#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 3.12 0.44 1.57 0.52 -1.26 -5.11 118.94 118.21 3dhr s TRP 3 Ca 0.00 -0.30 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 3dhr s TRP 3 Cb 0.00 -2.20 -0.06 0.00 -1.15 0.00 0.00 33.47 30.06 3dhr s TRP 3 CO 0.00 -0.23 0.80 -1.54 0.02 0.00 0.00 176.95 176.00 3dhr s SER 4 N 1.31 6.48 0.33 2.95 1.04 -1.26 -4.94 113.70 119.60 3dhr s SER 4 Ca 0.05 1.15 0.04 0.00 0.48 0.00 0.00 55.95 57.67 3dhr s SER 4 Cb -0.15 -2.33 0.66 0.00 0.10 0.00 0.00 66.02 64.30 3dhr s SER 4 CO 0.03 -0.46 1.91 0.00 0.98 0.00 0.00 173.24 175.70 3dhr h ALA 5 N 1.00 1.65 -0.44 5.32 0.00 -1.99 -1.15 119.26 123.65 3dhr h ALA 5 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dhr h ALA 5 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3dhr h ALA 5 CO 0.63 0.19 0.26 0.93 0.00 0.00 0.00 179.25 181.26 3dhr h GLU 6 N 0.86 0.60 -0.51 0.00 5.08 -1.99 -1.94 114.58 116.69 3dhr h GLU 6 Ca 0.39 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3dhr h GLU 6 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3dhr h GLU 6 CO -0.16 0.45 0.20 0.93 -1.00 0.00 0.00 179.01 179.43 3dhr h GLU 7 N 0.59 0.77 -0.97 2.33 5.08 -1.69 -2.23 114.58 118.45 3dhr h GLU 7 Ca 0.16 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3dhr h GLU 7 Cb 0.01 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3dhr h GLU 7 CO -0.03 0.69 0.64 0.87 -1.00 0.00 0.00 179.01 180.18 3dhr h LYS 8 N 0.69 1.20 0.00 2.33 1.57 -1.15 -1.85 116.57 119.36 3dhr h LYS 8 Ca 0.17 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3dhr h LYS 8 Cb 0.21 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3dhr h LYS 8 CO -0.01 0.79 -0.56 -0.56 -0.57 0.00 0.00 179.45 178.54 3dhr h GLN 9 N 1.23 0.00 0.08 3.15 3.07 -1.06 -0.83 115.11 120.76 3dhr h GLN 9 Ca 0.38 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.85 3dhr h GLN 9 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.57 3dhr h GLN 9 CO -0.12 0.56 -1.16 -0.07 0.09 0.00 0.00 178.83 178.13 3dhr h LEU 10 N 0.00 0.76 0.08 0.06 3.38 -1.11 -2.64 115.31 115.83 3dhr h LEU 10 Ca -0.01 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 3dhr h LEU 10 Cb 1.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3dhr h LEU 10 CO 0.07 1.49 -0.04 0.40 0.09 0.00 0.00 178.44 180.45 3dhr h ILE 11 N 0.26 1.18 -0.43 1.22 2.04 -1.32 -3.03 117.51 117.44 3dhr h ILE 11 Ca -0.15 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 3dhr h ILE 11 Cb 1.82 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 3dhr h ILE 11 CO 0.21 0.27 -0.07 0.74 0.00 0.00 0.00 178.15 179.31 3dhr h THR 12 N -0.65 1.25 -0.08 -0.27 2.02 -1.28 -1.25 112.91 112.65 3dhr h THR 12 Ca -0.01 -1.08 -0.17 0.00 0.77 0.00 0.00 66.41 65.92 3dhr h THR 12 Cb 0.53 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3dhr h THR 12 CO 0.02 0.37 -0.70 0.77 0.37 0.00 0.00 175.52 176.35 3dhr h SER 13 N 0.68 0.43 -0.05 4.18 4.64 -1.59 -2.08 113.55 119.75 3dhr h SER 13 Ca 0.12 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3dhr h SER 13 Cb 0.52 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dhr h SER 13 CO 0.03 1.00 -0.06 0.40 -0.87 0.00 0.00 176.83 177.33 3dhr h ILE 14 N 0.25 1.38 -0.27 0.95 1.08 -1.42 -3.27 117.51 116.22 3dhr h ILE 14 Ca -0.02 -1.24 0.01 0.00 -0.39 0.00 0.00 64.86 63.22 3dhr h ILE 14 Cb 1.26 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 3dhr h ILE 14 CO 0.12 0.34 0.18 -0.25 -0.69 0.00 0.00 178.15 177.84 3dhr h TRP 15 N -0.33 0.31 0.00 1.37 2.91 -1.23 -0.64 115.95 118.35 3dhr h TRP 15 Ca 0.01 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3dhr h TRP 15 Cb 0.57 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 3dhr h TRP 15 CO 0.10 0.19 0.00 0.78 -1.03 0.00 0.00 178.44 178.48 3dhr h GLY 16 N 0.33 0.00 -0.54 2.65 0.00 -1.42 -2.33 103.07 101.77 3dhr h GLY 16 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3dhr h GLY 16 CO -0.02 0.00 -0.19 0.28 0.00 0.00 0.00 176.54 176.60 3dhr n LYS 17 N -2.62 1.85 -2.88 4.80 5.02 -0.26 -4.99 118.16 119.09 3dhr n LYS 17 Ca -0.02 -0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 55.15 3dhr n LYS 17 Cb 0.05 -1.