#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 3.33 0.61 4.41 0.52 -1.26 -5.07 118.94 121.48 3dhr s TRP 3 Ca 0.00 0.95 -0.07 0.00 0.02 0.00 0.00 56.10 56.99 3dhr s TRP 3 Cb 0.00 -2.88 0.01 0.00 -1.15 0.00 0.00 33.47 29.44 3dhr s TRP 3 CO 0.00 -0.29 0.94 -1.54 0.02 0.00 0.00 176.95 176.09 3dhr s SER 4 N 1.34 5.62 0.31 2.95 1.04 -1.26 -4.98 113.70 118.71 3dhr s SER 4 Ca 0.30 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.60 3dhr s SER 4 Cb -0.16 -1.81 0.50 0.00 0.10 0.00 0.00 66.02 64.65 3dhr s SER 4 CO 0.09 -1.09 1.79 0.00 0.98 0.00 0.00 173.24 175.01 3dhr h ALA 5 N -0.26 1.22 0.00 5.32 0.00 -1.99 -2.34 119.26 121.20 3dhr h ALA 5 Ca -0.45 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 3dhr h ALA 5 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3dhr h ALA 5 CO 0.61 0.50 -0.34 1.49 0.00 0.00 0.00 179.25 181.52 3dhr h GLU 6 N 0.45 0.00 -0.13 0.00 4.81 -1.99 -1.46 114.58 116.26 3dhr h GLU 6 Ca 0.08 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 3dhr h GLU 6 Cb 0.52 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3dhr h GLU 6 CO 0.03 0.34 -0.77 0.93 -0.73 0.00 0.00 179.01 178.82 3dhr h GLU 7 N 0.00 0.70 -0.70 1.92 5.08 -1.88 -2.69 114.58 117.01 3dhr h GLU 7 Ca -0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 3dhr h GLU 7 Cb 0.92 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3dhr h GLU 7 CO 0.04 1.19 0.22 0.87 -1.00 0.00 0.00 179.01 180.33 3dhr h LYS 8 N 0.48 1.07 -0.03 2.33 1.57 -1.16 -2.47 116.57 118.36 3dhr h LYS 8 Ca -0.05 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 3dhr h LYS 8 Cb 1.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3dhr h LYS 8 CO 0.15 0.91 -0.73 -0.56 -0.57 0.00 0.00 179.45 178.66 3dhr h GLN 9 N 1.04 0.18 -0.07 3.15 3.07 -1.30 -1.03 115.11 120.14 3dhr h GLN 9 Ca 0.23 -0.15 -0.17 0.00 0.09 0.00 0.00 58.65 58.65 3dhr h GLN 9 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 3dhr h GLN 9 CO -0.01 0.83 -0.69 -0.07 0.09 0.00 0.00 178.83 178.97 3dhr h LEU 10 N 0.12 0.38 0.02 0.06 3.38 -1.39 -2.13 115.31 115.74 3dhr h LEU 10 Ca -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3dhr h LEU 10 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dhr h LEU 10 CO 0.11 0.95 -0.20 0.40 0.09 0.00 0.00 178.44 179.80 3dhr h ILE 11 N 0.22 1.65 -0.79 1.22 2.04 -1.44 -3.23 117.51 117.18 3dhr h ILE 11 Ca -0.02 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 3dhr h ILE 11 Cb 1.25 3.09 -0.04 0.00 -0.74 0.00 0.00 36.82 40.38 3dhr h ILE 11 CO 0.11 0.58 0.48 0.74 0.00 0.00 0.00 178.15 180.06 3dhr h THR 12 N -0.72 1.22 -0.22 -0.27 2.02 -1.27 -1.87 112.91 111.80 3dhr h THR 12 Ca -0.03 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3dhr h THR 12 Cb 1.06 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3dhr h THR 12 CO 0.04 0.23 0.01 0.77 0.37 0.00 0.00 175.52 176.94 3dhr h SER 13 N 1.08 0.37 -0.44 4.18 4.64 -1.52 -1.84 113.55 120.01 3dhr h SER 13 Ca 0.28 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3dhr h SER 13 Cb -0.04 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3dhr h SER 13 CO -0.05 0.57 0.13 0.40 -0.87 0.00 0.00 176.83 177.01 3dhr h ILE 14 N 0.16 1.23 -0.30 0.95 5.03 -1.57 -3.14 117.51 119.87 3dhr h ILE 14 Ca 0.06 -0.76 -0.02 0.00 -0.12 0.00 0.00 64.86 64.02 3dhr h ILE 14 Cb 0.37 0.88 -0.02 0.00 -3.03 0.00 0.00 36.82 35.03 3dhr h ILE 14 CO 0.01 0.27 0.09 -0.25 -0.68 0.00 0.00 178.15 177.59 3dhr h TRP 15 N 0.58 0.42 0.00 1.37 2.91 -1.24 -1.39 115.95 118.60 3dhr h TRP 15 Ca 0.14 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3dhr h TRP 15 Cb 0.28 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 3dhr h TRP 15 CO 0.01 0.36 0.00 0.78 -1.03 0.00 0.00 178.44 178.56 3dhr h GLY 16 N 0.61 0.00 -1.07 2.65 0.00 -1.28 -2.33 103.07 101.65 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 -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 3dhr n LYS 17 N -2.97 1.01 -3.09 4.80 5.02 -0.54 -4.98 118.16 117.41 3dhr n LYS 17 Ca -0.02 -1.36 -0.41 0.00 -2.02 0.00 0.00 58.31 54.49 3dhr n LYS 17 Cb 0.09 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.05 4.92 -0.38 -0.18 1.01 -0.88 -5.02 120.40 118.83 3dhr s VAL 18 Ca 0.16 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3dhr s VAL 18 Cb 0.11 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3dhr s VAL 18 CO 0.16 -0.14 1.37 0.21 0.00 0.00 0.00 175.10 176.71 3dhr s ASN 19 N 1.62 6.44 0.27 3.32 3.84 -1.26 -4.92 114.94 124.25 3dhr s ASN 19 Ca 0.26 0.94 -0.04 0.00 0.21 0.00 0.00 52.86 54.23 3dhr s ASN 19 Cb -0.15 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.34 3dhr s ASN 19 CO 0.12 -1.32 1.92 0.58 -2.79 0.00 0.00 177.10 175.60 3dhr h VAL 20 N 6.30 1.24 -0.00 -5.21 2.07 -1.95 -1.88 116.25 116.81 3dhr h VAL 20 Ca -0.27 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dhr h VAL 20 Cb 1.10 