#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhr s TRP 3 N 0.00 3.18 0.71 4.41 0.52 -1.26 -5.09 118.94 121.40 3dhr s TRP 3 Ca 0.00 -0.59 -0.11 0.00 0.02 0.00 0.00 56.10 55.42 3dhr s TRP 3 Cb 0.00 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.99 3dhr s TRP 3 CO 0.00 -0.46 1.07 -1.54 0.02 0.00 0.00 176.95 176.04 3dhr s SER 4 N 1.61 5.34 0.18 2.95 1.04 -1.26 -4.91 113.70 118.65 3dhr s SER 4 Ca 0.04 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 3dhr s SER 4 Cb -0.17 -2.23 0.11 0.00 0.10 0.00 0.00 66.02 63.83 3dhr s SER 4 CO 0.06 -1.44 1.83 0.00 0.98 0.00 0.00 173.24 174.67 3dhr h ALA 5 N -0.72 0.72 -0.56 5.32 0.00 -1.99 -1.96 119.26 120.06 3dhr h ALA 5 Ca -0.45 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.50 3dhr h ALA 5 Cb 1.23 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3dhr h ALA 5 CO 0.60 0.07 0.27 1.49 0.00 0.00 0.00 179.25 181.69 3dhr h GLU 6 N 0.68 0.50 -0.28 0.00 4.81 -1.99 -1.94 114.58 116.36 3dhr h GLU 6 Ca 0.22 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3dhr h GLU 6 Cb 0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3dhr h GLU 6 CO -0.09 0.33 0.11 0.93 -0.73 0.00 0.00 179.01 179.56 3dhr h GLU 7 N 0.52 0.42 -0.83 1.92 5.08 -1.85 -1.53 114.58 118.30 3dhr h GLU 7 Ca 0.25 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dhr h GLU 7 Cb 0.19 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3dhr h GLU 7 CO -0.19 0.45 0.55 0.87 -1.00 0.00 0.00 179.01 179.69 3dhr h LYS 8 N 0.30 1.08 -0.35 2.33 1.57 -1.23 -1.62 116.57 118.64 3dhr h LYS 8 Ca 0.09 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3dhr h LYS 8 Cb 0.19 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3dhr h LYS 8 CO -0.01 0.71 -0.18 1.96 -0.57 0.00 0.00 179.45 181.37 3dhr h GLN 9 N 1.11 0.66 -0.34 3.15 4.20 -1.17 -0.27 115.11 122.44 3dhr h GLN 9 Ca 0.31 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3dhr h GLN 9 Cb -0.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3dhr h GLN 9 CO -0.08 0.80 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.55 3dhr h LEU 10 N 0.59 0.82 0.14 1.46 3.38 -0.95 -1.83 115.31 118.91 3dhr h LEU 10 Ca 0.09 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3dhr h LEU 10 Cb 0.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dhr h LEU 10 CO 0.04 1.09 -0.07 0.40 0.09 0.00 0.00 178.44 180.00 3dhr h ILE 11 N 0.55 1.02 -0.56 1.22 2.04 -1.21 -3.02 117.51 117.56 3dhr h ILE 11 Ca 0.06 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 3dhr h ILE 11 Cb 0.83 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3dhr h ILE 11 CO 0.07 0.18 0.06 0.74 0.00 0.00 0.00 178.15 179.20 3dhr h THR 12 N -0.57 1.25 -0.30 -0.27 2.02 -1.11 -1.00 112.91 112.92 3dhr h THR 12 Ca -0.02 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.12 3dhr h THR 12 Cb 0.44 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3dhr h THR 12 CO 0.03 0.36 -0.05 0.77 0.37 0.00 0.00 175.52 177.00 3dhr h SER 13 N 0.85 0.56 -0.17 4.18 4.64 -1.43 -2.19 113.55 119.98 3dhr h SER 13 Ca 0.17 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3dhr h SER 13 Cb 0.42 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3dhr h SER 13 CO 0.01 0.77 0.04 0.40 -0.87 0.00 0.00 176.83 177.18 3dhr h ILE 14 N 0.33 1.21 -0.18 0.95 2.04 -1.43 -3.12 117.51 117.31 3dhr h ILE 14 Ca 0.08 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3dhr h ILE 14 Cb 0.52 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3dhr h ILE 14 CO 0.02 0.21 0.12 -0.25 0.00 0.00 0.00 178.15 178.25 3dhr h TRP 15 N 0.08 0.17 0.00 1.37 2.91 -1.17 -0.40 115.95 118.91 3dhr h TRP 15 Ca 0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3dhr h TRP 15 Cb 0.28 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 3dhr h TRP 15 CO 0.01 0.10 0.00 0.78 -1.03 0.00 0.00 178.44 178.30 3dhr h GLY 16 N 0.18 0.00 -0.19 2.65 0.00 -1.33 -2.66 103.07 101.72 3dhr h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3dhr h GLY 16 CO -0.01 0.00 -0.56 0.28 0.00 0.00 0.00 176.54 176.25 3dhr n LYS 17 N -2.88 2.20 -2.46 4.80 5.02 -0.18 -4.98 118.16 119.68 3dhr n LYS 17 Ca -0.02 -0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 55.62 3dhr n LYS 17 Cb 0.12 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3dhr n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dhr s VAL 18 N -2.17 4.21 -0.54 -0.18 1.01 -1.00 -4.97 120.40 116.76 3dhr s VAL 18 Ca 0.07 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.16 3dhr s VAL 18 Cb 0.11 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3dhr s VAL 18 CO 0.52 -0.47 1.88 0.21 0.00 0.00 0.00 175.10 177.23 3dhr s ASN 19 N 2.56 5.35 0.21 3.32 3.84 -1.26 -4.88 114.94 124.08 3dhr s ASN 19 Ca 0.54 0.59 -0.10 0.00 0.21 0.00 0.00 52.86 54.10 3dhr s ASN 19 Cb -0.16 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.17 3dhr s ASN 19 CO 0.22 -2.26 1.88 0.58 -2.79 0.00 0.00 177.10 174.72 3dhr h VAL 20 N 6.92 1.19 -0.13 -5.21 2.07 -1.95 -1.12 116.25 118.02 3dhr h VAL 20 Ca -0.27 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3dhr h VAL 20 Cb 1.17 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3dhr h VAL 20 CO 1.17 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 178.92 3dhr h ALA 21 N 1.27 0.18 -0.25 1.67 0.00 -1.90 -0.48 119.26 119.76 3dhr h ALA 21 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3dhr h ALA 21 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dhr h ALA 21 CO -0.06 -0.06 -0.11 -0.44 0.00 0.00 0.00 179.25 178.58 3dhr h ASP 22 N -0.06 0.53 0.67 0.00 3.32 -1.92 -1.53 116.42 117.43 3dhr h ASP 22 Ca 0.03 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 3dhr h ASP 22 Cb 0.