#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiw s HIS 2 N 0.00 3.51 0.06 3.52 2.46 -1.26 -4.94 115.29 118.64 1uiw s HIS 2 Ca 0.00 -2.33 -0.23 0.00 0.47 0.00 0.00 55.06 52.97 1uiw s HIS 2 Cb 0.00 -3.32 -0.06 0.00 -0.13 0.00 0.00 32.58 29.07 1uiw s HIS 2 CO 0.00 -0.95 0.69 -0.51 -2.47 0.00 0.00 174.74 171.51 1uiw s LEU 3 N 0.84 4.49 0.80 8.88 1.02 -1.26 -5.08 118.68 128.37 1uiw s LEU 3 Ca 0.10 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 55.52 1uiw s LEU 3 Cb -0.22 -3.11 0.07 0.00 0.02 0.00 0.00 46.19 42.95 1uiw s LEU 3 CO -0.03 0.13 1.12 0.42 0.02 0.00 0.00 176.35 178.00 1uiw s THR 4 N -0.52 2.78 0.00 5.49 -4.23 -1.26 -4.84 115.64 113.06 1uiw s THR 4 Ca 0.34 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1uiw s THR 4 Cb -0.20 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1uiw s THR 4 CO 0.22 -0.33 0.00 -2.65 -0.54 0.00 0.00 174.62 171.31 1uiw n PRO 5 N -3.39 0.00 0.00 3.99 -0.02 -1.26 -1.65 135.00 132.67 1uiw n PRO 5 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1uiw n PRO 5 Cb 0.58 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1uiw n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1uiw n GLU 7 N 1.82 0.00 -0.21 -0.52 1.02 -1.26 -2.47 120.64 119.02 1uiw n GLU 7 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1uiw n GLU 7 Cb 0.00 -0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 1uiw n GLU 7 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1uiw h LYS 8 N 0.00 0.44 -0.62 3.49 1.57 -1.64 -0.80 116.57 119.01 1uiw h LYS 8 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1uiw h LYS 8 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1uiw h LYS 8 CO 0.00 0.29 0.39 1.03 -0.57 0.00 0.00 179.45 180.59 1uiw h SER 9 N 0.46 0.65 -0.54 0.86 0.87 -1.75 -2.51 113.55 111.59 1uiw h SER 9 Ca 0.31 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1uiw h SER 9 Cb 0.36 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1uiw h SER 9 CO -0.29 0.46 0.07 0.00 -0.53 0.00 0.00 176.83 176.54 1uiw h ALA 10 N 1.26 0.72 -0.21 6.23 0.00 -1.71 -2.12 119.26 123.42 1uiw h ALA 10 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uiw h ALA 10 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1uiw h ALA 10 CO -0.09 0.48 0.10 0.28 0.00 0.00 0.00 179.25 180.02 1uiw h VAL 11 N 0.79 1.13 -0.66 0.00 2.07 -1.04 -2.78 116.25 115.76 1uiw h VAL 11 Ca 0.16 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1uiw h VAL 11 Cb 0.44 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1uiw h VAL 11 CO 0.01 0.13 0.15 0.74 0.02 0.00 0.00 177.57 178.62 1uiw h THR 12 N 0.21 1.26 -0.08 2.57 2.02 -1.39 -1.95 112.91 115.56 1uiw h THR 12 Ca 0.07 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1uiw h THR 12 Cb 0.11 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1uiw h THR 12 CO -0.01 0.36 0.04 0.00 0.37 0.00 0.00 175.52 176.29 1uiw h ALA 13 N 1.06 0.10 -0.61 6.16 0.00 -1.36 -2.23 119.26 122.38 1uiw h ALA 13 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1uiw h ALA 13 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1uiw h ALA 13 CO 0.00 -0.37 0.24 1.25 0.00 0.00 0.00 179.25 180.38 1uiw h LEU 14 N 0.05 0.83 -1.59 0.00 5.85 -1.42 -3.11 115.31 115.92 1uiw h LEU 14 Ca 0.03 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1uiw h LEU 14 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1uiw h LEU 14 CO -0.00 0.77 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.56 1uiw h TRP 15 N 0.84 0.19 0.00 1.25 2.91 -1.19 -1.65 115.95 118.30 1uiw h TRP 15 Ca 0.20 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1uiw h TRP 15 Cb 0.20 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1uiw h TRP 15 CO 0.01 0.25 0.07 0.78 -1.03 0.00 0.00 178.44 178.52 1uiw h GLY 16 N 0.53 0.00 -1.76 2.65 0.00 -1.33 -2.04 103.07 101.12 1uiw h GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1uiw h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1uiw n LYS 17 N -2.79 1.99 -3.18 4.80 5.02 -0.62 -5.01 118.16 118.37 1uiw n LYS 17 Ca -0.02 -1.86 -0.39 0.00 -2.02 0.00 0.00 58.31 54.02 1uiw n LYS 17 Cb 0.12 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1uiw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uiw s VAL 18 N -1.54 5.12 -0.78 -0.18 1.01 -0.77 -5.02 120.40 118.24 1uiw s VAL 18 Ca 0.27 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1uiw s VAL 18 Cb 0.18 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1uiw s VAL 18 CO 0.26 0.29 1.24 0.21 0.00 0.00 0.00 175.10 177.10 1uiw s ASN 19 N 0.70 6.24 0.34 3.32 3.84 -1.26 -4.91 114.94 123.20 1uiw s ASN 19 Ca 0.32 -0.78 0.02 0.00 0.21 0.00 0.00 52.86 52.62 1uiw s ASN 19 Cb -0.16 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.60 1uiw s ASN 19 CO 0.14 -1.68 1.95 0.58 -2.79 0.00 0.00 177.10 175.30 1uiw h VAL 20 N 6.14 1.18 0.07 -5.21 2.07 -1.95 -1.35 116.25 117.19 1uiw h VAL 20 Ca -0.19 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1uiw