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3dhr h VAL 20 CO 1.07 0.25 -0.00 0.00 0.02 0.00 0.00 177.57 178.91 3dhr h ALA 21 N 1.39 0.00 0.16 1.67 0.00 -1.91 -1.91 119.26 118.66 3dhr h ALA 21 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dhr h ALA 21 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dhr h ALA 21 CO -0.06 -0.30 -0.08 -0.44 0.00 0.00 0.00 179.25 178.37 3dhr h ASP 22 N -0.39 -0.18 0.35 0.00 3.32 -1.92 -2.15 116.42 115.46 3dhr h ASP 22 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 3dhr h ASP 22 Cb 0.39 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3dhr h ASP 22 CO 0.00 0.20 -0.48 0.00 -1.72 0.00 0.00 179.24 177.24 3dhr h GLY 24 N 1.37 1.02 0.91 0.00 0.00 -1.38 -0.24 103.07 104.76 3dhr h GLY 24 Ca 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3dhr h GLY 24 CO 0.07 0.63 0.11 0.00 0.00 0.00 0.00 176.54 177.35 3dhr h ALA 25 N 1.00 0.41 -0.52 3.60 0.00 -1.21 -2.49 119.26 120.06 3dhr h ALA 25 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dhr h ALA 25 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dhr h ALA 25 CO 0.01 0.04 0.04 1.49 0.00 0.00 0.00 179.25 180.83 3dhr h GLU 26 N 0.36 0.86 0.27 0.00 4.81 -1.31 -1.83 114.58 117.73 3dhr h GLU 26 Ca 0.10 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3dhr h GLU 26 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3dhr h GLU 26 CO -0.00 0.83 -0.19 0.00 -0.73 0.00 0.00 179.01 178.92 3dhr h ALA 27 N 1.23 -0.45 -0.34 2.92 0.00 -0.92 -1.59 119.26 120.12 3dhr h ALA 27 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3dhr h ALA 27 Cb 0.43 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dhr h ALA 27 CO 0.02 -0.77 -0.46 1.25 0.00 0.00 0.00 179.25 179.29 3dhr h LEU 28 N -0.46 0.99 -0.40 0.00 5.85 -1.41 -2.20 115.31 117.68 3dhr h LEU 28 Ca -0.02 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3dhr h LEU 28 Cb 0.40 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3dhr h LEU 28 CO 0.01 1.29 0.26 0.00 -0.34 0.00 0.00 178.44 179.66 3dhr h ALA 29 N 0.74 0.51 -0.72 1.25 0.00 -1.34 -2.15 119.26 117.56 3dhr h ALA 29 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dhr h ALA 29 Cb 1.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3dhr h ALA 29 CO 0.11 -0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.60 3dhr h ARG 30 N 0.54 1.08 -0.17 0.00 3.08 -1.22 -1.75 114.38 115.94 3dhr h ARG 30 Ca 0.15 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3dhr h ARG 30 Cb -0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3dhr h ARG 30 CO -0.03 0.89 0.05 1.25 -1.07 0.00 0.00 179.97 181.06 3dhr h LEU 31 N 1.05 0.05 -1.18 3.04 5.85 -1.08 0.17 115.31 123.21 3dhr h LEU 31 Ca 0.24 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3dhr h LEU 31 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3dhr h LEU 31 CO -0.02 0.06 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.78 3dhr h LEU 32 N 0.13 0.00 0.09 2.25 3.38 -1.24 -0.80 115.31 119.12 3dhr h LEU 32 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3dhr h LEU 32 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3dhr h LEU 32 CO -0.08 0.29 -1.38 0.40 0.09 0.00 0.00 178.44 177.76 3dhr h ILE 33 N 0.00 1.00 0.11 1.22 2.04 -1.06 -3.30 117.51 117.52 3dhr h ILE 33 Ca -0.00 -2.35 -0.27 0.00 1.00 0.00 0.00 64.86 63.24 3dhr h ILE 33 Cb 0.74 2.63 0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3dhr h ILE 33 CO 0.04 0.65 -1.19 0.58 0.00 0.00 0.00 178.15 178.23 3dhr h VAL 34 N -0.43 1.41 -3.05 1.67 2.07 -0.72 -3.39 116.25 113.81 3dhr h VAL 34 Ca -0.31 -2.74 -0.62 0.00 0.82 0.00 0.00 66.70 63.85 3dhr h VAL 34 Cb 1.66 2.76 -0.41 0.00 -1.52 0.00 0.00 31.29 33.78 3dhr h VAL 34 CO 0.01 0.81 -0.63 -0.31 0.02 0.00 0.00 177.57 177.47 3dhr s TYR 35 N -2.88 3.20 0.49 1.57 2.02 -0.31 -5.00 117.35 116.45 3dhr s TYR 35 Ca -0.06 -3.18 0.36 0.00 -0.37 0.00 0.00 57.07 53.82 3dhr s TYR 35 Cb 0.07 -2.51 1.88 0.00 -0.40 0.00 0.00 41.96 41.00 3dhr s TYR 35 CO 0.90 -0.61 2.21 -1.35 -1.57 0.00 0.00 175.55 175.12 3dhr h PRO 36 N 5.62 0.00 0.00 -1.71 0.11 -1.76 -2.30 132.00 131.96 3dhr h PRO 36 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3dhr h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3dhr h PRO 36 CO 0.67 0.03 -0.08 0.11 -0.21 0.00 0.00 178.00 178.53 3dhr h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.89 115.95 112.88 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 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.42 3dhr h TRP 37 CO 0.00 0.08 -0.01 1.79 0.09 0.00 0.00 178.44 180.39 3dhr h THR 38 N 0.00 0.06 0.00 0.12 1.35 -1.73 -2.68 112.91 110.02 3dhr h THR 38 Ca -0.00 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3dhr h THR 38 Cb 0.31 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3dhr h THR 38 CO 0.01 0.01 -0.05 1.56 -0.25 0.00 0.00 175.52 