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1y0w h VAL 20 CO 1.09 0.31 -0.14 0.44 -1.23 0.00 0.00 177.57 178.04 1y0w h ASP 21 N 0.28 -0.38 -0.24 4.19 5.19 -1.91 0.13 116.42 123.67 1y0w h ASP 21 Ca 0.05 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1y0w h ASP 21 Cb 0.49 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1y0w h ASP 21 CO 0.03 -0.20 -0.16 -0.08 -3.12 0.00 0.00 179.24 175.71 1y0w h GLU 22 N -0.26 0.54 -0.18 3.56 4.81 -1.86 -2.87 114.58 118.31 1y0w h GLU 22 Ca 0.03 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1y0w h GLU 22 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1y0w h GLU 22 CO -0.09 0.83 -0.39 0.28 -0.73 0.00 0.00 179.01 178.91 1y0w h VAL 23 N 0.25 1.30 -0.03 0.32 2.07 -1.10 -2.32 116.25 116.73 1y0w h VAL 23 Ca 0.05 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1y0w h VAL 23 Cb 0.69 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1y0w h VAL 23 CO 0.04 0.46 0.02 1.23 0.02 0.00 0.00 177.57 179.35 1y0w h GLY 24 N 1.13 0.05 1.01 2.17 0.00 -0.72 -0.93 103.07 105.78 1y0w h GLY 24 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1y0w h GLY 24 CO 0.07 0.02 0.47 -1.33 0.00 0.00 0.00 176.54 175.76 1y0w h GLY 25 N 0.04 1.05 0.95 4.60 0.00 -1.44 -2.36 103.07 105.91 1y0w h GLY 25 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1y0w h GLY 25 CO -0.00 0.40 0.16 0.83 0.00 0.00 0.00 176.54 177.93 1y0w h GLU 26 N 1.00 0.66 -0.15 4.80 4.39 -1.25 -1.06 114.58 122.98 1y0w h GLU 26 Ca 0.27 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1y0w h GLU 26 Cb -0.08 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1y0w h GLU 26 CO -0.05 0.62 -0.13 0.00 -1.16 0.00 0.00 179.01 178.29 1y0w h ALA 27 N 1.01 0.21 -0.35 3.43 0.00 -1.13 -0.17 119.26 122.26 1y0w h ALA 27 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1y0w h ALA 27 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1y0w h ALA 27 CO -0.01 0.08 0.14 1.25 0.00 0.00 0.00 179.25 180.71 1y0w h LEU 28 N -0.02 0.49 -0.08 0.00 5.85 -1.47 -0.93 115.31 119.15 1y0w h LEU 28 Ca 0.03 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1y0w h LEU 28 Cb 0.64 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1y0w h LEU 28 CO 0.03 0.52 -0.07 1.23 -0.34 0.00 0.00 178.44 179.81 1y0w h GLY 29 N 0.43 0.01 1.69 3.75 0.00 -1.14 -2.31 103.07 105.49 1y0w h GLY 29 Ca 0.12 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 1y0w h GLY 29 CO -0.01 -0.08 -0.06 3.21 0.00 0.00 0.00 176.54 179.60 1y0w h ARG 30 N -0.08 0.39 -0.54 4.80 3.08 -0.96 -1.66 114.38 119.41 1y0w h ARG 30 Ca 0.06 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1y0w h ARG 30 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1y0w h ARG 30 CO -0.13 0.47 0.32 1.25 -1.07 0.00 0.00 179.97 180.80 1y0w h LEU 31 N 0.38 0.50 -0.86 3.04 5.85 -0.63 -0.42 115.31 123.17 1y0w h LEU 31 Ca 0.08 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1y0w h LEU 31 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1y0w h LEU 31 CO 0.02 0.35 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.84 1y0w h LEU 32 N 0.63 0.03 0.04 2.25 3.38 -1.01 -1.82 115.31 118.81 1y0w h LEU 32 Ca 0.22 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1y0w h LEU 32 Cb 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y0w h LEU 32 CO -0.11 0.58 -0.27 0.58 0.09 0.00 0.00 178.44 179.31 1y0w h VAL 33 N 0.02 1.69 -0.10 1.22 2.07 -1.14 -3.26 116.25 116.75 1y0w h VAL 33 Ca -0.00 -2.36 -0.16 0.00 0.82 0.00 0.00 66.70 65.00 1y0w h VAL 33 Cb 0.99 3.28 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 1y0w h VAL 33 CO 0.07 0.63 -0.61 0.58 0.02 0.00 0.00 177.57 178.27 1y0w h VAL 34 N -0.76 1.37 -2.17 2.57 2.07 -1.13 -3.36 116.25 114.83 1y0w h VAL 34 Ca -0.05 -1.95 -0.58 0.00 0.82 0.00 0.00 66.70 64.94 1y0w h VAL 34 Cb 1.19 1.95 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 1y0w h VAL 34 CO 0.05 0.59 -0.73 -1.22 0.02 0.00 0.00 177.57 176.27 1y0w n TYR 35 N -3.89 2.86 0.03 1.57 4.01 -0.69 -4.97 117.16 116.09 1y0w n TYR 35 Ca -0.03 -4.00 0.22 0.00 -0.16 0.00 0.00 57.90 53.93 1y0w n TYR 35 Cb 0.63 -0.50 0.66 0.00 -0.31 0.00 0.00 39.34 39.82 1y0w n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y0w h PRO 36 N 3.74 0.00 0.00 -0.72 0.11 -1.71 -0.04 132.00 133.38 1y0w h PRO 36 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1y0w