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3dhr h ASP 22 CO 0.01 0.81 -0.72 0.00 -1.72 0.00 0.00 179.24 177.62 3dhr h GLY 24 N 2.05 0.82 0.89 0.00 0.00 -1.07 -1.24 103.07 104.51 3dhr h GLY 24 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 3dhr h GLY 24 CO 0.10 0.65 0.07 0.00 0.00 0.00 0.00 176.54 177.36 3dhr h ALA 25 N 0.80 0.38 -0.78 3.60 0.00 -1.25 -2.23 119.26 119.79 3dhr h ALA 25 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3dhr h ALA 25 Cb 0.69 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3dhr h ALA 25 CO 0.05 0.04 0.31 1.49 0.00 0.00 0.00 179.25 181.13 3dhr h GLU 26 N 0.30 1.17 -0.03 0.00 4.81 -1.41 -1.14 114.58 118.27 3dhr h GLU 26 Ca 0.09 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3dhr h GLU 26 Cb 0.28 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3dhr h GLU 26 CO 0.00 0.95 0.01 0.00 -0.73 0.00 0.00 179.01 179.24 3dhr h ALA 27 N 1.19 0.04 -0.42 2.92 0.00 -1.12 -0.91 119.26 120.96 3dhr h ALA 27 Ca 0.26 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3dhr h ALA 27 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dhr h ALA 27 CO -0.02 -0.41 -0.28 1.25 0.00 0.00 0.00 179.25 179.79 3dhr h LEU 28 N -0.06 0.97 -0.55 0.00 5.85 -1.36 -1.87 115.31 118.28 3dhr h LEU 28 Ca 0.01 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3dhr h LEU 28 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3dhr h LEU 28 CO -0.00 1.19 0.33 0.00 -0.34 0.00 0.00 178.44 179.62 3dhr h ALA 29 N 0.81 0.71 -0.58 1.25 0.00 -1.16 -2.01 119.26 118.28 3dhr h ALA 29 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dhr h ALA 29 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dhr h ALA 29 CO 0.08 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.46 3dhr h ARG 30 N 0.66 0.94 -0.20 0.00 3.08 -1.08 -1.74 114.38 116.04 3dhr h ARG 30 Ca 0.22 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3dhr h ARG 30 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3dhr h ARG 30 CO -0.10 0.88 0.06 1.25 -1.07 0.00 0.00 179.97 180.99 3dhr h LEU 31 N 0.88 0.06 -1.08 3.04 5.85 -0.95 0.25 115.31 123.37 3dhr h LEU 31 Ca 0.18 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3dhr h LEU 31 Cb 0.40 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3dhr h LEU 31 CO 0.01 0.06 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.85 3dhr h LEU 32 N 0.16 0.34 0.03 2.25 3.38 -1.21 -0.59 115.31 119.67 3dhr h LEU 32 Ca 0.09 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3dhr h LEU 32 Cb 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dhr h LEU 32 CO -0.10 0.60 -0.51 0.40 0.09 0.00 0.00 178.44 178.92 3dhr h ILE 33 N 0.31 1.51 -0.25 1.22 2.04 -1.11 -3.28 117.51 117.94 3dhr h ILE 33 Ca 0.05 -2.35 -0.17 0.00 1.00 0.00 0.00 64.86 63.39 3dhr h ILE 33 Cb 0.62 3.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3dhr h ILE 33 CO 0.04 0.58 -0.51 0.58 0.00 0.00 0.00 178.15 178.84 3dhr h VAL 34 N -0.84 1.30 -3.05 1.67 2.07 -0.54 -3.37 116.25 113.49 3dhr h VAL 34 Ca -0.12 -1.72 -0.62 0.00 0.82 0.00 0.00 66.70 65.06 3dhr h VAL 34 Cb 1.23 1.66 -0.41 0.00 -1.52 0.00 0.00 31.29 32.25 3dhr h VAL 34 CO -0.01 0.55 -0.66 -0.31 0.02 0.00 0.00 177.57 177.16 3dhr s TYR 35 N -4.11 2.97 0.49 1.57 2.02 -0.23 -5.00 117.35 115.06 3dhr s TYR 35 Ca -0.09 -3.06 0.40 0.00 -0.37 0.00 0.00 57.07 53.96 3dhr s TYR 35 Cb 0.11 -2.41 2.07 0.00 -0.40 0.00 0.00 41.96 41.33 3dhr s TYR 35 CO 0.86 -0.66 2.25 -1.35 -1.57 0.00 0.00 175.55 175.08 3dhr h PRO 36 N 5.86 0.00 0.00 -1.71 0.11 -1.73 -2.22 132.00 132.31 3dhr h PRO 36 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3dhr h PRO 36 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dhr h PRO 36 CO 0.64 0.01 -0.07 0.11 -0.21 0.00 0.00 178.00 178.48 3dhr h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.26 115.95 112.51 3dhr h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3dhr h TRP 37 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.40 3dhr h TRP 37 CO 0.00 0.07 0.00 1.79 0.09 0.00 0.00 178.44 180.39 3dhr h THR 38 N 0.00 0.00 -0.02 0.12 1.35 -1.72 -2.89 112.91 109.75 3dhr h THR 38 Ca -0.00 -0.37 0.01 0.00 -0.55 0.00 0.00 66.41 65.49 3dhr h THR 38 Cb 0.35 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3dhr h THR 38 CO 