h VAL 20 Cb 1.05 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1uiw h VAL 20 CO 1.28 0.21 -0.09 0.44 0.02 0.00 0.00 177.57 179.42 1uiw h ASP 21 N 0.75 -0.25 -0.09 0.57 5.19 -1.91 -0.03 116.42 120.65 1uiw h ASP 21 Ca 0.19 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1uiw h ASP 21 Cb 0.08 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1uiw h ASP 21 CO -0.03 -0.14 -0.05 -0.33 -3.12 0.00 0.00 179.24 175.57 1uiw h GLU 22 N -0.19 0.20 -0.35 3.56 5.08 -1.92 -2.57 114.58 118.38 1uiw h GLU 22 Ca 0.01 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1uiw h GLU 22 Cb 0.20 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1uiw h GLU 22 CO -0.04 0.57 -0.23 0.28 -1.00 0.00 0.00 179.01 178.59 1uiw h VAL 23 N -0.17 1.27 -0.16 3.13 2.07 -1.29 -1.42 116.25 119.69 1uiw h VAL 23 Ca 0.02 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1uiw h VAL 23 Cb 0.52 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1uiw h VAL 23 CO 0.02 0.44 0.06 1.23 0.02 0.00 0.00 177.57 179.33 1uiw h GLY 24 N 0.98 0.25 1.05 2.17 0.00 -1.04 -0.45 103.07 106.03 1uiw h GLY 24 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1uiw h GLY 24 CO 0.06 0.13 0.47 -1.33 0.00 0.00 0.00 176.54 175.86 1uiw h GLY 25 N 0.09 1.33 1.16 4.60 0.00 -1.33 -2.29 103.07 106.62 1uiw h GLY 25 Ca 0.05 -0.62 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1uiw h GLY 25 CO -0.00 0.59 -0.54 -2.09 0.00 0.00 0.00 176.54 174.49 1uiw h GLU 26 N 1.24 0.88 -0.13 4.80 4.57 -1.17 -2.06 114.58 122.71 1uiw h GLU 26 Ca 0.31 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1uiw h GLU 26 Cb 0.05 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1uiw h GLU 26 CO -0.05 1.19 0.01 0.00 -1.18 0.00 0.00 179.01 178.98 1uiw h ALA 27 N 0.69 0.17 -0.44 2.92 0.00 -0.99 -1.22 119.26 120.39 1uiw h ALA 27 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1uiw h ALA 27 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1uiw h ALA 27 CO 0.12 -0.15 -0.10 1.25 0.00 0.00 0.00 179.25 180.37 1uiw h LEU 28 N -0.04 0.85 -0.27 0.00 5.85 -1.48 -1.74 115.31 118.49 1uiw h LEU 28 Ca 0.04 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1uiw h LEU 28 Cb 0.34 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1uiw h LEU 28 CO 0.01 1.01 -0.05 1.23 -0.34 0.00 0.00 178.44 180.30 1uiw h GLY 29 N 0.68 0.21 1.63 3.75 0.00 -1.37 -2.56 103.07 105.40 1uiw h GLY 29 Ca 0.11 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1uiw h GLY 29 CO 0.04 -0.09 -0.06 3.21 0.00 0.00 0.00 176.54 179.64 1uiw h ARG 30 N 0.02 0.46 -0.50 4.80 3.08 -1.14 -1.99 114.38 119.10 1uiw h ARG 30 Ca 0.13 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.13 1uiw h ARG 30 Cb 0.19 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1uiw h ARG 30 CO -0.26 0.54 0.20 1.25 -1.07 0.00 0.00 179.97 180.62 1uiw h LEU 31 N 0.44 0.22 -0.83 3.04 5.85 -0.99 0.55 115.31 123.58 1uiw h LEU 31 Ca 0.09 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1uiw h LEU 31 Cb 0.39 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1uiw h LEU 31 CO 0.02 0.16 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.82 1uiw h LEU 32 N 0.39 0.00 0.10 2.25 4.07 -1.06 -1.99 115.31 119.06 1uiw h LEU 32 Ca 0.24 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.03 1uiw h LEU 32 Cb 0.23 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.98 1uiw h LEU 32 CO -0.23 0.39 -0.78 0.58 -1.08 0.00 0.00 178.44 177.32 1uiw h VAL 33 N 0.00 1.45 0.08 1.22 2.07 -1.05 -3.30 116.25 116.72 1uiw h VAL 33 Ca -0.00 -2.45 -0.26 0.00 0.82 0.00 0.00 66.70 64.81 1uiw h VAL 33 Cb 0.95 3.09 0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1uiw h VAL 33 CO 0.05 0.66 -1.13 0.58 0.02 0.00 0.00 177.57 177.75 1uiw h VAL 34 N -0.54 1.40 -2.45 2.57 2.07 -0.94 -3.37 116.25 114.99 1uiw h VAL 34 Ca -0.16 -2.66 -0.60 0.00 0.82 0.00 0.00 66.70 64.11 1uiw h VAL 34 Cb 1.50 2.68 -0.42 0.00 -1.52 0.00 0.00 31.29 33.53 1uiw h VAL 34 CO 0.08 0.79 -0.65 -1.22 0.02 0.00 0.00 177.57 176.59 1uiw n TYR 35 N -3.69 2.96 0.28 1.57 4.01 -0.75 -4.99 117.16 116.56 1uiw n TYR 35 Ca -0.09 -4.11 0.11 0.00 -0.16 0.00 0.00 57.90 53.65 1uiw n TYR 35 Cb 0.94 -0.52 0.53 0.00 -0.31 0.00 0.00 39.34 39.98 1uiw n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1uiw n PRO 36 N 1.32 0.17 0.30 -0.72 -0.04 -1.24 -1.77 135.00 133.01 1uiw n PRO 36 Ca 0.26 0.52 0.16 0.00 -0.04 0.00 0.00 63.50 64.40 1uiw n PRO 36 Cb 0.41 -1.90 0.92 0.00 -0.04 0.00 0.00 33.50 32.88 1uiw n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1uiw h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -2.37 115.95 112.29 1uiw h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1uiw h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1uiw h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1uiw n THR 38 N -3.70 1.11 0.28 0.12 -2.24 -0.73 -2.39 114.28 106.72 1uiw n THR 38 Ca -0.03 0.55 0.14 0.00 -2.27 0.00 0.00 