#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiw s LEU 2 N 0.00 4.25 0.81 7.52 1.43 -1.26 -5.07 118.68 126.37 1uiw s LEU 2 Ca 0.00 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 1uiw s LEU 2 Cb 0.00 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.92 1uiw s LEU 2 CO 0.00 -0.35 1.10 -0.94 0.23 0.00 0.00 176.35 176.39 1uiw s SER 3 N 1.06 4.38 0.25 2.29 1.04 -1.26 -4.89 113.70 116.56 1uiw s SER 3 Ca 0.44 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 58.09 1uiw s SER 3 Cb -0.18 -1.98 0.44 0.00 0.10 0.00 0.00 66.02 64.40 1uiw s SER 3 CO 0.18 -2.03 1.77 -0.65 0.98 0.00 0.00 173.24 173.48 1uiw h PRO 4 N -1.13 0.59 -0.71 4.02 0.11 -2.00 -2.12 132.00 130.74 1uiw h PRO 4 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1uiw h PRO 4 Cb 1.28 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1uiw h PRO 4 CO 0.60 0.39 0.19 0.00 -0.21 0.00 0.00 178.00 178.96 1uiw h ALA 5 N 1.50 0.94 -0.56 -0.75 0.00 -2.00 -2.39 119.26 116.00 1uiw h ALA 5 Ca 0.41 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1uiw h ALA 5 Cb 0.52 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1uiw h ALA 5 CO -0.33 0.65 0.26 -0.44 0.00 0.00 0.00 179.25 179.40 1uiw h ASP 6 N 1.07 0.35 -0.31 0.00 3.32 -1.79 -0.88 116.42 118.18 1uiw h ASP 6 Ca 0.23 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 1uiw h ASP 6 Cb 0.35 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1uiw h ASP 6 CO -0.00 0.23 -0.36 0.11 -1.72 0.00 0.00 179.24 177.50 1uiw h LYS 7 N 0.50 0.85 -0.37 3.56 1.57 -1.18 -1.07 116.57 120.42 1uiw h LYS 7 Ca 0.26 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1uiw h LYS 7 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1uiw h LYS 7 CO -0.21 1.07 0.11 1.15 -0.57 0.00 0.00 179.45 181.00 1uiw h THR 8 N 0.70 0.86 -0.57 -0.16 2.02 -1.25 -2.05 112.91 112.47 1uiw h THR 8 Ca 0.07 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1uiw h THR 8 Cb 0.92 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1uiw h THR 8 CO 0.09 0.05 0.20 0.78 0.37 0.00 0.00 175.52 177.00 1uiw h ASN 9 N 0.26 0.81 -0.27 4.18 2.35 -0.88 -2.00 115.58 120.03 1uiw h ASN 9 Ca 0.17 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1uiw h ASN 9 Cb 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1uiw h ASN 9 CO -0.19 0.78 -0.02 0.58 -1.65 0.00 0.00 177.43 176.93 1uiw h VAL 10 N 0.79 1.27 -0.77 2.81 2.07 -1.16 -1.86 116.25 119.39 1uiw h VAL 10 Ca 0.19 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1uiw h VAL 10 Cb 0.25 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1uiw h VAL 10 CO -0.01 0.31 0.51 0.11 0.02 0.00 0.00 177.57 178.50 1uiw h LYS 11 N 0.25 0.99 -0.36 1.57 1.57 -1.33 -0.89 116.57 118.37 1uiw h LYS 11 Ca 0.07 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1uiw h LYS 11 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1uiw h LYS 11 CO 0.02 0.65 -0.06 0.00 -0.57 0.00 0.00 179.45 179.49 1uiw h ALA 12 N 1.30 0.49 -0.14 3.86 0.00 -1.30 -1.31 119.26 122.16 1uiw h ALA 12 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1uiw h ALA 12 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uiw h ALA 12 CO -0.08 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.47 1uiw h ALA 13 N 0.83 0.18 -0.06 0.00 0.00 -1.22 -2.20 119.26 116.79 1uiw h ALA 13 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1uiw h ALA 13 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uiw h ALA 13 CO 0.03 -0.10 -0.34 2.35 0.00 0.00 0.00 179.25 181.19 1uiw h TRP 14 N -0.03 0.13 -0.84 0.00 2.91 -1.23 -2.41 115.95 114.47 1uiw h TRP 14 Ca 0.04 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.04 1uiw h TRP 14 Cb 0.40 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 1uiw h TRP 14 CO 0.04 0.45 0.56 0.78 -1.03 0.00 0.00 178.44 179.23 1uiw h GLY 15 N 1.08 1.18 1.39 2.65 0.00 -1.11 -2.67 103.07 105.59 1uiw h GLY 15 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1uiw h GLY 15 CO 0.05 0.43 -0.16 0.50 0.00 0.00 0.00 176.54 177.36 1uiw h LYS 16 N 1.14 0.72 -0.65 4.80 1.79 -1.04 -2.71 116.57 120.62 1uiw h LYS 16 Ca 0.31 -0.25 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1uiw h LYS 16 Cb -0.13 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.40 1uiw h LYS 16 CO -0.07 0.84 0.29 0.28 -1.08 0.00 0.00 179.45 179.71 1uiw h VAL 17 N 0.64 0.82 0.00 0.50 2.07 -1.16 -3.46 116.25 115.67 1uiw h VAL 17 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1uiw h VAL 17 Cb 0.63 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1uiw h VAL 17 CO 0.04 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1uiw n GLY 18 N -1.29 3.25 0.01 2.17 0.00 -1.02 -1.89 105.19 106.41 1uiw n GLY 18 Ca 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1uiw n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uiw n ALA 19 N 10.25 1.36 1.57 4.61 0.00 -1.26 -2.54 120.51 134.49 1uiw n ALA 19 