0.01 0.00 0.02 1.56 -0.25 0.00 0.00 175.52 176.86 3dhr h GLN 39 N 0.00 0.00 -0.82 4.72 4.20 -1.61 -2.63 115.11 118.97 3dhr h GLN 39 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3dhr h GLN 39 Cb 0.38 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 3dhr h GLN 39 CO 0.00 0.00 0.54 -0.09 -0.67 0.00 0.00 178.83 178.61 3dhr h ARG 40 N 0.00 0.81 0.00 1.46 2.43 -1.71 -1.71 114.38 115.66 3dhr h ARG 40 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dhr h ARG 40 Cb 0.05 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3dhr h ARG 40 CO -0.00 0.54 0.00 0.74 -1.51 0.00 0.00 179.97 179.74 3dhr h PHE 41 N 0.84 0.00 -0.74 2.20 0.04 -1.69 -3.25 116.94 114.34 3dhr h PHE 41 Ca 0.37 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.61 3dhr h PHE 41 Cb 0.34 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 38.11 3dhr h PHE 41 CO -0.00 0.00 -0.52 1.19 -0.60 0.00 0.00 178.31 178.38 3dhr n PHE 42 N -2.99 2.63 -0.25 -0.55 3.72 -0.65 -4.77 117.46 114.60 3dhr n PHE 42 Ca 0.02 -2.29 -0.04 0.00 -0.05 0.00 0.00 57.45 55.09 3dhr n PHE 42 Cb 0.36 -0.51 0.13 0.00 -0.94 0.00 0.00 39.48 38.52 3dhr n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3dhr h SER 43 N 2.05 0.99 0.00 4.37 0.02 -1.58 -2.62 113.55 116.78 3dhr h SER 43 Ca 0.38 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3dhr h SER 43 Cb 1.41 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3dhr h SER 43 CO 0.84 0.86 0.00 -1.54 -1.14 0.00 0.00 176.83 175.85 3dhr n SER 44 N -4.30 0.00 0.14 3.07 3.41 -1.26 -2.71 113.62 111.96 3dhr n SER 44 Ca 0.07 -0.65 0.04 0.00 -0.26 0.00 0.00 58.87 58.08 3dhr n SER 44 Cb 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3dhr n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3dhr h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.85 -3.50 116.94 117.92 3dhr h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3dhr h PHE 45 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3dhr h PHE 45 CO 0.00 0.40 0.00 0.41 -1.61 0.00 0.00 178.31 177.51 3dhr n GLY 46 N 1.22 0.50 3.56 -1.45 0.00 -1.10 -4.74 105.19 103.19 3dhr n GLY 46 Ca 0.01 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3dhr n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dhr s ASN 47 N -4.00 5.64 -0.21 1.61 2.47 -1.26 -4.80 114.94 114.39 3dhr s ASN 47 Ca 0.00 0.32 0.11 0.00 0.42 0.00 0.00 52.86 53.71 3dhr s ASN 47 Cb 0.00 -2.54 0.43 0.00 -1.45 0.00 0.00 41.25 37.69 3dhr s ASN 47 CO 0.00 -2.10 1.21 0.18 -3.72 0.00 0.00 177.10 172.68 3dhr n LEU 48 N 11.37 2.87 -0.06 3.21 4.77 -1.26 -4.26 117.00 133.64 3dhr n LEU 48 Ca 0.17 -3.91 -0.15 0.00 -0.03 0.00 0.00 56.01 52.08 3dhr n LEU 48 Cb 0.50 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3dhr n LEU 48 CO 0.71 1.44 0.40 -1.28 -1.33 0.00 0.00 177.39 177.33 3dhr h SER 49 N 1.14 0.92 -2.10 -1.43 0.87 -1.91 -3.45 113.55 107.59 3dhr h SER 49 Ca 0.03 -0.56 -0.58 0.00 -1.23 0.00 0.00 61.79 59.45 3dhr h SER 49 Cb 1.10 -0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 62.66 3dhr h SER 49 CO 0.09 1.32 -0.58 -0.94 -0.53 0.00 0.00 176.83 176.18 3dhr s SER 50 N -6.93 3.34 0.24 6.23 1.04 -1.26 -5.02 113.70 111.34 3dhr s SER 50 Ca -0.11 -1.44 -0.05 0.00 0.48 0.00 0.00 55.95 54.83 3dhr s SER 50 Cb 0.09 -0.07 0.26 0.00 0.10 0.00 0.00 66.02 66.40 3dhr s SER 50 CO 0.88 -0.61 1.78 0.00 0.98 0.00 0.00 173.24 176.28 3dhr h ALA 51 N 1.82 1.09 -0.45 5.32 0.00 -2.00 -1.97 119.26 123.08 3dhr h ALA 51 Ca -0.42 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3dhr h ALA 51 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3dhr h ALA 51 CO 0.74 0.61 0.09 1.15 0.00 0.00 0.00 179.25 181.84 3dhr h THR 52 N 0.96 1.24 -0.75 0.00 2.02 -1.99 -2.13 112.91 112.26 3dhr h THR 52 Ca 0.21 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3dhr h THR 52 Cb 0.31 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3dhr h THR 52 CO -0.00 0.30 0.33 0.00 0.37 0.00 0.00 175.52 176.52 3dhr h ALA 53 N 0.96 1.18 -0.07 6.16 0.00 -1.85 -1.60 119.26 124.03 3dhr h ALA 53 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dhr h ALA 53 Cb 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dhr h ALA 53 CO 0.01 0.61 -0.05 0.82 0.00 0.00 0.00 179.25 180.64 3dhr h ILE 54 N 1.07 1.34 -0.66 0.00 2.04 -1.28 -0.66 117.51 119.36 3dhr h ILE 54 Ca 0.26 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3dhr h ILE 54 Cb 0.15 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3dhr h ILE 54 CO -0.03 0.31 0.44 0.28 0.00 0.00 0.00 178.15 179.15 3dhr h SER 55 N -0.24 0.75 0.82 1.72 0.02 -1.30 -2.74 113.55 112.57 3dhr h SER 55 Ca 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dhr h SER 55 Cb 0.51 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3dhr h SER 55 CO 0.01 0.53 -0.64 0.61 -1.14 0.00 0.00 176.83 176.21 3dhr n GLY 56 N -1.44 -1.40 3.67 -3.77 0.00 -0.61 -4.87 105.19 96.77 3dhr n GLY 56 Ca 0.07 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3dhr