64.05 62.44 1uiw n THR 38 Cb 0.11 -1.52 0.67 0.00 -2.10 0.00 0.00 70.33 67.50 1uiw n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1uiw h GLN 39 N 0.00 0.00 -0.54 -0.78 4.20 -1.65 -3.22 115.11 113.12 1uiw h GLN 39 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1uiw h GLN 39 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1uiw h GLN 39 CO 0.00 0.00 0.46 0.07 -0.67 0.00 0.00 178.83 178.69 1uiw h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.72 -0.83 114.38 113.40 1uiw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1uiw h ARG 40 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1uiw h ARG 40 CO 0.00 0.00 -0.24 1.19 0.10 0.00 0.00 179.97 181.02 1uiw n PHE 41 N -4.01 0.00 -1.94 4.08 3.72 -1.22 -4.50 117.46 113.60 1uiw n PHE 41 Ca 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1uiw n PHE 41 Cb 0.68 -0.27 0.14 0.00 -0.94 0.00 0.00 39.48 39.09 1uiw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uiw n PHE 42 N -1.22 0.24 0.02 1.38 3.72 -0.32 -4.77 117.46 116.50 1uiw n PHE 42 Ca 0.09 -1.28 0.04 0.00 -0.05 0.00 0.00 57.45 56.25 1uiw n PHE 42 Cb 0.32 -0.23 0.42 0.00 -0.94 0.00 0.00 39.48 39.06 1uiw n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1uiw h GLU 43 N 1.14 0.50 0.00 -1.08 9.09 -1.79 -1.85 114.58 120.58 1uiw h GLU 43 Ca -0.05 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1uiw h GLU 43 Cb 1.31 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1uiw h GLU 43 CO 0.09 0.35 0.00 -1.13 0.05 0.00 0.00 179.01 178.37 1uiw n SER 44 N -4.46 0.00 -0.01 3.06 3.41 -1.26 -2.95 113.62 111.42 1uiw n SER 44 Ca 0.02 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1uiw n SER 44 Cb 0.08 -0.49 0.57 0.00 -0.26 0.00 0.00 64.21 64.11 1uiw n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1uiw n PHE 45 N -1.49 0.00 -0.23 7.33 3.01 -0.70 -5.03 117.46 120.35 1uiw n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1uiw n PHE 45 Cb 0.15 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1uiw n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uiw n GLY 46 N 1.47 0.73 3.60 1.37 0.00 -1.15 -4.77 105.19 106.43 1uiw n GLY 46 Ca 0.08 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1uiw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uiw s ASP 47 N -4.00 5.97 -0.12 1.61 2.15 -1.26 -4.86 116.67 116.16 1uiw s ASP 47 Ca 0.00 1.24 0.16 0.00 0.43 0.00 0.00 52.55 54.38 1uiw s ASP 47 Cb 0.00 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.47 1uiw s ASP 47 CO 0.00 -1.66 1.18 0.18 -0.17 0.00 0.00 175.17 174.70 1uiw n LEU 48 N 10.01 1.91 0.15 -1.34 4.77 -1.26 -4.31 117.00 126.94 1uiw n LEU 48 Ca 0.22 -2.98 0.12 0.00 -0.03 0.00 0.00 56.01 53.34 1uiw n LEU 48 Cb 0.47 -0.31 0.27 0.00 -2.33 0.00 0.00 43.42 41.52 1uiw n LEU 48 CO 0.69 0.95 0.77 0.77 -1.33 0.00 0.00 177.39 179.24 1uiw h SER 49 N 0.82 0.00 -5.14 -1.43 4.64 -1.92 -3.44 113.55 107.08 1uiw h SER 49 Ca -0.08 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1uiw h SER 49 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.27 1uiw h SER 49 CO 0.03 0.01 -0.40 0.28 -0.87 0.00 0.00 176.83 175.88 1uiw s THR 50 N -3.17 0.14 0.18 2.95 -1.32 -1.26 -5.04 115.64 108.13 1uiw s THR 50 Ca 0.08 -1.15 -0.15 0.00 -1.21 0.00 0.00 61.69 59.26 1uiw s THR 50 Cb 0.09 -1.25 0.13 0.00 -1.51 0.00 0.00 72.50 69.97 1uiw s THR 50 CO 0.65 -0.64 1.66 -0.65 -2.21 0.00 0.00 174.62 173.43 1uiw h PRO 51 N 2.95 0.03 -0.89 7.08 0.11 -1.99 -0.22 132.00 139.07 1uiw h PRO 51 Ca -0.34 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1uiw h PRO 51 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1uiw h PRO 51 CO 0.55 0.02 0.59 -0.44 -0.21 0.00 0.00 178.00 178.51 1uiw h ASP 52 N 0.04 1.00 -0.36 -2.05 3.32 -1.98 -0.59 116.42 115.79 1uiw h ASP 52 Ca 0.24 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1uiw h ASP 52 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1uiw h ASP 52 CO -0.46 0.71 -0.07 0.00 -1.72 0.00 0.00 179.24 177.69 1uiw h ALA 53 N 1.46 0.49 0.27 3.45 0.00 -1.74 -1.53 119.26 121.66 1uiw h ALA 53 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1uiw h ALA 53 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1uiw h ALA 53 CO -0.09 0.33 -0.13 0.28 0.00 0.00 0.00 179.25 179.64 1uiw h VAL 54 N 0.48 0.76 -0.51 0.00 2.07 -0.85 -1.98 116.25 116.22 1uiw h VAL 54 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1uiw h VAL 54 Cb 0.58 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1uiw h VAL 54 CO 0.03 0.05 0.28 0.24 0.02 0.00 0.00 177.57 178.19 1uiw h MET 55 N -0.48 0.69 -0.19 1.57 2.07 -1.11 -2.82 114.93 114.65 1uiw h MET 55 Ca -0.04 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1uiw h MET 55 Cb 0.36 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1uiw h MET 55 CO 0.06 0.51 0.00 0.41 1.07 0.00 0.00 176.91 178.96 1uiw n GLY 56 N -1.30 0.92 3.65 8.32 0.00 -0.58 -4.85 105.19 111.36 1uiw n GLY 56 Ca 0.04 