#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 4.17 0.80 7.52 1.43 -1.26 -5.07 118.68 126.27 1uiw s LEU 2 Ca 0.00 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1uiw s LEU 2 Cb 0.00 -3.26 0.07 0.00 0.03 0.00 0.00 46.19 43.03 1uiw s LEU 2 CO 0.00 -0.43 1.11 -0.94 0.23 0.00 0.00 176.35 176.33 1uiw s SER 3 N 1.17 4.54 0.25 2.29 1.04 -1.26 -4.88 113.70 116.86 1uiw s SER 3 Ca 0.39 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.93 1uiw s SER 3 Cb -0.16 -1.83 0.42 0.00 0.10 0.00 0.00 66.02 64.55 1uiw s SER 3 CO 0.12 -1.92 1.82 -0.65 0.98 0.00 0.00 173.24 173.60 1uiw h PRO 4 N -1.05 0.85 -0.52 4.02 0.11 -2.00 -2.01 132.00 131.40 1uiw h PRO 4 Ca -0.47 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1uiw h PRO 4 Cb 1.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1uiw h PRO 4 CO 0.62 0.57 0.31 0.00 -0.21 0.00 0.00 178.00 179.28 1uiw h ALA 5 N 1.47 0.67 -0.38 -0.75 0.00 -1.99 -1.73 119.26 116.54 1uiw h ALA 5 Ca 0.42 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1uiw h ALA 5 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1uiw h ALA 5 CO -0.24 0.02 0.07 -0.44 0.00 0.00 0.00 179.25 178.66 1uiw h ASP 6 N 0.62 -0.00 -0.49 0.00 3.32 -1.78 -0.69 116.42 117.38 1uiw h ASP 6 Ca 0.21 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1uiw h ASP 6 Cb 0.02 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1uiw h ASP 6 CO -0.10 0.04 0.24 0.11 -1.72 0.00 0.00 179.24 177.81 1uiw h LYS 7 N 0.19 0.71 -0.38 3.56 1.57 -1.12 -0.77 116.57 120.34 1uiw h LYS 7 Ca 0.18 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1uiw h LYS 7 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1uiw h LYS 7 CO -0.24 0.59 0.23 1.15 -0.57 0.00 0.00 179.45 180.61 1uiw h THR 8 N 0.65 1.12 -0.65 -0.16 2.02 -1.19 -1.94 112.91 112.77 1uiw h THR 8 Ca 0.17 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1uiw h THR 8 Cb 0.12 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1uiw h THR 8 CO -0.02 0.13 0.31 0.78 0.37 0.00 0.00 175.52 177.09 1uiw h ASN 9 N 0.50 0.85 -0.43 4.18 -0.26 -0.86 -2.11 115.58 117.45 1uiw h ASN 9 Ca 0.14 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1uiw h ASN 9 Cb 0.00 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 1uiw h ASN 9 CO -0.03 0.74 0.07 0.58 -1.06 0.00 0.00 177.43 177.74 1uiw h VAL 10 N 0.90 1.24 -0.73 2.81 2.07 -1.10 -1.73 116.25 119.71 1uiw h VAL 10 Ca 0.22 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1uiw h VAL 10 Cb 0.12 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1uiw h VAL 10 CO -0.03 0.30 0.23 0.11 0.02 0.00 0.00 177.57 178.20 1uiw h LYS 11 N 0.56 1.13 -0.17 1.57 1.57 -1.25 -1.18 116.57 118.80 1uiw h LYS 11 Ca 0.13 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1uiw h LYS 11 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1uiw h LYS 11 CO 0.01 0.97 0.04 0.00 -0.57 0.00 0.00 179.45 179.90 1uiw h ALA 12 N 1.11 0.22 -0.14 3.86 0.00 -1.32 -1.50 119.26 121.50 1uiw h ALA 12 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1uiw h ALA 12 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uiw h ALA 12 CO -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.07 1uiw h ALA 13 N 0.85 0.19 0.00 0.00 0.00 -1.23 -2.57 119.26 116.50 1uiw h ALA 13 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1uiw h ALA 13 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uiw h ALA 13 CO 0.00 -0.05 -0.31 2.35 0.00 0.00 0.00 179.25 181.24 1uiw h TRP 14 N -0.05 0.00 -0.68 0.00 2.91 -1.29 -2.73 115.95 114.12 1uiw h TRP 14 Ca 0.03 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 1uiw h TRP 14 Cb 0.47 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 1uiw h TRP 14 CO 0.05 0.31 0.22 0.78 -1.03 0.00 0.00 178.44 178.77 1uiw h GLY 15 N 1.11 1.14 2.00 2.65 0.00 -1.15 -2.83 103.07 105.99 1uiw h GLY 15 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 1uiw h GLY 15 CO 0.04 0.63 -0.28 0.50 0.00 0.00 0.00 176.54 177.43 1uiw h LYS 16 N 1.00 0.00 -0.22 4.80 1.79 -1.16 -2.28 116.57 120.50 1uiw h LYS 16 Ca 0.22 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1uiw h LYS 16 Cb 0.29 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1uiw h LYS 16 CO -0.01 0.28 -0.02 0.28 -1.08 0.00 0.00 179.45 178.90 1uiw h VAL 17 N 0.00 0.82 0.00 0.50 2.07 -1.27 -3.46 116.25 114.90 1uiw h VAL 17 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1uiw h VAL 17 Cb 0.50 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1uiw h VAL 17 CO 0.04 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1uiw n GLY 18 N -1.20 3.63 0.00 2.17 0.00 -0.86 -2.04 105.19 106.90 1uiw n GLY 18 Ca -0.02 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 11.58 2.65 1.32 4.61 0.00 -1.26 -3.04 120.51 136.36 1uiw n ALA 19 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1uiw n ALA 19 Cb 