h PRO 36 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1y0w h PRO 36 CO 0.75 0.00 -0.08 0.11 -0.21 0.00 0.00 178.00 178.57 1y0w h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.53 115.95 113.24 1y0w h TRP 37 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.24 1y0w h TRP 37 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.78 1y0w h TRP 37 CO 0.00 0.08 0.00 0.25 0.09 0.00 0.00 178.44 178.86 1y0w n THR 38 N -3.42 1.19 0.47 0.12 -2.24 -0.03 -2.54 114.28 107.84 1y0w n THR 38 Ca -0.01 0.30 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1y0w n THR 38 Cb 0.24 -1.13 0.34 0.00 -2.10 0.00 0.00 70.33 67.68 1y0w n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y0w n GLN 39 N -1.45 0.04 0.29 -0.78 6.02 -0.58 -3.40 117.38 117.52 1y0w n GLN 39 Ca 0.03 0.29 0.19 0.00 -0.01 0.00 0.00 57.00 57.49 1y0w n GLN 39 Cb 0.11 -1.58 0.96 0.00 1.02 0.00 0.00 30.24 30.76 1y0w n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y0w h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.73 -0.85 114.38 110.82 1y0w h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y0w h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1y0w h ARG 40 CO 0.00 0.00 -0.36 1.19 0.10 0.00 0.00 179.97 180.90 1y0w n PHE 41 N -3.34 0.00 -2.10 4.08 3.72 -1.22 -4.46 117.46 114.15 1y0w n PHE 41 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 1y0w n PHE 41 Cb 0.24 -0.13 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1y0w n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1y0w n PHE 42 N -0.78 1.58 0.23 1.38 3.72 -0.32 -4.82 117.46 118.45 1y0w n PHE 42 Ca 0.10 -1.88 0.09 0.00 -0.05 0.00 0.00 57.45 55.71 1y0w n PHE 42 Cb 0.36 -0.28 0.55 0.00 -0.94 0.00 0.00 39.48 39.17 1y0w n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1y0w h GLU 43 N 1.86 0.00 0.00 -1.08 4.11 -1.78 -0.94 114.58 116.75 1y0w h GLU 43 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1y0w h GLU 43 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1y0w h GLU 43 CO 0.42 0.22 0.00 -1.13 0.07 0.00 0.00 179.01 178.59 1y0w n SER 44 N -3.68 0.00 -0.12 3.06 3.41 -1.26 -3.45 113.62 111.57 1y0w n SER 44 Ca -0.01 -0.60 0.14 0.00 -0.26 0.00 0.00 58.87 58.14 1y0w n SER 44 Cb 0.34 -0.06 0.61 0.00 -0.26 0.00 0.00 64.21 64.85 1y0w n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y0w n PHE 45 N -1.06 0.00 -2.31 7.33 3.01 -0.36 -5.03 117.46 119.04 1y0w n PHE 45 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1y0w n PHE 45 Cb 0.10 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1y0w n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y0w n GLY 46 N 1.27 0.55 3.64 1.37 0.00 -1.22 -4.84 105.19 105.96 1y0w n GLY 46 Ca 0.15 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1y0w n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y0w s ASP 47 N -4.00 6.54 -0.07 1.61 2.15 -1.26 -4.86 116.67 116.78 1y0w s ASP 47 Ca 0.00 1.71 0.12 0.00 0.43 0.00 0.00 52.55 54.80 1y0w s ASP 47 Cb 0.00 -2.53 0.21 0.00 -0.30 0.00 0.00 42.92 40.30 1y0w s ASP 47 CO 0.00 -1.11 1.10 0.18 -0.17 0.00 0.00 175.17 175.17 1y0w n LEU 48 N 7.87 1.27 0.20 -1.34 4.77 -1.26 -4.36 117.00 124.15 1y0w n LEU 48 Ca 0.17 -2.21 0.09 0.00 -0.03 0.00 0.00 56.01 54.04 1y0w n LEU 48 Cb 0.45 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.58 1y0w n LEU 48 CO 0.63 0.59 0.72 0.77 -1.33 0.00 0.00 177.39 178.76 1y0w h SER 49 N 0.28 0.00 -4.43 -1.43 4.64 -1.91 -3.43 113.55 107.27 1y0w h SER 49 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1y0w h SER 49 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1y0w h SER 49 CO 0.02 0.22 -0.67 0.42 -0.87 0.00 0.00 176.83 175.95 1y0w s THR 50 N -3.29 0.74 0.21 2.95 -4.23 -1.26 -5.02 115.64 105.74 1y0w s THR 50 Ca 0.04 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 1y0w s THR 50 Cb 0.08 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.97 1y0w s THR 50 CO 0.67 -0.51 1.74 -0.65 -0.54 0.00 0.00 174.62 175.34 1y0w h PRO 51 N 2.70 0.38 -0.16 3.99 0.11 -1.99 -0.90 132.00 136.13 1y0w h PRO 51 Ca -0.37 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1y0w h PRO 51 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1y0w h PRO 51 CO 0.63 0.25 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.87 1y0w h ASP 52 N 0.39 0.35 -0.80 -2.05 3.32 -1.98 