176.80 3dhr h GLN 39 N 0.00 0.00 -0.89 4.72 4.20 -1.55 -2.55 115.11 119.05 3dhr h GLN 39 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3dhr h GLN 39 Cb 0.22 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 3dhr h GLN 39 CO 0.00 0.05 0.58 -0.09 -0.67 0.00 0.00 178.83 178.70 3dhr h ARG 40 N 0.00 1.09 0.00 1.46 2.43 -1.68 -2.60 114.38 115.08 3dhr h ARG 40 Ca -0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3dhr h ARG 40 Cb 0.15 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3dhr h ARG 40 CO 0.01 0.72 -0.21 0.74 -1.51 0.00 0.00 179.97 179.72 3dhr h PHE 41 N 1.13 0.00 -0.52 2.20 0.04 -1.67 -3.24 116.94 114.88 3dhr h PHE 41 Ca 0.35 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.74 3dhr h PHE 41 Cb -0.01 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 37.85 3dhr h PHE 41 CO -0.00 0.21 -0.66 1.19 -0.60 0.00 0.00 178.31 178.45 3dhr n PHE 42 N -3.35 1.89 0.10 -0.55 3.72 -1.01 -4.82 117.46 113.44 3dhr n PHE 42 Ca 0.00 -2.00 0.03 0.00 -0.05 0.00 0.00 57.45 55.43 3dhr n PHE 42 Cb 0.43 -0.34 0.43 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.78 0.27 0.00 4.37 4.64 -1.52 -2.29 113.55 120.80 3dhr h SER 43 Ca 0.26 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3dhr h SER 43 Cb 1.37 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dhr h SER 43 CO 0.54 0.33 0.00 -1.54 -0.87 0.00 0.00 176.83 175.29 3dhr n SER 44 N -4.36 0.00 0.09 4.97 3.41 -1.26 -3.69 113.62 112.78 3dhr n SER 44 Ca -0.00 -1.29 -0.07 0.00 -0.26 0.00 0.00 58.87 57.25 3dhr n SER 44 Cb 0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.19 0.00 7.33 -1.00 -1.81 -3.50 116.94 118.14 3dhr h PHE 45 Ca 0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3dhr h PHE 45 Cb 0.00 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.54 3dhr h PHE 45 CO 0.00 0.92 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 3dhr n GLY 46 N 0.87 0.43 3.60 -1.45 0.00 -1.24 -4.67 105.19 102.73 3dhr n GLY 46 Ca -0.03 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 6.61 -0.18 1.61 2.47 -1.26 -4.86 114.94 115.33 3dhr s ASN 47 Ca 0.00 0.44 0.13 0.00 0.42 0.00 0.00 52.86 53.85 3dhr s ASN 47 Cb 0.00 -2.55 0.39 0.00 -1.45 0.00 0.00 41.25 37.64 3dhr s ASN 47 CO 0.00 -1.28 1.20 0.18 -3.72 0.00 0.00 177.10 173.48 3dhr n LEU 48 N 7.92 2.52 0.17 3.21 4.77 -1.26 -3.98 117.00 130.35 3dhr n LEU 48 Ca 0.12 -3.62 0.13 0.00 -0.03 0.00 0.00 56.01 52.61 3dhr n LEU 48 Cb 0.49 -0.48 0.38 0.00 -2.33 0.00 0.00 43.42 41.49 3dhr n LEU 48 CO 0.72 1.22 0.87 0.28 -1.33 0.00 0.00 177.39 179.15 3dhr h SER 49 N 0.81 0.00 -5.20 -1.43 0.02 -1.94 -3.46 113.55 102.34 3dhr h SER 49 Ca -0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3dhr h SER 49 Cb 1.05 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.46 3dhr h SER 49 CO 0.01 0.00 -0.35 -0.94 -1.14 0.00 0.00 176.83 174.41 3dhr s SER 50 N -5.19 0.08 0.21 3.07 1.04 -1.26 -5.06 113.70 106.59 3dhr s SER 50 Ca 0.07 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 3dhr s SER 50 Cb 0.09 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.78 3dhr s SER 50 CO 0.58 -0.80 1.84 0.00 0.98 0.00 0.00 173.24 175.84 3dhr h ALA 51 N 2.66 0.89 -0.45 5.32 0.00 -1.98 -0.58 119.26 125.11 3dhr h ALA 51 Ca -0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3dhr h ALA 51 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3dhr h ALA 51 CO 0.53 0.17 -0.05 1.15 0.00 0.00 0.00 179.25 181.04 3dhr h THR 52 N 0.81 1.27 -0.84 0.00 2.02 -1.98 0.18 112.91 114.37 3dhr h THR 52 Ca 0.28 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3dhr h THR 52 Cb 0.05 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3dhr h THR 52 CO -0.12 0.39 0.54 0.00 0.37 0.00 0.00 175.52 176.70 3dhr h ALA 53 N 0.89 1.07 -0.09 6.16 0.00 -1.79 -1.18 119.26 124.31 3dhr h ALA 53 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3dhr h ALA 53 Cb 0.57 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dhr h ALA 53 CO 0.03 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.57 3dhr h ILE 54 N 1.14 1.29 -0.42 0.00 2.04 -0.92 -1.76 117.51 118.88 3dhr h ILE 54 Ca 0.31 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3dhr h ILE 54 Cb -0.10 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3dhr h ILE 54 CO -0.06 0.27 0.28 0.28 0.00 0.00 0.00 178.15 178.91 3dhr h SER 55 N -0.15 0.48 -0.16 1.72 0.02 -0.43 -2.76 113.55 112.26 3dhr h SER 55 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3dhr h SER 55 Cb 0.43 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3dhr h SER 55 CO 0.01 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 3dhr n GLY 56 N -1.47 1.07 3.65 -3.77 0.00 -0.46 -4.88 105.19 99.32 3dhr n GLY 56 Ca 0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.54 6.58 0.36 1.61 3.84 -0.66 -4.91 114.94 120.23 3dhr s ASN 57 Ca 0.28 2.10 0.05 0.00 0.21 0.00 0.00 52.86 