0.00 -1.50 0.48 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.02 0.00 -0.23 0.00 8.25 -0.86 -4.54 115.22 116.82 1uiw n HIS 20 Ca 0.23 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1uiw n HIS 20 Cb 0.11 -0.15 0.11 0.00 1.12 0.00 0.00 29.99 31.18 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 3.66 0.59 -0.04 -1.41 0.00 -1.68 -0.85 119.26 119.52 1uiw h ALA 21 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1uiw h ALA 21 Cb 0.44 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1uiw h ALA 21 CO 0.00 -0.42 -0.04 0.78 0.00 0.00 0.00 179.25 179.57 1uiw h GLY 22 N 0.06 -0.00 0.52 0.00 0.00 -1.86 -1.48 103.07 100.31 1uiw h GLY 22 Ca 0.35 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.82 1uiw h GLY 22 CO -0.64 -0.05 0.44 -2.09 0.00 0.00 0.00 176.54 174.20 1uiw h GLU 23 N -0.05 0.72 -0.18 4.80 4.81 -1.71 -2.52 114.58 120.44 1uiw h GLU 23 Ca 0.03 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1uiw h GLU 23 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1uiw h GLU 23 CO -0.08 0.47 -0.39 1.88 -0.73 0.00 0.00 179.01 180.17 1uiw h TYR 24 N 0.74 0.46 -0.41 0.92 0.05 -0.92 -2.09 116.97 115.72 1uiw h TYR 24 Ca 0.38 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1uiw h TYR 24 Cb 0.36 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1uiw h TYR 24 CO -0.07 0.73 0.21 0.78 -1.05 0.00 0.00 178.16 178.76 1uiw h GLY 25 N 1.13 0.62 0.99 3.88 0.00 -0.86 -1.01 103.07 107.83 1uiw h GLY 25 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1uiw h GLY 25 CO 0.07 0.28 0.26 0.00 0.00 0.00 0.00 176.54 177.15 1uiw h ALA 26 N 1.07 0.76 -0.34 3.60 0.00 -1.35 -2.11 119.26 120.88 1uiw h ALA 26 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uiw h ALA 26 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uiw h ALA 26 CO -0.02 0.35 0.23 1.49 0.00 0.00 0.00 179.25 181.30 1uiw h GLU 27 N 0.81 0.45 -0.77 0.00 4.81 -1.28 -2.09 114.58 116.51 1uiw h GLU 27 Ca 0.20 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1uiw h GLU 27 Cb 0.16 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1uiw h GLU 27 CO -0.02 0.30 0.47 0.00 -0.73 0.00 0.00 179.01 179.04 1uiw h ALA 28 N 1.12 1.03 -0.08 2.92 0.00 -1.06 -0.75 119.26 122.45 1uiw h ALA 28 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1uiw h ALA 28 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1uiw h ALA 28 CO -0.03 0.22 -0.04 -0.07 0.00 0.00 0.00 179.25 179.34 1uiw h LEU 29 N 0.89 -0.13 -0.49 0.00 3.38 -1.23 -1.46 115.31 116.27 1uiw h LEU 29 Ca 0.33 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1uiw h LEU 29 Cb 0.11 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1uiw h LEU 29 CO -0.15 -0.06 0.32 -0.08 0.09 0.00 0.00 178.44 178.56 1uiw h GLU 30 N -0.04 0.63 -0.93 1.13 4.81 -1.13 -0.74 114.58 118.32 1uiw h GLU 30 Ca 0.05 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1uiw h GLU 30 Cb 0.10 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.25 1uiw h GLU 30 CO -0.10 0.42 0.55 0.00 -0.73 0.00 0.00 179.01 179.14 1uiw h ARG 31 N 0.65 0.80 -0.23 1.92 3.08 -1.02 -2.00 114.38 117.59 1uiw h ARG 31 Ca 0.18 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1uiw h ARG 31 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1uiw h ARG 31 CO -0.04 0.53 -0.05 1.98 -1.07 0.00 0.00 179.97 181.32 1uiw h MET 32 N 0.83 0.44 -0.62 0.04 4.05 -0.56 -1.44 114.93 117.66 1uiw h MET 32 Ca 0.48 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.69 1uiw h MET 32 Cb 0.56 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1uiw h MET 32 CO -0.30 0.67 0.21 0.74 0.23 0.00 0.00 176.91 178.45 1uiw h PHE 33 N 0.17 0.94 0.05 1.39 0.04 -0.84 -0.70 116.94 117.99 1uiw h PHE 33 Ca 0.06 -0.07 -0.25 0.00 2.80 0.00 0.00 57.97 60.51 1uiw h PHE 33 Cb 0.50 -0.28 0.02 0.00 2.20 0.00 0.00 35.95 38.40 1uiw h PHE 33 CO 0.05 0.75 -0.99 -0.07 -0.60 0.00 0.00 178.31 177.44 1uiw h LEU 34 N 0.90 0.79 -0.05 1.54 3.38 -1.39 -3.32 115.31 117.17 1uiw h LEU 34 Ca 0.20 -0.78 -0.23 0.00 0.09 0.00 0.00 57.88 57.16 1uiw h LEU 34 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1uiw h LEU 34 CO -0.01 1.48 -1.06 0.28 0.09 0.00 0.00 178.44 179.22 1uiw h SER 35 N 0.20 0.29 -2.51 -0.43 0.02 -1.20 -3.40 113.55 106.51 1uiw h SER 35 Ca -0.14 -0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 59.94 1uiw h SER 35 Cb 1.68 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 63.73 1uiw h SER 35 CO 0.19 1.16 -0.79 0.49 -1.14 0.00 0.00 176.83 176.74 1uiw n PHE 36 N -3.54 1.40 0.30 3.45 3.72 -0.28 -5.01 117.46 117.50 1uiw n PHE 36 Ca -0.05 -3.84 0.18 0.00 -0.05 0.00 0.00 57.45 53.69 1uiw n PHE 36 Cb 0.93 -0.29 1.01 0.00 -0.94 0.00 0.00 39.48 40.19 1uiw n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1uiw h PRO 37 N 5.00 0.00 0.00 -1.08 0.13 -1.77 -1.65 132.00 132.63 1uiw