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1uiw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uiw s ASN 57 N -1.70 6.70 0.50 1.61 3.84 -0.75 -4.93 114.94 120.20 1uiw s ASN 57 Ca 0.34 1.93 0.17 0.00 0.21 0.00 0.00 52.86 55.52 1uiw s ASN 57 Cb 0.20 -2.53 1.22 0.00 -0.55 0.00 0.00 41.25 39.59 1uiw s ASN 57 CO 0.30 -0.94 2.07 1.55 -2.79 0.00 0.00 177.10 177.29 1uiw h PRO 58 N 9.35 0.13 0.04 0.43 0.13 -1.90 -1.65 132.00 138.53 1uiw h PRO 58 Ca -0.34 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.55 1uiw h PRO 58 Cb 1.15 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1uiw h PRO 58 CO 0.97 0.09 -1.02 0.87 -0.23 0.00 0.00 178.00 178.68 1uiw h LYS 59 N 0.13 0.26 -0.22 0.86 1.57 -1.92 -1.76 116.57 115.50 1uiw h LYS 59 Ca 0.13 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1uiw h LYS 59 Cb 0.36 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1uiw h LYS 59 CO -0.02 1.08 0.10 0.28 -0.57 0.00 0.00 179.45 180.32 1uiw h VAL 60 N 0.12 1.14 -0.38 0.50 2.07 -1.79 -1.61 116.25 116.31 1uiw h VAL 60 Ca -0.08 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1uiw h VAL 60 Cb 1.69 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1uiw h VAL 60 CO 0.16 0.14 0.23 0.11 0.02 0.00 0.00 177.57 178.24 1uiw h LYS 61 N 0.21 0.51 -0.60 1.57 1.57 -1.33 -1.30 116.57 117.22 1uiw h LYS 61 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uiw h LYS 61 Cb 0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1uiw h LYS 61 CO -0.01 0.38 0.37 0.00 -0.57 0.00 0.00 179.45 179.62 1uiw h ALA 62 N 1.11 0.76 -0.28 3.86 0.00 -1.29 -2.03 119.26 121.38 1uiw h ALA 62 Ca 0.14 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1uiw h ALA 62 Cb -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1uiw h ALA 62 CO -0.03 0.23 -0.55 1.25 0.00 0.00 0.00 179.25 180.15 1uiw h HIS 63 N 0.81 1.07 -0.70 0.00 -0.00 -1.16 -2.56 115.15 112.60 1uiw h HIS 63 Ca 0.22 -0.39 0.09 0.00 -0.00 0.00 0.00 60.37 60.29 1uiw h HIS 63 Cb -0.03 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.11 1uiw h HIS 63 CO -0.02 1.21 0.36 0.78 -0.00 0.00 0.00 177.93 180.25 1uiw h GLY 64 N 0.72 1.05 1.01 5.26 0.00 -1.17 -0.26 103.07 109.67 1uiw h GLY 64 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1uiw h GLY 64 CO 0.12 0.07 0.48 1.70 0.00 0.00 0.00 176.54 178.92 1uiw h LYS 65 N 0.61 0.96 -0.09 4.80 3.64 -1.27 -1.79 116.57 123.44 1uiw h LYS 65 Ca 0.34 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1uiw h LYS 65 Cb 0.34 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1uiw h LYS 65 CO -0.26 0.63 0.02 -0.22 -2.27 0.00 0.00 179.45 177.36 1uiw h LYS 66 N 0.99 0.15 -0.36 1.90 3.64 -1.01 -1.33 116.57 120.55 1uiw h LYS 66 Ca 0.27 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1uiw h LYS 66 Cb -0.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1uiw h LYS 66 CO -0.06 0.34 0.22 0.28 -2.27 0.00 0.00 179.45 177.97 1uiw h VAL 67 N -0.08 1.11 0.00 2.00 2.07 -1.02 -2.61 116.25 117.73 1uiw h VAL 67 Ca 0.03 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1uiw h VAL 67 Cb 0.27 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1uiw h VAL 67 CO 0.00 0.11 -0.42 -0.07 0.02 0.00 0.00 177.57 177.21 1uiw h LEU 68 N 0.47 0.00 -0.60 2.57 3.38 -1.33 -2.04 115.31 117.76 1uiw h LEU 68 Ca 0.13 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1uiw h LEU 68 Cb -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1uiw h LEU 68 CO -0.03 0.42 0.37 1.23 0.09 0.00 0.00 178.44 180.52 1uiw h GLY 69 N 2.09 0.86 1.30 0.83 0.00 -1.01 -0.56 103.07 106.57 1uiw h GLY 69 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1uiw h GLY 69 CO 0.05 0.23 -0.42 0.00 0.00 0.00 0.00 176.54 176.41 1uiw h ALA 70 N 1.26 0.68 -0.56 3.60 0.00 -1.17 -2.32 119.26 120.75 1uiw h ALA 70 Ca 0.24 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1uiw h ALA 70 Cb 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1uiw h ALA 70 CO -0.10 0.67 0.21 0.35 0.00 0.00 0.00 179.25 180.37 1uiw h PHE 71 N 0.62 0.37 -0.52 0.00 3.04 -1.22 -2.41 116.94 116.82 1uiw h PHE 71 Ca 0.05 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.04 1uiw h PHE 71 Cb 0.97 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1uiw h PHE 71 CO 0.05 0.11 0.33 0.77 -2.02 0.00 0.00 178.31 177.55 1uiw h SER 72 N 0.39 0.56 -0.60 0.41 0.02 -0.89 -2.06 113.55 111.38 1uiw h SER 72 Ca 0.28 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1uiw h SER 72 Cb 0.32 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1uiw h SER 72 CO -0.28 0.40 0.40 0.44 -1.14 0.00 0.00 176.83 176.65 1uiw h ASP 73 N 0.67 0.57 0.02 3.07 3.32 -1.17 -2.46 116.42 120.43 1uiw h ASP 73 Ca 0.20 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1uiw h ASP 73 Cb -0.04 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1uiw h ASP 73 CO -0.06 0.38 -0.01 1.23 -1.72 0.00 0.00 179.24 179.06 1uiw h GLY 74 N 0.65 0.00 1.91 2.75 0.00 -0.87 -2.47 103.07 105.03 1uiw h GLY 74 