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.36 4.71 -0.43 -0.18 1.01 -0.88 -5.01 120.40 118.27 3dhr s VAL 18 Ca 0.09 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 3dhr s VAL 18 Cb 0.09 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3dhr s VAL 18 CO 0.25 -0.37 1.48 0.21 0.00 0.00 0.00 175.10 176.68 3dhr s ASN 19 N 1.71 6.20 0.49 3.32 3.84 -1.26 -4.89 114.94 124.35 3dhr s ASN 19 Ca 0.35 0.79 0.26 0.00 0.21 0.00 0.00 52.86 54.48 3dhr s ASN 19 Cb -0.13 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.28 3dhr s ASN 19 CO 0.15 -1.55 1.97 -0.37 -2.79 0.00 0.00 177.10 174.51 3dhr h VAL 20 N 6.52 0.55 0.11 -5.21 -1.51 -1.95 -2.00 116.25 112.75 3dhr h VAL 20 Ca -0.28 -0.77 -0.01 0.00 -1.23 0.00 0.00 66.70 64.41 3dhr h VAL 20 Cb 1.11 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3dhr h VAL 20 CO 1.10 0.16 -0.05 0.00 -1.23 0.00 0.00 177.57 177.55 3dhr h ALA 21 N 1.84 -0.14 0.18 5.19 0.00 -1.90 -1.59 119.26 122.84 3dhr h ALA 21 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3dhr h ALA 21 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dhr h ALA 21 CO 0.02 -0.26 -0.09 -0.44 0.00 0.00 0.00 179.25 178.48 3dhr h ASP 22 N -0.78 -0.21 0.18 0.00 5.19 -1.92 -1.21 116.42 117.67 3dhr h ASP 22 Ca -0.01 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.17 3dhr h ASP 22 Cb 0.56 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3dhr h ASP 22 CO 0.02 -0.00 -0.40 0.00 -3.12 0.00 0.00 179.24 175.73 3dhr h GLY 24 N 1.19 0.38 0.82 0.00 0.00 -1.26 0.01 103.07 104.20 3dhr h GLY 24 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3dhr h GLY 24 CO 0.07 0.28 0.22 0.00 0.00 0.00 0.00 176.54 177.10 3dhr h ALA 25 N 0.73 0.52 -0.44 3.60 0.00 -1.15 -2.24 119.26 120.28 3dhr h ALA 25 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dhr h ALA 25 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dhr h ALA 25 CO 0.02 -0.14 0.14 1.49 0.00 0.00 0.00 179.25 180.76 3dhr h GLU 26 N 0.44 0.68 -0.06 0.00 4.81 -1.30 -1.98 114.58 117.16 3dhr h GLU 26 Ca 0.18 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3dhr h GLU 26 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3dhr h GLU 26 CO -0.11 0.66 -0.14 0.00 -0.73 0.00 0.00 179.01 178.69 3dhr h ALA 27 N 0.99 -0.11 -0.38 2.92 0.00 -0.82 -0.66 119.26 121.20 3dhr h ALA 27 Ca 0.14 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3dhr h ALA 27 Cb 0.26 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dhr h ALA 27 CO -0.00 -0.61 -0.19 1.25 0.00 0.00 0.00 179.25 179.69 3dhr h LEU 28 N -0.20 0.83 -0.47 0.00 5.85 -1.41 -1.91 115.31 118.00 3dhr h LEU 28 Ca 0.07 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3dhr h LEU 28 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3dhr h LEU 28 CO -0.18 1.05 0.25 0.00 -0.34 0.00 0.00 178.44 179.23 3dhr h ALA 29 N 0.80 0.60 -0.82 1.25 0.00 -1.24 -1.56 119.26 118.29 3dhr h ALA 29 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dhr h ALA 29 Cb 0.75 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3dhr h ALA 29 CO 0.06 -0.09 0.38 0.00 0.00 0.00 0.00 179.25 179.60 3dhr h ARG 30 N 0.49 1.18 -0.03 0.00 3.08 -1.00 -0.72 114.38 117.38 3dhr h ARG 30 Ca 0.20 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3dhr h ARG 30 Cb 0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3dhr h ARG 30 CO -0.13 0.92 -0.08 1.25 -1.07 0.00 0.00 179.97 180.86 3dhr h LEU 31 N 1.17 -0.25 -1.26 3.04 5.85 -0.91 0.25 115.31 123.20 3dhr h LEU 31 Ca 0.28 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3dhr h LEU 31 Cb 0.14 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3dhr h LEU 31 CO -0.03 -0.12 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.84 3dhr h LEU 32 N -0.13 0.43 0.03 2.25 3.38 -1.00 0.14 115.31 120.42 3dhr h LEU 32 Ca 0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3dhr h LEU 32 Cb 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3dhr h LEU 32 CO -0.11 0.53 -0.41 0.40 0.09 0.00 0.00 178.44 178.93 3dhr h ILE 33 N 0.44 1.57 -0.07 1.22 2.04 -0.93 -3.29 117.51 118.48 3dhr h ILE 33 Ca 0.09 -2.35 -0.18 0.00 1.00 0.00 0.00 64.86 63.41 3dhr h ILE 33 Cb 0.35 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3dhr h ILE 33 CO 0.01 0.58 -0.74 0.58 0.00 0.00 0.00 178.15 178.59 3dhr h VAL 34 N -0.86 1.39 -2.87 1.67 2.07 -0.51 -3.37 116.25 113.76 3dhr h VAL 34 Ca -0.10 -2.16 -0.61 0.00 0.82 0.00 0.00 66.70 64.65 3dhr h VAL 34 Cb 1.19 2.13 -0.41 0.00 -1.52 0.00 0.00 31.29 32.68 3dhr h VAL 34 CO -0.01 0.65 -0.66 -1.22 0.02 0.00 0.00 177.57 176.35 3dhr n TYR 35 N -3.83 2.36 0.33 1.57 4.02 0.04 -5.00 117.16 116.65 3dhr n TYR 35 Ca -0.04 -4.09 0.22 0.00 -0.01 0.00 0.00 57.90 53.98 3dhr n TYR 35 Cb 0.71 -0.43 1.14 0.00 -0.02 0.00 0.00 39.34 40.74 3dhr n TYR 35 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3dhr h PRO 36 N 5.34 0.00 0.00 -0.72 0.11 -1.73 -2.02 132.00 132.99 3dhr h PRO 36 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dhr h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3dhr h PRO 36 CO 0.65 0.00 -0.06 0.11 -0.21 0.00 0.00 178.00 178.49 3dhr h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.03 115.95 112.75 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.30 3dhr h TRP 37 CO 0.00 0.06 0.00 1.79 0.09 0.00 0.00 178.44 180.38 3dhr h THR 38 N 0.00 0.00 -0.06 0.12 1.35 -1.69 -2.75 112.91 109.88 3dhr h THR 38 Ca -0.00 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 3dhr h THR 38 Cb 0.25 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3dhr h THR 38 CO 0.01 