h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1uiw h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1uiw h PRO 37 CO 0.59 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.13 1uiw h THR 38 N 0.00 0.36 0.00 1.56 1.35 -1.92 -1.96 112.91 112.29 1uiw h THR 38 Ca 0.01 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1uiw h THR 38 Cb 0.12 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1uiw h THR 38 CO -0.00 0.02 -0.10 0.71 -0.25 0.00 0.00 175.52 175.90 1uiw h THR 39 N 0.00 0.32 0.00 6.82 1.35 -1.63 -2.59 112.91 117.19 1uiw h THR 39 Ca -0.00 -0.62 -0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1uiw h THR 39 Cb 0.06 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1uiw h THR 39 CO 0.00 0.10 -0.01 0.11 -0.25 0.00 0.00 175.52 175.47 1uiw h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.55 -2.81 116.57 118.50 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 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1uiw h LYS 40 CO 0.01 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.69 1uiw h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.65 -1.95 112.91 110.50 1uiw h THR 41 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1uiw h THR 41 Cb 0.10 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1uiw h THR 41 CO 0.00 0.00 -0.34 -1.22 -0.25 0.00 0.00 175.52 173.71 1uiw n TYR 42 N -2.69 0.00 -2.37 4.73 4.01 -1.06 -4.42 117.16 115.36 1uiw n TYR 42 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1uiw n TYR 42 Cb 0.14 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.18 2.36 0.30 -0.72 3.01 -0.73 -4.86 117.46 115.64 1uiw n PHE 43 Ca 0.09 -2.43 0.17 0.00 1.01 0.00 0.00 57.45 56.29 1uiw n PHE 43 Cb 0.33 -0.27 0.73 0.00 -0.01 0.00 0.00 39.48 40.27 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 2.44 0.00 -0.00 -1.08 0.13 -1.77 -2.43 132.00 129.28 1uiw h PRO 44 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1uiw h PRO 44 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uiw h PRO 44 CO 0.61 0.00 -0.05 -2.39 -0.23 0.00 0.00 178.00 175.94 1uiw n HIS 45 N -3.00 0.00 -3.99 1.56 1.44 -1.26 -4.86 115.22 105.11 1uiw n HIS 45 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1uiw n HIS 45 Cb 0.27 -0.10 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 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 -2.25 3.39 -0.37 -1.40 0.40 -0.92 -5.08 117.98 111.74 1uiw s PHE 46 Ca 0.36 0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 56.63 1uiw s PHE 46 Cb 0.21 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1uiw s PHE 46 CO 0.42 0.58 1.25 0.34 0.70 0.00 0.00 175.22 178.51 1uiw s ASP 47 N -2.12 6.62 -0.03 1.36 2.15 -1.26 -4.96 116.67 118.43 1uiw s ASP 47 Ca 0.28 0.90 0.11 0.00 0.43 0.00 0.00 52.55 54.28 1uiw s ASP 47 Cb -0.12 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.33 1uiw s ASP 47 CO 0.20 -1.18 1.27 0.18 -0.17 0.00 0.00 175.17 175.48 1uiw n LEU 48 N 7.85 2.50 -4.54 -1.34 4.77 -1.26 -4.63 117.00 120.35 1uiw n LEU 48 Ca 0.14 -1.25 -0.41 0.00 -0.03 0.00 0.00 56.01 54.46 1uiw n LEU 48 Cb 0.48 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1uiw n LEU 48 CO 0.66 0.52 0.35 -1.20 -1.33 0.00 0.00 177.39 176.40 1uiw n SER 49 N 0.61 0.24 -4.66 -1.43 7.64 -1.26 -4.91 113.62 109.86 1uiw n SER 49 Ca 0.14 0.93 -0.46 0.00 1.01 0.00 0.00 58.87 60.49 1uiw n SER 49 Cb 0.44 -1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1uiw n SER 49 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1uiw n HIS 50 N -0.89 2.11 -0.86 1.43 -0.00 -1.26 -1.86 115.22 113.89 1uiw n HIS 50 Ca 0.11 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1uiw n HIS 50 Cb 0.41 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 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 2.74 0.79 3.60 1.57 0.00 -1.26 -5.01 105.19 107.62 1uiw n GLY 51 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 1uiw n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uiw n SER 52 N 0.00 1.80 -0.34 1.61 2.88 -0.78 -4.89 113.62 113.90 1uiw n SER 52 Ca 0.00 1.12 0.01 0.00 -1.33 0.00 0.00 58.87 58.67 1uiw n SER 52 Cb 0.00 -1.24 0.14 0.00 -0.75 0.00 0.00 64.21 62.36 1uiw n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uiw h ALA 53 N 4.39 1.26 -0.69 -1.46 0.00 -1.91 -1.64 119.26 119.20 1uiw h ALA 53 Ca -0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1uiw h ALA 53 Cb 1.