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1uiw n ALA 19 Cb 0.00 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 18.83 1uiw n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uiw n HIS 20 N -1.54 0.09 -0.14 0.00 8.25 -0.79 -4.49 115.22 116.59 1uiw n HIS 20 Ca 0.02 -0.04 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1uiw n HIS 20 Cb 0.09 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.26 1uiw n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uiw h ALA 21 N 3.99 0.51 -0.58 -1.41 0.00 -1.65 -1.45 119.26 118.67 1uiw h ALA 21 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uiw h ALA 21 Cb 0.31 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1uiw h ALA 21 CO 0.00 -0.31 0.35 0.78 0.00 0.00 0.00 179.25 180.07 1uiw h GLY 22 N 0.23 0.85 0.56 0.00 0.00 -1.86 -1.05 103.07 101.80 1uiw h GLY 22 Ca 0.23 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.26 1uiw h GLY 22 CO -0.30 0.35 0.18 0.83 0.00 0.00 0.00 176.54 177.60 1uiw h GLU 23 N 0.79 0.35 -0.08 4.80 5.08 -1.76 -2.56 114.58 121.20 1uiw h GLU 23 Ca 0.21 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 1uiw h GLU 23 Cb -0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1uiw h GLU 23 CO -0.04 0.23 -0.61 1.88 -1.00 0.00 0.00 179.01 179.47 1uiw h TYR 24 N 0.36 0.34 -0.54 4.33 0.05 -0.93 -2.11 116.97 118.48 1uiw h TYR 24 Ca 0.23 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1uiw h TYR 24 Cb 0.23 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1uiw h TYR 24 CO -0.16 0.80 0.30 0.78 -1.05 0.00 0.00 178.16 178.84 1uiw h GLY 25 N 1.44 0.80 1.00 3.88 0.00 -1.04 -1.00 103.07 108.15 1uiw h GLY 25 Ca -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1uiw h GLY 25 CO 0.10 0.34 0.24 0.00 0.00 0.00 0.00 176.54 177.22 1uiw h ALA 26 N 1.14 0.81 -0.59 3.60 0.00 -1.32 -2.50 119.26 120.40 1uiw h ALA 26 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1uiw h ALA 26 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 26 CO -0.03 0.43 0.24 1.49 0.00 0.00 0.00 179.25 181.37 1uiw h GLU 27 N 0.87 0.89 -0.80 0.00 4.81 -1.25 -1.97 114.58 117.12 1uiw h GLU 27 Ca 0.21 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1uiw h GLU 27 Cb 0.21 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1uiw h GLU 27 CO -0.02 0.76 0.52 0.00 -0.73 0.00 0.00 179.01 179.54 1uiw h ALA 28 N 1.09 1.05 -0.50 2.92 0.00 -1.09 -1.13 119.26 121.60 1uiw h ALA 28 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 28 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1uiw h ALA 28 CO -0.02 0.35 0.27 -0.07 0.00 0.00 0.00 179.25 179.78 1uiw h LEU 29 N 1.01 0.63 -0.47 0.00 3.38 -1.29 -1.78 115.31 116.79 1uiw h LEU 29 Ca 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1uiw h LEU 29 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1uiw h LEU 29 CO -0.11 0.54 0.27 -0.08 0.09 0.00 0.00 178.44 179.15 1uiw h GLU 30 N 0.66 0.64 -0.89 1.13 4.81 -1.05 -1.41 114.58 118.47 1uiw h GLU 30 Ca 0.18 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1uiw h GLU 30 Cb 0.06 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1uiw h GLU 30 CO -0.03 0.49 0.57 0.00 -0.73 0.00 0.00 179.01 179.31 1uiw h ARG 31 N 0.62 1.04 -0.06 1.92 3.08 -1.10 -1.94 114.38 117.94 1uiw h ARG 31 Ca 0.17 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1uiw h ARG 31 Cb 0.02 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1uiw h ARG 31 CO -0.03 0.69 0.04 1.98 -1.07 0.00 0.00 179.97 181.57 1uiw h MET 32 N 1.07 0.09 -0.59 0.04 4.05 -0.86 -0.93 114.93 117.79 1uiw h MET 32 Ca 0.37 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 1uiw h MET 32 Cb 0.09 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1uiw h MET 32 CO -0.15 0.12 0.25 0.74 0.23 0.00 0.00 176.91 178.09 1uiw h PHE 33 N 0.03 0.86 0.04 1.39 0.04 -1.02 0.13 116.94 118.40 1uiw h PHE 33 Ca 0.02 -0.04 -0.27 0.00 2.80 0.00 0.00 57.97 60.48 1uiw h PHE 33 Cb 0.05 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 37.96 1uiw h PHE 33 CO -0.05 0.66 -1.10 -0.07 -0.60 0.00 0.00 178.31 177.14 1uiw h LEU 34 N 0.85 0.87 0.04 1.54 3.38 -1.33 -3.31 115.31 117.34 1uiw h LEU 34 Ca 0.20 -0.73 -0.26 0.00 0.09 0.00 0.00 57.88 57.18 1uiw h LEU 34 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1uiw h LEU 34 CO -0.02 1.53 -1.37 0.28 0.09 0.00 0.00 178.44 178.95 1uiw h SER 35 N 0.34 0.12 -2.42 -0.43 0.02 -1.05 -3.41 113.55 106.73 1uiw h SER 35 Ca -0.14 -0.17 -0.59 0.00 -0.84 0.00 0.00 61.79 60.04 1uiw h SER 35 Cb 1.76 -0.04 -0.40 0.00 0.14 0.00 0.00 62.40 63.85 1uiw h SER 35 CO 0.21 1.14 -0.82 0.49 -1.14 0.00 0.00 176.83 176.72 1uiw n PHE 36 N -3.30 1.34 0.22 3.45 3.72 0.02 -5.01 117.46 117.90 1uiw n PHE 36 Ca -0.10 -3.82 0.17 0.00 -0.05 0.00 0.00 57.45 53.65 1uiw n PHE 36 Cb 1.00 -0.30 0.85 0.00 -0.94 0.00 0.00 39.48 40.09 1uiw n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1uiw h PRO 37 N 4.84 0.00 -0.05 -1.08 0.11 -1.76 -1.61 132.00 132.45 1uiw h PRO 37 Ca 0.17 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.30 1uiw h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1uiw h PRO 37 CO 0.59 0.00 0.07 1.79 -0.21 0.00 0.00 178.00 180.24 1uiw h THR 38 N 0.00 0.40 0.00 -1.15 1.35 -1.92 -1.83 112.91 109.76 1uiw h THR 38 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1uiw h THR 38 Cb 0.47 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1uiw h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1uiw h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.62 -2.64 112.91 116.81 1uiw h THR 39 Ca 0.03 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1uiw h THR 39 Cb 0.17 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1uiw h THR 39 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1uiw h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.98 116.57 118.35 1uiw h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uiw h LYS 40 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1uiw h LYS 40 CO 0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1uiw h THR 41 N 0.00 0.11 -0.01 -0.16 1.35 -1.66 -2.00 112.91 110.54 1uiw h THR 41 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1uiw h THR 41 Cb 0.31 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1uiw h THR 41 CO 0.00 0.00 -0.20 -1.22 -0.25 0.00 0.00 175.52 173.85 1uiw n TYR 42 N -3.23 0.00 -2.67 4.73 4.01 -1.13 -4.38 117.16 114.49 1uiw n TYR 42 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1uiw n TYR 42 Cb 0.09 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1uiw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1uiw n PHE 43 N -0.69 2.26 0.32 -0.72 3.01 -0.75 -4.91 117.46 115.98 1uiw n PHE 43 Ca 0.13 -3.16 0.13 0.00 1.01 0.00 0.00 57.45 55.56 1uiw n PHE 43 Cb 0.33 -0.28 0.57 0.00 -0.01 0.00 0.00 39.48 40.09 1uiw n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uiw h PRO 44 N 2.83 0.00 -0.02 -1.08 0.13 -1.77 -2.53 132.00 129.57 1uiw h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1uiw h PRO 44 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1uiw h PRO 44 CO 0.67 0.00 -0.28 -2.39 -0.23 0.00 0.00 178.00 175.78 1uiw n HIS 45 N -2.37 0.00 -3.72 1.56 1.44 -1.26 -4.97 115.22 105.89 1uiw n HIS 45 Ca 0.01 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.36 1uiw n HIS 45 Cb 0.18 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 1uiw n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1uiw s PHE 46 N -2.32 3.61 -0.08 -1.40 0.40 -0.96 -5.07 117.98 112.17 1uiw s PHE 46 Ca 0.24 0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 56.93 1uiw s PHE 46 Cb 0.19 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1uiw s PHE 46 CO 0.48 0.64 1.43 0.34 0.70 0.00 0.00 175.22 178.81 1uiw s ASP 47 N -1.45 6.83 0.00 1.36 2.15 -1.26 -4.94 116.67 119.36 1uiw s ASP 47 Ca 0.25 2.00 0.16 0.00 0.43 0.00 0.00 52.55 55.39 1uiw s ASP 47 Cb -0.14 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.87 1uiw s ASP 47 CO 0.13 -0.80 0.80 0.18 -0.17 0.00 0.00 175.17 175.31 1uiw n LEU 48 N 6.38 1.31 -4.83 -1.34 4.77 -1.26 -4.49 117.00 117.54 1uiw n LEU 48 Ca 0.15 -0.66 -0.30 0.00 -0.03 0.00 0.00 56.01 55.17 1uiw n LEU 48 Cb 0.44 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1uiw n LEU 48 CO 0.59 0.27 0.73 -0.44 -1.33 0.00 0.00 177.39 177.20 1uiw s SER 49 N -2.18 4.84 0.21 -1.43 0.01 -1.26 -4.92 113.70 108.97 1uiw s SER 49 Ca 0.11 1.24 -0.32 0.00 1.31 0.00 0.00 55.95 58.29 1uiw s SER 49 Cb 0.13 -2.00 -0.14 0.00 0.21 0.00 0.00 66.02 64.22 1uiw s SER 49 CO 0.52 -1.74 1.32 1.57 0.41 0.00 0.00 173.24 175.32 1uiw n HIS 50 N -3.28 1.83 -0.69 2.43 -0.00 -1.26 -2.34 115.22 111.91 1uiw n HIS 50 Ca 0.07 0.52 0.00 0.00 0.46 0.00 0.00 57.72 58.77 1uiw n HIS 50 Cb 0.57 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 1uiw n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1uiw n GLY 51 N 2.16 0.63 3.71 1.57 0.00 -1.26 -5.04 105.19 106.95 1uiw n GLY 51 Ca 0.13 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1uiw n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uiw s SER 52 N -2.26 6.70 0.26 1.61 0.15 -0.99 -4.94 113.70 114.23 1uiw s SER 52 Ca 0.00 2.43 -0.04 0.00 0.70 0.00 0.00 55.95 59.04 1uiw s SER 52 Cb 0.00 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 62.04 1uiw s SER 52 CO 0.00 -0.76 1.83 0.00 1.20 0.00 0.00 173.24 175.51 1uiw h ALA 53 N 7.22 1.18 -0.40 5.45 0.00 -1.91 -2.31 119.26 128.48 1uiw h ALA 53 Ca -0.42 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 1uiw h ALA 53 Cb 1.