#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0w s LEU 2 N 0.00 4.45 0.44 7.52 1.43 -1.26 -5.07 118.68 126.20 1y0w s LEU 2 Ca 0.00 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 1y0w s LEU 2 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1y0w s LEU 2 CO 0.00 -0.31 0.63 -0.94 0.23 0.00 0.00 176.35 175.97 1y0w s SER 3 N 0.20 5.73 0.23 2.29 1.04 -1.26 -4.93 113.70 117.00 1y0w s SER 3 Ca 0.52 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1y0w s SER 3 Cb -0.30 -1.22 0.40 0.00 0.10 0.00 0.00 66.02 65.01 1y0w s SER 3 CO 0.34 -0.74 1.71 -0.65 0.98 0.00 0.00 173.24 174.88 1y0w h PRO 4 N 0.48 0.32 -0.58 4.02 0.11 -2.00 -0.14 132.00 134.21 1y0w h PRO 4 Ca -0.44 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1y0w h PRO 4 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1y0w h PRO 4 CO 0.54 0.21 0.05 0.00 -0.21 0.00 0.00 178.00 178.60 1y0w h ALA 5 N 1.54 1.00 -0.14 -0.75 0.00 -1.99 -1.99 119.26 116.93 1y0w h ALA 5 Ca 0.38 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1y0w h ALA 5 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y0w h ALA 5 CO -0.43 0.62 0.05 -0.44 0.00 0.00 0.00 179.25 179.05 1y0w h ASP 6 N 0.90 0.07 -0.97 0.00 3.32 -1.45 -1.19 116.42 117.09 1y0w h ASP 6 Ca 0.18 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1y0w h ASP 6 Cb 0.45 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1y0w h ASP 6 CO 0.02 0.06 0.63 0.11 -1.72 0.00 0.00 179.24 178.34 1y0w h LYS 7 N 0.13 1.18 -0.47 3.56 1.57 -0.87 -0.01 116.57 121.65 1y0w h LYS 7 Ca 0.06 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1y0w h LYS 7 Cb 0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1y0w h LYS 7 CO -0.05 0.78 0.01 1.15 -0.57 0.00 0.00 179.45 180.76 1y0w h THR 8 N 1.21 1.26 -0.59 -0.16 2.02 -1.14 -1.42 112.91 114.09 1y0w h THR 8 Ca 0.39 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1y0w h THR 8 Cb 0.03 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1y0w h THR 8 CO -0.13 0.36 0.22 0.78 0.37 0.00 0.00 175.52 177.12 1y0w h ASN 9 N 0.68 0.83 -0.16 4.18 -0.26 -0.40 -1.52 115.58 118.93 1y0w h ASN 9 Ca 0.13 -0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 1y0w h ASN 9 Cb 0.49 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1y0w h ASN 9 CO 0.02 0.79 -0.08 0.58 -1.06 0.00 0.00 177.43 177.68 1y0w h VAL 10 N 0.82 1.31 -1.00 2.81 2.07 -0.87 -0.56 116.25 120.83 1y0w h VAL 10 Ca 0.19 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1y0w h VAL 10 Cb 0.23 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1y0w h VAL 10 CO -0.01 0.33 0.66 0.11 0.02 0.00 0.00 177.57 178.69 1y0w h LYS 11 N 0.01 1.31 -0.02 1.57 1.57 -1.23 0.26 116.57 120.04 1y0w h LYS 11 Ca 0.04 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1y0w h LYS 11 Cb 0.56 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1y0w h LYS 11 CO 0.02 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.77 1y0w h ALA 12 N 1.38 0.03 -0.36 3.86 0.00 -1.15 -0.15 119.26 122.86 1y0w h ALA 12 Ca 0.37 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1y0w h ALA 12 Cb -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1y0w h ALA 12 CO -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 179.25 178.86 1y0w h ALA 13 N 0.73 0.48 -0.28 0.00 0.00 -0.90 -2.76 119.26 116.52 1y0w h ALA 13 Ca 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1y0w h ALA 13 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1y0w h ALA 13 CO 0.00 0.22 -0.07 2.35 0.00 0.00 0.00 179.25 181.75 1y0w h TRP 14 N 0.44 0.47 -0.80 0.00 2.91 -0.96 -2.28 115.95 115.72 1y0w h TRP 14 Ca 0.10 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.08 1y0w h TRP 14 Cb 0.41 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 1y0w h TRP 14 CO 0.03 0.52 0.53 0.78 -1.03 0.00 0.00 178.44 179.27 1y0w h GLY 15 N 0.84 1.13 2.00 2.65 0.00 -0.84 -2.09 103.07 106.75 1y0w h GLY 15 Ca 0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1y0w h GLY 15 CO 0.02 0.42 -0.59 0.50 0.00 0.00 0.00 176.54 176.88 1y0w h LYS 16 N 1.09 0.00 -0.33 4.80 1.79 -1.14 -2.91 116.57 119.87 1y0w h LYS 16 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1y0w h LYS 16 Cb -0.12 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1y0w h LYS 16 CO -0.06 0.59 0.21 0.28 -1.08 0.00 0.00 179.45 179.39 1y0w h VAL 17 N 0.00 1.10 0.00 0.50 2.07 -1.10 -3.46 116.25 115.37 1y0w h VAL 17 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1y0w h VAL 17 Cb 1.