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1uiw h GLY 74 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 1uiw n LEU 75 N -4.26 0.00 -0.54 3.11 4.77 -0.93 -1.24 117.00 117.92 1uiw n LEU 75 Ca -0.03 0.45 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1uiw n LEU 75 Cb 0.10 -0.45 0.43 0.00 -2.33 0.00 0.00 43.42 41.17 1uiw n LEU 75 CO 0.32 -0.25 0.81 0.00 -1.33 0.00 0.00 177.39 176.94 1uiw n ALA 76 N -1.45 2.54 -2.57 -1.18 0.00 -0.93 -4.29 120.51 112.63 1uiw n ALA 76 Ca 0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1uiw n ALA 76 Cb 0.14 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.51 1uiw n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uiw n HIS 77 N 0.29 1.84 0.26 0.00 8.25 -0.37 -4.94 115.22 120.55 1uiw n HIS 77 Ca 0.17 -2.45 0.11 0.00 -0.26 0.00 0.00 57.72 55.29 1uiw n HIS 77 Cb 0.35 -0.27 0.69 0.00 1.12 0.00 0.00 29.99 31.88 1uiw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1uiw h LEU 78 N 2.61 0.00 -1.36 2.41 3.38 -1.75 -0.37 115.31 120.24 1uiw h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uiw h LEU 78 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1uiw h LEU 78 CO 0.47 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.58 1uiw n ASP 79 N -3.96 2.05 -2.82 -0.43 8.00 -1.26 -4.39 116.55 113.74 1uiw n ASP 79 Ca -0.02 -1.76 -0.11 0.00 0.71 0.00 0.00 54.79 53.61 1uiw n ASP 79 Cb 0.20 -0.11 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1uiw n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uiw n ASN 80 N 0.58 -0.46 -0.01 -2.24 5.15 -0.18 -4.98 115.26 113.11 1uiw n ASN 80 Ca 0.17 -2.96 0.01 0.00 -0.60 0.00 0.00 54.58 51.20 1uiw n ASN 80 Cb 0.40 0.43 0.33 0.00 -0.53 0.00 0.00 39.78 40.41 1uiw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1uiw h LEU 81 N 2.75 0.49 -0.42 1.20 3.38 -1.67 -2.79 115.31 118.25 1uiw h LEU 81 Ca -0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1uiw h LEU 81 Cb 1.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1uiw h LEU 81 CO 0.27 0.51 0.07 0.11 0.09 0.00 0.00 178.44 179.49 1uiw h LYS 82 N 0.53 0.69 -0.24 1.13 1.57 -1.89 -1.91 116.57 116.44 1uiw h LYS 82 Ca 0.12 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1uiw h LYS 82 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1uiw h LYS 82 CO -0.00 0.73 0.12 0.78 -0.57 0.00 0.00 179.45 180.50 1uiw h GLY 83 N 0.55 0.32 2.00 3.86 0.00 -1.93 -2.78 103.07 105.10 1uiw h GLY 83 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 1uiw h GLY 83 CO 0.01 0.07 -0.55 0.00 0.00 0.00 0.00 176.54 176.07 1uiw h THR 84 N 0.26 1.32 -0.59 4.70 1.03 -1.36 -3.17 112.91 115.10 1uiw h THR 84 Ca 0.10 -1.94 0.00 0.00 -0.01 0.00 0.00 66.41 64.56 1uiw h THR 84 Cb 0.03 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 1uiw h THR 84 CO -0.07 0.54 0.00 0.49 -0.01 0.00 0.00 175.52 176.47 1uiw n PHE 85 N -3.77 0.78 -0.20 0.00 3.72 -0.73 -4.58 117.46 112.68 1uiw n PHE 85 Ca -0.01 -0.39 -0.07 0.00 -0.05 0.00 0.00 57.45 56.93 1uiw n PHE 85 Cb 0.58 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.15 1uiw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uiw h ALA 86 N 4.39 0.73 -0.05 4.37 0.00 -1.46 -0.60 119.26 126.65 1uiw h ALA 86 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uiw h ALA 86 Cb 0.97 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1uiw h ALA 86 CO 0.00 0.20 0.03 1.15 0.00 0.00 0.00 179.25 180.63 1uiw h THR 87 N 0.78 1.05 0.00 0.00 2.02 -1.83 -2.74 112.91 112.19 1uiw h THR 87 Ca 0.21 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1uiw h THR 87 Cb -0.04 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1uiw h THR 87 CO -0.04 0.04 -0.23 -0.07 0.37 0.00 0.00 175.52 175.60 1uiw h LEU 88 N 0.01 0.00 0.02 2.58 3.38 -1.83 -2.44 115.31 117.04 1uiw h LEU 88 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uiw h LEU 88 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1uiw h LEU 88 CO -0.00 0.23 -0.01 -1.28 0.09 0.00 0.00 178.44 177.46 1uiw h SER 89 N 0.00 -0.03 -0.84 -0.43 0.87 -0.91 -1.75 113.55 110.46 1uiw h SER 89 Ca -0.00 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1uiw h SER 89 Cb 0.48 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1uiw h SER 89 CO 0.03 0.21 0.55 -0.08 -0.53 0.00 0.00 176.83 177.01 1uiw h GLU 90 N -0.27 1.07 -0.26 2.24 4.57 -1.35 -2.01 114.58 118.57 1uiw h GLU 90 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1uiw h GLU 90 Cb 0.26 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1uiw h GLU 90 CO 0.01 0.71 0.13 1.25 -1.18 0.00 0.00 179.01 179.92 1uiw h LEU 91 N 1.10 0.34 -1.10 1.64 5.85 -1.35 -0.98 115.31 120.82 1uiw h LEU 91 Ca 0.32 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1uiw h LEU 91 Cb -0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1uiw h LEU 91 CO -0.09 0.37 -0.34 0.45 -0.34 0.00 0.00 178.44 178.49 1uiw h HIS 92 N 0.29 0.22 0.31 1.25 3.86 -1.15 -1.33 115.15 118.60 1uiw h HIS 92 Ca 0.09 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1uiw h HIS 92 Cb 0.