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1uiw h ALA 53 CO 0.90 0.59 -0.26 1.96 0.00 0.00 0.00 179.25 182.44 1uiw h GLN 54 N 0.99 0.88 -0.49 0.00 4.20 -1.92 -2.27 115.11 116.51 1uiw h GLN 54 Ca 0.23 -0.42 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1uiw h GLN 54 Cb 0.20 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1uiw h GLN 54 CO -0.02 1.06 -0.08 0.28 -0.67 0.00 0.00 178.83 179.40 1uiw h VAL 55 N 0.70 1.26 -0.38 -0.54 2.07 -1.77 -1.69 116.25 115.90 1uiw h VAL 55 Ca 0.08 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1uiw h VAL 55 Cb 0.84 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1uiw h VAL 55 CO 0.07 0.41 0.18 0.11 0.02 0.00 0.00 177.57 178.37 1uiw h LYS 56 N 0.80 0.54 -0.63 1.57 1.57 -1.34 -0.90 116.57 118.18 1uiw h LYS 56 Ca 0.14 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1uiw h LYS 56 Cb 0.60 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1uiw h LYS 56 CO 0.04 0.48 0.17 0.78 -0.57 0.00 0.00 179.45 180.34 1uiw h GLY 57 N 0.47 1.07 1.08 3.86 0.00 -1.33 -2.70 103.07 105.53 1uiw h GLY 57 Ca 0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1uiw h GLY 57 CO -0.02 0.62 -0.11 0.84 0.00 0.00 0.00 176.54 177.87 1uiw h HIS 58 N 0.91 1.13 -0.85 5.60 -0.00 -1.21 -3.00 115.15 117.74 1uiw h HIS 58 Ca 0.20 -0.24 0.07 0.00 -0.00 0.00 0.00 60.37 60.40 1uiw h HIS 58 Cb 0.34 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.41 1uiw h HIS 58 CO 0.02 1.05 0.52 0.78 -0.00 0.00 0.00 177.93 180.31 1uiw h GLY 59 N 0.88 1.28 0.99 5.26 0.00 -1.06 -1.36 103.07 109.06 1uiw h GLY 59 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1uiw h GLY 59 CO 0.05 0.24 0.33 1.70 0.00 0.00 0.00 176.54 178.86 1uiw h LYS 60 N 0.94 0.77 -0.43 4.80 1.63 -1.41 -1.82 116.57 121.05 1uiw h LYS 60 Ca 0.38 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1uiw h LYS 60 Cb 0.20 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1uiw h LYS 60 CO -0.18 0.57 0.19 0.87 -3.45 0.00 0.00 179.45 177.44 1uiw h LYS 61 N 0.76 0.64 -0.21 1.90 1.57 -1.30 -1.38 116.57 118.54 1uiw h LYS 61 Ca 0.20 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1uiw h LYS 61 Cb 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1uiw h LYS 61 CO -0.04 0.57 -0.03 0.28 -0.57 0.00 0.00 179.45 179.67 1uiw h VAL 62 N 0.55 0.81 -0.60 0.50 2.07 -1.17 -2.02 116.25 116.39 1uiw h VAL 62 Ca 0.15 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1uiw h VAL 62 Cb 0.16 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1uiw h VAL 62 CO -0.01 0.01 0.37 0.00 0.02 0.00 0.00 177.57 177.96 1uiw h ALA 63 N 1.20 0.78 -0.60 1.67 0.00 -1.25 -2.07 119.26 118.99 1uiw h ALA 63 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1uiw h ALA 63 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1uiw h ALA 63 CO -0.20 0.12 0.19 -0.44 0.00 0.00 0.00 179.25 178.92 1uiw h ASP 64 N 0.74 0.84 -0.58 0.00 3.32 -1.07 -1.09 116.42 118.58 1uiw h ASP 64 Ca 0.24 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1uiw h ASP 64 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1uiw h ASP 64 CO -0.09 0.79 0.05 0.00 -1.72 0.00 0.00 179.24 178.26 1uiw h ALA 65 N 1.33 0.95 -0.54 3.45 0.00 -0.99 -2.14 119.26 121.32 1uiw h ALA 65 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1uiw h ALA 65 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1uiw h ALA 65 CO -0.01 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.80 1uiw h LEU 66 N 0.95 0.90 -0.61 0.00 3.38 -0.96 -1.58 115.31 117.39 1uiw h LEU 66 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1uiw h LEU 66 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1uiw h LEU 66 CO 0.02 0.97 0.36 0.74 0.09 0.00 0.00 178.44 180.61 1uiw h THR 67 N 0.85 1.18 -0.63 0.22 2.02 -1.03 -1.45 112.91 114.08 1uiw h THR 67 Ca 0.16 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1uiw h THR 67 Cb 0.52 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1uiw h THR 67 CO 0.03 0.19 0.29 -1.13 0.37 0.00 0.00 175.52 175.27 1uiw h ASN 68 N 0.82 0.84 -1.00 4.18 -1.24 -1.22 -1.82 115.58 116.12 1uiw h ASN 68 Ca 0.22 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1uiw h ASN 68 Cb -0.00 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.78 1uiw h ASN 68 CO -0.04 0.74 0.66 0.00 -1.29 0.00 0.00 177.43 177.51 1uiw h ALA 69 N 1.13 1.31 -0.51 1.57 0.00 -0.98 -1.59 119.26 120.19 1uiw h ALA 69 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1uiw h ALA 69 Cb 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uiw h ALA 69 CO -0.03 0.62 0.14 0.28 0.00 0.00 0.00 179.25 180.26 1uiw h VAL 70 N 1.32 1.24 -0.08 0.00 2.07 -1.00 -1.55 116.25 118.25 1uiw h VAL 70 Ca 0.38 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1uiw h VAL 70 Cb -0.09 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1uiw h VAL 70 CO -0.10 0.30 -0.07 0.00 0.02 0.00 0.00 177.57 177.72 1uiw h ALA 71 N 1.00 1.74 -1.04 1.67 0.00 -1.04 -3.08 119.26 118.52 1uiw h ALA 71 Ca 0.16 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.37 1uiw h ALA 71 Cb 0.31 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.65 1uiw h ALA 71 CO -0.00 0.19 -0.51 0.72 0.00 0.00 0.00 179.25 179.65 1uiw n HIS 72 N -4.39 3.03 0.32 0.00 8.25 -0.62 -4.90 