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1y0w h VAL 17 CO 0.08 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1y0w n GLY 18 N -1.13 2.94 1.22 2.17 0.00 -0.91 -0.84 105.19 108.63 1y0w n GLY 18 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1y0w n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0w n ALA 19 N 9.56 2.95 0.01 4.61 0.00 -1.26 -2.77 120.51 133.62 1y0w n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y0w n ALA 19 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1y0w n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0w n HIS 20 N 0.95 0.00 -0.25 0.00 -0.00 -0.02 -4.83 115.22 111.07 1y0w n HIS 20 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1y0w n HIS 20 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.36 1y0w n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y0w h ALA 21 N 0.05 -0.58 -0.36 -1.41 0.00 -1.66 -0.20 119.26 115.09 1y0w h ALA 21 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1y0w h ALA 21 Cb 0.01 1.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1y0w h ALA 21 CO 0.00 -0.88 -0.46 0.78 0.00 0.00 0.00 179.25 178.70 1y0w h GLY 22 N -0.16 -0.68 0.30 0.00 0.00 -1.86 0.24 103.07 100.91 1y0w h GLY 22 Ca 0.10 0.58 0.11 0.00 0.00 0.00 0.00 47.33 48.12 1y0w h GLY 22 CO -0.66 -0.18 0.25 -2.09 0.00 0.00 0.00 176.54 173.86 1y0w h GLU 23 N -0.38 0.41 -0.48 4.80 4.81 -1.76 -1.58 114.58 120.41 1y0w h GLU 23 Ca 0.11 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1y0w h GLU 23 Cb 0.60 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1y0w h GLU 23 CO -0.55 0.27 -0.13 1.88 -0.73 0.00 0.00 179.01 179.75 1y0w h TYR 24 N 0.43 1.00 -0.39 0.92 0.05 0.29 -1.28 116.97 117.98 1y0w h TYR 24 Ca 0.34 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.96 1y0w h TYR 24 Cb 0.46 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1y0w h TYR 24 CO -0.17 0.97 0.16 0.78 -1.05 0.00 0.00 178.16 178.84 1y0w h GLY 25 N 0.96 0.52 1.00 3.88 0.00 0.15 0.79 103.07 110.35 1y0w h GLY 25 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1y0w h GLY 25 CO 0.05 0.05 0.09 0.00 0.00 0.00 0.00 176.54 176.72 1y0w h ALA 26 N 1.24 0.69 -0.71 3.60 0.00 -1.16 -1.45 119.26 121.47 1y0w h ALA 26 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1y0w h ALA 26 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1y0w h ALA 26 CO -0.16 0.43 0.41 1.49 0.00 0.00 0.00 179.25 181.41 1y0w h GLU 27 N 0.75 0.98 -0.52 0.00 4.81 -0.93 -1.26 114.58 118.40 1y0w h GLU 27 Ca 0.16 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1y0w h GLU 27 Cb 0.40 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1y0w h GLU 27 CO 0.01 0.72 0.28 0.00 -0.73 0.00 0.00 179.01 179.29 1y0w h ALA 28 N 1.21 0.67 -0.43 2.92 0.00 -0.54 -0.31 119.26 122.78 1y0w h ALA 28 Ca 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1y0w h ALA 28 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1y0w h ALA 28 CO -0.04 -0.06 0.24 -0.07 0.00 0.00 0.00 179.25 179.32 1y0w h LEU 29 N 0.54 0.54 -0.53 0.00 3.38 -0.96 -1.10 115.31 117.18 1y0w h LEU 29 Ca 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1y0w h LEU 29 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y0w h LEU 29 CO -0.15 0.46 0.22 -0.08 0.09 0.00 0.00 178.44 178.99 1y0w h GLU 30 N 0.56 0.78 -0.39 1.13 4.81 -0.79 -0.22 114.58 120.47 1y0w h GLU 30 Ca 0.15 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1y0w h GLU 30 Cb 0.04 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1y0w h GLU 30 CO -0.03 0.68 0.09 0.00 -0.73 0.00 0.00 179.01 179.02 1y0w h ARG 31 N 0.71 0.21 -0.28 1.92 3.08 -0.83 -1.74 114.38 117.45 1y0w h ARG 31 Ca 0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1y0w h ARG 31 Cb 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1y0w h ARG 31 CO -0.02 0.14 0.17 1.98 -1.07 0.00 0.00 179.97 181.18 1y0w h MET 32 N 0.22 0.37 -0.93 0.04 4.05 -0.51 0.06 114.93 118.24 1y0w h MET 32 Ca 0.19 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1y0w h MET 32 Cb 0.21 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 1y0w h MET 32 CO -0.24 0.27 0.61 0.74 0.23 0.00 0.00 176.91 178.53 1y0w h PHE 33 N 0.36 1.14 0.21 1.39 0.04 -0.77 0.71 116.94 120.02 1y0w h PHE 33 Ca 0.10 0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.58 1y0w h PHE 33 Cb -0.01 -0.38 0.03 0.00 2.20 0.00 0.00 35.95 37.78 1y0w h PHE 33 CO -0.05 0.69 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.86 1y0w h LEU 34 N 1.21 0.69 0.06 1.54 3.38 -1.00 -3.24 115.31 117.95 1y0w h LEU 34 Ca 0.36 -0.76 -0.25 0.00 0.09 0.00 0.00 57.88 57.32 1y0w h LEU 34 Cb -0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1y0w h LEU 34 CO -0.09 1.59 -1.21 0.28 0.09 0.00 0.00 178.44 179.10 1y0w h SER 35 N 0.12 0.20 -2.69 -0.43 0.02 -0.89 -3.40 113.55 106.48 1y0w h SER 35 Ca -0.22 -0.23 -0.61 0.00 -0.84 0.00 0.00 61.79 59.89 1y0w h SER 35 Cb 2.10 -0.07 -0.41 0.00 0.14 0.00 0.00 62.40 64.17 1y0w h SER 35 CO 0.25 1.19 -0.71 0.49 -1.14 0.00 0.00 176.83 176.90 1y0w n PHE 36 N -3.41 2.07 0.27 3.45 3.72 0.23 -4.98 117.46 118.82 1y0w n PHE 36 Ca -0.06 -4.00 0.18 0.00 -0.05 0.00 0.00 57.45 53.52 1y0w n PHE 36 Cb 0.99 -0.38 0.94 0.00 -0.94 0.00 0.00 39.48 40.09 1y0w n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y0w h PRO 37 N 5.15 0.00 0.00 -1.08 0.11 -1.73 -1.22 132.00 133.23 1y0w