n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dhr n ASN 57 N -2.07 4.06 -0.16 1.61 2.85 -0.26 -4.90 115.26 116.40 3dhr n ASN 57 Ca 0.03 0.92 -0.01 0.00 -0.11 0.00 0.00 54.58 55.41 3dhr n ASN 57 Cb 0.43 -1.51 0.23 0.00 1.24 0.00 0.00 39.78 40.17 3dhr n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dhr h PRO 58 N 10.20 0.89 -0.26 1.20 0.13 -1.89 -2.33 132.00 139.93 3dhr h PRO 58 Ca -0.49 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.40 3dhr h PRO 58 Cb 1.24 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3dhr h PRO 58 CO 0.94 0.69 -0.33 -0.91 -0.23 0.00 0.00 178.00 178.15 3dhr h ASN 59 N 0.88 0.59 -0.56 1.44 2.35 -1.90 -2.00 115.58 116.39 3dhr h ASN 59 Ca 0.22 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3dhr h ASN 59 Cb 0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3dhr h ASN 59 CO -0.03 0.88 0.21 0.58 -1.65 0.00 0.00 177.43 177.42 3dhr h VAL 60 N 0.48 1.22 -0.62 2.81 2.07 -1.78 -1.69 116.25 118.74 3dhr h VAL 60 Ca 0.05 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3dhr h VAL 60 Cb 0.81 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3dhr h VAL 60 CO 0.07 0.27 0.13 0.11 0.02 0.00 0.00 177.57 178.17 3dhr h LYS 61 N 0.76 1.02 -0.19 1.57 1.57 -1.28 -1.80 116.57 118.22 3dhr h LYS 61 Ca 0.18 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3dhr h LYS 61 Cb 0.22 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dhr h LYS 61 CO -0.01 0.94 -0.27 0.00 -0.57 0.00 0.00 179.45 179.54 3dhr h ALA 62 N 1.04 0.29 -0.33 3.86 0.00 -1.28 -2.61 119.26 120.23 3dhr h ALA 62 Ca 0.19 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3dhr h ALA 62 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dhr h ALA 62 CO 0.01 0.28 -0.24 1.25 0.00 0.00 0.00 179.25 180.55 3dhr h HIS 63 N 0.18 0.73 -0.81 0.00 -0.00 -1.34 -2.78 115.15 111.13 3dhr h HIS 63 Ca 0.02 -0.16 0.01 0.00 -0.00 0.00 0.00 60.37 60.24 3dhr h HIS 63 Cb 0.84 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 28.03 3dhr h HIS 63 CO 0.09 0.83 0.53 0.78 -0.00 0.00 0.00 177.93 180.16 3dhr h GLY 64 N 1.00 1.14 1.01 5.26 0.00 -1.30 -0.40 103.07 109.76 3dhr h GLY 64 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3dhr h GLY 64 CO 0.06 0.41 0.40 1.70 0.00 0.00 0.00 176.54 179.10 3dhr h LYS 65 N 1.09 0.80 -0.60 4.80 3.64 -1.35 -2.34 116.57 122.61 3dhr h LYS 65 Ca 0.30 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3dhr h LYS 65 Cb -0.12 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 3dhr h LYS 65 CO -0.07 0.53 0.35 0.87 -2.27 0.00 0.00 179.45 178.86 3dhr h LYS 66 N 0.82 0.83 -0.58 1.90 1.57 -1.14 -1.42 116.57 118.55 3dhr h LYS 66 Ca 0.22 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3dhr h LYS 66 Cb -0.09 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 3dhr h LYS 66 CO -0.05 0.61 0.37 0.28 -0.57 0.00 0.00 179.45 180.10 3dhr h VAL 67 N 0.82 1.11 -0.01 0.50 2.07 -0.87 -2.84 116.25 117.04 3dhr h VAL 67 Ca 0.21 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.31 3dhr h VAL 67 Cb 0.01 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3dhr h VAL 67 CO -0.04 0.14 -0.77 -0.07 0.02 0.00 0.00 177.57 176.85 3dhr h LEU 68 N 0.75 0.09 -1.66 2.57 4.07 -1.27 -2.96 115.31 116.89 3dhr h LEU 68 Ca 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3dhr h LEU 68 Cb -0.04 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3dhr h LEU 68 CO -0.07 0.82 0.08 0.71 -1.08 0.00 0.00 178.44 178.90 3dhr h THR 69 N 0.05 1.09 0.00 0.22 1.35 -1.11 -1.34 112.91 113.17 3dhr h THR 69 Ca -0.02 -0.29 -0.10 0.00 -0.55 0.00 0.00 66.41 65.46 3dhr h THR 69 Cb 1.35 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3dhr h THR 69 CO 0.11 0.11 -0.46 0.77 -0.25 0.00 0.00 175.52 175.80 3dhr h SER 70 N 0.30 0.00 0.38 5.36 4.64 -1.38 -2.49 113.55 120.36 3dhr h SER 70 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3dhr h SER 70 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3dhr h SER 70 CO -0.01 0.46 -0.45 -0.26 -0.87 0.00 0.00 176.83 175.70 3dhr h PHE 71 N 0.00 0.10 -0.10 4.77 0.04 -1.17 -2.65 116.94 117.92 3dhr h PHE 71 Ca -0.00 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 3dhr h PHE 71 Cb 1.13 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 3dhr h PHE 71 CO 0.00 0.53 -0.09 0.78 -0.60 0.00 0.00 178.31 178.93 3dhr h GLY 72 N 1.34 0.16 1.95 -1.45 0.00 -0.84 -2.05 103.07 102.18 3dhr h GLY 72 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 3dhr h GLY 72 CO 0.06 0.08 -0.44 -0.55 0.00 0.00 0.00 176.54 175.69 3dhr h ASP 73 N 0.15 0.06 -0.24 0.19 3.32 -1.17 -2.09 116.42 116.64 3dhr h ASP 73 Ca 0.03 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 3dhr h ASP 73 Cb 0.