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1uiw h ALA 53 CO 0.77 0.40 0.16 1.96 0.00 0.00 0.00 179.25 182.55 1uiw h GLN 54 N 1.11 1.11 -0.40 0.00 4.20 -1.91 -1.32 115.11 117.90 1uiw h GLN 54 Ca 0.39 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1uiw h GLN 54 Cb 0.10 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1uiw h GLN 54 CO -0.15 0.99 0.01 0.28 -0.67 0.00 0.00 178.83 179.29 1uiw h VAL 55 N 1.04 1.26 -0.42 -0.54 2.07 -1.76 -1.86 116.25 116.04 1uiw h VAL 55 Ca 0.22 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1uiw h VAL 55 Cb 0.38 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1uiw h VAL 55 CO 0.00 0.33 0.15 0.11 0.02 0.00 0.00 177.57 178.18 1uiw h LYS 56 N 0.53 0.31 -0.46 1.57 1.79 -1.16 0.53 116.57 119.67 1uiw h LYS 56 Ca 0.11 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1uiw h LYS 56 Cb 0.45 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1uiw h LYS 56 CO 0.02 0.20 0.27 0.78 -1.08 0.00 0.00 179.45 179.64 1uiw h GLY 57 N 0.32 0.67 1.38 3.86 0.00 -1.17 -2.31 103.07 105.82 1uiw h GLY 57 Ca 0.19 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1uiw h GLY 57 CO -0.20 0.27 -0.17 0.84 0.00 0.00 0.00 176.54 177.29 1uiw h HIS 58 N 0.61 0.81 -0.93 5.60 -0.00 -1.14 -2.79 115.15 117.31 1uiw h HIS 58 Ca 0.16 -0.16 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1uiw h HIS 58 Cb 0.01 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.17 1uiw h HIS 58 CO -0.03 0.85 0.62 0.78 -0.00 0.00 0.00 177.93 180.15 1uiw h GLY 59 N 0.98 1.31 0.98 5.26 0.00 -0.69 -1.63 103.07 109.28 1uiw h GLY 59 Ca 0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1uiw h GLY 59 CO 0.05 0.47 0.16 1.70 0.00 0.00 0.00 176.54 178.91 1uiw h LYS 60 N 1.25 0.80 -0.42 4.80 1.63 -1.29 -1.84 116.57 121.52 1uiw h LYS 60 Ca 0.34 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1uiw h LYS 60 Cb -0.13 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 1uiw h LYS 60 CO -0.08 0.75 0.24 0.87 -3.45 0.00 0.00 179.45 177.78 1uiw h LYS 61 N 0.71 0.57 -0.23 1.90 1.57 -1.19 -0.96 116.57 118.93 1uiw h LYS 61 Ca 0.17 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1uiw h LYS 61 Cb 0.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1uiw h LYS 61 CO -0.00 0.45 0.14 0.28 -0.57 0.00 0.00 179.45 179.75 1uiw h VAL 62 N 0.54 1.09 -0.85 0.50 2.07 -1.26 -2.06 116.25 116.29 1uiw h VAL 62 Ca 0.15 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1uiw h VAL 62 Cb 0.04 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1uiw h VAL 62 CO -0.03 0.09 0.43 0.00 0.02 0.00 0.00 177.57 178.08 1uiw h ALA 63 N 1.05 1.09 -0.43 1.67 0.00 -1.26 -2.08 119.26 119.29 1uiw h ALA 63 Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1uiw h ALA 63 Cb 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1uiw h ALA 63 CO -0.02 0.63 0.00 -0.44 0.00 0.00 0.00 179.25 179.42 1uiw h ASP 64 N 1.19 0.67 -0.70 0.00 3.32 -1.02 -1.29 116.42 118.60 1uiw h ASP 64 Ca 0.29 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1uiw h ASP 64 Cb 0.08 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1uiw h ASP 64 CO -0.04 0.74 0.24 0.00 -1.72 0.00 0.00 179.24 178.46 1uiw h ALA 65 N 1.34 0.91 -0.71 3.45 0.00 -1.06 -1.83 119.26 121.36 1uiw h ALA 65 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1uiw h ALA 65 Cb 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1uiw h ALA 65 CO 0.02 0.57 0.37 -0.07 0.00 0.00 0.00 179.25 180.14 1uiw h LEU 66 N 1.02 0.91 -0.62 0.00 3.38 -1.02 -1.40 115.31 117.57 1uiw h LEU 66 Ca 0.23 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1uiw h LEU 66 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1uiw h LEU 66 CO -0.01 0.76 0.40 0.74 0.09 0.00 0.00 178.44 180.42 1uiw h THR 67 N 0.99 1.13 -0.78 0.22 2.02 -1.03 -1.22 112.91 114.25 1uiw h THR 67 Ca 0.25 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1uiw h THR 67 Cb 0.07 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 1uiw h THR 67 CO -0.04 0.15 0.43 -1.13 0.37 0.00 0.00 175.52 175.30 1uiw h ASN 68 N 0.81 0.97 -0.65 4.18 -1.24 -1.18 -1.87 115.58 116.61 1uiw h ASN 68 Ca 0.24 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1uiw h ASN 68 Cb -0.06 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.72 1uiw h ASN 68 CO -0.07 0.79 0.25 0.00 -1.29 0.00 0.00 177.43 177.11 1uiw h ALA 69 N 1.22 0.84 -0.63 1.57 0.00 -0.74 -1.92 119.26 119.61 1uiw h ALA 69 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uiw h ALA 69 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1uiw h ALA 69 CO -0.04 0.47 0.38 0.28 0.00 0.00 0.00 179.25 180.34 1uiw h VAL 70 N 0.92 1.18 0.00 0.00 2.07 -1.11 -1.53 116.25 117.78 1uiw h VAL 70 Ca 0.22 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1uiw h VAL 70 Cb 0.