h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1y0w h PRO 37 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1y0w h PRO 37 CO 0.64 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.20 1y0w h THR 38 N 0.00 0.29 0.00 -1.15 1.35 -1.92 -1.97 112.91 109.51 1y0w h THR 38 Ca 0.04 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1y0w h THR 38 Cb 0.32 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1y0w h THR 38 CO -0.00 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 176.00 1y0w h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.55 -2.75 112.91 116.79 1y0w h THR 39 Ca -0.00 -0.43 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1y0w h THR 39 Cb 0.08 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1y0w h THR 39 CO 0.00 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.31 1y0w h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.55 -2.91 116.57 118.40 1y0w h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0w h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1y0w h LYS 40 CO 0.00 0.07 0.01 1.79 -0.57 0.00 0.00 179.45 180.76 1y0w h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.67 -0.17 112.91 112.25 1y0w h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y0w h THR 41 Cb 0.35 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1y0w h THR 41 CO 0.01 0.00 -0.28 -1.22 -0.25 0.00 0.00 175.52 173.78 1y0w n TYR 42 N -2.87 0.00 -2.49 4.73 4.01 -1.10 -4.29 117.16 115.15 1y0w n TYR 42 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1y0w n TYR 42 Cb 0.07 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1y0w n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0w n PHE 43 N -0.92 2.43 0.26 -0.72 3.01 -0.08 -4.85 117.46 116.59 1y0w n PHE 43 Ca 0.11 -2.77 0.13 0.00 1.01 0.00 0.00 57.45 55.93 1y0w n PHE 43 Cb 0.33 -0.23 0.72 0.00 -0.01 0.00 0.00 39.48 40.30 1y0w n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0w h PRO 44 N 2.64 0.00 -0.01 -1.08 0.13 -1.74 -2.11 132.00 129.82 1y0w h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1y0w h PRO 44 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y0w h PRO 44 CO 0.66 0.12 -0.04 -2.39 -0.23 0.00 0.00 178.00 176.12 1y0w n HIS 45 N -3.57 0.00 -3.83 1.56 1.44 -1.26 -4.88 115.22 104.68 1y0w n HIS 45 Ca -0.02 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 1y0w n HIS 45 Cb 0.25 -0.03 -0.04 0.00 0.12 0.00 0.00 29.99 30.30 1y0w n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0w s PHE 46 N -2.09 3.50 -0.15 -1.40 0.40 -0.80 -5.08 117.98 112.37 1y0w s PHE 46 Ca 0.37 0.31 -0.24 0.00 -0.60 0.00 0.00 56.93 56.77 1y0w s PHE 46 Cb 0.21 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 1y0w s PHE 46 CO 0.37 0.50 0.74 0.34 0.70 0.00 0.00 175.22 177.87 1y0w s ASP 47 N -2.76 6.89 -0.13 1.36 2.15 -1.26 -4.95 116.67 117.97 1y0w s ASP 47 Ca 0.37 1.09 0.15 0.00 0.43 0.00 0.00 52.55 54.59 1y0w s ASP 47 Cb -0.12 -2.41 0.51 0.00 -0.30 0.00 0.00 42.92 40.60 1y0w s ASP 47 CO 0.28 -0.28 1.42 0.18 -0.17 0.00 0.00 175.17 176.60 1y0w n LEU 48 N 4.76 3.86 -4.77 -1.34 4.77 -1.26 -4.53 117.00 118.49 1y0w n LEU 48 Ca 0.01 -2.70 -0.34 0.00 -0.03 0.00 0.00 56.01 52.95 1y0w n LEU 48 Cb 0.50 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1y0w n LEU 48 CO 0.47 0.70 0.77 -0.94 -1.33 0.00 0.00 177.39 177.05 1y0w s SER 49 N -1.52 5.45 0.06 -1.43 1.04 -1.26 -4.91 113.70 111.13 1y0w s SER 49 Ca 0.39 2.10 -0.37 0.00 0.48 0.00 0.00 55.95 58.55 1y0w s SER 49 Cb 0.29 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.67 1y0w s SER 49 CO 0.13 -1.40 1.36 1.57 0.98 0.00 0.00 173.24 175.87 1y0w n HIS 50 N -1.79 1.52 -0.94 5.02 -0.00 -1.26 -1.10 115.22 116.67 1y0w n HIS 50 Ca 0.11 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.94 1y0w n HIS 50 Cb 0.51 -2.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.05 1y0w n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y0w n GLY 51 N 2.58 0.64 3.70 1.57 0.00 -1.26 -4.99 105.19 107.43 1y0w n GLY 51 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1y0w n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y0w n SER 52 N 0.00 2.94 0.19 1.61 2.88 -0.26 -4.90 113.62 116.08 1y0w n SER 52 Ca 0.00 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.74 1y0w n SER 52 Cb 0.00 -1.48 0.36 0.00 -0.75 0.00 0.00 64.21 62.34 1y0w n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y0w h ALA 53 N 3.57 1.31 -0.30 -1.46 0.00 -1.90 -2.18 119.26 118.31 1y0w h ALA 53 Ca -0.46 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 53.96 1y0w h ALA 53 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1y0w h ALA 53 CO 0.70 0.47 -0.42 1.96 0.00 0.00 0.00 179.25 181.97 1y0w h GLN 54 N 0.00 0.75 -0.12 0.00 4.20 -1.90 -1.75 115.11 116.28 1y0w h GLN 54 Ca -0.00 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1y0w h GLN 54 Cb 0.70 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1y0w