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1uiw h HIS 92 CO -0.02 0.52 -0.15 0.00 0.86 0.00 0.00 177.93 179.14 1uiw h ASP 94 N -1.02 0.19 0.04 0.00 1.82 -1.22 -3.25 116.42 112.98 1uiw h ASP 94 Ca -0.04 -0.39 -0.38 0.00 -0.39 0.00 0.00 57.03 55.82 1uiw h ASP 94 Cb 0.46 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.35 1uiw h ASP 94 CO 0.07 1.35 -2.35 0.29 -1.61 0.00 0.00 179.24 176.99 1uiw n LYS 95 N -3.26 0.67 0.00 0.28 4.76 -0.57 -4.67 118.16 115.39 1uiw n LYS 95 Ca -0.21 0.15 0.10 0.00 -2.87 0.00 0.00 58.31 55.48 1uiw n LYS 95 Cb 1.05 -1.56 -0.14 0.00 -1.84 0.00 0.00 35.03 32.53 1uiw n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uiw n LEU 96 N -3.22 0.13 -3.75 -0.35 4.77 -0.81 -5.02 117.00 108.76 1uiw n LEU 96 Ca -0.41 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.39 1uiw n LEU 96 Cb 1.03 0.01 0.03 0.00 -2.33 0.00 0.00 43.42 42.16 1uiw n LEU 96 CO 0.32 -0.00 -0.04 1.41 -1.33 0.00 0.00 177.39 177.75 1uiw n HIS 97 N -2.35 -1.97 -3.50 -1.77 8.25 -0.61 -4.98 115.22 108.28 1uiw n HIS 97 Ca -0.05 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.86 1uiw n HIS 97 Cb 0.60 -4.29 -0.10 0.00 1.12 0.00 0.00 29.99 27.32 1uiw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uiw s VAL 98 N -3.62 5.25 0.05 1.59 1.01 -0.68 -5.05 120.40 118.96 1uiw s VAL 98 Ca 0.13 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.79 1uiw s VAL 98 Cb -0.06 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 1uiw s VAL 98 CO 0.82 0.05 1.74 -0.67 0.00 0.00 0.00 175.10 177.04 1uiw n ASP 99 N 5.18 3.35 0.17 3.32 -0.08 -1.26 -4.75 116.55 122.49 1uiw n ASP 99 Ca -0.12 1.02 0.12 0.00 -1.51 0.00 0.00 54.79 54.31 1uiw n ASP 99 Cb 0.50 -1.42 0.62 0.00 2.34 0.00 0.00 41.12 43.17 1uiw n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uiw h PRO 100 N 7.61 0.00 -0.64 -0.67 0.11 -1.97 -1.98 132.00 134.46 1uiw h PRO 100 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.82 1uiw h PRO 100 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1uiw h PRO 100 CO 0.92 0.00 0.45 1.49 -0.21 0.00 0.00 178.00 180.65 1uiw h GLU 101 N 0.00 0.07 -0.62 1.05 4.57 -1.98 -1.31 114.58 116.36 1uiw h GLU 101 Ca 0.00 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1uiw h GLU 101 Cb 0.03 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1uiw h GLU 101 CO 0.00 0.05 0.41 -0.91 -1.18 0.00 0.00 179.01 177.38 1uiw h ASN 102 N 0.08 0.66 -0.40 1.04 4.21 -1.73 -2.21 115.58 117.22 1uiw h ASN 102 Ca 0.31 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.73 1uiw h ASN 102 Cb 1.11 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 1uiw h ASN 102 CO -0.03 0.47 -0.02 -0.26 -1.29 0.00 0.00 177.43 176.31 1uiw h PHE 103 N 0.78 0.86 -0.33 1.19 0.04 -1.44 -1.66 116.94 116.37 1uiw h PHE 103 Ca 0.24 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 1uiw h PHE 103 Cb -0.00 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1uiw h PHE 103 CO -0.00 0.80 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.20 1uiw h ARG 104 N 0.75 0.74 -0.80 1.51 9.65 -1.45 -2.11 114.38 122.67 1uiw h ARG 104 Ca 0.14 -0.35 0.02 0.00 -1.10 0.00 0.00 59.98 58.69 1uiw h ARG 104 Cb 0.48 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 1uiw h ARG 104 CO 0.02 0.97 0.52 -0.07 2.80 0.00 0.00 179.97 184.21 1uiw h LEU 105 N 0.51 0.89 -0.65 3.80 3.38 -1.30 -2.36 115.31 119.58 1uiw h LEU 105 Ca 0.07 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1uiw h LEU 105 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1uiw h LEU 105 CO 0.06 0.63 -0.34 0.25 0.09 0.00 0.00 178.44 179.13 1uiw h LEU 106 N 1.05 0.70 -0.87 1.67 5.85 -1.27 -2.32 115.31 120.13 1uiw h LEU 106 Ca 0.30 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1uiw h LEU 106 Cb -0.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1uiw h LEU 106 CO -0.08 0.99 0.56 1.23 -0.34 0.00 0.00 178.44 180.79 1uiw h GLY 107 N 0.99 1.24 1.62 3.75 0.00 -1.14 -0.40 103.07 109.12 1uiw h GLY 107 Ca 0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 1uiw h GLY 107 CO 0.07 0.47 -0.72 3.43 0.00 0.00 0.00 176.54 179.79 1uiw h ASN 108 N 1.18 0.44 -0.48 0.19 2.35 -1.20 -2.23 115.58 115.83 1uiw h ASN 108 Ca 0.32 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1uiw h ASN 108 Cb -0.10 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1uiw h ASN 108 CO -0.06 1.02 0.20 0.58 -1.65 0.00 0.00 177.43 177.52 1uiw h VAL 109 N 0.26 1.21 -0.54 2.81 2.07 -1.22 -2.54 116.25 118.29 1uiw h VAL 109 Ca -0.03 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1uiw h VAL 109 Cb 1.29 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1uiw h VAL 109 CO 0.12 0.24 0.18 0.25 0.02 0.00 0.00 177.57 178.38 1uiw h LEU 110 N 0.64 0.15 -0.71 2.57 5.85 -0.96 -0.71 115.31 122.15 1uiw h LEU 110 Ca 0.16 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1uiw h LEU 110 Cb 