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3dhr h ASP 73 CO 0.01 0.49 -0.57 0.00 -1.72 0.00 0.00 179.24 177.45 3dhr h ALA 74 N 1.51 0.47 -0.79 3.45 0.00 -1.31 -2.11 119.26 120.49 3dhr h ALA 74 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3dhr h ALA 74 Cb 0.80 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3dhr h ALA 74 CO 0.06 0.68 0.31 0.28 0.00 0.00 0.00 179.25 180.59 3dhr h VAL 75 N 0.63 1.26 0.00 0.00 2.07 -1.18 -2.19 116.25 116.85 3dhr h VAL 75 Ca 0.01 -0.83 -0.17 0.00 0.82 0.00 0.00 66.70 66.53 3dhr h VAL 75 Cb 1.18 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3dhr h VAL 75 CO 0.12 0.34 -0.81 0.11 0.02 0.00 0.00 177.57 177.36 3dhr h LYS 76 N 1.16 0.00 -1.83 1.57 1.57 -1.42 -3.35 116.57 114.26 3dhr h LYS 76 Ca 0.26 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.44 3dhr h LYS 76 Cb 0.22 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.12 3dhr h LYS 76 CO -0.02 0.81 -0.53 0.09 -0.57 0.00 0.00 179.45 179.23 3dhr n ASN 77 N -3.53 4.91 0.10 0.86 3.02 -0.79 -4.91 115.26 114.92 3dhr n ASN 77 Ca -0.00 -3.72 0.12 0.00 -0.03 0.00 0.00 54.58 50.95 3dhr n ASN 77 Cb 0.79 -0.56 0.61 0.00 -0.61 0.00 0.00 39.78 40.01 3dhr n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dhr h LEU 78 N 2.80 0.10 -0.35 3.41 3.38 -1.55 -1.88 115.31 121.23 3dhr h LEU 78 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dhr h LEU 78 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3dhr h LEU 78 CO 0.89 0.07 -0.53 0.47 0.09 0.00 0.00 178.44 179.43 3dhr n ASP 79 N -4.48 1.08 -2.92 -0.43 8.00 -1.26 -4.33 116.55 112.21 3dhr n ASP 79 Ca 0.03 -0.86 -0.21 0.00 0.71 0.00 0.00 54.79 54.46 3dhr n ASP 79 Cb 0.28 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 3dhr n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dhr n ASN 80 N -0.94 2.71 0.06 -2.24 5.15 -0.71 -4.88 115.26 114.40 3dhr n ASN 80 Ca 0.08 -3.29 -0.13 0.00 -0.60 0.00 0.00 54.58 50.64 3dhr n ASN 80 Cb 0.37 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 3dhr n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3dhr h ILE 81 N 2.21 1.38 -0.53 -1.44 2.04 -1.73 -2.64 117.51 116.81 3dhr h ILE 81 Ca 0.11 -2.33 0.07 0.00 1.00 0.00 0.00 64.86 63.71 3dhr h ILE 81 Cb 0.84 2.31 -0.06 0.00 -0.74 0.00 0.00 36.82 39.17 3dhr h ILE 81 CO 0.66 0.70 0.19 0.11 0.00 0.00 0.00 178.15 179.80 3dhr h LYS 82 N 0.27 0.35 -0.23 2.37 1.57 -1.91 -2.21 116.57 116.79 3dhr h LYS 82 Ca -0.07 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3dhr h LYS 82 Cb 1.50 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 3dhr h LYS 82 CO 0.15 0.23 -0.58 0.78 -0.57 0.00 0.00 179.45 179.47 3dhr h GLY 83 N 0.37 0.80 1.69 3.86 0.00 -1.95 -3.03 103.07 104.80 3dhr h GLY 83 Ca 0.26 -0.96 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 3dhr h GLY 83 CO -0.26 0.86 -0.12 -0.84 0.00 0.00 0.00 176.54 176.17 3dhr h THR 84 N 0.55 1.21 -0.47 4.70 2.02 -1.29 -3.20 112.91 116.44 3dhr h THR 84 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3dhr h THR 84 Cb 1.16 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3dhr h THR 84 CO 0.12 0.29 0.00 0.49 0.37 0.00 0.00 175.52 176.79 3dhr n PHE 85 N -4.23 1.04 -0.15 3.16 3.72 -0.85 -4.59 117.46 115.57 3dhr n PHE 85 Ca 0.00 -0.64 -0.09 0.00 -0.05 0.00 0.00 57.45 56.67 3dhr n PHE 85 Cb 0.30 -0.19 -0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3dhr n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dhr h ALA 86 N 2.95 0.57 -0.31 4.37 0.00 -1.52 -1.94 119.26 123.39 3dhr h ALA 86 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3dhr h ALA 86 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3dhr h ALA 86 CO 0.15 0.22 -0.05 0.37 0.00 0.00 0.00 179.25 179.95 3dhr h GLN 87 N 0.57 0.58 0.00 0.00 4.15 -1.84 -3.08 115.11 115.50 3dhr h GLN 87 Ca 0.14 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 3dhr h GLN 87 Cb 0.27 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3dhr h GLN 87 CO -0.00 0.76 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.29 3dhr h LEU 88 N 0.36 0.00 -0.53 -2.39 3.38 -1.86 -2.53 115.31 111.74 3dhr h LEU 88 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dhr h LEU 88 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3dhr h LEU 88 CO 0.03 0.30 0.16 -1.28 0.09 0.00 0.00 178.44 177.73 3dhr h SER 89 N 0.00 0.78 -0.40 -0.43 0.87 -1.27 -1.64 113.55 111.47 3dhr h SER 89 Ca -0.00 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 3dhr h SER 89 Cb 0.59 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3dhr h SER 89 CO 0.04 0.79 0.16 -0.33 -0.53 0.00 0.00 176.83 176.95 3dhr h GLU 90 N 0.73 0.60 -0.29 2.24 5.08 -1.42 -2.37 114.58 119.16 3dhr h GLU 90 Ca 0.17 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dhr h GLU 90 Cb 0.29 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3dhr h GLU 90 CO -0.00 0.57 0.01 1.25 -1.00 0.00 0.00 179.01 179.83 3dhr h LEU 91 N 0.50 -0.10 -0.82 1.33 5.85 -1.32 0.45 115.31 121.20 3dhr h LEU 91 Ca 0.13 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 3dhr h LEU 91 Cb 0.19 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3dhr h LEU 91 CO -0.01 -0.02 -0.55 0.45 -0.34 0.00 0.00 178.44 177.97 3dhr h HIS 92 N 0.09 0.00 0.00 1.25 3.86 -1.25 -1.37 115.15 117.74 