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.83 3dhr h GLN 39 N 0.00 0.09 -0.92 4.72 4.20 -1.58 -2.69 115.11 118.93 3dhr h GLN 39 Ca 0.00 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.82 3dhr h GLN 39 Cb 0.29 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 3dhr h GLN 39 CO 0.00 0.11 0.55 -0.09 -0.67 0.00 0.00 178.83 178.73 3dhr h ARG 40 N 0.09 0.83 0.00 1.46 2.43 -1.69 -0.94 114.38 116.56 3dhr h ARG 40 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dhr h ARG 40 Cb 0.08 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3dhr h ARG 40 CO 0.00 0.55 0.00 0.74 -1.51 0.00 0.00 179.97 179.75 3dhr h PHE 41 N 0.85 0.00 -0.14 2.20 0.04 -1.69 -3.25 116.94 114.96 3dhr h PHE 41 Ca 0.46 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.11 3dhr h PHE 41 Cb 0.50 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.51 3dhr h PHE 41 CO -0.04 0.00 -0.65 1.19 -0.60 0.00 0.00 178.31 178.22 3dhr n PHE 42 N -2.72 0.49 0.23 -0.55 3.72 -0.38 -4.77 117.46 113.48 3dhr n PHE 42 Ca 0.01 -1.50 0.10 0.00 -0.05 0.00 0.00 57.45 56.00 3dhr n PHE 42 Cb 0.25 -0.25 0.55 0.00 -0.94 0.00 0.00 39.48 39.09 3dhr n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3dhr h SER 43 N 1.24 0.00 0.28 4.37 4.64 -1.53 -2.13 113.55 120.42 3dhr h SER 43 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dhr h SER 43 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3dhr h SER 43 CO 0.14 0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 3dhr n SER 44 N -3.61 0.00 0.13 4.97 3.41 -1.26 -2.92 113.62 114.33 3dhr n SER 44 Ca -0.01 -0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.55 3dhr n SER 44 Cb 0.35 -0.21 0.26 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.76 -3.50 116.94 118.01 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 0.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 3dhr h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3dhr n GLY 46 N 1.25 0.59 3.61 -1.45 0.00 -1.15 -4.73 105.19 103.31 3dhr n GLY 46 Ca 0.04 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 6.40 -0.10 1.61 2.47 -1.26 -4.85 114.94 115.22 3dhr s ASN 47 Ca 0.00 1.08 0.21 0.00 0.42 0.00 0.00 52.86 54.57 3dhr s ASN 47 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.70 3dhr s ASN 47 CO 0.00 -1.33 1.18 0.18 -3.72 0.00 0.00 177.10 173.41 3dhr n LEU 48 N 8.54 1.72 0.14 3.21 4.77 -1.26 -4.31 117.00 129.81 3dhr n LEU 48 Ca 0.17 -2.76 0.01 0.00 -0.03 0.00 0.00 56.01 53.40 3dhr n LEU 48 Cb 0.47 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.59 3dhr n LEU 48 CO 0.67 0.88 0.49 0.77 -1.33 0.00 0.00 177.39 178.88 3dhr h SER 49 N 1.23 0.00 -5.16 -1.43 4.64 -1.92 -3.46 113.55 107.45 3dhr h SER 49 Ca -0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.95 3dhr h SER 49 Cb 1.57 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.51 3dhr h SER 49 CO 0.11 0.57 -0.64 -0.94 -0.87 0.00 0.00 176.83 175.06 3dhr s SER 50 N -6.57 0.57 0.29 4.97 1.04 -1.26 -5.03 113.70 107.71 3dhr s SER 50 Ca 0.01 -1.27 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 3dhr s SER 50 Cb 0.10 0.26 0.42 0.00 0.10 0.00 0.00 66.02 66.91 3dhr s SER 50 CO 0.74 -0.72 1.89 0.00 0.98 0.00 0.00 173.24 176.12 3dhr h ALA 51 N 2.71 1.30 -0.02 5.32 0.00 -1.99 -0.77 119.26 125.80 3dhr h ALA 51 Ca -0.36 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 3dhr h ALA 51 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dhr h ALA 51 CO 0.59 0.54 -0.51 1.15 0.00 0.00 0.00 179.25 181.01 3dhr h THR 52 N 0.93 1.36 -0.01 0.00 2.02 -1.99 -1.62 112.91 113.60 3dhr h THR 52 Ca 0.23 -1.75 -0.20 0.00 0.77 0.00 0.00 66.41 65.45 3dhr h THR 52 Cb 0.11 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3dhr h THR 52 CO -0.03 0.51 -0.87 0.00 0.37 0.00 0.00 175.52 175.50 3dhr h ALA 53 N 1.44 0.48 -0.11 6.16 0.00 -1.77 -2.96 119.26 122.49 3dhr h ALA 53 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 3dhr h ALA 53 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3dhr h ALA 53 CO 0.07 0.85 -0.32 0.82 0.00 0.00 0.00 179.25 180.66 3dhr h ILE 54 N 0.18 1.38 -0.40 0.00 2.04 -1.02 -2.29 117.51 117.41 3dhr h ILE 54 Ca -0.05 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 3dhr h ILE 54 Cb 1.49 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 3dhr h ILE 54 CO 0.14 0.48 0.08 0.28 0.00 0.00 0.00 178.15 179.13 3dhr h SER 55 N -0.01 0.55 0.26 1.72 0.02 -1.39 -2.97 113.55 111.73 3dhr h SER 55 Ca -0.01 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3dhr h SER 55 Cb 0.94 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3dhr h SER 55 CO 0.07 0.56 -0.53 0.61 -1.14 0.00 0.00 176.83 176.40 3dhr n GLY 56 N -0.98 -0.86 3.67 -3.77 0.00 -1.12 -4.88 105.19 97.25 3dhr n GLY 56 Ca 0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3dhr n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dhr