55.50 3dhr s ASN 57 Cb 0.18 -2.53 0.72 0.00 -0.55 0.00 0.00 41.25 39.07 3dhr s ASN 57 CO 0.26 -1.02 1.98 1.55 -2.79 0.00 0.00 177.10 177.08 3dhr h PRO 58 N 9.90 0.75 -0.25 0.43 0.13 -1.90 -2.04 132.00 139.01 3dhr h PRO 58 Ca -0.38 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 3dhr h PRO 58 Cb 1.17 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3dhr h PRO 58 CO 0.96 0.49 -0.44 -0.91 -0.23 0.00 0.00 178.00 177.87 3dhr h ASN 59 N 0.77 0.69 -0.23 1.44 2.35 -1.91 -1.03 115.58 117.66 3dhr h ASN 59 Ca 0.29 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3dhr h ASN 59 Cb 0.16 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3dhr h ASN 59 CO -0.09 1.03 0.12 0.58 -1.65 0.00 0.00 177.43 177.43 3dhr h VAL 60 N 0.52 1.12 -0.56 2.81 2.07 -1.72 0.26 116.25 120.75 3dhr h VAL 60 Ca 0.04 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3dhr h VAL 60 Cb 0.97 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3dhr h VAL 60 CO 0.09 0.12 0.29 0.11 0.02 0.00 0.00 177.57 178.19 3dhr h LYS 61 N 0.25 0.80 -0.38 1.57 1.57 -1.34 -0.69 116.57 118.35 3dhr h LYS 61 Ca 0.08 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3dhr h LYS 61 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3dhr h LYS 61 CO -0.01 0.63 -0.21 0.00 -0.57 0.00 0.00 179.45 179.29 3dhr h ALA 62 N 1.12 0.91 -0.00 3.86 0.00 -1.06 -2.89 119.26 121.20 3dhr h ALA 62 Ca 0.19 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3dhr h ALA 62 Cb 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dhr h ALA 62 CO -0.03 0.62 -0.96 1.25 0.00 0.00 0.00 179.25 180.13 3dhr h HIS 63 N 0.65 0.98 -0.96 0.00 -0.00 -0.81 -3.16 115.15 111.84 3dhr h HIS 63 Ca 0.09 -0.53 0.10 0.00 -0.00 0.00 0.00 60.37 60.03 3dhr h HIS 63 Cb 0.71 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.94 3dhr h HIS 63 CO 0.04 1.36 0.62 0.78 -0.00 0.00 0.00 177.93 180.73 3dhr h GLY 64 N 0.31 1.48 0.91 5.26 0.00 -1.13 -0.74 103.07 109.17 3dhr h GLY 64 Ca -0.12 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.82 3dhr h GLY 64 CO 0.19 0.23 0.56 1.70 0.00 0.00 0.00 176.54 179.21 3dhr h LYS 65 N 1.01 1.06 -0.53 4.80 3.64 -1.55 -1.75 116.57 123.26 3dhr h LYS 65 Ca 0.45 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3dhr h LYS 65 Cb 0.37 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3dhr h LYS 65 CO -0.21 0.70 -0.05 0.87 -2.27 0.00 0.00 179.45 178.50 3dhr h LYS 66 N 1.10 0.94 -0.28 1.90 1.57 -1.15 -2.09 116.57 118.56 3dhr h LYS 66 Ca 0.34 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3dhr h LYS 66 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3dhr h LYS 66 CO -0.10 0.96 0.07 0.28 -0.57 0.00 0.00 179.45 180.09 3dhr h VAL 67 N 0.85 1.21 0.00 0.50 2.07 -0.85 -2.84 116.25 117.20 3dhr h VAL 67 Ca 0.15 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3dhr h VAL 67 Cb 0.57 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3dhr h VAL 67 CO 0.03 0.22 -0.36 -0.07 0.02 0.00 0.00 177.57 177.42 3dhr h LEU 68 N 0.28 0.00 -1.17 2.57 4.07 -1.33 -2.75 115.31 116.98 3dhr h LEU 68 Ca 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 3dhr h LEU 68 Cb 0.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3dhr h LEU 68 CO -0.00 0.36 -0.02 0.74 -1.08 0.00 0.00 178.44 178.44 3dhr h THR 69 N 0.00 1.21 -0.16 0.22 2.02 -1.31 -1.90 112.91 112.99 3dhr h THR 69 Ca -0.00 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.20 3dhr h THR 69 Cb 1.02 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3dhr h THR 69 CO 0.05 0.29 -0.45 0.28 0.37 0.00 0.00 175.52 176.05 3dhr h SER 70 N 0.53 0.44 0.02 4.18 0.02 -1.25 -2.24 113.55 115.26 3dhr h SER 70 Ca 0.11 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3dhr h SER 70 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3dhr h SER 70 CO 0.01 0.83 -0.12 -0.26 -1.14 0.00 0.00 176.83 176.15 3dhr h PHE 71 N 0.33 0.23 -0.24 3.45 0.04 -1.21 -2.54 116.94 117.00 3dhr h PHE 71 Ca 0.02 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3dhr h PHE 71 Cb 0.93 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 3dhr h PHE 71 CO 0.03 0.35 -0.18 0.78 -0.60 0.00 0.00 178.31 178.68 3dhr h GLY 72 N 0.71 0.45 1.97 -1.45 0.00 -0.78 -2.28 103.07 101.70 3dhr h GLY 72 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3dhr h GLY 72 CO 0.02 0.30 -0.40 -0.55 0.00 0.00 0.00 176.54 175.91 3dhr h ASP 73 N 0.38 0.03 0.16 0.19 3.32 -1.04 -2.48 116.42 116.98 3dhr h ASP 73 Ca 0.07 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 3dhr h ASP 73 Cb 0.54 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3dhr h ASP 73 CO 0.04 0.43 -0.61 0.00 -1.72 0.00 0.00 179.24 177.38 3dhr h ALA 74 N 1.57 0.71 -0.44 3.45 0.00 -1.22 -2.62 119.26 120.71 3dhr h ALA 74 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3dhr h ALA 74 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3dhr h ALA 