3dhr h HIS 92 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3dhr h HIS 92 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3dhr h HIS 92 CO -0.21 0.55 -0.14 0.00 0.86 0.00 0.00 177.93 178.99 3dhr h ASP 94 N -0.61 0.53 0.12 0.00 3.32 -1.05 -3.06 116.42 115.69 3dhr h ASP 94 Ca 0.00 -0.50 -0.35 0.00 0.02 0.00 0.00 57.03 56.21 3dhr h ASP 94 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3dhr h ASP 94 CO 0.00 0.92 -1.86 0.11 -1.72 0.00 0.00 179.24 176.69 3dhr h LYS 95 N 0.15 0.26 0.00 3.56 1.57 -1.54 -3.42 116.57 117.15 3dhr h LYS 95 Ca 0.03 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3dhr h LYS 95 Cb 0.79 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 3dhr h LYS 95 CO 0.05 1.22 -2.12 1.28 -0.57 0.00 0.00 179.45 179.31 3dhr n LEU 96 N -3.62 0.00 -3.63 2.94 4.77 -0.55 -5.01 117.00 111.90 3dhr n LEU 96 Ca -0.30 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 3dhr n LEU 96 Cb 1.01 0.16 0.07 0.00 -2.33 0.00 0.00 43.42 42.33 3dhr n LEU 96 CO 0.42 0.16 0.20 1.41 -1.33 0.00 0.00 177.39 178.25 3dhr n HIS 97 N -2.41 -2.68 -3.21 -1.77 8.25 -0.83 -4.98 115.22 107.59 3dhr n HIS 97 Ca -0.13 0.99 -0.39 0.00 -0.26 0.00 0.00 57.72 57.92 3dhr n HIS 97 Cb 0.75 -4.86 -0.07 0.00 1.12 0.00 0.00 29.99 26.94 3dhr n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dhr s VAL 98 N -3.33 5.08 0.19 1.59 1.01 -0.88 -5.05 120.40 119.00 3dhr s VAL 98 Ca 0.51 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 3dhr s VAL 98 Cb -0.23 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3dhr s VAL 98 CO 0.75 0.15 1.41 -0.62 0.00 0.00 0.00 175.10 176.79 3dhr s ASP 99 N 1.22 6.75 0.61 3.32 -1.08 -1.26 -4.76 116.67 121.47 3dhr s ASP 99 Ca 0.25 2.50 0.30 0.00 -0.52 0.00 0.00 52.55 55.08 3dhr s ASP 99 Cb -0.16 -2.60 1.66 0.00 -1.46 0.00 0.00 42.92 40.36 3dhr s ASP 99 CO 0.10 -0.66 2.04 -0.65 0.52 0.00 0.00 175.17 176.51 3dhr h PRO 100 N 5.89 0.00 -0.20 4.34 0.11 -1.97 -1.75 132.00 138.41 3dhr h PRO 100 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 3dhr h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dhr h PRO 100 CO 0.82 0.00 0.15 1.49 -0.21 0.00 0.00 178.00 180.25 3dhr h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -1.03 114.58 117.18 3dhr h GLU 101 Ca 0.10 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3dhr h GLU 101 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3dhr h GLU 101 CO -0.00 0.00 -0.30 -0.91 -1.18 0.00 0.00 179.01 176.62 3dhr h ASN 102 N 0.00 0.00 -0.74 1.04 2.35 -1.70 -2.65 115.58 113.88 3dhr h ASN 102 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3dhr h ASN 102 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3dhr h ASN 102 CO -0.00 0.30 0.27 -0.26 -1.65 0.00 0.00 177.43 176.09 3dhr h PHE 103 N 0.00 1.16 -0.51 1.19 0.04 -1.35 -2.17 116.94 115.31 3dhr h PHE 103 Ca -0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3dhr h PHE 103 Cb 0.69 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3dhr h PHE 103 CO 0.00 0.90 0.19 0.00 -0.60 0.00 0.00 178.31 178.80 3dhr h ARG 104 N 1.10 0.76 -0.73 1.51 3.08 -1.49 -2.02 114.38 116.58 3dhr h ARG 104 Ca 0.25 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3dhr h ARG 104 Cb 0.26 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3dhr h ARG 104 CO -0.01 0.69 0.26 -0.07 -1.07 0.00 0.00 179.97 179.76 3dhr h LEU 105 N 0.68 1.03 -0.47 3.04 3.38 -1.33 -1.30 115.31 120.34 3dhr h LEU 105 Ca 0.17 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3dhr h LEU 105 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3dhr h LEU 105 CO -0.01 0.93 -0.02 0.25 0.09 0.00 0.00 178.44 179.68 3dhr h LEU 106 N 1.07 0.83 -0.31 1.67 5.85 -1.29 -1.56 115.31 121.57 3dhr h LEU 106 Ca 0.24 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3dhr h LEU 106 Cb 0.25 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3dhr h LEU 106 CO -0.02 0.95 -0.06 1.23 -0.34 0.00 0.00 178.44 180.21 3dhr h GLY 107 N 0.70 0.25 0.90 3.75 0.00 -1.06 0.48 103.07 108.09 3dhr h GLY 107 Ca 0.13 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3dhr h GLY 107 CO 0.03 -0.11 0.36 -0.55 0.00 0.00 0.00 176.54 176.27 3dhr h ASP 108 N 0.02 0.59 -0.55 0.19 3.32 -1.14 -2.24 116.42 116.61 3dhr h ASP 108 Ca 0.15 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3dhr h ASP 108 Cb 0.22 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3dhr h ASP 108 CO -0.30 0.42 0.30 0.40 -1.72 0.00 0.00 179.24 178.33 3dhr h ILE 109 N 0.71 1.19 -0.67 0.35 2.04 -0.80 -2.34 117.51 117.99 3dhr h ILE 109 Ca 0.23 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3dhr h ILE 109 Cb -0.00 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3dhr h ILE 109 CO -0.09 0.20 0.41 0.25 0.00 0.00 0.00 178.15 178.92 3dhr h LEU 110 N 0.74 0.79 -0.87 1.44 5.85 -0.72 -1.69 115.31 120.86 3dhr h LEU 110 Ca 0.19 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3dhr h LEU 110 Cb 0.05 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 