0.13 116.42 115.79 1y0w h ASP 52 Ca 0.30 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1y0w h ASP 52 Cb 0.38 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1y0w h ASP 52 CO -0.31 0.69 0.33 0.00 -1.72 0.00 0.00 179.24 178.24 1y0w h ALA 53 N 1.33 1.04 -0.02 3.45 0.00 -1.69 -2.26 119.26 121.12 1y0w h ALA 53 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1y0w h ALA 53 Cb 0.78 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1y0w h ALA 53 CO 0.06 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.16 1y0w h VAL 54 N 1.16 1.51 -0.04 0.00 2.07 -0.81 -2.73 116.25 117.41 1y0w h VAL 54 Ca 0.27 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1y0w h VAL 54 Cb 0.20 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1y0w h VAL 54 CO -0.02 0.43 -0.32 0.24 0.02 0.00 0.00 177.57 177.92 1y0w h MET 55 N -0.54 0.07 -0.02 1.57 2.07 -0.71 -2.74 114.93 114.62 1y0w h MET 55 Ca -0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1y0w h MET 55 Cb 0.75 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.47 1y0w h MET 55 CO 0.02 0.39 -0.20 0.41 1.07 0.00 0.00 176.91 178.59 1y0w n GLY 56 N -0.54 0.56 3.66 8.32 0.00 -0.85 -4.83 105.19 111.50 1y0w n GLY 56 Ca -0.02 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1y0w n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y0w s ASN 57 N -2.17 6.46 0.45 1.61 3.84 -1.03 -4.88 114.94 119.23 1y0w s ASN 57 Ca 0.23 2.65 0.14 0.00 0.21 0.00 0.00 52.86 56.09 1y0w s ASN 57 Cb 0.19 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.38 1y0w s ASN 57 CO 0.41 -1.05 2.01 1.55 -2.79 0.00 0.00 177.10 177.24 1y0w h PRO 58 N 10.46 0.04 -0.13 0.43 0.13 -1.91 -1.32 132.00 139.71 1y0w h PRO 58 Ca -0.49 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1y0w h PRO 58 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1y0w h PRO 58 CO 0.94 0.17 -0.57 0.87 -0.23 0.00 0.00 178.00 179.18 1y0w h LYS 59 N 0.04 0.40 -0.30 0.86 1.57 -1.89 -1.92 116.57 115.34 1y0w h LYS 59 Ca 0.01 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 1y0w h LYS 59 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1y0w h LYS 59 CO 0.02 0.86 -0.15 0.28 -0.57 0.00 0.00 179.45 179.89 1y0w h VAL 60 N 0.31 1.29 -0.61 0.50 2.07 -1.66 -0.75 116.25 117.40 1y0w h VAL 60 Ca 0.00 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1y0w h VAL 60 Cb 1.09 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1y0w h VAL 60 CO 0.10 0.40 0.08 0.11 0.02 0.00 0.00 177.57 178.28 1y0w h LYS 61 N 0.38 1.03 -0.46 1.57 1.57 -1.26 0.08 116.57 119.48 1y0w h LYS 61 Ca 0.07 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 1y0w h LYS 61 Cb 0.67 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1y0w h LYS 61 CO 0.04 0.97 -0.23 0.00 -0.57 0.00 0.00 179.45 179.66 1y0w h ALA 62 N 1.01 0.71 -0.56 3.86 0.00 -1.30 -2.09 119.26 120.88 1y0w h ALA 62 Ca 0.18 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1y0w h ALA 62 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1y0w h ALA 62 CO 0.02 0.67 -0.08 1.25 0.00 0.00 0.00 179.25 181.11 1y0w h HIS 63 N 0.82 1.16 -0.76 0.00 -0.00 -0.87 -2.55 115.15 112.95 1y0w h HIS 63 Ca 0.10 -0.23 0.04 0.00 -0.00 0.00 0.00 60.37 60.29 1y0w h HIS 63 Cb 0.81 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.88 1y0w h HIS 63 CO 0.05 1.05 0.47 0.78 -0.00 0.00 0.00 177.93 180.29 1y0w h GLY 64 N 0.95 1.11 1.04 5.26 0.00 -0.79 -0.47 103.07 110.18 1y0w h GLY 64 Ca 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1y0w h GLY 64 CO 0.04 0.27 0.59 1.70 0.00 0.00 0.00 176.54 179.14 1y0w h LYS 65 N 0.90 1.28 -0.23 4.80 3.64 -1.26 -0.80 116.57 124.91 1y0w h LYS 65 Ca 0.32 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1y0w h LYS 65 Cb 0.07 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1y0w h LYS 65 CO -0.13 0.88 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.61 1y0w h LYS 66 N 1.30 0.46 -0.56 1.90 3.64 -0.91 -0.21 116.57 122.19 1y0w h LYS 66 Ca 0.34 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1y0w h LYS 66 Cb -0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1y0w h LYS 66 CO -0.07 0.73 0.36 0.28 -2.27 0.00 0.00 179.45 178.48 1y0w h VAL 67 N 0.18 1.16 0.00 2.00 2.07 -0.89 -2.26 116.25 118.51 1y0w h VAL 67 Ca 0.05 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1y0w h VAL 67 Cb 0.58 