74 CO 0.05 0.71 -0.15 0.28 0.00 0.00 0.00 179.25 180.15 3dhr h VAL 75 N 0.33 1.26 -0.05 0.00 2.07 -1.14 -2.73 116.25 116.00 3dhr h VAL 75 Ca -0.01 -1.25 -0.20 0.00 0.82 0.00 0.00 66.70 66.07 3dhr h VAL 75 Cb 1.15 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3dhr h VAL 75 CO 0.11 0.43 -0.82 0.11 0.02 0.00 0.00 177.57 177.41 3dhr h LYS 76 N 0.74 0.41 -2.25 1.57 1.57 -1.46 -3.35 116.57 113.80 3dhr h LYS 76 Ca 0.12 -0.38 -0.61 0.00 -1.87 0.00 0.00 60.65 57.90 3dhr h LYS 76 Cb 0.66 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 32.65 3dhr h LYS 76 CO 0.05 1.03 -0.51 0.09 -0.57 0.00 0.00 179.45 179.54 3dhr n ASN 77 N -3.79 4.15 -0.05 0.86 3.02 -0.99 -4.91 115.26 113.54 3dhr n ASN 77 Ca -0.05 -3.51 -0.03 0.00 -0.03 0.00 0.00 54.58 50.96 3dhr n ASN 77 Cb 0.76 -0.68 0.22 0.00 -0.61 0.00 0.00 39.78 39.47 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 3.94 0.62 -0.01 3.41 3.38 -1.63 -2.88 115.31 122.15 3dhr h LEU 78 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dhr h LEU 78 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3dhr h LEU 78 CO 0.86 0.71 0.00 0.47 0.09 0.00 0.00 178.44 180.58 3dhr n ASP 79 N -4.23 0.13 -3.01 -0.43 8.00 -1.26 -4.03 116.55 111.73 3dhr n ASP 79 Ca 0.02 0.51 -0.18 0.00 0.71 0.00 0.00 54.79 55.86 3dhr n ASP 79 Cb 0.29 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.63 1.62 0.05 -2.24 2.85 -1.09 -4.91 115.26 109.92 3dhr n ASN 80 Ca 0.07 -3.06 -0.15 0.00 -0.11 0.00 0.00 54.58 51.32 3dhr n ASN 80 Cb 0.35 -0.58 -0.05 0.00 1.24 0.00 0.00 39.78 40.73 3dhr n ASN 80 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3dhr h ILE 81 N 1.78 1.35 -0.69 -1.44 2.04 -1.69 -2.83 117.51 116.03 3dhr h ILE 81 Ca 0.07 -2.28 0.04 0.00 1.00 0.00 0.00 64.86 63.69 3dhr h ILE 81 Cb 0.95 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 3dhr h ILE 81 CO 0.56 0.69 0.46 0.11 0.00 0.00 0.00 178.15 179.97 3dhr h LYS 82 N 0.32 0.77 0.11 2.37 1.57 -1.91 -2.63 116.57 117.18 3dhr h LYS 82 Ca -0.08 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.39 3dhr h LYS 82 Cb 1.53 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 3dhr h LYS 82 CO 0.16 0.51 -1.22 0.78 -0.57 0.00 0.00 179.45 179.11 3dhr h GLY 83 N 0.80 0.26 2.00 3.86 0.00 -1.96 -3.34 103.07 104.68 3dhr h GLY 83 Ca 0.28 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3dhr h GLY 83 CO -0.08 0.58 -0.36 -0.84 0.00 0.00 0.00 176.54 175.84 3dhr h THR 84 N 0.06 1.11 -0.43 4.70 2.02 -1.22 -3.21 112.91 115.94 3dhr h THR 84 Ca -0.12 -1.29 -0.16 0.00 0.77 0.00 0.00 66.41 65.61 3dhr h THR 84 Cb 1.94 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 69.98 3dhr h THR 84 CO 0.19 0.35 0.06 0.49 0.37 0.00 0.00 175.52 176.98 3dhr n PHE 85 N -3.90 1.40 -0.08 3.16 3.72 -1.02 -4.68 117.46 116.05 3dhr n PHE 85 Ca -0.01 -1.34 -0.12 0.00 -0.05 0.00 0.00 57.45 55.93 3dhr n PHE 85 Cb 0.42 -0.50 -0.05 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.46 0.34 -0.22 4.37 0.00 -1.67 -1.98 119.26 121.57 3dhr h ALA 86 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3dhr h ALA 86 Cb 1.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3dhr h ALA 86 CO 0.45 0.19 -0.10 1.96 0.00 0.00 0.00 179.25 181.75 3dhr h GLN 87 N 0.23 0.45 0.00 0.00 4.20 -1.86 -3.00 115.11 115.12 3dhr h GLN 87 Ca 0.06 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3dhr h GLN 87 Cb 0.60 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3dhr h GLN 87 CO 0.03 0.73 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.71 3dhr h LEU 88 N 0.16 0.00 -0.57 1.46 3.38 -1.89 -2.19 115.31 115.66 3dhr h LEU 88 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3dhr h LEU 88 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3dhr h LEU 88 CO 0.03 0.14 0.02 -1.28 0.09 0.00 0.00 178.44 177.44 3dhr h SER 89 N 0.00 0.97 -0.35 -0.43 0.87 -1.23 -2.24 113.55 111.14 3dhr h SER 89 Ca -0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3dhr h SER 89 Cb 0.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3dhr h SER 89 CO 0.02 1.03 0.19 -0.33 -0.53 0.00 0.00 176.83 177.20 3dhr h GLU 90 N 0.88 0.49 -0.03 2.24 5.08 -1.27 -1.67 114.58 120.29 3dhr h GLU 90 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3dhr h GLU 90 Cb 0.52 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dhr h GLU 90 CO 0.03 0.41 -0.00 1.25 -1.00 0.00 0.00 179.01 179.70 3dhr h LEU 91 N 0.44 -0.02 -0.36 1.33 5.85 -1.38 0.96 115.31 122.13 3dhr h LEU 91 Ca 0.12 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.66 3dhr h LEU 91 Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3dhr h LEU 91 CO -0.02 -0.00 -0.82 0.45 -0.34 0.00 0.00 178.44 177.71 3dhr h HIS 92 N 0.01 0.30 0.00 1.25 3.86 -1.42 0.22 115.15 119.37 3dhr h HIS 92 Ca 0.01 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3dhr h HIS 92 Cb 0.02 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3dhr