h GLN 54 CO 0.05 1.02 0.03 0.28 -0.67 0.00 0.00 178.83 179.55 1y0w h VAL 55 N 0.61 1.19 -0.26 -0.54 2.07 -1.74 -0.58 116.25 116.99 1y0w h VAL 55 Ca 0.04 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1y0w h VAL 55 Cb 0.97 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1y0w h VAL 55 CO 0.09 0.17 -0.01 0.11 0.02 0.00 0.00 177.57 177.95 1y0w h LYS 56 N 0.01 0.06 -0.83 1.57 1.79 -1.38 0.20 116.57 117.99 1y0w h LYS 56 Ca 0.04 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1y0w h LYS 56 Cb 0.24 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1y0w h LYS 56 CO -0.00 0.04 0.55 0.78 -1.08 0.00 0.00 179.45 179.74 1y0w h GLY 57 N 0.06 1.17 1.25 3.86 0.00 -1.23 -1.37 103.07 106.82 1y0w h GLY 57 Ca 0.12 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 1y0w h GLY 57 CO -0.22 0.42 -0.73 0.84 0.00 0.00 0.00 176.54 176.84 1y0w h HIS 58 N 1.12 0.99 -0.87 5.60 -0.00 -0.85 -2.76 115.15 118.38 1y0w h HIS 58 Ca 0.31 -0.42 0.13 0.00 -0.00 0.00 0.00 60.37 60.38 1y0w h HIS 58 Cb -0.12 -0.16 -0.09 0.00 -0.00 0.00 0.00 27.41 27.05 1y0w h HIS 58 CO -0.02 1.24 0.49 0.78 -0.00 0.00 0.00 177.93 180.43 1y0w h GLY 59 N 0.70 1.41 0.95 5.26 0.00 -0.02 -0.20 103.07 111.17 1y0w h GLY 59 Ca -0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1y0w h GLY 59 CO 0.15 0.05 -0.05 1.70 0.00 0.00 0.00 176.54 178.38 1y0w h LYS 60 N 0.74 0.70 -0.84 4.80 3.64 -1.18 -0.86 116.57 123.57 1y0w h LYS 60 Ca 0.45 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1y0w h LYS 60 Cb 0.55 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1y0w h LYS 60 CO -0.31 0.83 0.55 0.87 -2.27 0.00 0.00 179.45 179.12 1y0w h LYS 61 N 0.51 1.08 -0.27 1.90 1.57 -0.98 0.28 116.57 120.65 1y0w h LYS 61 Ca 0.10 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1y0w h LYS 61 Cb 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1y0w h LYS 61 CO 0.03 0.71 0.07 0.28 -0.57 0.00 0.00 179.45 179.97 1y0w h VAL 62 N 1.11 1.21 -0.71 0.50 2.07 -0.87 -2.15 116.25 117.42 1y0w h VAL 62 Ca 0.32 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1y0w h VAL 62 Cb -0.09 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1y0w h VAL 62 CO -0.08 0.23 0.34 0.00 0.02 0.00 0.00 177.57 178.07 1y0w h ALA 63 N 0.90 0.92 -0.69 1.67 0.00 -0.70 -1.54 119.26 119.82 1y0w h ALA 63 Ca 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1y0w h ALA 63 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1y0w h ALA 63 CO 0.00 0.49 0.29 -0.44 0.00 0.00 0.00 179.25 179.59 1y0w h ASP 64 N 1.00 0.91 -0.58 0.00 3.32 -0.82 -0.09 116.42 120.17 1y0w h ASP 64 Ca 0.24 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1y0w h ASP 64 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1y0w h ASP 64 CO -0.03 0.81 0.07 0.00 -1.72 0.00 0.00 179.24 178.36 1y0w h ALA 65 N 1.33 0.97 -0.50 3.45 0.00 -0.81 -0.00 119.26 123.70 1y0w h ALA 65 Ca 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1y0w h ALA 65 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1y0w h ALA 65 CO -0.02 0.64 0.10 -0.07 0.00 0.00 0.00 179.25 179.90 1y0w h LEU 66 N 0.94 0.78 -0.82 0.00 3.38 -0.87 -1.73 115.31 116.98 1y0w h LEU 66 Ca 0.18 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1y0w h LEU 66 Cb 0.45 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1y0w h LEU 66 CO 0.02 0.82 0.53 0.74 0.09 0.00 0.00 178.44 180.64 1y0w h THR 67 N 0.70 1.15 -0.73 0.22 2.02 -0.76 -0.92 112.91 114.58 1y0w h THR 67 Ca 0.15 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1y0w h THR 67 Cb 0.36 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1y0w h THR 67 CO 0.01 0.19 0.25 -1.13 0.37 0.00 0.00 175.52 175.21 1y0w h ASN 68 N 1.05 1.04 -0.31 4.18 -1.24 -0.77 -1.08 115.58 118.46 1y0w h ASN 68 Ca 0.32 -0.18 -0.10 0.00 0.71 0.00 0.00 56.30 57.05 1y0w h ASN 68 Cb -0.03 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 1y0w h ASN 68 CO -0.10 0.95 -0.16 0.00 -1.29 0.00 0.00 177.43 176.83 1y0w h ALA 69 N 1.19 0.96 -0.68 1.57 0.00 -0.67 -1.78 119.26 119.84 1y0w h ALA 69 Ca 0.24 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1y0w h ALA 69 Cb 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1y0w h ALA 69 CO -0.01 0.61 0.18 0.28 0.00 0.00 0.00 179.25 180.31 1y0w h VAL 70 N 0.68 1.26 0.00 0.00 2.07 -0.96 -1.38 116.25 117.91 1y0w h VAL 70 Ca 0.11 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1y0w h VAL 70 Cb 0.65 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1y0w h VAL 70 CO 0.05 0.36 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 1y0w h ALA 71 N 1.08 1.06 -1.04 1.67 0.00 -0.70 -3.04 119.26 118.29 1y0w h ALA 71 Ca 0.22 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.60 1y0w h ALA 71 Cb 0.34 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.71 1y0w h ALA 71 CO -0.00 0.06 -0.90 0.72 0.00 0.00 0.00 179.25 179.13 1y0w n HIS 72 N -3.23 2.49 0.28 0.00 8.25 -0.72 -4.88 