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1y0w h VAL 67 CO 0.03 0.16 -0.70 -0.07 0.02 0.00 0.00 177.57 177.00 1y0w h LEU 68 N 0.76 0.00 -0.34 2.57 3.38 -1.11 -1.72 115.31 118.86 1y0w h LEU 68 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1y0w h LEU 68 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1y0w h LEU 68 CO -0.04 0.70 0.19 1.23 0.09 0.00 0.00 178.44 180.61 1y0w h GLY 69 N 2.76 0.50 1.82 0.83 0.00 -0.77 -0.12 103.07 108.09 1y0w h GLY 69 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1y0w h GLY 69 CO 0.09 0.22 -0.23 0.00 0.00 0.00 0.00 176.54 176.62 1y0w h ALA 70 N 1.06 1.39 -0.22 3.60 0.00 -1.27 -2.23 119.26 121.59 1y0w h ALA 70 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1y0w h ALA 70 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1y0w h ALA 70 CO -0.02 0.43 -0.04 0.35 0.00 0.00 0.00 179.25 179.97 1y0w h PHE 71 N 0.20 0.46 -0.39 0.00 3.04 -0.75 -2.47 116.94 117.03 1y0w h PHE 71 Ca 0.03 -0.09 0.07 0.00 3.98 0.00 0.00 57.97 61.97 1y0w h PHE 71 Cb 0.52 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.85 1y0w h PHE 71 CO 0.01 0.63 -0.04 0.77 -2.02 0.00 0.00 178.31 177.66 1y0w h SER 72 N 0.15 -0.23 -0.75 0.41 0.02 -0.88 -0.46 113.55 111.80 1y0w h SER 72 Ca 0.06 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1y0w h SER 72 Cb 0.47 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1y0w h SER 72 CO 0.02 -0.08 0.49 0.44 -1.14 0.00 0.00 176.83 176.57 1y0w h ASP 73 N 0.06 0.65 0.17 3.07 5.19 -1.33 0.22 116.42 124.46 1y0w h ASP 73 Ca 0.19 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1y0w h ASP 73 Cb 0.28 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1y0w h ASP 73 CO -0.35 0.40 -0.18 1.23 -3.12 0.00 0.00 179.24 177.22 1y0w h GLY 74 N 0.73 0.04 2.00 2.75 0.00 -0.62 -2.35 103.07 105.62 1y0w h GLY 74 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1y0w h GLY 74 CO -0.12 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.48 1y0w n LEU 75 N -4.31 0.07 -0.16 3.11 4.77 0.78 -1.11 117.00 120.15 1y0w n LEU 75 Ca -0.02 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1y0w n LEU 75 Cb 0.26 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.16 1y0w n LEU 75 CO 0.37 -0.25 0.57 0.00 -1.33 0.00 0.00 177.39 176.74 1y0w n ALA 76 N -1.53 3.27 -2.59 -1.18 0.00 -0.88 -4.33 120.51 113.26 1y0w n ALA 76 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1y0w n ALA 76 Cb 0.19 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.55 1y0w n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0w n HIS 77 N -0.94 1.81 0.33 0.00 8.25 -0.27 -4.92 115.22 119.48 1y0w n HIS 77 Ca 0.10 -2.57 0.21 0.00 -0.26 0.00 0.00 57.72 55.19 1y0w n HIS 77 Cb 0.34 -0.28 1.12 0.00 1.12 0.00 0.00 29.99 32.30 1y0w n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y0w h LEU 78 N 2.69 0.00 -0.03 2.41 3.38 -1.74 0.05 115.31 122.08 1y0w h LEU 78 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y0w h LEU 78 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1y0w h LEU 78 CO 0.50 0.00 -0.23 0.47 0.09 0.00 0.00 178.44 179.28 1y0w n ASP 79 N -3.22 0.27 -3.04 -0.43 9.92 -1.26 -4.37 116.55 114.42 1y0w n ASP 79 Ca -0.03 0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 54.13 1y0w n ASP 79 Cb 0.11 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1y0w n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1y0w n ASN 80 N -1.43 0.09 -0.10 -2.24 5.15 -0.00 -4.95 115.26 111.78 1y0w n ASN 80 Ca 0.07 -3.13 -0.11 0.00 -0.60 0.00 0.00 54.58 50.81 1y0w n ASN 80 Cb 0.33 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 1y0w n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y0w h LEU 81 N 2.98 0.50 -0.17 1.20 3.38 -1.74 -1.57 115.31 119.88 1y0w h LEU 81 Ca 0.03 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1y0w h LEU 81 Cb 1.