115.22 116.91 1uiw n HIS 72 Ca -0.02 -2.60 0.19 0.00 -0.26 0.00 0.00 57.72 55.04 1uiw n HIS 72 Cb 0.19 -0.41 1.08 0.00 1.12 0.00 0.00 29.99 31.96 1uiw n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1uiw h VAL 73 N 2.19 0.23 -0.43 1.59 3.04 -1.19 -0.74 116.25 120.94 1uiw h VAL 73 Ca 0.38 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 1uiw h VAL 73 Cb 1.17 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1uiw h VAL 73 CO 0.91 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.94 1uiw n ASP 74 N -3.40 3.10 -2.60 3.17 8.00 -1.26 -4.39 116.55 119.16 1uiw n ASP 74 Ca -0.03 -1.95 -0.01 0.00 0.71 0.00 0.00 54.79 53.51 1uiw n ASP 74 Cb 0.08 -0.28 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1uiw n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uiw n ASP 75 N 1.23 0.16 -0.21 -2.24 2.03 -0.30 -4.99 116.55 112.23 1uiw n ASP 75 Ca 0.19 -2.10 0.02 0.00 0.52 0.00 0.00 54.79 53.42 1uiw n ASP 75 Cb 0.53 0.05 0.27 0.00 -0.72 0.00 0.00 41.12 41.25 1uiw n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1uiw h MET 76 N 1.73 0.94 -0.64 -0.67 2.86 -1.71 -2.06 114.93 115.37 1uiw h MET 76 Ca -0.29 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1uiw h MET 76 Cb 1.33 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1uiw h MET 76 CO 0.00 0.62 0.43 -1.35 1.06 0.00 0.00 176.91 177.67 1uiw h PRO 77 N 0.97 0.42 0.15 -0.22 0.11 -1.94 -1.92 132.00 129.56 1uiw h PRO 77 Ca 0.28 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 66.01 1uiw h PRO 77 Cb -0.04 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 1uiw h PRO 77 CO -0.07 0.28 -1.87 -0.91 -0.21 0.00 0.00 178.00 175.21 1uiw h ASN 78 N 0.43 0.51 -0.21 -2.05 4.21 -1.88 -3.26 115.58 113.32 1uiw h ASN 78 Ca 0.30 -0.92 -0.02 0.00 1.21 0.00 0.00 56.30 56.87 1uiw h ASN 78 Cb 0.60 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1uiw h ASN 78 CO -0.09 1.81 0.09 0.00 -1.29 0.00 0.00 177.43 177.95 1uiw h ALA 79 N 0.12 1.64 -0.50 -0.83 0.00 -1.26 -2.71 119.26 115.72 1uiw h ALA 79 Ca -0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1uiw h ALA 79 Cb 2.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1uiw h ALA 79 CO 0.13 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1uiw n LEU 80 N -4.40 5.12 -0.19 0.00 4.77 -0.73 -4.74 117.00 116.83 1uiw n LEU 80 Ca 0.01 -2.89 -0.07 0.00 -0.03 0.00 0.00 56.01 53.03 1uiw n LEU 80 Cb 0.15 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1uiw n LEU 80 CO 0.36 0.66 1.07 0.77 -1.33 0.00 0.00 177.39 178.93 1uiw h SER 81 N 3.42 0.64 -0.56 -1.43 4.64 -1.52 -0.97 113.55 117.77 1uiw h SER 81 Ca 0.00 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1uiw h SER 81 Cb 1.77 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 1uiw h SER 81 CO 0.39 0.50 0.08 0.00 -0.87 0.00 0.00 176.83 176.93 1uiw h ALA 82 N 1.17 1.01 -0.35 5.18 0.00 -1.85 -1.79 119.26 122.62 1uiw h ALA 82 Ca 0.19 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1uiw h ALA 82 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1uiw h ALA 82 CO -0.04 0.63 -0.31 1.25 0.00 0.00 0.00 179.25 180.78 1uiw h LEU 83 N 0.92 0.79 -0.80 0.00 5.85 -1.83 -1.81 115.31 118.44 1uiw h LEU 83 Ca 0.18 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1uiw h LEU 83 Cb 0.43 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1uiw h LEU 83 CO 0.01 1.04 0.06 0.77 -0.34 0.00 0.00 178.44 179.99 1uiw h SER 84 N 0.65 0.93 -0.52 1.25 4.64 -1.02 -2.24 113.55 117.23 1uiw h SER 84 Ca 0.07 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1uiw h SER 84 Cb 0.84 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1uiw h SER 84 CO 0.07 0.95 0.34 0.44 -0.87 0.00 0.00 176.83 177.76 1uiw h ASP 85 N 0.91 0.58 -0.34 4.97 3.32 -1.13 -2.06 116.42 122.66 1uiw h ASP 85 Ca 0.18 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1uiw h ASP 85 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1uiw h ASP 85 CO 0.02 0.42 0.16 0.25 -1.72 0.00 0.00 179.24 178.36 1uiw h LEU 86 N 0.69 0.45 -0.41 1.55 5.85 -1.14 -1.29 115.31 121.00 1uiw h LEU 86 Ca 0.19 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 1uiw h LEU 86 Cb -0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1uiw h LEU 86 CO -0.05 0.46 -0.35 0.45 -0.34 0.00 0.00 178.44 178.61 1uiw h HIS 87 N 0.41 1.13 -0.49 1.25 3.86 -1.40 -2.10 115.15 117.82 1uiw h HIS 87 Ca 0.12 -0.33 -0.09 0.00 -1.16 0.00 0.00 60.37 58.91 1uiw h HIS 87 Cb 0.14 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1uiw h HIS 87 CO -0.01 1.16 -0.04 0.00 0.86 0.00 0.00 177.93 179.90 1uiw h ALA 88 N 0.80 0.66 0.00 2.45 0.00 -1.25 0.95 119.26 122.87 1uiw h ALA 88 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1uiw h ALA 88 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1uiw h ALA 88 CO 0.09 0.50 -1.90 0.72 0.00 0.00 0.00 179.25 178.66 1uiw n HIS 89 N -4.29 0.00 0.01 0.00 8.25 -0.50 -4.62 115.22 114.06 1uiw n