s ASN 57 N -2.79 6.54 0.27 1.61 3.84 -0.86 -4.91 114.94 118.63 3dhr s ASN 57 Ca 0.15 2.53 -0.02 0.00 0.21 0.00 0.00 52.86 55.73 3dhr s ASN 57 Cb 0.18 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.70 3dhr s ASN 57 CO 0.67 -0.98 1.82 -0.65 -2.79 0.00 0.00 177.10 175.17 3dhr h PRO 58 N 9.54 0.88 -0.60 0.43 0.11 -1.90 -2.57 132.00 137.89 3dhr h PRO 58 Ca -0.45 -0.18 -0.08 0.00 0.11 0.00 0.00 66.00 65.40 3dhr h PRO 58 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3dhr h PRO 58 CO 0.94 0.78 0.04 -0.91 -0.21 0.00 0.00 178.00 178.64 3dhr h ASN 59 N 0.85 0.97 -0.34 -2.05 2.35 -1.91 -1.15 115.58 114.31 3dhr h ASN 59 Ca 0.19 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3dhr h ASN 59 Cb 0.28 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3dhr h ASN 59 CO -0.00 1.00 0.21 0.58 -1.65 0.00 0.00 177.43 177.57 3dhr h VAL 60 N 0.93 1.10 -0.43 2.81 2.07 -1.82 -1.05 116.25 119.87 3dhr h VAL 60 Ca 0.18 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3dhr h VAL 60 Cb 0.48 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3dhr h VAL 60 CO 0.02 0.10 0.22 0.11 0.02 0.00 0.00 177.57 178.04 3dhr h LYS 61 N 0.45 0.60 -0.45 1.57 1.57 -1.24 -1.09 116.57 117.98 3dhr h LYS 61 Ca 0.12 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 3dhr h LYS 61 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3dhr h LYS 61 CO -0.02 0.49 -0.22 0.00 -0.57 0.00 0.00 179.45 179.13 3dhr h ALA 62 N 1.07 0.75 -0.13 3.86 0.00 -1.10 -2.65 119.26 121.06 3dhr h ALA 62 Ca 0.15 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3dhr h ALA 62 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dhr h ALA 62 CO -0.02 0.66 -0.76 1.25 0.00 0.00 0.00 179.25 180.38 3dhr h HIS 63 N 0.80 0.89 -0.99 0.00 -0.00 -1.15 -3.02 115.15 111.67 3dhr h HIS 63 Ca 0.10 -0.39 0.09 0.00 -0.00 0.00 0.00 60.37 60.17 3dhr h HIS 63 Cb 0.78 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.98 3dhr h HIS 63 CO 0.05 1.20 0.63 0.78 -0.00 0.00 0.00 177.93 180.59 3dhr h GLY 64 N 0.82 1.55 1.00 5.26 0.00 -1.15 -0.41 103.07 110.15 3dhr h GLY 64 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3dhr h GLY 64 CO 0.15 0.26 0.41 1.70 0.00 0.00 0.00 176.54 179.06 3dhr h LYS 65 N 1.09 0.89 -0.84 4.80 3.64 -1.45 -1.58 116.57 123.12 3dhr h LYS 65 Ca 0.45 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 3dhr h LYS 65 Cb 0.29 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3dhr h LYS 65 CO -0.21 0.62 0.41 0.87 -2.27 0.00 0.00 179.45 178.87 3dhr h LYS 66 N 0.90 1.20 -0.40 1.90 1.57 -1.15 -0.02 116.57 120.56 3dhr h LYS 66 Ca 0.24 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3dhr h LYS 66 Cb -0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3dhr h LYS 66 CO -0.05 0.92 0.16 0.28 -0.57 0.00 0.00 179.45 180.19 3dhr h VAL 67 N 1.19 1.20 -0.01 0.50 2.07 -0.80 -2.60 116.25 117.79 3dhr h VAL 67 Ca 0.29 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3dhr h VAL 67 Cb 0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3dhr h VAL 67 CO -0.04 0.22 -0.74 -0.07 0.02 0.00 0.00 177.57 176.97 3dhr h LEU 68 N 0.51 0.09 -1.17 2.57 -0.00 -1.15 -2.74 115.31 113.42 3dhr h LEU 68 Ca 0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3dhr h LEU 68 Cb 0.19 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 3dhr h LEU 68 CO -0.01 0.80 0.53 0.74 -0.00 0.00 0.00 178.44 180.50 3dhr h THR 69 N 0.05 1.22 0.00 0.22 2.02 -0.92 -1.45 112.91 114.04 3dhr h THR 69 Ca -0.01 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 3dhr h THR 69 Cb 1.30 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3dhr h THR 69 CO 0.10 0.21 -0.32 0.77 0.37 0.00 0.00 175.52 176.65 3dhr h SER 70 N 1.12 0.00 0.36 4.18 4.64 -1.28 -2.15 113.55 120.42 3dhr h SER 70 Ca 0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 3dhr h SER 70 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3dhr h SER 70 CO -0.06 0.32 -0.50 -0.26 -0.87 0.00 0.00 176.83 175.46 3dhr h PHE 71 N 0.00 0.19 -0.23 4.77 0.04 -1.13 -2.88 116.94 117.71 3dhr h PHE 71 Ca -0.00 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 3dhr h PHE 71 Cb 0.92 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 3dhr h PHE 71 CO 0.00 0.62 0.07 0.78 -0.60 0.00 0.00 178.31 179.18 3dhr h GLY 72 N 1.40 0.34 2.00 -1.45 0.00 -0.63 -1.74 103.07 102.98 3dhr h GLY 72 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3dhr h GLY 72 CO 0.07 0.15 -0.47 -0.55 0.00 0.00 0.00 176.54 175.74 3dhr h ASP 73 N 0.32 0.00 -0.28 0.19 3.32 -1.26 -1.59 116.42 117.11 3dhr h ASP 73 Ca 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3dhr h ASP 73 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3dhr h ASP 73 CO -0.01 0.47 -0.48 0.00 -1.72 0.00 0.00 179.24 177.50 3dhr h ALA 74 N 1.53 0.43 -0.88 3.45 0.00 -1.29 -2.38 119.26 120.13 3dhr h ALA 74 