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1y0w h LEU 81 CO 0.40 0.65 -0.15 0.11 0.09 0.00 0.00 178.44 179.55 1y0w h LYS 82 N 0.32 -0.15 -0.50 1.13 1.57 -1.91 -1.71 116.57 115.32 1y0w h LYS 82 Ca 0.09 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1y0w h LYS 82 Cb 0.38 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1y0w h LYS 82 CO 0.01 -0.10 0.29 0.78 -0.57 0.00 0.00 179.45 179.85 1y0w h GLY 83 N -0.16 0.74 0.92 3.86 0.00 -1.94 -2.09 103.07 104.41 1y0w h GLY 83 Ca 0.11 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1y0w h GLY 83 CO -0.27 0.31 0.59 -0.84 0.00 0.00 0.00 176.54 176.34 1y0w h THR 84 N 0.67 1.11 -0.58 4.70 2.02 -0.92 -2.87 112.91 117.04 1y0w h THR 84 Ca 0.18 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1y0w h THR 84 Cb 0.03 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1y0w h THR 84 CO -0.03 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.55 1y0w n PHE 85 N -4.47 0.77 0.05 3.16 3.72 -0.68 -4.69 117.46 115.32 1y0w n PHE 85 Ca 0.13 -0.45 -0.11 0.00 -0.05 0.00 0.00 57.45 56.97 1y0w n PHE 85 Cb 0.15 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 1y0w n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y0w h ALA 86 N 3.74 -0.15 -0.29 4.37 0.00 -1.14 0.19 119.26 125.98 1y0w h ALA 86 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1y0w h ALA 86 Cb 0.92 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1y0w h ALA 86 CO 0.00 -0.63 -0.16 1.79 0.00 0.00 0.00 179.25 180.25 1y0w h THR 87 N -0.23 1.24 -0.53 0.00 1.35 -1.84 -1.74 112.91 111.16 1y0w h THR 87 Ca 0.05 -1.10 -0.10 0.00 -0.55 0.00 0.00 66.41 64.71 1y0w h THR 87 Cb 0.30 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1y0w h THR 87 CO -0.14 0.36 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.36 1y0w h LEU 88 N 0.46 0.96 -0.22 3.87 4.07 -1.82 -1.77 115.31 120.86 1y0w h LEU 88 Ca 0.08 -0.33 0.05 0.00 0.08 0.00 0.00 57.88 57.76 1y0w h LEU 88 Cb 0.55 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 1y0w h LEU 88 CO 0.04 1.06 -0.07 -1.28 -1.08 0.00 0.00 178.44 177.10 1y0w h SER 89 N 0.84 -0.26 -0.58 -0.43 0.87 -0.13 0.01 113.55 113.87 1y0w h SER 89 Ca 0.14 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1y0w h SER 89 Cb 0.60 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1y0w h SER 89 CO 0.04 -0.10 0.37 -0.33 -0.53 0.00 0.00 176.83 176.27 1y0w h GLU 90 N -0.03 0.78 -0.41 2.24 5.08 -1.27 -1.74 114.58 119.23 1y0w h GLU 90 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1y0w h GLU 90 Cb 0.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1y0w h GLU 90 CO -0.24 0.54 0.24 1.25 -1.00 0.00 0.00 179.01 179.80 1y0w h LEU 91 N 0.78 0.50 -1.09 1.33 5.85 -1.04 0.15 115.31 121.78 1y0w h LEU 91 Ca 0.21 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1y0w h LEU 91 Cb -0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1y0w h LEU 91 CO -0.04 0.42 -0.06 0.45 -0.34 0.00 0.00 178.44 178.87 1y0w h HIS 92 N 0.54 0.60 0.26 1.25 3.86 -0.56 -1.44 115.15 119.65 1y0w h HIS 92 Ca 0.15 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1y0w h HIS 92 Cb 0.02 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1y0w h HIS 92 CO -0.03 0.62 -0.13 0.00 0.86 0.00 0.00 177.93 179.26 1y0w h ASP 94 N -1.08 0.18 0.00 0.00 3.32 -0.73 -3.11 116.42 115.01 1y0w h ASP 94 Ca -0.04 -0.20 -0.44 0.00 0.02 0.00 0.00 57.03 56.37 1y0w h ASP 94 Cb 0.32 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1y0w h ASP 94 CO 0.06 1.16 -2.52 0.29 -1.72 0.00 0.00 179.24 176.51 1y0w n LYS 95 N -3.40 0.61 0.07 3.56 4.01 -0.60 -4.72 118.16 117.69 1y0w n LYS 95 Ca -0.05 0.22 0.10 0.00 -0.51 0.00 0.00 58.31 58.07 1y0w n LYS 95 Cb 0.98 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.96 1y0w n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y0w n LEU 96 N -3.91 0.67 -3.57 -0.35 4.77 -0.87 -5.00 117.00 108.74 1y0w n LEU 96 Ca -0.52 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 1y0w n LEU 96 Cb 0.92 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 42.05 1y0w n LEU 96 CO 0.11 -0.12 0.12 1.41 -1.33 0.00 0.00 177.39 177.58 1y0w n HIS 97 N -2.61 -2.35 -3.22 -1.77 8.25 -0.12 -4.97 115.22 108.44 1y0w n HIS 97 Ca -0.02 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 57.97 1y0w n HIS 97 Cb 0.58 -4.86 -0.08 0.00 1.12 0.00 0.00 29.99 26.76 1y0w n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y0w s VAL 98 N -3.40 5.00 -0.11 1.59 1.01 -0.67 -5.02 120.40 118.79 1y0w s VAL 98 Ca 0.23 0.42 -0.35 0.00 0.00 0.00 0.00 61.98 62.28 1y0w s VAL 98 Cb -0.10 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1y0w s VAL 98 CO 0.75 -0.21 1.88 -0.67 0.00 0.00 0.00 175.10 176.86 1y0w n ASP 99 N 5.78 3.35 0.34 3.32 -0.08 -1.26 -4.76 116.55 123.24 1y0w n ASP 99 Ca -0.04 0.96 0.19 0.00 -1.51 0.00 0.00 54.79 54.39 1y0w n ASP 99 