115.22 117.41 1y0w n HIS 72 Ca -0.01 -2.65 0.14 0.00 -0.26 0.00 0.00 57.72 54.94 1y0w n HIS 72 Cb 0.24 -0.23 0.82 0.00 1.12 0.00 0.00 29.99 31.94 1y0w n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0w h VAL 73 N 2.98 0.59 -0.31 1.59 3.04 -1.15 0.15 116.25 123.13 1y0w h VAL 73 Ca 0.18 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1y0w h VAL 73 Cb 1.20 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1y0w h VAL 73 CO 0.66 0.05 0.00 0.47 -1.01 0.00 0.00 177.57 177.74 1y0w n ASP 74 N -3.83 1.91 -2.72 3.17 8.00 -1.26 -4.28 116.55 117.54 1y0w n ASP 74 Ca -0.03 -1.91 -0.02 0.00 0.71 0.00 0.00 54.79 53.55 1y0w n ASP 74 Cb 0.14 -0.21 0.10 0.00 -0.02 0.00 0.00 41.12 41.14 1y0w n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y0w n ASP 75 N 0.52 -0.54 -0.22 -2.24 2.03 0.00 -5.00 116.55 111.10 1y0w n ASP 75 Ca 0.14 -2.18 -0.06 0.00 0.52 0.00 0.00 54.79 53.20 1y0w n ASP 75 Cb 0.32 0.34 0.04 0.00 -0.72 0.00 0.00 41.12 41.10 1y0w n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0w h MET 76 N 1.56 0.86 -0.62 -0.67 2.86 -1.64 -0.83 114.93 116.46 1y0w h MET 76 Ca -0.34 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1y0w h MET 76 Cb 1.29 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1y0w h MET 76 CO -0.06 0.63 0.41 -1.35 1.06 0.00 0.00 176.91 177.60 1y0w h PRO 77 N 0.85 0.59 0.24 -0.22 0.11 -1.94 -1.18 132.00 130.45 1y0w h PRO 77 Ca 0.22 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.96 1y0w h PRO 77 Cb 0.00 -0.13 0.03 0.00 0.11 0.00 0.00 31.00 31.01 1y0w h PRO 77 CO -0.04 0.39 -1.51 -0.91 -0.21 0.00 0.00 178.00 175.72 1y0w h ASN 78 N 0.61 0.78 -0.17 -2.05 2.35 -1.83 -3.00 115.58 112.27 1y0w h ASN 78 Ca 0.27 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 55.07 1y0w h ASN 78 Cb 0.27 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1y0w h ASN 78 CO -0.08 1.72 0.06 0.00 -1.65 0.00 0.00 177.43 177.48 1y0w h ALA 79 N 0.13 1.67 -0.64 -0.83 0.00 -0.81 -2.95 119.26 115.83 1y0w h ALA 79 Ca -0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y0w h ALA 79 Cb 2.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1y0w h ALA 79 CO 0.25 0.26 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1y0w n LEU 80 N -4.40 4.23 -0.15 0.00 4.77 -0.48 -4.68 117.00 116.29 1y0w n LEU 80 Ca 0.00 -2.24 -0.03 0.00 -0.03 0.00 0.00 56.01 53.72 1y0w n LEU 80 Cb 0.15 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1y0w n LEU 80 CO 0.36 0.87 0.89 -1.28 -1.33 0.00 0.00 177.39 176.91 1y0w h SER 81 N 3.89 -0.04 -0.74 -1.43 0.87 -1.36 0.17 113.55 114.90 1y0w h SER 81 Ca 0.00 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1y0w h SER 81 Cb 1.19 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 1y0w h SER 81 CO 0.11 0.01 0.35 0.00 -0.53 0.00 0.00 176.83 176.77 1y0w h ALA 82 N 1.38 1.20 -0.14 6.23 0.00 -1.84 -0.68 119.26 125.41 1y0w h ALA 82 Ca 0.24 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1y0w h ALA 82 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1y0w h ALA 82 CO -0.33 0.61 -0.56 -0.07 0.00 0.00 0.00 179.25 178.90 1y0w h LEU 83 N 1.08 0.47 -0.44 0.00 3.38 -1.64 -1.45 115.31 116.70 1y0w h LEU 83 Ca 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1y0w h LEU 83 Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1y0w h LEU 83 CO -0.03 0.93 0.13 -1.28 0.09 0.00 0.00 178.44 178.28 1y0w h SER 84 N 0.32 0.66 -0.39 -0.43 0.87 -0.41 -1.92 113.55 112.25 1y0w h SER 84 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1y0w h SER 84 Cb 1.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1y0w h SER 84 CO 0.10 0.70 0.25 0.44 -0.53 0.00 0.00 176.83 177.79 1y0w h ASP 85 N 0.58 0.46 -0.16 6.23 3.32 -0.78 -2.49 116.42 123.57 1y0w h ASP 85 Ca 0.14 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1y0w h ASP 85 Cb 0.28 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1y0w h ASP 85 CO -0.00 0.35 0.08 0.25 -1.72 0.00 0.00 179.24 178.19 1y0w h LEU 86 N 0.53 0.11 -0.63 1.55 7.12 -1.10 -1.16 115.31 121.73 1y0w h LEU 86 Ca 0.14 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 1y0w h LEU 86 Cb -0.04 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1y0w h LEU 86 CO -0.03 0.09 0.16 0.45 -0.13 0.00 0.00 178.44 178.98 1y0w h HIS 87 N 0.17 1.05 -0.33 1.25 3.86 -1.34 -0.77 115.15 119.03 1y0w h HIS 87 Ca 0.07 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 1y0w h HIS 87 Cb 0.02 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1y0w h HIS 87 CO -0.09 0.88 -0.33 0.00 0.86 0.00 0.00 177.93 179.25 1y0w h ALA 88 N 1.05 0.49 0.00 2.45 0.00 -1.24 0.77 119.26 122.79 1y0w h ALA 88 Ca 0.20 -0.42 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 1y0w h ALA 88 Cb 0.35 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1y0w h ALA 88 CO 0.00 0.54 -2.39 0.72 0.00 0.00 0.00 179.25 178.13 1y0w n HIS 89 N -4.17 0.01 -0.03 0.00 8.25 -0.46 -4.54 115.22 114.28 1y0w n HIS 