0.18 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1uiw h LEU 110 CO -0.01 0.11 0.41 0.58 -0.34 0.00 0.00 178.44 179.18 1uiw h VAL 111 N 0.35 0.99 -0.78 1.05 2.07 -1.24 -1.02 116.25 117.67 1uiw h VAL 111 Ca 0.27 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1uiw h VAL 111 Cb 0.32 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1uiw h VAL 111 CO -0.29 0.14 0.30 0.00 0.02 0.00 0.00 177.57 177.75 1uiw h VAL 113 N 1.14 1.23 -0.84 0.00 2.07 -0.77 -1.08 116.25 118.00 1uiw h VAL 113 Ca 0.26 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1uiw h VAL 113 Cb 0.23 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1uiw h VAL 113 CO -0.02 0.27 0.56 -0.07 0.02 0.00 0.00 177.57 178.32 1uiw h LEU 114 N 0.53 0.96 -0.57 2.57 3.38 -1.08 -1.40 115.31 119.70 1uiw h LEU 114 Ca 0.13 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1uiw h LEU 114 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1uiw h LEU 114 CO -0.00 0.69 -0.17 0.00 0.09 0.00 0.00 178.44 179.05 1uiw h ALA 115 N 1.31 0.76 -0.55 1.53 0.00 -1.22 -0.88 119.26 120.21 1uiw h ALA 115 Ca 0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1uiw h ALA 115 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1uiw h ALA 115 CO -0.07 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.28 1uiw h HIS 116 N 0.85 0.88 0.05 0.00 -0.00 -1.01 -1.59 115.15 114.33 1uiw h HIS 116 Ca 0.12 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1uiw h HIS 116 Cb 0.73 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1uiw h HIS 116 CO 0.05 0.74 -0.02 1.25 -0.00 0.00 0.00 177.93 179.94 1uiw h HIS 117 N 0.77 -0.06 0.00 5.26 6.17 -1.17 -3.36 115.15 122.75 1uiw h HIS 117 Ca 0.18 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1uiw h HIS 117 Cb 0.26 0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.22 1uiw h HIS 117 CO 0.02 0.38 -0.61 1.19 0.71 0.00 0.00 177.93 179.61 1uiw n PHE 118 N -4.91 0.45 -0.35 5.26 3.72 -0.34 -5.03 117.46 116.27 1uiw n PHE 118 Ca -0.08 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1uiw n PHE 118 Cb 0.24 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1uiw n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uiw n GLY 119 N 1.37 3.37 0.30 1.37 0.00 -0.60 -2.47 105.19 108.52 1uiw n GLY 119 Ca 0.04 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.11 1uiw n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uiw h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -1.33 116.57 114.89 1uiw h LYS 120 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1uiw h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1uiw h LYS 120 CO 0.00 0.01 -0.01 1.49 -0.00 0.00 0.00 179.45 180.94 1uiw h GLU 121 N 0.00 0.00 -4.29 0.07 4.81 -1.89 -3.29 114.58 109.99 1uiw h GLU 121 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1uiw h GLU 121 Cb 0.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 1uiw h GLU 121 CO 0.00 0.01 2.45 0.34 -0.73 0.00 0.00 179.01 181.09 1uiw n PHE 122 N -4.04 3.75 -1.40 0.92 7.35 -0.50 -4.95 117.46 118.58 1uiw n PHE 122 Ca -0.03 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.41 1uiw n PHE 122 Cb 0.10 -2.36 0.10 0.00 0.35 0.00 0.00 39.48 37.67 1uiw n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uiw s THR 123 N 2.42 3.10 0.22 -2.13 -4.23 -1.24 -4.71 115.64 109.06 1uiw s THR 123 Ca 0.46 0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 61.25 1uiw s THR 123 Cb 0.09 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1uiw s THR 123 CO -0.02 -0.47 1.71 -0.65 -0.54 0.00 0.00 174.62 174.65 1uiw h PRO 124 N -1.20 0.30 -0.66 3.99 0.11 -1.94 -1.00 132.00 131.61 1uiw h PRO 124 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1uiw h PRO 124 Cb 1.26 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1uiw h PRO 124 CO 0.56 0.20 0.35 -1.35 -0.21 0.00 0.00 178.00 177.55 1uiw h PRO 125 N 0.31 0.91 -0.43 1.05 0.11 -2.00 -2.04 132.00 129.91 1uiw h PRO 125 Ca 0.35 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 1uiw h PRO 125 Cb 0.53 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1uiw h PRO 125 CO -0.41 0.67 0.01 0.28 -0.21 0.00 0.00 178.00 178.35 1uiw h VAL 126 N 0.92 1.26 -0.50 3.15 2.07 -1.76 -2.67 116.25 118.71 1uiw h VAL 126 Ca 0.23 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1uiw h VAL 126 Cb 0.04 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1uiw h VAL 126 CO -0.04 0.34 0.26 -0.61 0.02 0.00 0.00 177.57 177.55 1uiw h GLN 127 N 0.59 0.49 -0.95 1.57 4.15 -1.08 -2.03 115.11 117.85 1uiw h GLN 127 Ca 0.12 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1uiw h GLN 127 Cb 0.47 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1uiw h GLN 127 CO 0.02 0.32 0.63 0.00 -1.93 0.00 0.00 178.83 177.87 1uiw h ALA 128 N 1.27 1.21 -0.48 3.38 0.00 -1.19 0.55 119.26 124.01 1uiw h ALA 128 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1uiw h ALA 128 Cb 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uiw