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1uiw h VAL 70 CO -0.02 0.19 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 1uiw h ALA 71 N 1.20 1.41 -0.77 1.67 0.00 -1.07 -3.01 119.26 118.69 1uiw h ALA 71 Ca 0.23 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 1uiw h ALA 71 Cb -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.30 1uiw h ALA 71 CO -0.04 0.29 -0.72 0.72 0.00 0.00 0.00 179.25 179.50 1uiw n HIS 72 N -3.97 2.78 0.29 0.00 8.25 -0.74 -4.86 115.22 116.98 1uiw n HIS 72 Ca -0.02 -2.28 0.17 0.00 -0.26 0.00 0.00 57.72 55.33 1uiw n HIS 72 Cb 0.31 -0.40 0.89 0.00 1.12 0.00 0.00 29.99 31.91 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 2.12 0.32 0.00 1.59 3.04 -1.14 -0.85 116.25 121.32 1uiw h VAL 73 Ca 0.38 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1uiw h VAL 73 Cb 1.49 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1uiw h VAL 73 CO 0.81 0.05 0.00 0.47 -1.01 0.00 0.00 177.57 177.89 1uiw n ASP 74 N -3.44 0.66 -2.91 3.17 8.00 -1.26 -4.23 116.55 116.54 1uiw n ASP 74 Ca -0.02 0.60 -0.14 0.00 0.71 0.00 0.00 54.79 55.94 1uiw n ASP 74 Cb 0.17 -0.76 0.01 0.00 -0.02 0.00 0.00 41.12 40.52 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 -2.16 -1.78 0.02 -2.24 -0.08 -0.34 -5.02 116.55 104.96 1uiw n ASP 75 Ca 0.04 -3.09 -0.10 0.00 -1.51 0.00 0.00 54.79 50.13 1uiw n ASP 75 Cb 0.34 0.94 0.03 0.00 2.34 0.00 0.00 41.12 44.78 1uiw n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1uiw h MET 76 N 3.99 0.52 -0.76 -0.67 2.86 -1.71 -2.79 114.93 116.35 1uiw h MET 76 Ca -0.07 -0.37 0.12 0.00 -2.06 0.00 0.00 59.70 57.32 1uiw h MET 76 Cb 0.98 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.62 1uiw h MET 76 CO 0.38 0.99 0.37 -1.35 1.06 0.00 0.00 176.91 178.36 1uiw h PRO 77 N 0.38 0.57 -0.13 -0.22 0.11 -1.95 -0.22 132.00 130.54 1uiw h PRO 77 Ca -0.01 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 1uiw h PRO 77 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1uiw h PRO 77 CO 0.12 0.38 -0.14 -0.91 -0.21 0.00 0.00 178.00 177.23 1uiw h ASN 78 N 0.59 0.34 -1.00 -2.05 2.35 -1.97 -2.82 115.58 111.03 1uiw h ASN 78 Ca 0.40 -0.50 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1uiw h ASN 78 Cb 0.50 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 1uiw h ASN 78 CO -0.32 0.77 0.65 0.00 -1.65 0.00 0.00 177.43 176.88 1uiw h ALA 79 N 0.58 1.36 -0.54 -0.83 0.00 -1.22 -2.85 119.26 115.76 1uiw h ALA 79 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uiw h ALA 79 Cb 0.68 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1uiw h ALA 79 CO 0.03 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.06 1uiw n LEU 80 N -4.48 3.06 -0.16 0.00 4.77 -0.12 -4.67 117.00 115.40 1uiw n LEU 80 Ca 0.14 -1.50 -0.02 0.00 -0.03 0.00 0.00 56.01 54.60 1uiw n LEU 80 Cb 0.14 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1uiw n LEU 80 CO 0.33 0.75 0.93 -1.28 -1.33 0.00 0.00 177.39 176.79 1uiw h SER 81 N 3.43 0.06 -0.70 -1.43 0.87 -1.24 -0.36 113.55 114.18 1uiw h SER 81 Ca 0.00 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1uiw h SER 81 Cb 0.78 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1uiw h SER 81 CO 0.00 0.06 0.23 0.00 -0.53 0.00 0.00 176.83 176.59 1uiw h ALA 82 N 1.38 0.91 -0.20 6.23 0.00 -1.84 -1.77 119.26 123.97 1uiw h ALA 82 Ca 0.25 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1uiw h ALA 82 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1uiw h ALA 82 CO -0.30 0.58 -0.44 1.25 0.00 0.00 0.00 179.25 180.34 1uiw h LEU 83 N 1.02 0.52 -0.79 0.00 5.85 -1.75 -2.19 115.31 117.97 1uiw h LEU 83 Ca 0.23 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1uiw h LEU 83 Cb 0.28 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1uiw h LEU 83 CO -0.01 0.89 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.65 1uiw h SER 84 N 0.40 0.84 -0.23 1.25 0.87 -0.95 -2.26 113.55 113.48 1uiw h SER 84 Ca 0.03 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1uiw h SER 84 Cb 0.93 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1uiw h SER 84 CO 0.08 0.94 0.12 0.44 -0.53 0.00 0.00 176.83 177.88 1uiw h ASP 85 N 0.79 0.19 -0.37 6.23 3.32 -1.08 -2.17 116.42 123.34 1uiw h ASP 85 Ca 0.14 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1uiw h ASP 85 Cb 0.54 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1uiw h ASP 85 CO 0.03 0.15 0.19 0.25 -1.72 0.00 0.00 179.24 178.13 1uiw h LEU 86 N 0.26 0.28 -0.42 1.55 5.85 -1.28 -1.16 115.31 120.39 1uiw h LEU 86 Ca 0.09 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1uiw h LEU 86 Cb 0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uiw h LEU 86 CO -0.05 0.21 -0.32 0.45 -0.34 0.00 0.00 178.44 178.38 1uiw h HIS 87 N 0.39 1.14 -0.39 1.25 3.86 -1.39 -1.91 115.15 118.09 1uiw h HIS 87 Ca 0.15 -0.32 -0.14 0.00 -1.16 0.00 0.00 60.37 58.90 1uiw h HIS 87 Cb 0.06 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1uiw h HIS 87 CO -0.10 1.15 -0.33 0.00 0.86 0.00 0.00 177.93 179.51 1uiw h ALA 88 N 0.81 0.68 0.00 2.45 0.00 -1.22 0.79 119.26 122.77 1uiw h ALA 88 Ca 0.08 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1uiw h ALA 88 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1uiw h ALA 88 CO 0.09 0.67 -1.91 0.72 0.00 0.00 0.00 179.25 178.81 1uiw n HIS 89 N -4.07 0.00 0.00 