h HIS 92 CO -0.10 0.93 -0.44 0.00 0.86 0.00 0.00 177.93 179.18 3dhr h ASP 94 N -1.00 0.44 0.00 0.00 3.32 -0.98 -3.27 116.42 114.93 3dhr h ASP 94 Ca -0.05 -0.44 -0.27 0.00 0.02 0.00 0.00 57.03 56.29 3dhr h ASP 94 Cb 0.53 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3dhr h ASP 94 CO -0.03 1.31 -2.02 0.29 -1.72 0.00 0.00 179.24 177.07 3dhr n LYS 95 N -3.59 1.52 -0.06 3.56 5.02 -1.04 -4.72 118.16 118.85 3dhr n LYS 95 Ca -0.08 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.16 3dhr n LYS 95 Cb 0.97 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.54 0.00 -2.34 -0.35 4.77 0.04 -5.01 117.00 111.57 3dhr n LEU 96 Ca -0.24 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.57 3dhr n LEU 96 Cb 0.97 0.29 0.02 0.00 -2.33 0.00 0.00 43.42 42.38 3dhr n LEU 96 CO 0.32 0.29 -0.03 1.41 -1.33 0.00 0.00 177.39 178.05 3dhr n HIS 97 N -2.45 -1.44 -2.52 -1.77 8.25 -0.65 -4.98 115.22 109.65 3dhr n HIS 97 Ca -0.20 0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 3dhr n HIS 97 Cb 0.87 -3.71 -0.03 0.00 1.12 0.00 0.00 29.99 28.24 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 -3.01 4.42 0.22 1.59 1.01 -0.89 -5.01 120.40 118.72 3dhr s VAL 98 Ca 0.21 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3dhr s VAL 98 Cb -0.09 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3dhr s VAL 98 CO 0.26 -0.03 1.37 -0.62 0.00 0.00 0.00 175.10 176.07 3dhr s ASP 99 N 1.43 6.79 0.54 3.32 -1.08 -1.26 -4.80 116.67 121.61 3dhr s ASP 99 Ca 0.53 2.52 0.33 0.00 -0.52 0.00 0.00 52.55 55.41 3dhr s ASP 99 Cb -0.22 -2.61 1.50 0.00 -1.46 0.00 0.00 42.92 40.13 3dhr s ASP 99 CO 0.19 -0.61 1.85 -0.65 0.52 0.00 0.00 175.17 176.47 3dhr h PRO 100 N 5.27 0.01 -0.22 4.34 0.11 -1.97 -1.37 132.00 138.17 3dhr h PRO 100 Ca -0.45 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3dhr h PRO 100 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dhr h PRO 100 CO 0.78 0.01 0.15 1.49 -0.21 0.00 0.00 178.00 180.21 3dhr h GLU 101 N 0.01 0.23 -0.23 1.05 4.57 -1.99 -1.60 114.58 116.63 3dhr h GLU 101 Ca 0.49 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.60 3dhr h GLU 101 Cb 1.94 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 3dhr h GLU 101 CO -0.01 0.15 -0.11 -0.91 -1.18 0.00 0.00 179.01 176.95 3dhr h ASN 102 N 0.24 0.35 -0.63 1.04 2.35 -1.63 -2.16 115.58 115.15 3dhr h ASN 102 Ca 0.09 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3dhr h ASN 102 Cb 0.05 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3dhr h ASN 102 CO -0.02 0.50 0.29 -0.26 -1.65 0.00 0.00 177.43 176.29 3dhr h PHE 103 N 0.35 0.94 -0.36 1.19 0.04 -1.43 -2.26 116.94 115.41 3dhr h PHE 103 Ca 0.07 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 3dhr h PHE 103 Cb 0.41 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3dhr h PHE 103 CO 0.01 0.70 -0.29 0.00 -0.60 0.00 0.00 178.31 178.13 3dhr h ARG 104 N 0.93 0.83 -0.58 1.51 3.08 -1.39 -2.21 114.38 116.55 3dhr h ARG 104 Ca 0.23 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 3dhr h ARG 104 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3dhr h ARG 104 CO -0.03 1.05 0.15 -0.07 -1.07 0.00 0.00 179.97 180.00 3dhr h LEU 105 N 0.62 0.83 -0.72 3.04 3.38 -1.25 -0.28 115.31 120.93 3dhr h LEU 105 Ca 0.07 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3dhr h LEU 105 Cb 0.87 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3dhr h LEU 105 CO 0.08 0.81 -0.20 0.25 0.09 0.00 0.00 178.44 179.46 3dhr h LEU 106 N 0.86 0.77 0.17 1.67 5.85 -1.37 -1.17 115.31 122.09 3dhr h LEU 106 Ca 0.19 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3dhr h LEU 106 Cb 0.30 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3dhr h LEU 106 CO -0.00 0.96 -0.09 1.23 -0.34 0.00 0.00 178.44 180.20 3dhr h GLY 107 N 0.97 -0.25 0.34 3.75 0.00 -0.97 -0.63 103.07 106.28 3dhr h GLY 107 Ca 0.10 0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.63 3dhr h GLY 107 CO 0.05 -0.09 0.30 -0.55 0.00 0.00 0.00 176.54 176.25 3dhr h ASP 108 N -0.24 0.34 -0.40 0.19 3.32 -0.95 -1.59 116.42 117.09 3dhr h ASP 108 Ca -0.02 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3dhr h ASP 108 Cb 0.18 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3dhr h ASP 108 CO 0.04 0.17 0.15 0.40 -1.72 0.00 0.00 179.24 178.28 3dhr h ILE 109 N 0.50 1.20 -0.54 0.35 2.04 -1.03 -1.98 117.51 118.06 3dhr h ILE 109 Ca 0.36 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.66 3dhr h ILE 109 Cb 0.46 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3dhr h ILE 109 CO -0.32 0.23 0.20 0.25 0.00 0.00 0.00 178.15 178.51 3dhr h LEU 110 N 0.50 0.22 -0.72 1.44 5.85 -0.56 -0.76 115.31 121.28 3dhr h LEU 110 Ca 0.13 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3dhr h LEU 110 Cb 0.21 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3dhr h LEU 110 CO -0.01 