Cb 0.49 -1.35 1.02 0.00 2.34 0.00 0.00 41.12 43.61 1y0w n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y0w h PRO 100 N 9.20 0.00 -0.31 -0.67 0.11 -1.97 -0.55 132.00 137.81 1y0w h PRO 100 Ca -0.48 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1y0w h PRO 100 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1y0w h PRO 100 CO 0.95 0.00 0.26 1.49 -0.21 0.00 0.00 178.00 180.49 1y0w h GLU 101 N 0.00 0.00 -0.34 1.05 4.57 -1.98 -0.92 114.58 116.95 1y0w h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1y0w h GLU 101 Cb 0.33 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1y0w h GLU 101 CO 0.00 0.00 0.14 -0.91 -1.18 0.00 0.00 179.01 177.06 1y0w h ASN 102 N 0.00 0.43 -0.26 1.04 4.21 -1.46 -1.74 115.58 117.80 1y0w h ASN 102 Ca 0.15 -0.04 -0.09 0.00 1.21 0.00 0.00 56.30 57.53 1y0w h ASN 102 Cb 0.66 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 1y0w h ASN 102 CO -0.00 0.40 -0.12 -0.26 -1.29 0.00 0.00 177.43 176.15 1y0w h PHE 103 N 0.48 0.74 -0.31 1.19 0.04 -1.36 -1.17 116.94 116.54 1y0w h PHE 103 Ca 0.12 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1y0w h PHE 103 Cb 0.10 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1y0w h PHE 103 CO 0.00 0.77 -0.24 0.00 -0.60 0.00 0.00 178.31 178.24 1y0w h ARG 104 N 0.62 0.71 -0.44 1.51 3.08 -1.39 -1.52 114.38 116.96 1y0w h ARG 104 Ca 0.11 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1y0w h ARG 104 Cb 0.56 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1y0w h ARG 104 CO 0.04 0.96 0.28 -0.07 -1.07 0.00 0.00 179.97 180.11 1y0w h LEU 105 N 0.47 0.51 -1.10 3.04 3.38 -1.17 -2.19 115.31 118.25 1y0w h LEU 105 Ca 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1y0w h LEU 105 Cb 0.80 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1y0w h LEU 105 CO 0.06 0.39 0.26 0.25 0.09 0.00 0.00 178.44 179.49 1y0w h LEU 106 N 0.59 0.82 -0.51 1.67 5.85 -1.13 -1.90 115.31 120.69 1y0w h LEU 106 Ca 0.16 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1y0w h LEU 106 Cb -0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1y0w h LEU 106 CO -0.03 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.36 1y0w h GLY 107 N 0.99 0.73 0.94 3.75 0.00 -0.68 0.18 103.07 108.97 1y0w h GLY 107 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1y0w h GLY 107 CO -0.02 0.27 0.05 3.43 0.00 0.00 0.00 176.54 180.27 1y0w h ASN 108 N 0.69 0.66 -0.82 0.19 2.35 -1.06 -1.16 115.58 116.43 1y0w h ASN 108 Ca 0.19 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1y0w h ASN 108 Cb -0.07 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1y0w h ASN 108 CO -0.04 0.77 0.45 0.58 -1.65 0.00 0.00 177.43 177.53 1y0w h VAL 109 N 0.53 1.24 -0.83 2.81 2.07 -1.17 -2.02 116.25 118.88 1y0w h VAL 109 Ca 0.12 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1y0w h VAL 109 Cb 0.39 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1y0w h VAL 109 CO 0.01 0.28 0.41 0.25 0.02 0.00 0.00 177.57 178.53 1y0w h LEU 110 N 1.16 1.07 -0.40 2.57 5.85 -0.05 -1.20 115.31 124.30 1y0w h LEU 110 Ca 0.29 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1y0w h LEU 110 Cb 0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1y0w h LEU 110 CO -0.05 0.89 0.25 0.58 -0.34 0.00 0.00 178.44 179.77 1y0w h VAL 111 N 1.17 1.12 -0.68 1.05 2.07 -0.84 -0.80 116.25 119.35 1y0w h VAL 111 Ca 0.29 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y0w h VAL 111 Cb 0.10 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1y0w h VAL 111 CO -0.04 0.12 0.42 0.00 0.02 0.00 0.00 177.57 178.09 1y0w h VAL 113 N 0.93 1.28 -0.75 0.00 2.07 -0.63 0.15 116.25 119.29 1y0w h VAL 113 Ca 0.24 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1y0w h VAL 113 Cb -0.05 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1y0w h VAL 113 CO -0.05 0.44 0.35 -0.07 0.02 0.00 0.00 177.57 178.26 1y0w h LEU 114 N 0.67 0.98 -0.70 2.57 3.38 -0.99 -1.47 115.31 119.76 1y0w h LEU 114 Ca 0.09 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1y0w h LEU 114 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1y0w h LEU 114 CO 0.06 0.84 0.04 0.00 0.09 0.00 0.00 178.44 179.46 1y0w h ALA 115 N 1.31 0.91 -0.58 1.53 0.00 -0.82 -0.97 119.26 120.64 1y0w h ALA 115 Ca 0.26 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1y0w h ALA 115 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1y0w