0.00 8.25 -0.45 -4.65 115.22 114.30 1uiw n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1uiw n HIS 89 Cb 0.51 -0.56 -0.00 0.00 1.12 0.00 0.00 29.99 31.06 1uiw n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1uiw n LYS 90 N -2.31 0.03 -0.07 -0.41 4.81 -0.81 -4.88 118.16 114.53 1uiw n LYS 90 Ca -0.13 0.01 -0.10 0.00 -0.87 0.00 0.00 58.31 57.22 1uiw n LYS 90 Cb 0.69 -0.28 -0.04 0.00 0.02 0.00 0.00 35.03 35.42 1uiw n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1uiw h LEU 91 N -0.06 0.32 0.81 3.14 3.38 -1.50 -3.47 115.31 117.93 1uiw h LEU 91 Ca 0.00 -0.16 -0.38 0.00 0.09 0.00 0.00 57.88 57.43 1uiw h LEU 91 Cb 0.06 -0.08 0.06 0.00 0.09 0.00 0.00 40.66 40.79 1uiw h LEU 91 CO 0.00 0.39 -0.57 0.54 0.09 0.00 0.00 178.44 178.89 1uiw n ARG 92 N -4.80 -4.72 -1.88 1.13 1.74 0.27 -4.95 116.66 103.45 1uiw n ARG 92 Ca -0.03 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1uiw n ARG 92 Cb 0.12 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 25.95 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 -3.15 2.52 0.26 1.55 1.01 -1.26 -4.93 120.40 116.40 1uiw s VAL 93 Ca 0.30 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 1uiw s VAL 93 Cb -0.13 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.91 1uiw s VAL 93 CO 0.37 0.02 1.54 -0.67 0.00 0.00 0.00 175.10 176.36 1uiw n ASP 94 N 4.19 3.46 -0.22 3.32 -0.08 -1.26 -4.85 116.55 121.10 1uiw n ASP 94 Ca 0.15 1.14 0.31 0.00 -1.51 0.00 0.00 54.79 54.87 1uiw n ASP 94 Cb 0.38 -1.53 0.73 0.00 2.34 0.00 0.00 41.12 43.04 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 4.78 0.00 -0.05 -0.67 0.11 -2.00 -2.03 132.00 132.14 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 0.80 0.00 0.07 -0.39 -0.21 0.00 0.00 178.00 178.27 1uiw h VAL 96 N 0.00 0.36 0.00 3.15 -1.51 -2.03 -2.92 116.25 113.29 1uiw h VAL 96 Ca 0.47 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.92 1uiw h VAL 96 Cb 2.00 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 32.10 1uiw h VAL 96 CO -0.00 0.00 -0.08 0.78 -1.23 0.00 0.00 177.57 177.03 1uiw h ASN 97 N 0.00 0.00 -0.23 4.19 4.21 -1.72 -3.29 115.58 118.73 1uiw h ASN 97 Ca 0.02 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.47 1uiw h ASN 97 Cb 0.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1uiw h ASN 97 CO -0.00 0.08 -0.05 -0.26 -1.29 0.00 0.00 177.43 175.91 1uiw h PHE 98 N 0.00 0.61 0.00 1.19 -1.00 -1.72 -1.84 116.94 114.18 1uiw h PHE 98 Ca -0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.65 1uiw h PHE 98 Cb 0.90 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 1uiw h PHE 98 CO 0.00 0.62 -0.25 0.87 -1.61 0.00 0.00 178.31 177.94 1uiw h LYS 99 N 0.54 0.00 -0.03 1.51 1.57 -1.78 -1.35 116.57 117.03 1uiw h LYS 99 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1uiw h LYS 99 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1uiw h LYS 99 CO 0.02 0.25 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.02 1uiw h LEU 100 N 0.00 0.11 -0.78 2.94 3.38 -1.50 -1.93 115.31 117.54 1uiw h LEU 100 Ca -0.00 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 1uiw h LEU 100 Cb 0.44 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1uiw h LEU 100 CO 0.03 0.62 0.31 0.25 0.09 0.00 0.00 178.44 179.74 1uiw h LEU 101 N -0.41 1.07 -0.28 1.67 5.85 -1.44 -2.64 115.31 119.14 1uiw h LEU 101 Ca 0.00 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1uiw h LEU 101 Cb 0.60 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1uiw h LEU 101 CO 0.01 0.96 0.02 0.28 -0.34 0.00 0.00 178.44 179.37 1uiw h SER 102 N 1.13 -0.07 -0.56 1.25 0.02 -1.22 -0.48 113.55 113.62 1uiw h SER 102 Ca 0.26 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1uiw h SER 102 Cb 0.22 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1uiw h SER 102 CO -0.02 -0.00 0.29 -0.74 -1.14 0.00 0.00 176.83 175.22 1uiw h HIS 103 N 0.11 0.53 -0.13 3.45 -0.00 -1.26 -1.63 115.15 116.21 1uiw h HIS 103 Ca 0.13 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.42 1uiw h HIS 103 Cb 0.16 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1uiw h HIS 103 CO -0.20 0.25 -0.39 0.00 -0.00 0.00 0.00 177.93 177.60 1uiw h LEU 105 N 0.25 0.65 -0.51 0.00 3.38 -0.80 -1.91 115.31 116.37 1uiw h LEU 105 Ca 0.02 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1uiw h LEU 105 Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1uiw h LEU 105 CO 0.06 0.70 0.30 -0.07 0.09 0.00 0.00 178.44 179.53 1uiw h LEU 106 N 0.56 0.48 -0.69 1.67 3.38 -1.01 -1.51 115.31 118.19 1uiw h LEU 106 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1uiw h LEU 106 Cb 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1uiw h LEU 106 CO 0.00 0.34 0.36 0.58 0.09 0.00 0.00 178.44 179.81 1uiw h VAL 107 N 0.60 1.22 -0.54 1.22 2.07 -1.16 -1.13 116.25 118.53 1uiw h VAL 107 Ca 0.20 