0.15 0.38 0.58 -0.34 0.00 0.00 178.44 179.20 3dhr h VAL 111 N 0.39 0.90 -0.61 1.05 2.07 -1.08 -1.13 116.25 117.84 3dhr h VAL 111 Ca 0.26 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3dhr h VAL 111 Cb 0.28 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3dhr h VAL 111 CO -0.25 0.12 0.21 0.40 0.02 0.00 0.00 177.57 178.07 3dhr h ILE 112 N 0.67 1.22 -0.13 4.57 2.04 -0.50 -1.56 117.51 123.82 3dhr h ILE 112 Ca 0.34 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3dhr h ILE 112 Cb 0.30 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3dhr h ILE 112 CO -0.23 0.29 -0.03 0.40 0.00 0.00 0.00 178.15 178.58 3dhr h ILE 113 N 0.88 1.29 -0.97 -0.67 2.04 -0.44 -1.64 117.51 118.00 3dhr h ILE 113 Ca 0.20 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3dhr h ILE 113 Cb 0.22 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3dhr h ILE 113 CO -0.01 0.28 0.64 -0.07 0.00 0.00 0.00 178.15 178.98 3dhr h LEU 114 N -0.06 1.07 -0.46 1.44 3.38 -1.17 -0.52 115.31 118.99 3dhr h LEU 114 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dhr h LEU 114 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3dhr h LEU 114 CO 0.01 0.74 0.28 0.00 0.09 0.00 0.00 178.44 179.56 3dhr h ALA 115 N 1.39 0.58 -0.49 1.53 0.00 -1.17 0.34 119.26 121.45 3dhr h ALA 115 Ca 0.38 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3dhr h ALA 115 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dhr h ALA 115 CO -0.12 0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.22 3dhr h ALA 116 N 1.13 1.11 0.06 0.00 0.00 -0.86 -1.35 119.26 119.35 3dhr h ALA 116 Ca 0.16 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3dhr h ALA 116 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dhr h ALA 116 CO -0.03 0.57 -1.07 0.45 0.00 0.00 0.00 179.25 179.17 3dhr h HIS 117 N 0.75 0.31 0.00 0.00 -0.00 -0.82 -3.37 115.15 112.02 3dhr h HIS 117 Ca 0.15 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 3dhr h HIS 117 Cb 0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 3dhr h HIS 117 CO 0.02 1.12 -0.98 1.19 -0.00 0.00 0.00 177.93 179.29 3dhr n PHE 118 N -3.52 0.00 0.00 2.45 3.72 0.09 -5.05 117.46 115.14 3dhr n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3dhr n PHE 118 Cb 0.94 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 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 1.43 3.88 0.26 1.37 0.00 -0.51 -2.24 105.19 109.38 3dhr n GLY 119 Ca 0.01 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.35 3dhr n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhr h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 -1.98 116.57 115.80 3dhr h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3dhr h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dhr h LYS 120 CO 0.00 0.06 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.41 3dhr h ASP 121 N 0.00 0.00 -0.96 0.86 3.32 -1.86 -3.32 116.42 114.46 3dhr h ASP 121 Ca -0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 3dhr h ASP 121 Cb 0.57 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.01 3dhr h ASP 121 CO 0.01 0.08 2.33 0.33 -1.72 0.00 0.00 179.24 180.27 3dhr n PHE 122 N -3.22 3.64 -1.16 4.55 7.35 -0.74 -4.91 117.46 122.97 3dhr n PHE 122 Ca 0.00 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 3dhr n PHE 122 Cb 0.34 -2.27 0.14 0.00 0.35 0.00 0.00 39.48 38.04 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 1.98 2.59 0.32 -2.13 -4.23 -1.25 -4.70 115.64 108.20 3dhr s THR 123 Ca 0.44 0.19 0.05 0.00 -1.18 0.00 0.00 61.69 61.19 3dhr s THR 123 Cb 0.09 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.58 3dhr s THR 123 CO -0.02 -0.25 1.85 -0.65 -0.54 0.00 0.00 174.62 175.02 3dhr h PRO 124 N -1.61 0.83 -0.68 3.99 0.11 -1.94 0.97 132.00 133.66 3dhr h PRO 124 Ca -0.50 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3dhr h PRO 124 Cb 1.29 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3dhr h PRO 124 CO 0.54 0.55 0.16 0.93 -0.21 0.00 0.00 178.00 179.97 3dhr h GLU 125 N 0.86 1.10 -0.50 1.05 3.07 -1.99 0.05 114.58 118.22 3dhr h GLU 125 Ca 0.47 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 3dhr h GLU 125 Cb 0.59 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3dhr h GLU 125 CO -0.24 0.98 0.07 0.00 -1.40 0.00 0.00 179.01 178.42 3dhr h GLN 127 N 0.71 0.30 -0.86 0.00 4.15 -0.65 -1.61 115.11 117.15 3dhr h GLN 127 Ca 0.15 -0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.69 3dhr h GLN 127 Cb 0.42 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 27.95 3dhr h GLN 127 CO 0.01 0.20 0.47 0.00 -1.93 0.00 0.00 178.83 177.58 3dhr h ALA 128 N 1.09 1.29 -0.20 3.38 0.00 -0.82 0.13 119.26 124.14 3dhr h ALA 128 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dhr h ALA 128 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dhr h ALA 128 CO -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.19 