89 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1y0w n HIS 89 Cb 0.50 -1.00 -0.02 0.00 1.12 0.00 0.00 29.99 30.59 1y0w n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0w n LYS 90 N -2.78 0.31 -0.06 -0.41 4.81 -0.40 -4.81 118.16 114.81 1y0w n LYS 90 Ca -0.34 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.09 1y0w n LYS 90 Cb 1.15 -1.05 -0.07 0.00 0.02 0.00 0.00 35.03 35.09 1y0w n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0w h LEU 91 N -0.59 0.59 -1.65 3.14 3.38 -1.34 -3.47 115.31 115.36 1y0w h LEU 91 Ca 0.00 -0.54 -0.42 0.00 0.09 0.00 0.00 57.88 57.01 1y0w h LEU 91 Cb 0.59 -0.17 0.05 0.00 0.09 0.00 0.00 40.66 41.22 1y0w h LEU 91 CO 0.00 1.01 -0.82 0.54 0.09 0.00 0.00 178.44 179.27 1y0w n ARG 92 N -4.34 -5.10 -2.48 1.13 1.74 0.27 -4.93 116.66 102.95 1y0w n ARG 92 Ca -0.06 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 1y0w n ARG 92 Cb 0.48 -5.25 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 1y0w n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0w s VAL 93 N -3.61 4.08 0.25 1.55 1.01 -1.26 -4.98 120.40 117.45 1y0w s VAL 93 Ca 0.10 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 1y0w s VAL 93 Cb -0.05 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 1y0w s VAL 93 CO 0.81 0.17 1.66 -0.62 0.00 0.00 0.00 175.10 177.12 1y0w s ASP 94 N 0.71 6.36 0.51 3.32 -1.08 -1.26 -4.87 116.67 120.36 1y0w s ASP 94 Ca 0.55 2.92 0.34 0.00 -0.52 0.00 0.00 52.55 55.84 1y0w s ASP 94 Cb -0.28 -2.62 1.48 0.00 -1.46 0.00 0.00 42.92 40.03 1y0w s ASP 94 CO 0.31 -0.95 1.78 -0.65 0.52 0.00 0.00 175.17 176.18 1y0w h PRO 95 N 5.77 0.07 0.00 4.34 0.11 -2.00 -0.71 132.00 139.58 1y0w h PRO 95 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1y0w h PRO 95 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y0w h PRO 95 CO 0.87 0.05 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.28 1y0w h VAL 96 N 0.08 0.75 0.00 3.15 -1.51 -2.04 -2.39 116.25 114.28 1y0w h VAL 96 Ca 0.60 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.89 1y0w h VAL 96 Cb 2.22 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 32.46 1y0w h VAL 96 CO -0.08 0.04 -0.10 0.78 -1.23 0.00 0.00 177.57 176.98 1y0w h ASN 97 N 0.00 0.00 -0.47 4.19 4.21 -1.48 -2.87 115.58 119.16 1y0w h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1y0w h ASN 97 Cb 0.09 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1y0w h ASN 97 CO 0.01 0.10 0.02 -0.26 -1.29 0.00 0.00 177.43 176.01 1y0w h PHE 98 N 0.00 0.93 -0.24 1.19 -1.00 -1.61 -1.85 116.94 114.35 1y0w h PHE 98 Ca -0.00 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.58 1y0w h PHE 98 Cb 0.38 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1y0w h PHE 98 CO 0.00 0.83 -0.16 0.87 -1.61 0.00 0.00 178.31 178.24 1y0w h LYS 99 N 0.81 0.42 -0.23 1.51 1.57 -1.67 -0.62 116.57 118.36 1y0w h LYS 99 Ca 0.16 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1y0w h LYS 99 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1y0w h LYS 99 CO 0.02 0.58 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.15 1y0w h LEU 100 N 0.38 0.62 -0.35 2.94 3.38 -1.41 -1.63 115.31 119.24 1y0w h LEU 100 Ca 0.07 -0.49 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 1y0w h LEU 100 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1y0w h LEU 100 CO 0.03 0.99 -0.40 0.25 0.09 0.00 0.00 178.44 179.40 1y0w h LEU 101 N 0.27 0.96 -0.36 1.67 5.85 -1.31 -2.37 115.31 120.02 1y0w h LEU 101 Ca 0.03 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1y0w h LEU 101 Cb 0.82 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1y0w h LEU 101 CO 0.06 1.24 0.11 0.28 -0.34 0.00 0.00 178.44 179.80 1y0w h SER 102 N 0.69 0.10 -0.50 1.25 0.02 -1.02 -0.32 113.55 113.77 1y0w h SER 102 Ca 0.05 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1y0w h SER 102 Cb 0.99 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 1y0w h SER 102 CO 0.10 0.09 0.24 -0.74 -1.14 0.00 0.00 176.83 175.38 1y0w h HIS 103 N 0.25 0.44 -0.14 3.45 -0.00 -1.15 -1.46 115.15 116.55 1y0w h HIS 103 Ca 0.17 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 1y0w h HIS 103 Cb 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1y0w h HIS 103 CO -0.15 0.21 -0.19 0.00 -0.00 0.00 0.00 177.93 177.80 1y0w h LEU 105 N 0.21 1.01 -0.54 0.00 3.38 -0.55 -0.71 115.31 118.11 1y0w h LEU 105 Ca 0.04 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1y0w h LEU 105 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1y0w h LEU 105 CO 0.03 1.01 0.03 -0.07 0.09 0.00 0.00 178.44 179.53 1y0w h LEU 106 N 0.98 0.92 -0.60 1.67 3.38 -0.68 0.12 115.31 121.10 1y0w h LEU 106 Ca 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1y0w h LEU 106 Cb 0.