h ALA 115 CO -0.03 0.66 0.11 1.25 0.00 0.00 0.00 179.25 181.23 1y0w h HIS 116 N 0.96 1.01 0.09 0.00 -0.00 -0.43 -1.20 115.15 115.58 1y0w h HIS 116 Ca 0.18 -0.13 -0.29 0.00 -0.00 0.00 0.00 60.37 60.12 1y0w h HIS 116 Cb 0.50 -0.28 0.03 0.00 -0.00 0.00 0.00 27.41 27.66 1y0w h HIS 116 CO 0.03 0.87 -1.19 0.45 -0.00 0.00 0.00 177.93 178.09 1y0w h HIS 117 N 0.85 1.03 0.00 5.26 -0.00 -1.07 -3.37 115.15 117.85 1y0w h HIS 117 Ca 0.18 -0.62 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1y0w h HIS 117 Cb 0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1y0w h HIS 117 CO 0.03 1.46 -1.00 1.19 -0.00 0.00 0.00 177.93 179.61 1y0w n PHE 118 N -3.81 0.08 -1.77 2.45 3.72 -0.39 -5.04 117.46 112.70 1y0w n PHE 118 Ca -0.13 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1y0w n PHE 118 Cb 0.96 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 1y0w n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y0w n GLY 119 N 1.44 3.27 0.38 1.37 0.00 -0.46 -2.19 105.19 109.01 1y0w n GLY 119 Ca 0.03 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1y0w n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y0w h LYS 120 N 0.00 0.16 -0.01 1.61 -0.00 -1.96 -0.42 116.57 115.95 1y0w h LYS 120 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1y0w h LYS 120 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.19 1y0w h LYS 120 CO 0.00 0.11 0.02 1.49 -0.00 0.00 0.00 179.45 181.06 1y0w h GLU 121 N 0.17 0.00 -4.28 0.07 4.81 -1.84 -3.20 114.58 110.31 1y0w h GLU 121 Ca 0.30 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.77 1y0w h GLU 121 Cb 0.95 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.14 1y0w h GLU 121 CO -0.05 0.00 1.27 0.34 -0.73 0.00 0.00 179.01 179.85 1y0w n PHE 122 N -3.36 4.62 -1.46 0.92 7.35 -0.17 -4.94 117.46 120.42 1y0w n PHE 122 Ca -0.03 -3.34 -0.31 0.00 -0.76 0.00 0.00 57.45 53.01 1y0w n PHE 122 Cb 0.09 -2.03 0.08 0.00 0.35 0.00 0.00 39.48 37.97 1y0w n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0w s THR 123 N 0.70 3.46 0.22 -2.13 -4.23 -1.21 -4.74 115.64 107.70 1y0w s THR 123 Ca 0.40 0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 61.28 1y0w s THR 123 Cb -0.02 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.89 1y0w s THR 123 CO -0.01 -0.62 1.66 -0.65 -0.54 0.00 0.00 174.62 174.46 1y0w h PRO 124 N -1.00 0.10 -0.56 3.99 0.11 -1.94 0.03 132.00 132.73 1y0w h PRO 124 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1y0w h PRO 124 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1y0w h PRO 124 CO 0.56 0.07 0.27 -1.35 -0.21 0.00 0.00 178.00 177.34 1y0w h PRO 125 N 0.11 0.79 -0.38 1.05 0.11 -1.99 -0.84 132.00 130.84 1y0w h PRO 125 Ca 0.33 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 1y0w h PRO 125 Cb 0.54 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1y0w h PRO 125 CO -0.55 0.61 -0.08 0.28 -0.21 0.00 0.00 178.00 178.05 1y0w h VAL 126 N 0.79 1.27 -0.04 3.15 2.07 -1.65 -2.47 116.25 119.37 1y0w h VAL 126 Ca 0.20 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1y0w h VAL 126 Cb 0.08 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1y0w h VAL 126 CO -0.03 0.38 -0.13 -0.61 0.02 0.00 0.00 177.57 177.20 1y0w h GLN 127 N 0.53 -0.19 -0.98 1.57 4.15 -0.72 -1.75 115.11 117.71 1y0w h GLN 127 Ca 0.10 0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.71 1y0w h GLN 127 Cb 0.59 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.23 1y0w h GLN 127 CO 0.04 -0.13 0.61 0.00 -1.93 0.00 0.00 178.83 177.42 1y0w h ALA 128 N 0.79 1.76 -0.20 3.38 0.00 -1.00 0.17 119.26 124.15 1y0w h ALA 128 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1y0w h ALA 128 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y0w h ALA 128 CO -0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 179.25 178.92 1y0w h ALA 129 N 1.61 0.29 -0.07 0.00 0.00 -0.94 -2.71 119.26 117.44 1y0w h ALA 129 Ca 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1y0w h ALA 129 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1y0w h ALA 129 CO -0.31 0.11 -0.08 1.88 0.00 0.00 0.00 179.25 180.85 1y0w h TYR 130 N 0.12 0.11 -0.50 0.00 0.05 -0.35 -1.57 116.97 114.82 1y0w h TYR 130 Ca 0.05 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 1y0w h TYR 130 Cb 0.57 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1y0w