3dhr h ALA 129 N 1.54 0.27 -0.02 0.00 0.00 -1.08 -2.72 119.26 117.25 3dhr h ALA 129 Ca 0.46 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3dhr h ALA 129 Cb 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3dhr h ALA 129 CO -0.33 -0.01 -0.62 -1.49 0.00 0.00 0.00 179.25 176.80 3dhr h TRP 130 N 0.11 0.08 -0.19 0.00 4.06 -0.59 -2.53 115.95 116.89 3dhr h TRP 130 Ca 0.06 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 3dhr h TRP 130 Cb 0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 3dhr h TRP 130 CO 0.04 0.66 -0.45 1.96 -3.56 0.00 0.00 178.44 177.09 3dhr h GLN 131 N 0.04 0.48 -0.54 0.49 4.20 -0.80 -1.73 115.11 117.26 3dhr h GLN 131 Ca -0.01 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 3dhr h GLN 131 Cb 1.10 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3dhr h GLN 131 CO 0.08 0.83 0.09 -0.22 -0.67 0.00 0.00 178.83 178.95 3dhr h LYS 132 N 0.39 0.88 -0.11 1.46 3.64 -1.35 -2.63 116.57 118.86 3dhr h LYS 132 Ca 0.03 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3dhr h LYS 132 Cb 0.94 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3dhr h LYS 132 CO 0.08 0.86 0.05 1.25 -2.27 0.00 0.00 179.45 179.42 3dhr h LEU 133 N 0.77 0.14 -1.40 5.20 5.85 -1.29 -0.98 115.31 123.60 3dhr h LEU 133 Ca 0.16 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3dhr h LEU 133 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3dhr h LEU 133 CO 0.01 0.23 0.25 -0.37 -0.34 0.00 0.00 178.44 178.22 3dhr h VAL 134 N 0.04 1.15 -0.22 1.05 -1.51 -1.33 -0.87 116.25 114.57 3dhr h VAL 134 Ca 0.04 -0.40 -0.20 0.00 -1.23 0.00 0.00 66.70 64.90 3dhr h VAL 134 Cb 0.13 0.53 0.01 0.00 -2.13 0.00 0.00 31.29 29.82 3dhr h VAL 134 CO -0.00 0.17 -0.65 0.03 -1.23 0.00 0.00 177.57 175.88 3dhr h ARG 135 N 0.66 0.83 -0.61 5.19 3.08 -1.27 -0.25 114.38 122.01 3dhr h ARG 135 Ca 0.17 -0.60 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3dhr h ARG 135 Cb 0.04 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3dhr h ARG 135 CO -0.03 1.22 0.29 0.28 -1.07 0.00 0.00 179.97 180.66 3dhr h VAL 136 N 0.60 1.22 -0.57 2.04 2.07 -0.92 -1.42 116.25 119.27 3dhr h VAL 136 Ca -0.02 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3dhr h VAL 136 Cb 1.28 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3dhr h VAL 136 CO 0.14 0.25 0.22 0.58 0.02 0.00 0.00 177.57 178.78 3dhr h VAL 137 N 0.84 1.22 -0.75 2.57 2.07 -1.11 -1.73 116.25 119.36 3dhr h VAL 137 Ca 0.21 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3dhr h VAL 137 Cb 0.13 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3dhr h VAL 137 CO -0.03 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.31 3dhr h ALA 138 N 1.07 0.96 0.00 1.67 0.00 -0.81 -1.87 119.26 120.28 3dhr h ALA 138 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3dhr h ALA 138 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dhr h ALA 138 CO -0.01 0.40 -0.43 0.45 0.00 0.00 0.00 179.25 179.66 3dhr h HIS 139 N 1.02 0.00 -0.16 0.00 3.86 -1.14 -2.44 115.15 116.29 3dhr h HIS 139 Ca 0.27 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.33 3dhr h HIS 139 Cb -0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 3dhr h HIS 139 CO -0.01 0.43 -0.55 0.00 0.86 0.00 0.00 177.93 178.66 3dhr h ALA 140 N 1.57 0.74 0.00 2.45 0.00 -0.90 -2.72 119.26 120.40 3dhr h ALA 140 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3dhr h ALA 140 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3dhr h ALA 140 CO 0.06 0.69 -0.53 -0.07 0.00 0.00 0.00 179.25 179.40 3dhr h LEU 141 N 0.38 0.00 -0.59 0.00 3.38 -1.20 -3.13 115.31 114.14 3dhr h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dhr h LEU 141 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3dhr h LEU 141 CO 0.10 0.53 -0.13 0.00 0.09 0.00 0.00 178.44 179.03 3dhr n ALA 142 N -2.27 2.83 -0.25 1.53 0.00 -0.93 -4.46 120.51 116.96 3dhr n ALA 142 Ca 0.01 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.17 3dhr n ALA 142 Cb 0.69 -1.20 0.37 0.00 0.00 0.00 0.00 19.45 19.31 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 1.45 0.69 -0.46 0.00 2.43 -1.42 -0.50 114.38 116.57 3dhr h ARG 143 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dhr h ARG 143 Cb 0.46 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3dhr h ARG 143 CO 0.00 0.46 0.00 1.63 -1.51 0.00 0.00 179.97 180.55 3dhr n LYS 144 N -4.54 1.65 0.00 0.20 5.02 -1.26 -2.23 118.16 116.99 3dhr n LYS 144 Ca 0.16 -0.72 0.11 0.00 -2.02 0.00 0.00 58.31 55.84 3dhr n LYS 144 Cb 0.42 -1.36 0.13 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.09 0.00 -0.67 2.13 4.01 -0.19 -4.89 117.16 117.64 3dhr n TYR 145 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3dhr n TYR 145 Cb 0.29 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3dhr n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12