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1y0w h LEU 106 CO 0.01 0.98 0.36 0.58 0.09 0.00 0.00 178.44 180.47 1y0w h VAL 107 N 0.82 1.18 -0.19 1.22 2.07 -1.08 0.19 116.25 120.46 1y0w h VAL 107 Ca 0.16 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1y0w h VAL 107 Cb 0.50 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1y0w h VAL 107 CO 0.02 0.18 0.09 0.74 0.02 0.00 0.00 177.57 178.63 1y0w h THR 108 N 0.81 1.13 -0.64 2.57 2.02 -0.68 -0.69 112.91 117.42 1y0w h THR 108 Ca 0.22 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1y0w h THR 108 Cb -0.02 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1y0w h THR 108 CO -0.04 0.12 0.31 -0.07 0.37 0.00 0.00 175.52 176.21 1y0w h LEU 109 N 0.18 0.84 -1.05 2.58 3.38 -0.52 -2.51 115.31 118.20 1y0w h LEU 109 Ca 0.06 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1y0w h LEU 109 Cb 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1y0w h LEU 109 CO -0.01 0.73 0.64 0.00 0.09 0.00 0.00 178.44 179.89 1y0w h ALA 110 N 1.14 1.34 0.00 1.53 0.00 -0.69 0.69 119.26 123.26 1y0w h ALA 110 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1y0w h ALA 110 Cb 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1y0w h ALA 110 CO -0.03 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 1y0w h ALA 111 N 1.42 1.08 0.00 0.00 0.00 -0.71 -3.30 119.26 117.74 1y0w h ALA 111 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1y0w h ALA 111 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1y0w h ALA 111 CO -0.10 0.09 -1.22 0.72 0.00 0.00 0.00 179.25 178.74 1y0w n HIS 112 N -3.29 0.00 -3.24 0.00 8.25 -0.71 -4.79 115.22 111.44 1y0w n HIS 112 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1y0w n HIS 112 Cb 0.27 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 1y0w n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y0w n LEU 113 N -1.69 4.02 0.13 2.41 4.32 0.15 -4.94 117.00 121.41 1y0w n LEU 113 Ca -0.01 -5.53 0.05 0.00 -0.02 0.00 0.00 56.01 50.50 1y0w n LEU 113 Cb 0.17 -0.62 0.51 0.00 -1.62 0.00 0.00 43.42 41.86 1y0w n LEU 113 CO 0.14 2.17 1.07 1.55 -1.22 0.00 0.00 177.39 181.10 1y0w h PRO 114 N 3.72 0.25 0.06 3.23 0.13 -1.83 -1.95 132.00 135.62 1y0w h PRO 114 Ca 0.17 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.99 1y0w h PRO 114 Cb 0.60 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1y0w h PRO 114 CO 0.83 0.21 -1.52 0.00 -0.23 0.00 0.00 178.00 177.30 1y0w h ALA 115 N 1.83 0.45 0.00 -0.56 0.00 -1.94 -3.36 119.26 115.68 1y0w h ALA 115 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1y0w h ALA 115 Cb 0.05 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y0w h ALA 115 CO -0.01 1.31 -0.49 1.05 0.00 0.00 0.00 179.25 181.11 1y0w h GLU 116 N 0.04 0.00 -2.88 0.00 9.09 -1.91 -3.40 114.58 115.51 1y0w h GLU 116 Ca -0.22 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.48 1y0w h GLU 116 Cb 1.97 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 29.02 1y0w h GLU 116 CO 0.13 0.00 3.13 0.34 0.05 0.00 0.00 179.01 182.66 1y0w n PHE 117 N -2.36 2.56 -1.59 2.06 7.35 -0.76 -4.74 117.46 119.98 1y0w n PHE 117 Ca 0.03 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 1y0w n PHE 117 Cb 0.47 -2.18 0.13 0.00 0.35 0.00 0.00 39.48 38.24 1y0w n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0w s THR 118 N 0.65 2.00 0.19 -2.13 -4.23 -1.26 -4.79 115.64 106.07 1y0w s THR 118 Ca 0.61 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.01 1y0w s THR 118 Cb 0.18 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.35 1y0w s THR 118 CO -0.07 0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.09 1y0w h PRO 119 N -1.43 0.34 -0.59 3.99 0.11 -1.99 -0.43 132.00 132.00 1y0w h PRO 119 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1y0w h PRO 119 Cb 1.33 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1y0w h PRO 119 CO 0.63 0.23 0.29 0.00 -0.21 0.00 0.00 178.00 178.93 1y0w h ALA 120 N 1.38 0.76 -0.44 -0.75 0.00 -1.96 -1.34 119.26 116.91 1y0w h ALA 120 Ca 0.27 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1y0w h ALA 120 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1y0w h ALA 120 CO -0.29 0.31 -0.16 0.28 0.00 0.00 0.00 179.25 179.40 1y0w h VAL 121 N 0.80 1.27 -0.55 0.00 2.07 -1.78 -1.21 116.25 116.86 1y0w h VAL 121 Ca 0.20 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.49 1y0w h VAL 121 Cb 0.11 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1y0w h VAL 121 CO -0.03 0.44 0.26 -0.74 0.02 0.00 0.00 177.57 177.53 1y0w h HIS 122 N 0.70 0.48 -0.32 1.57 6.17 -0.86 0.19 115.15 123.09 1y0w h HIS 122 Ca 0.10 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 1y0w h HIS 122 Cb 0.71 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 1y0w h HIS 122 CO 0.05 0.22 0.17 0.00 0.71 0.00 0.00 177.93 179.08 1y0w h ALA 123 N 1.31 0.41 -0.32 5.26 0.00 -0.91 -0.67 119.26 124.34 1y0w h ALA 123 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1y0w h ALA 123 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1y0w h ALA 123 CO -0.19 -0.05 -0.01 0.77 0.00 0.00 0.00 179.25 179.77 1y0w h SER 124 N 0.39 0.56 -0.71 0.00 0.02 -0.59 -2.01 113.55 111.20 1y0w h SER 124 Ca 0.11 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1y0w h SER 124 Cb 0.08 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1y0w h SER 124 CO -0.02 0.74 0.42 -0.07 -1.14 0.00 0.00 176.83 176.77 1y0w h LEU 125 N 0.37 0.66 -0.47 5.07 3.38 -0.51 -0.64 115.31 123.17 1y0w h LEU 125 Ca 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1y0w h LEU 125 Cb 0.