3dhr h LEU 110 CO -0.03 0.61 0.53 0.58 -0.34 0.00 0.00 178.44 179.79 3dhr h VAL 111 N 0.91 1.00 -0.58 1.05 2.07 -1.18 -0.82 116.25 118.70 3dhr h VAL 111 Ca 0.24 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3dhr h VAL 111 Cb -0.05 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 3dhr h VAL 111 CO -0.05 0.17 -0.05 0.40 0.02 0.00 0.00 177.57 178.06 3dhr h ILE 112 N 0.94 1.27 -0.55 4.57 2.04 -0.96 -1.47 117.51 123.34 3dhr h ILE 112 Ca 0.40 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3dhr h ILE 112 Cb 0.25 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3dhr h ILE 112 CO -0.20 0.43 0.19 0.40 0.00 0.00 0.00 178.15 178.97 3dhr h ILE 113 N 0.94 1.23 -0.75 -0.67 2.04 -0.75 -0.81 117.51 118.74 3dhr h ILE 113 Ca 0.16 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3dhr h ILE 113 Cb 0.61 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3dhr h ILE 113 CO 0.04 0.28 0.42 -0.07 0.00 0.00 0.00 178.15 178.82 3dhr h LEU 114 N 0.76 0.93 -0.50 1.44 3.38 -1.07 -1.56 115.31 118.70 3dhr h LEU 114 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dhr h LEU 114 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3dhr h LEU 114 CO -0.01 0.75 0.32 0.00 0.09 0.00 0.00 178.44 179.59 3dhr h ALA 115 N 1.22 0.63 -0.64 1.53 0.00 -0.95 -1.12 119.26 119.92 3dhr h ALA 115 Ca 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3dhr h ALA 115 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3dhr h ALA 115 CO -0.04 0.09 0.15 0.00 0.00 0.00 0.00 179.25 179.45 3dhr h ALA 116 N 1.17 1.05 0.00 0.00 0.00 -0.88 0.78 119.26 121.38 3dhr h ALA 116 Ca 0.18 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3dhr h ALA 116 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dhr h ALA 116 CO -0.04 0.62 -0.56 0.45 0.00 0.00 0.00 179.25 179.73 3dhr h HIS 117 N 0.97 0.00 0.00 0.00 -0.00 -1.12 -3.37 115.15 111.63 3dhr h HIS 117 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 3dhr h HIS 117 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3dhr h HIS 117 CO 0.02 0.56 -1.44 1.19 -0.00 0.00 0.00 177.93 178.27 3dhr n PHE 118 N -3.25 0.00 0.00 2.45 3.72 -0.44 -5.07 117.46 114.87 3dhr n PHE 118 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3dhr n PHE 118 Cb 0.75 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 3dhr n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dhr n GLY 119 N 1.99 3.54 0.26 1.37 0.00 0.26 -2.21 105.19 110.39 3dhr n GLY 119 Ca -0.02 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3dhr n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dhr h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.98 -1.51 116.57 118.34 3dhr h LYS 120 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3dhr h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3dhr h LYS 120 CO 0.00 0.12 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.55 3dhr h ASP 121 N 0.00 0.00 -0.44 4.20 3.32 -1.85 -3.33 116.42 118.32 3dhr h ASP 121 Ca -0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 3dhr h ASP 121 Cb 0.29 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3dhr h ASP 121 CO 0.02 0.32 2.74 0.33 -1.72 0.00 0.00 179.24 180.92 3dhr n PHE 122 N -3.52 3.72 -1.24 4.55 7.35 -0.57 -4.91 117.46 122.84 3dhr n PHE 122 Ca -0.00 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 3dhr n PHE 122 Cb 0.47 -2.47 0.13 0.00 0.35 0.00 0.00 39.48 37.95 3dhr n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dhr s THR 123 N 2.92 2.79 0.29 -2.13 -4.23 -1.25 -4.70 115.64 109.32 3dhr s THR 123 Ca 0.47 0.26 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 3dhr s THR 123 Cb 0.11 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.47 3dhr s THR 123 CO -0.04 -0.33 1.81 -0.65 -0.54 0.00 0.00 174.62 174.86 3dhr h PRO 124 N -1.45 0.85 -0.73 3.99 0.11 -1.93 0.57 132.00 133.41 3dhr h PRO 124 Ca -0.48 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3dhr h PRO 124 Cb 1.27 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3dhr h PRO 124 CO 0.54 0.56 0.21 0.93 -0.21 0.00 0.00 178.00 180.04 3dhr h GLU 125 N 0.88 1.15 -0.40 1.05 3.07 -1.98 -0.96 114.58 117.39 3dhr h GLU 125 Ca 0.53 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 3dhr h GLU 125 Cb 0.67 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3dhr h GLU 125 CO -0.32 0.99 0.11 0.00 -1.40 0.00 0.00 179.01 178.39 3dhr h GLN 127 N 0.50 0.42 -0.93 0.00 4.15 -0.71 -1.48 115.11 117.06 3dhr h GLN 127 Ca 0.13 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.60 3dhr h GLN 127 Cb 0.29 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 3dhr h GLN 127 CO -0.00 0.28 0.59 0.00 -1.93 0.00 0.00 178.83 177.76 3dhr h ALA 128 N 1.24 1.31 -0.29 3.38 0.00 -0.99 0.17 119.26 124.09 3dhr h ALA 128 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3dhr h ALA 128 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dhr h ALA 128 CO -0.14 0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.44 3dhr