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dhr h ALA 74 Cb 0.84 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3dhr h ALA 74 CO 0.06 0.60 0.45 0.28 0.00 0.00 0.00 179.25 180.64 3dhr h VAL 75 N 0.58 1.26 -0.30 0.00 2.07 -1.12 -2.42 116.25 116.32 3dhr h VAL 75 Ca 0.02 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 3dhr h VAL 75 Cb 1.09 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3dhr h VAL 75 CO 0.11 0.31 -0.31 0.11 0.02 0.00 0.00 177.57 177.80 3dhr h LYS 76 N 1.24 0.63 -2.22 1.57 1.57 -1.31 -3.36 116.57 114.69 3dhr h LYS 76 Ca 0.30 -0.28 -0.58 0.00 -1.87 0.00 0.00 60.65 58.22 3dhr h LYS 76 Cb 0.08 -0.01 -0.42 0.00 0.08 0.00 0.00 32.23 31.96 3dhr h LYS 76 CO -0.04 0.86 -0.70 0.09 -0.57 0.00 0.00 179.45 179.09 3dhr n ASN 77 N -4.07 3.78 -0.13 0.86 3.02 -0.90 -4.94 115.26 112.88 3dhr n ASN 77 Ca -0.01 -3.52 0.02 0.00 -0.03 0.00 0.00 54.58 51.04 3dhr n ASN 77 Cb 0.47 -0.60 0.31 0.00 -0.61 0.00 0.00 39.78 39.35 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 3.31 0.71 0.00 3.41 3.38 -1.60 -2.15 115.31 122.36 3dhr h LEU 78 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dhr h LEU 78 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dhr h LEU 78 CO 0.78 0.52 -0.37 0.47 0.09 0.00 0.00 178.44 179.93 3dhr n ASP 79 N -4.44 0.43 -2.14 -0.43 8.00 -1.26 -4.07 116.55 112.64 3dhr n ASP 79 Ca 0.06 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.42 3dhr n ASP 79 Cb 0.05 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.67 4.47 -0.17 -2.24 5.15 -0.83 -4.81 115.26 115.16 3dhr n ASN 80 Ca 0.05 -3.52 -0.10 0.00 -0.60 0.00 0.00 54.58 50.41 3dhr n ASN 80 Cb 0.36 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 2.64 1.27 -0.45 -1.44 2.04 -1.66 -2.13 117.51 117.76 3dhr h ILE 81 Ca 0.30 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 65.14 3dhr h ILE 81 Cb 1.49 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3dhr h ILE 81 CO 0.69 0.39 -0.08 0.50 0.00 0.00 0.00 178.15 179.65 3dhr h LYS 82 N 0.74 0.03 0.00 2.37 3.64 -1.90 -2.18 116.57 119.26 3dhr h LYS 82 Ca 0.14 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 3dhr h LYS 82 Cb 0.55 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3dhr h LYS 82 CO 0.03 0.02 -0.82 0.78 -2.27 0.00 0.00 179.45 177.20 3dhr h GLY 83 N 0.03 0.00 1.62 5.01 0.00 -1.93 -3.23 103.07 104.56 3dhr h GLY 83 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 3dhr h GLY 83 CO -0.44 0.00 -0.31 -0.84 0.00 0.00 0.00 176.54 174.95 3dhr h THR 84 N 0.00 1.28 -0.46 4.70 2.02 -1.02 -3.21 112.91 116.21 3dhr h THR 84 Ca -0.01 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3dhr h THR 84 Cb 1.46 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 3dhr h THR 84 CO 0.11 0.42 0.01 0.49 0.37 0.00 0.00 175.52 176.92 3dhr n PHE 85 N -4.09 1.66 -0.04 3.16 3.72 -0.85 -4.61 117.46 116.40 3dhr n PHE 85 Ca -0.01 -0.82 -0.11 0.00 -0.05 0.00 0.00 57.45 56.46 3dhr n PHE 85 Cb 0.43 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 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 3.05 0.21 -0.33 4.37 0.00 -1.57 -2.18 119.26 122.81 3dhr h ALA 86 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3dhr h ALA 86 Cb 1.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3dhr h ALA 86 CO 0.40 -0.17 0.07 1.96 0.00 0.00 0.00 179.25 181.51 3dhr h GLN 87 N 0.07 0.53 0.00 0.00 4.20 -1.85 -2.98 115.11 115.09 3dhr h GLN 87 Ca 0.05 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3dhr h GLN 87 Cb 0.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3dhr h GLN 87 CO -0.00 0.60 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.48 3dhr h LEU 88 N 0.37 0.00 -0.18 1.46 3.38 -1.87 -1.98 115.31 116.49 3dhr h LEU 88 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3dhr h LEU 88 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dhr h LEU 88 CO 0.00 0.21 0.05 -1.28 0.09 0.00 0.00 178.44 177.51 3dhr h SER 89 N 0.00 0.26 -0.42 -0.43 0.87 -1.24 -1.60 113.55 111.00 3dhr h SER 89 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3dhr h SER 89 Cb 0.47 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3dhr h SER 89 CO 0.03 0.42 0.27 -0.08 -0.53 0.00 0.00 176.83 176.94 3dhr h GLU 90 N 0.10 0.55 -0.15 2.24 4.81 -1.38 -2.25 114.58 118.49 3dhr h GLU 90 Ca 0.06 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dhr h GLU 90 Cb 0.26 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3dhr h GLU 90 CO 0.00 0.37 -0.07 1.25 -0.73 0.00 0.00 179.01 179.82 3dhr h LEU 91 N 0.56 -0.25 -0.99 1.64 5.85 -1.26 0.27 115.31 121.14 3dhr h LEU 91 Ca 0.15 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 3dhr h LEU 91 Cb -0.06 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3dhr h LEU 91 CO -0.03 -0.10 -0.47 0.45 -0.34 0.00 0.00 178.44 177.95 3dhr h HIS 92 N -0.06 0.00 0.00 1.25 3.86 -1.24 -1.51 115.15 117.45 3dhr h HIS 92 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3dhr h HIS 92 Cb 0.