h ALA 128 CO -0.15 0.58 0.18 0.00 0.00 0.00 0.00 179.25 179.86 1uiw h ALA 129 N 1.35 0.62 -0.10 0.00 0.00 -1.22 -2.65 119.26 117.26 1uiw h ALA 129 Ca 0.35 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1uiw h ALA 129 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1uiw h ALA 129 CO -0.08 0.24 -0.29 1.88 0.00 0.00 0.00 179.25 181.00 1uiw h TYR 130 N 0.63 0.21 -0.71 0.00 0.05 -0.84 -2.46 116.97 113.85 1uiw h TYR 130 Ca 0.16 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 1uiw h TYR 130 Cb 0.21 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 1uiw h TYR 130 CO 0.01 0.46 0.32 1.96 -1.05 0.00 0.00 178.16 179.86 1uiw h GLN 131 N 0.17 1.04 -0.70 4.88 1.08 -0.77 -0.67 115.11 120.13 1uiw h GLN 131 Ca 0.02 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1uiw h GLN 131 Cb 0.60 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 1uiw h GLN 131 CO 0.04 0.83 0.42 0.87 -0.95 0.00 0.00 178.83 180.05 1uiw h LYS 132 N 1.00 0.79 0.14 1.46 1.57 -1.16 -2.07 116.57 118.30 1uiw h LYS 132 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1uiw h LYS 132 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uiw h LYS 132 CO -0.03 0.52 -0.07 0.28 -0.57 0.00 0.00 179.45 179.59 1uiw h VAL 133 N 0.81 0.95 -0.49 0.50 2.07 -1.06 -1.62 116.25 117.42 1uiw h VAL 133 Ca 0.29 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1uiw h VAL 133 Cb 0.07 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1uiw h VAL 133 CO -0.13 0.09 0.09 -0.37 0.02 0.00 0.00 177.57 177.27 1uiw h VAL 134 N -0.38 1.22 -0.46 2.57 -1.51 -1.09 -1.06 116.25 115.54 1uiw h VAL 134 Ca -0.02 -0.83 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 1uiw h VAL 134 Cb 0.30 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 1uiw h VAL 134 CO 0.03 0.30 0.08 0.00 -1.23 0.00 0.00 177.57 176.75 1uiw h ALA 135 N 1.37 0.61 -0.88 5.19 0.00 -1.39 -2.00 119.26 122.15 1uiw h ALA 135 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1uiw h ALA 135 Cb 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1uiw h ALA 135 CO 0.00 0.33 0.47 0.78 0.00 0.00 0.00 179.25 180.84 1uiw h GLY 136 N 0.62 1.32 0.83 0.00 0.00 -0.82 -1.09 103.07 103.94 1uiw h GLY 136 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1uiw h GLY 136 CO 0.01 0.58 -0.20 -2.08 0.00 0.00 0.00 176.54 174.85 1uiw h VAL 137 N 1.24 1.33 -0.50 4.60 2.07 -1.15 -1.37 116.25 122.46 1uiw h VAL 137 Ca 0.31 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1uiw h VAL 137 Cb 0.04 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1uiw h VAL 137 CO -0.05 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.27 1uiw h ALA 138 N 0.64 0.64 -0.88 1.67 0.00 -1.30 -1.15 119.26 118.87 1uiw h ALA 138 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uiw h ALA 138 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1uiw h ALA 138 CO 0.05 0.03 0.46 -0.91 0.00 0.00 0.00 179.25 178.88 1uiw h ASN 139 N 0.63 1.11 -0.48 0.00 -0.26 -1.17 -1.78 115.58 113.64 1uiw h ASN 139 Ca 0.19 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1uiw h ASN 139 Cb -0.02 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1uiw h ASN 139 CO -0.07 0.91 0.02 0.00 -1.06 0.00 0.00 177.43 177.23 1uiw h ALA 140 N 1.27 0.64 0.00 -0.83 0.00 -0.97 -2.22 119.26 117.15 1uiw h ALA 140 Ca 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1uiw h ALA 140 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1uiw h ALA 140 CO -0.05 0.42 -0.22 -0.07 0.00 0.00 0.00 179.25 179.34 1uiw h LEU 141 N 0.69 0.00 0.00 0.00 3.38 -1.07 -2.77 115.31 115.54 1uiw h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1uiw h LEU 141 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1uiw h LEU 141 CO 0.02 0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.51 1uiw h ALA 142 N 1.78 0.84 -0.28 1.53 0.00 -1.11 -3.40 119.26 118.63 1uiw h ALA 142 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1uiw h ALA 142 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1uiw h ALA 142 CO 0.03 0.00 -0.00 1.25 0.00 0.00 0.00 179.25 180.53 1uiw h HIS 143 N 0.00 0.43 -0.30 0.00 6.17 -1.10 -2.81 115.15 117.54 1uiw h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1uiw h HIS 143 Cb 0.84 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1uiw h HIS 143 CO 0.00 0.44 0.00 1.63 0.71 0.00 0.00 177.93 180.71 1uiw n LYS 144 N -4.31 2.11 -1.85 5.26 4.76 -1.26 -4.98 118.16 117.88 1uiw n LYS 144 Ca 0.01 -1.67 -0.39 0.00 -2.87 0.00 0.00 58.31 53.39 1uiw n LYS 144 Cb 0.22 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 31.99 1uiw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1uiw s TYR 145 N -1.61 2.45 0.00 2.13 1.51 -1.07 -4.77 117.35 116.00 1uiw s TYR 145 Ca 0.35 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 1uiw s TYR 145 Cb 0.19 -3.80 0.00 0.00 -0.11 0.00 0.00 41.96 38.24 1uiw s TYR 145 CO 0.28 -2.73 0.00 -2.39 -1.11 0.00 0.00 175.55 169.60