HIS 89 Ca 0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1uiw n HIS 89 Cb 0.34 -0.53 -0.00 0.00 1.12 0.00 0.00 29.99 30.92 1uiw n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uiw n LYS 90 N -2.26 0.02 -0.12 -0.41 4.76 -0.86 -4.89 118.16 114.40 1uiw n LYS 90 Ca -0.10 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 1uiw n LYS 90 Cb 0.63 -0.21 -0.02 0.00 -1.84 0.00 0.00 35.03 33.59 1uiw n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1uiw h LEU 91 N -0.04 0.49 -0.72 -0.35 3.38 -1.52 -3.47 115.31 113.08 1uiw h LEU 91 Ca 0.00 -0.17 -0.42 0.00 0.09 0.00 0.00 57.88 57.38 1uiw h LEU 91 Cb 0.04 -0.13 0.08 0.00 0.09 0.00 0.00 40.66 40.74 1uiw h LEU 91 CO 0.00 0.53 -0.69 0.54 0.09 0.00 0.00 178.44 178.91 1uiw n ARG 92 N -4.68 -7.03 -1.98 1.13 1.74 0.33 -4.95 116.66 101.22 1uiw n ARG 92 Ca -0.01 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 1uiw n ARG 92 Cb 0.14 -5.76 -0.03 0.00 -1.02 0.00 0.00 32.46 25.79 1uiw n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uiw s VAL 93 N -3.30 2.94 0.27 1.55 1.01 -1.26 -4.95 120.40 116.65 1uiw s VAL 93 Ca 0.59 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 1uiw s VAL 93 Cb -0.27 -3.36 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 1uiw s VAL 93 CO 0.73 0.02 1.53 -0.67 0.00 0.00 0.00 175.10 176.71 1uiw n ASP 94 N 4.70 3.44 -0.17 3.32 -0.08 -1.26 -4.86 116.55 121.65 1uiw n ASP 94 Ca 0.14 1.14 0.29 0.00 -1.51 0.00 0.00 54.79 54.85 1uiw n ASP 94 Cb 0.40 -1.53 0.72 0.00 2.34 0.00 0.00 41.12 43.05 1uiw n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uiw h PRO 95 N 4.69 0.00 -0.02 -0.67 0.11 -2.00 -2.12 132.00 131.99 1uiw h PRO 95 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1uiw h PRO 95 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1uiw h PRO 95 CO 0.79 0.00 0.03 -0.39 -0.21 0.00 0.00 178.00 178.22 1uiw h VAL 96 N 0.00 0.46 0.00 3.15 -1.51 -2.04 -2.93 116.25 113.38 1uiw h VAL 96 Ca 0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.84 1uiw h VAL 96 Cb 1.88 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1uiw h VAL 96 CO -0.00 0.00 -0.24 0.78 -1.23 0.00 0.00 177.57 176.87 1uiw h ASN 97 N 0.00 0.00 -0.22 4.19 4.21 -1.74 -3.26 115.58 118.76 1uiw h ASN 97 Ca 0.01 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 1uiw h ASN 97 Cb 0.08 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1uiw h ASN 97 CO -0.00 0.24 0.02 -0.26 -1.29 0.00 0.00 177.43 176.14 1uiw h PHE 98 N 0.00 0.50 -0.08 1.19 -1.00 -1.72 -1.93 116.94 113.91 1uiw h PHE 98 Ca -0.00 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1uiw h PHE 98 Cb 0.92 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1uiw h PHE 98 CO 0.00 0.49 -0.18 0.87 -1.61 0.00 0.00 178.31 177.87 1uiw h LYS 99 N 0.48 0.13 -0.07 1.51 1.57 -1.77 -1.34 116.57 117.08 1uiw h LYS 99 Ca 0.11 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1uiw h LYS 99 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1uiw h LYS 99 CO 0.01 0.31 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.92 1uiw h LEU 100 N 0.12 0.31 -0.69 2.94 3.38 -1.51 -1.87 115.31 117.99 1uiw h LEU 100 Ca 0.02 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 1uiw h LEU 100 Cb 0.40 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1uiw h LEU 100 CO 0.03 0.86 0.19 0.25 0.09 0.00 0.00 178.44 179.86 1uiw h LEU 101 N -0.22 1.02 -0.48 1.67 5.85 -1.44 -2.43 115.31 119.28 1uiw h LEU 101 Ca -0.01 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1uiw h LEU 101 Cb 0.83 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1uiw h LEU 101 CO 0.05 0.97 0.29 0.28 -0.34 0.00 0.00 178.44 179.69 1uiw h SER 102 N 1.02 0.49 -0.74 1.25 0.02 -1.22 -0.59 113.55 113.77 1uiw h SER 102 Ca 0.22 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1uiw h SER 102 Cb 0.33 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1uiw h SER 102 CO -0.00 0.35 0.49 -0.74 -1.14 0.00 0.00 176.83 175.78 1uiw h HIS 103 N 0.59 0.93 -0.23 3.45 -0.00 -1.25 -1.91 115.15 116.72 1uiw h HIS 103 Ca 0.19 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 1uiw h HIS 103 Cb -0.01 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1uiw h HIS 103 CO -0.06 0.58 -0.22 0.00 -0.00 0.00 0.00 177.93 178.23 1uiw h LEU 105 N 0.38 0.66 -0.31 0.00 3.38 -0.84 -1.93 115.31 116.64 1uiw h LEU 105 Ca 0.06 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1uiw h LEU 105 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1uiw h LEU 105 CO 0.04 0.68 0.17 -0.07 0.09 0.00 0.00 178.44 179.35 1uiw h LEU 106 N 0.62 0.26 -0.60 1.67 3.38 -1.01 -1.44 115.31 118.19 1uiw h LEU 106 Ca 0.15 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1uiw h LEU 106 Cb 0.24 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1uiw h LEU 106 CO -0.01 0.19 0.38 0.58 0.09 0.00 0.00 178.44 179.68 1uiw h VAL 107 N 0.35 1.11 -0.24 1.22 2.07 -1.19 -0.58 116.25 118.99 