h TYR 130 CO 0.06 0.19 -0.18 1.96 -1.05 0.00 0.00 178.16 179.14 1y0w h GLN 131 N 0.10 1.00 -0.63 4.88 1.08 -0.49 0.29 115.11 121.35 1y0w h GLN 131 Ca 0.02 -0.41 -0.08 0.00 -1.45 0.00 0.00 58.65 56.74 1y0w h GLN 131 Cb 0.21 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1y0w h GLN 131 CO 0.01 1.09 0.09 0.87 -0.95 0.00 0.00 178.83 179.94 1y0w h LYS 132 N 0.87 1.05 -0.03 1.46 1.57 -1.09 -2.28 116.57 118.12 1y0w h LYS 132 Ca 0.12 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1y0w h LYS 132 Cb 0.76 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1y0w h LYS 132 CO 0.06 0.98 0.01 0.28 -0.57 0.00 0.00 179.45 180.21 1y0w h VAL 133 N 0.96 1.15 -0.51 0.50 2.07 -1.02 -0.33 116.25 119.07 1y0w h VAL 133 Ca 0.19 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1y0w h VAL 133 Cb 0.45 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1y0w h VAL 133 CO 0.01 0.12 0.06 -0.37 0.02 0.00 0.00 177.57 177.42 1y0w h VAL 134 N -0.14 1.24 -0.58 2.57 -1.51 -0.92 -0.02 116.25 116.89 1y0w h VAL 134 Ca 0.01 -0.92 -0.04 0.00 -1.23 0.00 0.00 66.70 64.52 1y0w h VAL 134 Cb 0.19 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 1y0w h VAL 134 CO -0.00 0.33 0.22 0.00 -1.23 0.00 0.00 177.57 176.89 1y0w h ALA 135 N 1.29 0.75 -0.60 5.19 0.00 -1.38 0.57 119.26 125.07 1y0w h ALA 135 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1y0w h ALA 135 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1y0w h ALA 135 CO 0.01 0.38 0.34 0.78 0.00 0.00 0.00 179.25 180.75 1y0w h GLY 136 N 0.80 0.89 1.06 0.00 0.00 -0.47 -0.06 103.07 105.29 1y0w h GLY 136 Ca 0.19 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1y0w h GLY 136 CO -0.01 0.38 0.03 -2.08 0.00 0.00 0.00 176.54 174.86 1y0w h VAL 137 N 0.82 1.26 -0.66 4.60 2.07 -0.80 -1.18 116.25 122.36 1y0w h VAL 137 Ca 0.21 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1y0w h VAL 137 Cb 0.03 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1y0w h VAL 137 CO -0.04 0.40 0.28 0.00 0.02 0.00 0.00 177.57 178.24 1y0w h ALA 138 N 0.99 0.86 -0.69 1.67 0.00 -0.39 -0.87 119.26 120.82 1y0w h ALA 138 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1y0w h ALA 138 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1y0w h ALA 138 CO 0.02 0.46 0.17 -0.91 0.00 0.00 0.00 179.25 178.99 1y0w h ASN 139 N 0.93 1.03 -0.33 0.00 2.35 -0.81 -2.28 115.58 116.47 1y0w h ASN 139 Ca 0.22 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1y0w h ASN 139 Cb 0.18 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1y0w h ASN 139 CO -0.02 0.99 -0.18 0.00 -1.65 0.00 0.00 177.43 176.57 1y0w h ALA 140 N 1.14 0.90 0.00 -0.83 0.00 -0.89 -2.14 119.26 117.43 1y0w h ALA 140 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y0w h ALA 140 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y0w h ALA 140 CO 0.00 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1y0w h LEU 141 N 0.71 0.00 -0.46 0.00 3.38 -0.87 -2.91 115.31 115.16 1y0w h LEU 141 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1y0w h LEU 141 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1y0w h LEU 141 CO 0.05 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.97 1y0w n ALA 142 N -1.97 3.87 0.20 1.53 0.00 -0.88 -4.34 120.51 118.92 1y0w n ALA 142 Ca 0.02 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1y0w n ALA 142 Cb 0.32 -0.89 0.41 0.00 0.00 0.00 0.00 19.45 19.29 1y0w n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y0w h HIS 143 N 1.13 0.00 -0.28 0.00 2.07 -1.19 -2.09 115.15 114.79 1y0w h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1y0w h HIS 143 Cb 0.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.58 1y0w h HIS 143 CO 0.00 0.31 0.00 1.63 -3.07 0.00 0.00 177.93 176.80 1y0w n LYS 144 N -3.54 1.75 -2.36 5.12 4.76 -1.26 -4.92 118.16 117.72 1y0w n LYS 144 Ca -0.00 -1.16 -0.36 0.00 -2.87 0.00 0.00 58.31 53.91 1y0w n LYS 144 Cb 0.45 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1y0w n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y0w s TYR 145 N -1.63 2.95 0.00 2.13 1.51 -0.79 -4.79 117.35 116.74 1y0w s TYR 145 Ca 0.26 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 1y0w s TYR 145 Cb 0.13 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 1y0w s TYR 145 CO 0.19 -1.23 0.00 -2.39 -1.11 0.00 0.00 175.55 171.01