h ALA 129 N 1.45 0.39 -0.04 0.00 0.00 -1.00 -2.40 119.26 117.67 3dhr h ALA 129 Ca 0.42 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3dhr h ALA 129 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dhr h ALA 129 CO -0.20 0.11 -0.77 -1.49 0.00 0.00 0.00 179.25 176.90 3dhr h TRP 130 N 0.31 0.42 -0.65 0.00 4.06 -0.68 -1.91 115.95 117.49 3dhr h TRP 130 Ca 0.09 -0.20 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 3dhr h TRP 130 Cb 0.39 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 3dhr h TRP 130 CO 0.03 0.96 0.12 1.96 -3.56 0.00 0.00 178.44 177.95 3dhr h GLN 131 N 0.19 1.08 -0.62 0.49 1.08 -0.73 -1.42 115.11 115.18 3dhr h GLN 131 Ca -0.04 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3dhr h GLN 131 Cb 1.36 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.63 3dhr h GLN 131 CO 0.13 0.99 0.37 -0.22 -0.95 0.00 0.00 178.83 179.14 3dhr h LYS 132 N 1.00 0.84 0.18 1.46 3.64 -1.32 -1.77 116.57 120.60 3dhr h LYS 132 Ca 0.20 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3dhr h LYS 132 Cb 0.43 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3dhr h LYS 132 CO 0.01 0.61 -0.08 1.25 -2.27 0.00 0.00 179.45 178.96 3dhr h LEU 133 N 0.84 -0.20 -1.71 5.20 5.85 -1.12 -1.69 115.31 122.48 3dhr h LEU 133 Ca 0.22 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3dhr h LEU 133 Cb -0.02 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3dhr h LEU 133 CO -0.04 -0.02 -0.16 -0.37 -0.34 0.00 0.00 178.44 177.51 3dhr h VAL 134 N -0.37 0.64 -0.14 1.05 -1.51 -1.23 -0.61 116.25 114.08 3dhr h VAL 134 Ca -0.02 -0.70 -0.08 0.00 -1.23 0.00 0.00 66.70 64.66 3dhr h VAL 134 Cb 0.29 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3dhr h VAL 134 CO 0.04 0.16 -0.22 -0.09 -1.23 0.00 0.00 177.57 176.23 3dhr h ARG 135 N 0.00 0.39 -0.75 5.19 2.43 -1.20 -1.75 114.38 118.69 3dhr h ARG 135 Ca -0.00 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 3dhr h ARG 135 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3dhr h ARG 135 CO 0.02 0.82 0.29 0.28 -1.51 0.00 0.00 179.97 179.87 3dhr h VAL 136 N -0.01 1.25 -0.60 0.20 2.07 -0.80 -0.86 116.25 117.51 3dhr h VAL 136 Ca 0.01 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3dhr h VAL 136 Cb 0.79 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3dhr h VAL 136 CO 0.05 0.33 0.13 0.58 0.02 0.00 0.00 177.57 178.68 3dhr h VAL 137 N 1.09 1.25 -0.37 2.57 2.07 -1.15 -1.51 116.25 120.20 3dhr h VAL 137 Ca 0.25 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3dhr h VAL 137 Cb 0.22 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3dhr h VAL 137 CO -0.02 0.34 0.15 0.00 0.02 0.00 0.00 177.57 178.06 3dhr h ALA 138 N 1.03 0.48 -0.62 1.67 0.00 -1.00 -1.76 119.26 119.07 3dhr h ALA 138 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dhr h ALA 138 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dhr h ALA 138 CO 0.00 0.09 0.39 1.25 0.00 0.00 0.00 179.25 180.98 3dhr h HIS 139 N 0.46 0.72 -0.16 0.00 6.17 -1.08 -1.42 115.15 119.83 3dhr h HIS 139 Ca 0.12 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.18 3dhr h HIS 139 Cb 0.19 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 3dhr h HIS 139 CO -0.00 0.42 -0.08 0.00 0.71 0.00 0.00 177.93 178.98 3dhr h ALA 140 N 1.26 1.56 0.00 5.26 0.00 -1.06 -1.43 119.26 124.85 3dhr h ALA 140 Ca 0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3dhr h ALA 140 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dhr h ALA 140 CO -0.09 0.32 -0.51 -0.07 0.00 0.00 0.00 179.25 178.90 3dhr h LEU 141 N 0.24 0.00 -0.42 0.00 3.38 -0.90 -3.17 115.31 114.44 3dhr h LEU 141 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dhr h LEU 141 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dhr h LEU 141 CO 0.02 0.40 -0.24 0.00 0.09 0.00 0.00 178.44 178.70 3dhr n ALA 142 N -2.22 3.04 -0.31 1.53 0.00 -0.57 -4.48 120.51 117.50 3dhr n ALA 142 Ca 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.10 3dhr n ALA 142 Cb 0.70 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 19.14 3dhr n ALA 142 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dhr h ARG 143 N 1.03 0.88 -0.19 0.00 2.43 -1.25 -1.90 114.38 115.38 3dhr h ARG 143 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dhr h ARG 143 Cb 0.48 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3dhr h ARG 143 CO 0.00 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.67 3dhr n LYS 144 N -4.66 1.78 0.08 0.20 5.02 -1.26 -2.64 118.16 116.68 3dhr n LYS 144 Ca 0.13 -1.18 0.12 0.00 -2.02 0.00 0.00 58.31 55.37 3dhr n LYS 144 Cb 0.23 -1.40 0.46 0.00 -0.02 0.00 0.00 35.03 34.30 3dhr n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dhr n TYR 145 N 0.40 0.61 -0.28 2.13 4.01 -0.71 -4.96 117.16 118.37 3dhr n TYR 145 Ca 0.16 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3dhr n TYR 145 Cb 0.34 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 3dhr n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12