1uiw h VAL 107 Ca 0.13 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1uiw h VAL 107 Cb 0.02 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1uiw h VAL 107 CO -0.07 0.14 0.12 0.74 0.02 0.00 0.00 177.57 178.52 1uiw h THR 108 N 0.77 1.00 -0.60 2.57 2.02 -1.15 -1.84 112.91 115.67 1uiw h THR 108 Ca 0.23 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1uiw h THR 108 Cb -0.03 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1uiw h THR 108 CO -0.08 0.05 0.33 -0.07 0.37 0.00 0.00 175.52 176.12 1uiw h LEU 109 N 0.26 0.74 -0.72 2.58 3.38 -1.01 -2.72 115.31 117.81 1uiw h LEU 109 Ca 0.10 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1uiw h LEU 109 Cb 0.02 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1uiw h LEU 109 CO -0.07 0.61 0.41 0.00 0.09 0.00 0.00 178.44 179.49 1uiw h ALA 110 N 1.16 0.98 0.00 1.53 0.00 -0.92 -0.87 119.26 121.14 1uiw h ALA 110 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1uiw h ALA 110 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uiw h ALA 110 CO -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 1uiw h ALA 111 N 1.38 1.04 -0.00 0.00 0.00 -1.04 -3.26 119.26 117.38 1uiw h ALA 111 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1uiw h ALA 111 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uiw h ALA 111 CO -0.20 0.04 -0.33 0.72 0.00 0.00 0.00 179.25 179.49 1uiw n HIS 112 N -3.18 0.00 -3.22 0.00 -0.00 -0.97 -4.84 115.22 103.01 1uiw n HIS 112 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.45 1uiw n HIS 112 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.18 1uiw n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1uiw n LEU 113 N -0.93 3.53 -0.20 2.41 4.77 -0.37 -4.96 117.00 121.25 1uiw n LEU 113 Ca 0.02 -5.44 -0.00 0.00 -0.03 0.00 0.00 56.01 50.56 1uiw n LEU 113 Cb 0.15 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1uiw n LEU 113 CO 0.15 2.18 1.00 1.55 -1.33 0.00 0.00 177.39 180.94 1uiw h PRO 114 N 3.68 0.44 0.01 3.23 0.13 -1.87 -2.25 132.00 135.37 1uiw h PRO 114 Ca 0.16 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 1uiw h PRO 114 Cb 0.64 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.69 1uiw h PRO 114 CO 0.78 0.29 -0.58 0.00 -0.23 0.00 0.00 178.00 178.26 1uiw h ALA 115 N 1.40 0.06 0.00 -0.56 0.00 -1.96 -3.39 119.26 114.81 1uiw h ALA 115 Ca 0.30 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1uiw h ALA 115 Cb 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1uiw h ALA 115 CO -0.28 0.33 -0.66 1.49 0.00 0.00 0.00 179.25 180.13 1uiw h GLU 116 N -0.16 0.00 -3.12 0.00 4.57 -1.95 -3.39 114.58 110.54 1uiw h GLU 116 Ca -0.08 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.39 1uiw h GLU 116 Cb 1.31 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 1uiw h GLU 116 CO 0.11 0.66 2.97 0.34 -1.18 0.00 0.00 179.01 181.92 1uiw n PHE 117 N -3.45 2.74 -1.37 0.92 7.35 -0.86 -4.76 117.46 118.03 1uiw n PHE 117 Ca 0.00 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 1uiw n PHE 117 Cb 0.73 -2.20 0.13 0.00 0.35 0.00 0.00 39.48 38.49 1uiw n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uiw s THR 118 N 0.95 2.56 0.22 -2.13 -4.23 -1.26 -4.79 115.64 106.96 1uiw s THR 118 Ca 0.56 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 1uiw s THR 118 Cb 0.16 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 71.37 1uiw s THR 118 CO -0.07 -0.24 1.72 -0.65 -0.54 0.00 0.00 174.62 174.84 1uiw h PRO 119 N -1.46 0.31 -0.82 3.99 0.11 -1.99 -0.95 132.00 131.18 1uiw h PRO 119 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1uiw h PRO 119 Cb 1.30 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1uiw h PRO 119 CO 0.58 0.20 0.45 0.00 -0.21 0.00 0.00 178.00 179.02 1uiw h ALA 120 N 1.48 1.05 -0.29 -0.75 0.00 -1.97 -1.80 119.26 116.99 1uiw h ALA 120 Ca 0.33 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1uiw h ALA 120 Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1uiw h ALA 120 CO -0.39 0.56 -0.23 0.28 0.00 0.00 0.00 179.25 179.48 1uiw h VAL 121 N 1.14 1.30 -0.41 0.00 2.07 -1.78 -2.07 116.25 116.50 1uiw h VAL 121 Ca 0.29 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1uiw h VAL 121 Cb 0.03 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 1uiw h VAL 121 CO -0.05 0.44 -0.15 -0.74 0.02 0.00 0.00 177.57 177.10 1uiw h HIS 122 N 0.41 -0.34 -0.51 1.57 6.17 -1.08 -0.34 115.15 121.03 1uiw h HIS 122 Ca 0.05 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.21 1uiw h HIS 122 Cb 0.79 0.21 -0.04 0.00 2.52 0.00 0.00 27.41 30.89 1uiw h HIS 122 CO 0.07 -0.23 0.28 0.00 0.71 0.00 0.00 177.93 178.77 1uiw h ALA 123 N 1.30 0.65 -0.43 5.26 0.00 -1.15 -1.69 119.26 123.21 1uiw h ALA 123 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 123 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uiw h ALA 123 CO -0.46 -0.04 0.06 0.77 0.00 0.00 0.00 179.25 179.59 1uiw h SER 124 N 0.56 