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 3dhr h HIS 92 CO -0.21 0.47 -0.19 0.00 0.86 0.00 0.00 177.93 178.85 3dhr h ASP 94 N -1.00 0.46 0.02 0.00 3.32 -0.56 -3.14 116.42 115.52 3dhr h ASP 94 Ca -0.02 -0.52 -0.38 0.00 0.02 0.00 0.00 57.03 56.14 3dhr h ASP 94 Cb 0.30 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 3dhr h ASP 94 CO -0.01 1.41 -2.40 0.29 -1.72 0.00 0.00 179.24 176.81 3dhr n LYS 95 N -3.53 0.67 -0.04 3.56 5.02 -0.84 -4.72 118.16 118.28 3dhr n LYS 95 Ca -0.11 0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3dhr n LYS 95 Cb 1.04 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 34.35 3dhr n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dhr n LEU 96 N -3.11 0.00 -3.42 -0.35 4.77 -0.63 -5.01 117.00 109.25 3dhr n LEU 96 Ca -0.40 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.35 3dhr n LEU 96 Cb 1.05 0.18 0.07 0.00 -2.33 0.00 0.00 43.42 42.39 3dhr n LEU 96 CO 0.33 0.18 0.21 1.41 -1.33 0.00 0.00 177.39 178.19 3dhr n HIS 97 N -2.39 -2.68 -3.06 -1.77 8.25 -0.78 -4.98 115.22 107.81 3dhr n HIS 97 Ca -0.14 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 57.84 3dhr n HIS 97 Cb 0.75 -4.85 -0.05 0.00 1.12 0.00 0.00 29.99 26.96 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 -3.29 4.98 0.16 1.59 1.01 -0.62 -5.04 120.40 119.19 3dhr s VAL 98 Ca 0.53 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.49 3dhr s VAL 98 Cb -0.23 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3dhr s VAL 98 CO 0.66 0.08 1.43 -0.62 0.00 0.00 0.00 175.10 176.65 3dhr s ASP 99 N 1.22 6.75 0.63 3.32 -1.08 -1.26 -4.73 116.67 121.53 3dhr s ASP 99 Ca 0.31 2.46 0.31 0.00 -0.52 0.00 0.00 52.55 55.10 3dhr s ASP 99 Cb -0.16 -2.60 1.70 0.00 -1.46 0.00 0.00 42.92 40.41 3dhr s ASP 99 CO 0.10 -0.69 2.01 -0.65 0.52 0.00 0.00 175.17 176.47 3dhr h PRO 100 N 6.37 0.00 -0.37 4.34 0.11 -1.97 -1.55 132.00 138.93 3dhr h PRO 100 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dhr h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3dhr h PRO 100 CO 0.85 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.35 3dhr h GLU 101 N 0.00 0.49 0.00 1.05 4.57 -1.99 -1.88 114.58 116.83 3dhr h GLU 101 Ca 0.06 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3dhr h GLU 101 Cb 0.65 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3dhr h GLU 101 CO -0.00 0.35 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.13 3dhr h ASN 102 N 0.50 0.00 -0.60 1.04 2.35 -1.66 -2.17 115.58 115.04 3dhr h ASN 102 Ca 0.13 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3dhr h ASN 102 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3dhr h ASN 102 CO -0.02 0.14 0.12 -0.26 -1.65 0.00 0.00 177.43 175.76 3dhr h PHE 103 N 0.00 1.03 -0.63 1.19 0.04 -1.50 -2.36 116.94 114.71 3dhr h PHE 103 Ca -0.00 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 3dhr h PHE 103 Cb 0.37 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3dhr h PHE 103 CO 0.00 0.88 0.23 0.00 -0.60 0.00 0.00 178.31 178.82 3dhr h ARG 104 N 0.88 0.96 -0.52 1.51 3.08 -1.44 -2.45 114.38 116.40 3dhr h ARG 104 Ca 0.18 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3dhr h ARG 104 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3dhr h ARG 104 CO 0.01 0.83 0.20 -0.07 -1.07 0.00 0.00 179.97 179.86 3dhr h LEU 105 N 0.89 0.73 -0.90 3.04 3.38 -1.38 -1.81 115.31 119.25 3dhr h LEU 105 Ca 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3dhr h LEU 105 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dhr h LEU 105 CO -0.01 0.71 0.30 0.25 0.09 0.00 0.00 178.44 179.77 3dhr h LEU 106 N 0.70 1.01 -0.73 1.67 5.85 -1.36 -1.65 115.31 120.80 3dhr h LEU 106 Ca 0.17 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dhr h LEU 106 Cb 0.22 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3dhr h LEU 106 CO -0.01 0.89 0.48 1.23 -0.34 0.00 0.00 178.44 180.69 3dhr h GLY 107 N 1.11 1.04 1.01 3.75 0.00 -1.18 0.47 103.07 109.27 3dhr h GLY 107 Ca 0.25 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3dhr h GLY 107 CO -0.02 0.39 0.27 -0.55 0.00 0.00 0.00 176.54 176.62 3dhr h ASP 108 N 1.00 0.89 -0.09 0.19 3.32 -1.05 -2.06 116.42 118.62 3dhr h ASP 108 Ca 0.27 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3dhr h ASP 108 Cb -0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 3dhr h ASP 108 CO -0.06 0.81 0.05 0.40 -1.72 0.00 0.00 179.24 178.72 3dhr h ILE 109 N 0.91 1.10 -0.86 0.35 2.04 -0.91 -2.28 117.51 117.87 3dhr h ILE 109 Ca 0.22 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3dhr h ILE 109 Cb 0.19 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 3dhr h ILE 109 CO -0.02 0.09 0.51 0.25 0.00 0.00 0.00 178.15 178.98 3dhr h LEU 110 N 0.04 0.75 -0.45 1.44 5.85 -0.79 -1.15 115.31 121.00 