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1y0w h LEU 125 CO 0.02 0.44 0.27 -0.78 0.09 0.00 0.00 178.44 178.48 1y0w h ASP 126 N 0.79 0.58 -0.74 -0.43 3.58 -0.95 -0.83 116.42 118.42 1y0w h ASP 126 Ca 0.31 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1y0w h ASP 126 Cb 0.13 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1y0w h ASP 126 CO -0.15 0.49 0.34 0.11 -2.88 0.00 0.00 179.24 177.14 1y0w h LYS 127 N 0.63 1.08 0.26 0.28 1.57 -1.07 -1.75 116.57 117.56 1y0w h LYS 127 Ca 0.17 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0w h LYS 127 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1y0w h LYS 127 CO -0.03 0.85 -0.27 0.35 -0.57 0.00 0.00 179.45 179.78 1y0w h PHE 128 N 1.04 -0.72 -0.58 -1.35 3.57 -0.80 -1.13 116.94 116.98 1y0w h PHE 128 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1y0w h PHE 128 Cb 0.15 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1y0w h PHE 128 CO 0.01 -0.39 0.34 -0.07 -2.23 0.00 0.00 178.31 175.97 1y0w h LEU 129 N -0.57 0.68 -0.90 0.59 3.38 -1.04 0.47 115.31 117.93 1y0w h LEU 129 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1y0w h LEU 129 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1y0w h LEU 129 CO -0.07 0.53 -0.02 0.00 0.09 0.00 0.00 178.44 178.97 1y0w h ALA 130 N 1.59 1.09 -0.36 1.53 0.00 -1.12 -0.72 119.26 121.26 1y0w h ALA 130 Ca 0.21 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1y0w h ALA 130 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1y0w h ALA 130 CO -0.04 0.57 -0.31 0.77 0.00 0.00 0.00 179.25 180.25 1y0w h SER 131 N 0.73 0.90 -0.32 0.00 0.02 -0.12 -1.29 113.55 113.47 1y0w h SER 131 Ca 0.14 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1y0w h SER 131 Cb 0.47 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1y0w h SER 131 CO 0.02 1.16 0.16 0.58 -1.14 0.00 0.00 176.83 177.61 1y0w h VAL 132 N 0.64 0.99 -0.98 2.27 2.07 -0.78 -1.37 116.25 119.10 1y0w h VAL 132 Ca 0.06 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1y0w h VAL 132 Cb 0.89 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1y0w h VAL 132 CO 0.08 0.06 0.65 0.28 0.02 0.00 0.00 177.57 178.66 1y0w h SER 133 N 0.33 1.10 -0.57 0.57 0.02 -1.05 -0.84 113.55 113.12 1y0w h SER 133 Ca 0.13 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1y0w h SER 133 Cb 0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1y0w h SER 133 CO -0.09 0.78 0.12 0.74 -1.14 0.00 0.00 176.83 177.25 1y0w h THR 134 N 1.30 1.25 -0.33 -2.27 2.02 -0.87 -2.62 112.91 111.39 1y0w h THR 134 Ca 0.37 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1y0w h THR 134 Cb -0.09 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1y0w h THR 134 CO -0.09 0.34 0.05 0.58 0.37 0.00 0.00 175.52 176.76 1y0w h VAL 135 N 0.82 1.24 0.00 3.16 2.07 -0.64 -1.07 116.25 121.83 1y0w h VAL 135 Ca 0.18 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1y0w h VAL 135 Cb 0.37 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1y0w h VAL 135 CO 0.00 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.80 1y0w h LEU 136 N 0.37 0.00 -1.07 2.57 3.38 -1.01 -2.02 115.31 117.53 1y0w h LEU 136 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1y0w h LEU 136 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y0w h LEU 136 CO 0.01 0.00 -0.03 0.41 0.09 0.00 0.00 178.44 178.92 1y0w n THR 137 N -2.31 0.00 0.27 0.22 -1.04 -1.00 -4.51 114.28 105.91 1y0w n THR 137 Ca 0.00 -0.48 0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1y0w n THR 137 Cb 0.14 1.11 0.78 0.00 -1.82 0.00 0.00 70.33 70.54 1y0w n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y0w h SER 138 N 1.00 0.00 -0.36 8.00 4.64 -0.42 -2.76 113.55 123.65 1y0w h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0w h SER 138 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1y0w h SER 138 CO 0.00 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1y0w n LYS 139 N -3.50 3.18 0.06 4.77 5.02 -1.26 -4.63 118.16 121.80 1y0w n LYS 139 Ca -0.02 -2.68 0.02 0.00 -2.02 0.00 0.00 58.31 53.61 1y0w n LYS 139 Cb 0.23 -1.74 0.36 0.00 -0.02 0.00 0.00 35.03 33.86 1y0w n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y0w h TYR 140 N 2.32 0.39 0.00 2.13 -1.99 -1.83 -3.47 116.97 114.53 1y0w h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1y0w h TYR 140 Cb 1.31 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1y0w h TYR 140 CO 0.51 0.42 0.00 2.89 -0.00 0.00 0.00 178.16 181.99