0.68 -0.73 0.00 0.02 -0.94 -2.22 113.55 110.92 1uiw h SER 124 Ca 0.21 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1uiw h SER 124 Cb 0.08 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1uiw h SER 124 CO -0.12 0.78 0.29 -0.07 -1.14 0.00 0.00 176.83 176.57 1uiw h LEU 125 N 0.56 1.01 -0.40 5.07 3.38 -0.97 -1.02 115.31 122.95 1uiw h LEU 125 Ca 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1uiw h LEU 125 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1uiw h LEU 125 CO 0.01 0.90 0.15 -0.78 0.09 0.00 0.00 178.44 178.81 1uiw h ASP 126 N 1.08 0.57 -0.59 -0.43 3.58 -1.15 -1.41 116.42 118.07 1uiw h ASP 126 Ca 0.25 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1uiw h ASP 126 Cb 0.21 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1uiw h ASP 126 CO -0.02 0.59 0.33 0.11 -2.88 0.00 0.00 179.24 177.37 1uiw h LYS 127 N 0.51 0.82 -0.15 0.28 1.57 -1.22 -1.87 116.57 116.50 1uiw h LYS 127 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1uiw h LYS 127 Cb 0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1uiw h LYS 127 CO -0.01 0.62 -0.01 0.35 -0.57 0.00 0.00 179.45 179.83 1uiw h PHE 128 N 0.80 -0.02 -0.25 -1.35 3.57 -0.95 -1.05 116.94 117.68 1uiw h PHE 128 Ca 0.21 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1uiw h PHE 128 Cb 0.03 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1uiw h PHE 128 CO -0.01 -0.03 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.81 1uiw h LEU 129 N 0.04 0.42 -0.83 0.59 3.38 -1.18 -1.59 115.31 116.15 1uiw h LEU 129 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1uiw h LEU 129 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1uiw h LEU 129 CO -0.13 0.61 -0.05 0.00 0.09 0.00 0.00 178.44 178.97 1uiw h ALA 130 N 1.43 1.02 -0.27 1.53 0.00 -1.13 -1.94 119.26 119.90 1uiw h ALA 130 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1uiw h ALA 130 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1uiw h ALA 130 CO 0.03 0.60 0.06 0.77 0.00 0.00 0.00 179.25 180.71 1uiw h SER 131 N 0.76 0.42 -0.52 0.00 0.02 -0.69 -1.20 113.55 112.34 1uiw h SER 131 Ca 0.14 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1uiw h SER 131 Cb 0.53 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1uiw h SER 131 CO 0.03 0.55 0.30 0.58 -1.14 0.00 0.00 176.83 177.15 1uiw h VAL 132 N 0.27 1.03 -0.71 2.27 2.07 -1.29 -1.79 116.25 118.10 1uiw h VAL 132 Ca 0.09 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1uiw h VAL 132 Cb 0.29 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1uiw h VAL 132 CO 0.00 0.11 0.46 0.28 0.02 0.00 0.00 177.57 178.44 1uiw h SER 133 N 0.59 0.79 -0.50 0.57 0.02 -1.22 -1.55 113.55 112.26 1uiw h SER 133 Ca 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1uiw h SER 133 Cb 0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1uiw h SER 133 CO -0.11 0.56 0.20 0.74 -1.14 0.00 0.00 176.83 177.09 1uiw h THR 134 N 0.93 1.21 -0.47 -2.27 2.02 -0.91 -2.34 112.91 111.07 1uiw h THR 134 Ca 0.27 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1uiw h THR 134 Cb -0.07 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1uiw h THR 134 CO -0.07 0.24 0.25 0.58 0.37 0.00 0.00 175.52 176.89 1uiw h VAL 135 N 0.66 0.98 0.00 3.16 2.07 -1.06 -2.46 116.25 119.60 1uiw h VAL 135 Ca 0.17 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1uiw h VAL 135 Cb 0.18 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1uiw h VAL 135 CO -0.01 0.09 -0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1uiw h LEU 136 N 0.50 0.00 -2.21 2.57 3.38 -1.04 -2.56 115.31 115.94 1uiw h LEU 136 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1uiw h LEU 136 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uiw h LEU 136 CO -0.13 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.82 1uiw n THR 137 N -3.33 0.42 0.34 0.22 -2.24 -0.90 -4.53 114.28 104.25 1uiw n THR 137 Ca -0.01 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1uiw n THR 137 Cb 0.24 1.04 0.59 0.00 -2.10 0.00 0.00 70.33 70.10 1uiw n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1uiw h SER 138 N 3.95 0.00 -0.35 3.42 4.64 -1.01 -2.98 113.55 121.21 1uiw h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uiw h SER 138 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1uiw h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1uiw n LYS 139 N -2.67 2.91 0.20 4.77 5.02 -1.26 -4.73 118.16 122.39 1uiw n LYS 139 Ca 0.01 -2.24 0.04 0.00 -2.02 0.00 0.00 58.31 54.10 1uiw n LYS 139 Cb 0.27 -1.40 0.44 0.00 -0.02 0.00 0.00 35.03 34.32 1uiw n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1uiw h TYR 140 N 2.11 0.04 0.00 2.13 -1.99 -1.85 -3.47 116.97 113.94 1uiw h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1uiw h TYR 140 Cb 0.89 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1uiw h TYR 140 CO 0.31 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 181.62