3dhr h LEU 110 Ca 0.03 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3dhr h LEU 110 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3dhr h LEU 110 CO -0.00 0.43 0.24 0.58 -0.34 0.00 0.00 178.44 179.35 3dhr h VAL 111 N 0.86 0.99 -0.79 1.05 2.07 -1.13 -1.44 116.25 117.86 3dhr h VAL 111 Ca 0.41 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 3dhr h VAL 111 Cb 0.34 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3dhr h VAL 111 CO -0.24 0.09 0.32 0.40 0.02 0.00 0.00 177.57 178.17 3dhr h ILE 112 N 0.48 1.26 -0.71 4.57 2.04 -0.77 -0.82 117.51 123.56 3dhr h ILE 112 Ca 0.19 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3dhr h ILE 112 Cb 0.07 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3dhr h ILE 112 CO -0.12 0.33 0.23 0.40 0.00 0.00 0.00 178.15 179.00 3dhr h ILE 113 N 1.15 1.26 -0.56 -0.67 2.04 -0.96 -0.21 117.51 119.55 3dhr h ILE 113 Ca 0.26 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 3dhr h ILE 113 Cb 0.21 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3dhr h ILE 113 CO -0.02 0.34 -0.04 -0.07 0.00 0.00 0.00 178.15 178.36 3dhr h LEU 114 N 1.03 0.99 -0.65 1.44 3.38 -1.05 -1.56 115.31 118.90 3dhr h LEU 114 Ca 0.23 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dhr h LEU 114 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3dhr h LEU 114 CO -0.01 1.07 0.36 0.00 0.09 0.00 0.00 178.44 179.95 3dhr h ALA 115 N 1.03 0.83 -0.34 1.53 0.00 -0.77 -0.69 119.26 120.84 3dhr h ALA 115 Ca 0.16 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3dhr h ALA 115 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dhr h ALA 115 CO 0.04 0.34 -0.28 0.00 0.00 0.00 0.00 179.25 179.34 3dhr h ALA 116 N 1.17 0.87 0.04 0.00 0.00 -0.86 -0.49 119.26 119.98 3dhr h ALA 116 Ca 0.23 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 3dhr h ALA 116 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dhr h ALA 116 CO -0.04 0.63 -1.03 0.45 0.00 0.00 0.00 179.25 179.27 3dhr h HIS 117 N 0.61 0.57 0.00 0.00 -0.00 -1.13 -3.37 115.15 111.83 3dhr h HIS 117 Ca 0.07 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3dhr h HIS 117 Cb 0.79 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 3dhr h HIS 117 CO 0.04 1.18 -1.62 1.19 -0.00 0.00 0.00 177.93 178.72 3dhr n PHE 118 N -3.69 0.00 0.00 2.45 3.72 -0.28 -5.04 117.46 114.62 3dhr n PHE 118 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3dhr n PHE 118 Cb 0.89 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.42 3.71 0.25 1.37 0.00 -0.20 -2.45 105.19 109.28 3dhr n GLY 119 Ca -0.02 0.22 0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.96 -2.07 116.57 117.79 3dhr h LYS 120 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 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 0.00 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.37 3dhr h ASP 121 N 0.00 0.00 -0.26 4.20 3.32 -1.89 -3.35 116.42 118.45 3dhr h ASP 121 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 3dhr h ASP 121 Cb 0.59 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 3dhr h ASP 121 CO 0.00 0.37 2.87 0.33 -1.72 0.00 0.00 179.24 181.09 3dhr n PHE 122 N -3.43 3.84 -1.22 4.55 7.35 -0.78 -4.87 117.46 122.89 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 0.54 -2.57 0.12 0.00 0.35 0.00 0.00 39.48 37.92 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 3.42 2.94 0.31 -2.13 -4.23 -1.26 -4.70 115.64 109.99 3dhr s THR 123 Ca 0.49 0.30 0.07 0.00 -1.18 0.00 0.00 61.69 61.37 3dhr s THR 123 Cb 0.11 -2.78 0.30 0.00 1.34 0.00 0.00 72.50 71.47 3dhr s THR 123 CO -0.04 -0.40 1.77 -0.65 -0.54 0.00 0.00 174.62 174.76 3dhr h PRO 124 N -1.37 0.71 -0.49 3.99 0.11 -1.94 0.15 132.00 133.17 3dhr h PRO 124 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3dhr h PRO 124 Cb 1.26 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3dhr h PRO 124 CO 0.53 0.47 0.23 1.49 -0.21 0.00 0.00 178.00 180.51 3dhr h GLU 125 N 0.74 0.70 -0.69 1.05 4.81 -1.98 -1.81 114.58 117.40 3dhr h GLU 125 Ca 0.59 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 3dhr h GLU 125 Cb 0.95 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3dhr h GLU 125 CO -0.39 0.60 0.32 0.00 -0.73 0.00 0.00 179.01 178.81 3dhr h GLN 127 N 0.96 0.64 -0.94 0.00 4.15 -0.64 -2.27 115.11 117.01 3dhr h GLN 127 Ca 0.24 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.65 3dhr h GLN 127 Cb 0.14 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3dhr h GLN 127 CO -0.03 0.43 0.61 0.00 -1.93 0.00 0.00 178.83 177.92 3dhr h ALA 128 N 1.17 1.24 -0.42 3.38 0.00 -1.09 0.83 119.26 124.37 3dhr h ALA 128 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3dhr h ALA 128 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3dhr h ALA 128 CO -0.04 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3dhr h ALA 129 N 1.38 0.56 -0.08 0.00 0.00 -1.28 -2.39 119.26 117.46 3dhr h ALA 129 Ca 0.37 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3dhr h ALA 129 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dhr h ALA 129 CO -0.12 0.36 -0.78 -1.49 0.00 0.00 0.00 179.25 177.22 3dhr h TRP 130 N 0.57 0.65 -0.57 0.00 4.06 -0.95 -2.03 115.95 117.68 3dhr h TRP 130 Ca 0.12 -0.30 -0.10 0.00 2.06 0.00 0.00 58.89 60.66 3dhr h TRP 130 Cb 0.50 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 3dhr h TRP 130 CO 0.04 1.08 -0.05 0.37 -3.56 0.00 0.00 178.44 176.31 3dhr h GLN 131 N 0.31 1.03 -0.59 0.49 5.75 -0.90 -1.40 115.11 119.80 3dhr h GLN 131 Ca -0.04 -0.35 0.04 0.00 -0.15 0.00 0.00 58.65 58.15 3dhr h GLN 131 Cb 1.37 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.79 3dhr h GLN 131 CO 0.14 1.04 0.33 -0.22 -2.65 0.00 0.00 178.83 177.47 3dhr h LYS 132 N 0.93 0.62 0.07 1.69 3.64 -1.37 -1.70 116.57 120.45 3dhr h LYS 132 Ca 0.16 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3dhr h LYS 132 Cb 0.61 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3dhr h LYS 132 CO 0.04 0.41 -0.03 1.25 -2.27 0.00 0.00 179.45 178.85 3dhr h LEU 133 N 0.64 -0.08 -1.52 5.20 5.85 -1.04 -1.98 115.31 122.38 3dhr h LEU 133 Ca 0.26 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3dhr h LEU 133 Cb 0.11 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3dhr h LEU 133 CO -0.15 0.07 -0.24 -0.37 -0.34 0.00 0.00 178.44 177.42 3dhr h VAL 134 N -0.23 0.86 -0.26 1.05 -1.51 -1.20 -0.95 116.25 114.01 3dhr h VAL 134 Ca -0.01 -0.91 -0.14 0.00 -1.23 0.00 0.00 66.70 64.41 3dhr h VAL 134 Cb 0.19 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3dhr h VAL 134 CO 0.02 0.23 -0.39 -0.09 -1.23 0.00 0.00 177.57 176.10 3dhr h ARG 135 N 0.00 0.73 -0.23 5.19 2.43 -1.18 -0.88 114.38 120.45 3dhr h ARG 135 Ca -0.00 -0.44 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 3dhr h ARG 135 Cb 0.52 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3dhr h ARG 135 CO 0.03 1.06 -0.35 0.28 -1.51 0.00 0.00 179.97 179.48 3dhr h VAL 136 N 0.47 1.29 -0.26 0.20 2.07 -0.96 -0.77 116.25 118.28 3dhr h VAL 136 Ca 0.03 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 3dhr h VAL 136 Cb 0.99 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3dhr h VAL 136 CO 0.09 0.45 -0.01 0.58 0.02 0.00 0.00 177.57 178.71 3dhr h VAL 137 N 0.41 1.26 -0.58 2.57 2.07 -1.15 -1.29 116.25 119.54 3dhr h VAL 137 Ca 0.05 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3dhr h VAL 137 Cb 0.80 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3dhr h VAL 137 CO 0.06 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.32 3dhr h ALA 138 N 0.81 0.74 -0.82 1.67 0.00 -0.99 -1.86 119.26 118.81 3dhr h ALA 138 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dhr h ALA 138 Cb 0.43 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dhr h ALA 138 CO 0.02 0.13 0.39 1.25 0.00 0.00 0.00 179.25 181.03 3dhr h HIS 139 N 0.75 1.18 0.00 0.00 6.17 -1.10 -2.12 115.15 120.02 3dhr h HIS 139 Ca 0.22 -0.06 -0.06 0.00 0.71 0.00 0.00 60.37 61.19 3dhr h HIS 139 Cb -0.04 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 29.51 3dhr h HIS 139 CO -0.04 0.86 -0.27 0.00 0.71 0.00 0.00 177.93 179.18 3dhr h ALA 140 N 1.25 1.21 0.00 5.26 0.00 -0.77 -2.64 119.26 123.57 3dhr h ALA 140 Ca 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dhr h ALA 140 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dhr h ALA 140 CO -0.03 0.34 -0.93 -0.07 0.00 0.00 0.00 179.25 178.55 3dhr h LEU 141 N 0.00 0.00 -1.01 0.00 3.38 -1.05 -3.28 115.31 113.35 3dhr h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dhr h LEU 141 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dhr h LEU 141 CO 0.04 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3dhr n ALA 142 N -2.25 2.57 -0.30 1.53 0.00 -0.82 -4.43 120.51 116.80 3dhr n ALA 142 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 3dhr n ALA 142 Cb 0.67 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 2.43 1.03 -0.13 0.00 2.43 -1.53 -2.46 114.38 116.14 3dhr h ARG 143 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3dhr h ARG 143 Cb 0.52 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3dhr h ARG 143 CO 0.00 0.68 0.00 1.63 -1.51 0.00 0.00 179.97 180.77 3dhr n LYS 144 N -4.55 1.64 0.06 0.20 5.02 -1.26 -2.70 118.16 116.56 3dhr n LYS 144 Ca 0.09 -0.96 -0.18 0.00 -2.02 0.00 0.00 58.31 55.25 3dhr n LYS 144 Cb 0.06 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3dhr n LYS 144 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3dhr h TYR 145 N 1.99 0.48 -0.01 2.13 0.05 -1.74 -3.48 116.97 116.38 3dhr h TYR 145 Ca 0.00 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.43 3dhr h TYR 145 Cb 0.43 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3dhr h TYR 145 CO 0.08 1.44 0.00 0.72 -1.05 0.00 0.00 178.16 179.35