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1uiw h VAL 107 Cb 0.03 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1uiw h VAL 107 CO -0.10 0.25 0.32 0.74 0.02 0.00 0.00 177.57 178.80 1uiw h THR 108 N 0.95 1.16 -0.43 2.57 2.02 -1.08 -1.90 112.91 116.21 1uiw h THR 108 Ca 0.24 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1uiw h THR 108 Cb 0.07 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1uiw h THR 108 CO -0.04 0.17 0.18 -0.07 0.37 0.00 0.00 175.52 176.14 1uiw h LEU 109 N 0.72 0.58 -0.84 2.58 3.38 -1.08 -2.79 115.31 117.86 1uiw h LEU 109 Ca 0.19 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1uiw h LEU 109 Cb -0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1uiw h LEU 109 CO -0.04 0.57 0.46 0.00 0.09 0.00 0.00 178.44 179.53 1uiw h ALA 110 N 1.03 1.22 0.00 1.53 0.00 -1.00 -0.30 119.26 121.73 1uiw h ALA 110 Ca 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1uiw h ALA 110 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uiw h ALA 110 CO -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.27 1uiw h ALA 111 N 1.49 1.00 0.00 0.00 0.00 -1.09 -3.27 119.26 117.40 1uiw h ALA 111 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1uiw h ALA 111 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1uiw h ALA 111 CO -0.29 0.01 -0.60 0.72 0.00 0.00 0.00 179.25 179.09 1uiw n HIS 112 N -3.10 0.00 -3.26 0.00 -0.00 -0.90 -4.84 115.22 103.13 1uiw n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1uiw n HIS 112 Cb 0.32 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.99 30.20 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 -1.32 3.71 -0.09 2.41 4.77 -0.17 -4.98 117.00 121.34 1uiw n LEU 113 Ca 0.01 -5.47 -0.06 0.00 -0.03 0.00 0.00 56.01 50.46 1uiw n LEU 113 Cb 0.16 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1uiw n LEU 113 CO 0.18 2.15 0.85 1.55 -1.33 0.00 0.00 177.39 180.79 1uiw h PRO 114 N 3.78 0.07 -0.05 3.23 0.13 -1.86 -1.99 132.00 135.31 1uiw h PRO 114 Ca 0.17 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 1uiw h PRO 114 Cb 0.63 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1uiw h PRO 114 CO 0.80 0.05 -0.86 0.00 -0.23 0.00 0.00 178.00 177.76 1uiw h ALA 115 N 1.28 0.40 0.00 -0.56 0.00 -1.97 -3.36 119.26 115.05 1uiw h ALA 115 Ca 0.15 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1uiw h ALA 115 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1uiw h ALA 115 CO -0.27 0.76 -0.65 0.93 0.00 0.00 0.00 179.25 180.02 1uiw h GLU 116 N 0.32 0.00 -3.19 0.00 3.07 -1.94 -3.40 114.58 109.44 1uiw h GLU 116 Ca -0.07 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.11 1uiw h GLU 116 Cb 1.48 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.38 1uiw h GLU 116 CO 0.16 0.65 3.50 0.34 -1.40 0.00 0.00 179.01 182.26 1uiw n PHE 117 N -3.30 2.70 -1.43 4.33 7.35 -0.76 -4.77 117.46 121.57 1uiw n PHE 117 Ca 0.01 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.37 1uiw n PHE 117 Cb 0.78 -2.42 0.12 0.00 0.35 0.00 0.00 39.48 38.30 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 1.99 2.63 0.23 -2.13 -4.23 -1.26 -4.79 115.64 108.07 1uiw s THR 118 Ca 0.62 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1uiw s THR 118 Cb 0.17 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.34 1uiw s THR 118 CO -0.07 -0.27 1.73 -0.65 -0.54 0.00 0.00 174.62 174.82 1uiw h PRO 119 N -1.37 0.39 -0.58 3.99 0.11 -2.00 -0.99 132.00 131.56 1uiw h PRO 119 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1uiw h PRO 119 Cb 1.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1uiw h PRO 119 CO 0.59 0.26 0.10 0.00 -0.21 0.00 0.00 178.00 178.74 1uiw h ALA 120 N 1.52 0.77 -0.60 -0.75 0.00 -1.97 -1.90 119.26 116.32 1uiw h ALA 120 Ca 0.38 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1uiw h ALA 120 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1uiw h ALA 120 CO -0.39 0.52 0.05 0.28 0.00 0.00 0.00 179.25 179.70 1uiw h VAL 121 N 0.86 1.26 -0.23 0.00 2.07 -1.80 -1.99 116.25 116.41 1uiw h VAL 121 Ca 0.18 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.67 1uiw h VAL 121 Cb 0.41 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1uiw h VAL 121 CO 0.01 0.40 -0.13 -0.74 0.02 0.00 0.00 177.57 177.13 1uiw h HIS 122 N 0.94 -0.31 -0.40 1.57 6.17 -1.09 -0.70 115.15 121.31 1uiw h HIS 122 Ca 0.18 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.31 1uiw h HIS 122 Cb 0.50 0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 1uiw h HIS 122 CO 0.04 -0.19 0.21 0.00 0.71 0.00 0.00 177.93 178.70 1uiw h ALA 123 N 1.07 0.50 -0.46 5.26 0.00 -1.20 -1.69 119.26 122.75 1uiw h ALA 123 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1uiw h ALA 123 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1uiw h ALA 123 CO -0.30 -0.14 0.22 0.77 0.00 0.00 0.00 179.25 179.80 1uiw h SER 124 N 0.43 0.60 -0.74 0.00 0.02 -1.13 -1.87 113.55 110.87 1uiw h SER 124 Ca 0.17 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1uiw h SER 124 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1uiw h SER 124 CO -0.11 0.56 0.35 -0.07 -1.14 0.00 0.00 176.83 176.42 1uiw h LEU 125 N 0.60 0.98 -0.36 5.07 3.38 -1.04 -0.75 115.31 123.19 1uiw h LEU 125 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uiw h LEU 125 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1uiw h LEU 125 CO -0.02 0.85 0.23 -0.78 0.09 0.00 0.00 178.44 178.81 1uiw h ASP 126 N 1.05 0.41 -0.65 -0.43 3.58 -1.19 -1.26 116.42 117.93 1uiw h ASP 126 Ca 0.25 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1uiw h ASP 126 Cb 0.14 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1uiw h ASP 126 CO -0.03 0.31 0.33 0.11 -2.88 0.00 0.00 179.24 177.08 1uiw h LYS 127 N 0.48 0.93 -0.15 0.28 1.57 -1.15 -2.18 116.57 116.35 1uiw h LYS 127 Ca 0.13 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1uiw h LYS 127 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1uiw h LYS 127 CO -0.03 0.72 0.10 0.35 -0.57 0.00 0.00 179.45 180.02 1uiw h PHE 128 N 0.89 0.18 -0.27 -1.35 3.57 -0.86 -1.59 116.94 117.51 1uiw h PHE 128 Ca 0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1uiw h PHE 128 Cb 0.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1uiw h PHE 128 CO -0.00 0.11 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.01 1uiw h LEU 129 N 0.20 0.44 -0.76 0.59 3.38 -1.17 -1.27 115.31 116.71 1uiw h LEU 129 Ca 0.05 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1uiw h LEU 129 Cb -0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1uiw h LEU 129 CO -0.01 0.58 0.12 0.00 0.09 0.00 0.00 178.44 179.22 1uiw h ALA 130 N 1.47 0.97 -0.32 1.53 0.00 -1.20 -1.85 119.26 119.86 1uiw h ALA 130 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1uiw h ALA 130 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1uiw h ALA 130 CO 0.03 0.65 0.09 1.03 0.00 0.00 0.00 179.25 181.04 1uiw h SER 131 N 1.00 0.47 -0.60 0.00 0.87 -0.74 -1.09 113.55 113.46 1uiw h SER 131 Ca 0.20 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1uiw h SER 131 Cb 0.41 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1uiw h SER 131 CO 0.01 0.56 0.34 0.58 -0.53 0.00 0.00 176.83 177.79 1uiw h VAL 132 N 0.35 1.01 -0.78 2.23 2.07 -1.20 -2.00 116.25 117.92 1uiw h VAL 132 Ca 0.10 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1uiw h VAL 132 Cb 0.27 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1uiw h VAL 132 CO -0.00 0.12 0.34 0.28 0.02 0.00 0.00 177.57 178.33 1uiw h SER 133 N 0.65 1.05 -0.48 0.57 0.02 -1.17 -1.35 113.55 112.84 1uiw h SER 133 Ca 0.25 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1uiw h SER 133 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1uiw h SER 133 CO -0.14 0.92 0.31 0.74 -1.14 0.00 0.00 176.83 177.52 1uiw h THR 134 N 1.12 1.13 -0.59 -2.27 2.02 -0.91 -2.47 112.91 110.94 1uiw h THR 134 Ca 0.26 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1uiw h THR 134 Cb 0.17 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1uiw h THR 134 CO -0.03 0.12 0.35 0.58 0.37 0.00 0.00 175.52 176.91 1uiw h VAL 135 N 0.65 1.18 0.00 3.16 2.07 -1.02 -2.48 116.25 119.80 1uiw h VAL 135 Ca 0.17 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1uiw h VAL 135 Cb -0.06 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1uiw h VAL 135 CO -0.04 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.67 1uiw h LEU 136 N 0.79 0.00 -2.11 2.57 3.38 -0.98 -2.75 115.31 116.21 1uiw h LEU 136 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1uiw h LEU 136 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uiw h LEU 136 CO -0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.84 1uiw n THR 137 N -2.87 0.41 0.28 0.22 -2.24 -0.95 -4.57 114.28 104.55 1uiw n THR 137 Ca 0.00 -0.70 0.18 0.00 -2.27 0.00 0.00 64.05 61.25 1uiw n THR 137 Cb 0.23 0.99 0.76 0.00 -2.10 0.00 0.00 70.33 70.21 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 2.99 0.00 -0.40 3.42 4.64 -1.13 -2.93 113.55 120.14 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 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1uiw h SER 138 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1uiw n LYS 139 N -3.12 2.85 0.21 4.77 5.02 -1.26 -4.73 118.16 121.90 1uiw n LYS 139 Ca -0.00 -2.14 0.05 0.00 -2.02 0.00 0.00 58.31 54.20 1uiw n LYS 139 Cb 0.27 -1.31 0.51 0.00 -0.02 0.00 0.00 35.03 34.48 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 2.37 0.05 0.00 2.13 -1.99 -1.84 -3.47 116.97 114.22 1uiw h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1uiw h TYR 140 Cb 0.77 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.49 1uiw h TYR 140 CO 0.27 0.18 0.00 2.89 -0.00 0.00 0.00 178.16 181.50