#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aep h ILE 7 N 0.00 1.20 -0.67 -1.44 2.04 -1.97 -1.54 117.51 115.13 1aep h ILE 7 Ca 0.00 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.54 1aep h ILE 7 Cb 0.00 0.29 -0.13 0.00 -0.74 0.00 0.00 36.82 36.25 1aep h ILE 7 CO 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 178.15 178.14 1aep h ALA 8 N 1.20 0.34 0.78 1.87 0.00 -1.98 0.44 119.26 121.91 1aep h ALA 8 Ca 0.24 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1aep h ALA 8 Cb -0.01 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1aep h ALA 8 CO -0.04 -0.48 -0.49 1.49 0.00 0.00 0.00 179.25 179.73 1aep h GLU 9 N -0.04 -1.15 -0.78 0.00 4.81 -1.78 0.24 114.58 115.88 1aep h GLU 9 Ca 0.31 0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.77 1aep h GLU 9 Cb 0.52 0.26 -0.15 0.00 0.63 0.00 0.00 28.75 30.01 1aep h GLU 9 CO -0.71 -0.76 -0.25 0.00 -0.73 0.00 0.00 179.01 176.56 1aep h ALA 10 N -1.18 0.37 0.00 2.92 0.00 -0.28 0.47 119.26 121.56 1aep h ALA 10 Ca -0.10 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1aep h ALA 10 Cb 0.96 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1aep h ALA 10 CO 0.10 -0.49 -0.14 0.28 0.00 0.00 0.00 179.25 179.00 1aep h VAL 11 N -0.03 0.99 -0.05 0.00 2.07 0.06 -0.30 116.25 118.99 1aep h VAL 11 Ca 0.35 -0.51 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 1aep h VAL 11 Cb 0.58 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1aep h VAL 11 CO -0.82 0.14 -0.86 1.56 0.02 0.00 0.00 177.57 177.61 1aep h GLN 12 N 0.00 0.49 -0.08 1.57 4.20 0.20 -2.59 115.11 118.91 1aep h GLN 12 Ca -0.00 -0.47 -0.13 0.00 0.06 0.00 0.00 58.65 58.11 1aep h GLN 12 Cb 0.27 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1aep h GLN 12 CO 0.02 1.11 -0.53 1.96 -0.67 0.00 0.00 178.83 180.72 1aep h GLN 13 N 0.31 0.22 -0.21 1.46 4.20 -0.28 -2.66 115.11 118.15 1aep h GLN 13 Ca -0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1aep h GLN 13 Cb 1.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1aep h GLN 13 CO 0.15 0.70 0.10 1.25 -0.67 0.00 0.00 178.83 180.36 1aep h LEU 14 N 0.18 0.28 -0.18 1.46 6.46 -0.97 -2.38 115.31 120.16 1aep h LEU 14 Ca 0.00 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1aep h LEU 14 Cb 0.99 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.81 1aep h LEU 14 CO 0.08 0.34 -0.02 -1.13 -0.62 0.00 0.00 178.44 177.09 1aep h ASN 15 N 0.21 -0.12 -0.21 1.25 -0.73 -1.32 0.31 115.58 114.96 1aep h ASN 15 Ca 0.07 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.31 1aep h ASN 15 Cb 0.14 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1aep h ASN 15 CO -0.01 -0.04 0.09 -0.74 -0.37 0.00 0.00 177.43 176.36 1aep h HIS 16 N 0.03 0.16 0.08 0.67 2.76 -1.44 0.14 115.15 117.55 1aep h HIS 16 Ca 0.09 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1aep h HIS 16 Cb 0.12 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1aep h HIS 16 CO -0.19 0.09 -0.41 1.15 -1.30 0.00 0.00 177.93 177.27 1aep h THR 17 N 0.20 0.00 -0.61 6.26 2.02 -0.84 -2.38 112.91 117.56 1aep h THR 17 Ca 0.09 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.39 1aep h THR 17 Cb 0.04 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.35 1aep h THR 17 CO -0.08 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.23 1aep h ILE 18 N -0.57 0.52 -0.46 3.11 2.04 -0.11 -1.98 117.51 120.06 1aep h ILE 18 Ca -0.00 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1aep h ILE 18 Cb 0.58 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1aep h ILE 18 CO -0.23 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.51 1aep h VAL 19 N 0.14 0.63 0.46 1.67 2.07 -0.25 -0.95 116.25 120.02 1aep h VAL 19 Ca 0.32 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1aep h VAL 19 Cb 0.51 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1aep h VAL 19 CO -0.50 0.02 -0.22 0.78 0.02 0.00 0.00 177.57 177.66 1aep h ASN 20 N 0.10 -0.53 -0.81 0.57 2.35 -0.95 -2.35 115.58 113.97 1aep h ASN 20 Ca 0.23 -0.02 0.18 0.00 -0.55 0.00 0.00 56.30 56.14 1aep h ASN 20 Cb 0.34 0.14 -0.15 0.00 0.05 0.00 0.00 38.32 38.70 1aep h ASN 20 CO -0.39 -0.32 -0.10 0.00 -1.65 0.00 0.00 177.43 174.97 1aep h ALA 21 N -0.19 0.70 -0.82 -0.83 0.00 -1.13 0.38 119.26 117.37 1aep h ALA 21 Ca -0.06 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1aep h ALA 21 Cb 0.52 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1aep h ALA 21 CO 0.10 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 179.33 1aep h ALA 22 N 1.79 1.17 -0.45 0.00 0.00 -1.06 -2.62 119.26 118.09 1aep h ALA 22 Ca 0.42 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1aep h ALA 22 Cb 0.71 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1aep h ALA 22 CO -0.78 0.64 0.06 1.25 0.00 0.00 0.00 179.25 180.42 1aep h HIS 23 N 1.16 0.09 0.00 0.00 6.17 0.28 -2.16 115.15 120.69 1aep h HIS 23 Ca 0.28 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.37 1aep h HIS 23 Cb 0.10 0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.05 1aep h HIS 23 CO 0.01 -0.03 -0.11 0.93 0.71 0.00 0.00 177.93 179.44 1aep h GLU 24 N 0.18 0.00 -1.00 5.26 5.08 -1.09 -2.94 114.58 120.07 1aep h GLU 24 Ca 0.22 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.82 1aep h GLU 24 Cb 0.30 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 1aep h GLU 24 CO -0.32 0.11 0.59 -0.07 -1.00 0.00 0.00 179.01 178.32 1aep h LEU 25 N 0.00 0.70 -2.18 1.33 4.07 -1.03 0.20 115.31 118.39 1aep h LEU 25 Ca -0.00 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1aep h LEU 25 Cb 0.21 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1aep h LEU 25 CO 0.01 0.14 0.00 0.45 -1.08 0.00 0.00 178.44 177.97 1aep h HIS 26 N 0.62 0.00 -0.11 1.13 3.86 -1.65 -1.63 115.15 117.38 1aep h HIS 26 Ca 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 1aep h HIS 26 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1aep h HIS 26 CO -0.01 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.17 1aep n GLU 27 N -2.85 1.67 0.21 2.45 1.02 0.70 -3.27 120.64 120.58 1aep n GLU 27 Ca -0.02 -1.00 0.14 0.00 -0.02 0.00 0.00 57.16 56.27 1aep n GLU 27 Cb 0.12 -1.42 0.48 0.00 -0.02 0.00 0.00 31.44 30.61 1aep n GLU 27 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1aep h THR 28 N 2.15 0.00 0.00 2.62 1.35 -1.37 -2.90 112.91 114.76 1aep h THR 28 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1aep h THR 28 Cb 0.47 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1aep h THR 28 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 1aep n LEU 29 N -2.82 0.62 -0.59 3.87 4.32 -1.20 -2.84 117.00 118.36 1aep n LEU 29 Ca 0.02 0.62 0.12 0.00 -0.02 0.00 0.00 56.01 56.75 1aep n LEU 29 Cb 0.36 -0.49 0.40 0.00 -1.62 0.00 0.00 43.42 42.08 1aep n LEU 29 CO 0.28 -0.39 0.80 0.61 -1.22 0.00 0.00 177.39 177.47 1aep n GLY 30 N 0.48 0.31 3.77 -0.72 0.00 -1.10 -4.93 105.19 103.00 1aep n GLY 30 Ca 0.04 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1aep n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aep s LEU 31 N -1.74 3.35 0.10 0.99 1.02 -1.13 -4.97 118.68 116.31 1aep s LEU 31 Ca 0.35 1.97 -0.23 0.00 0.02 0.00 0.00 54.13 56.23 1aep s LEU 31 Cb 0.19 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.79 1aep s LEU 31 CO 0.29 -1.66 1.39 -0.65 0.02 0.00 0.00 176.35 175.75 1aep h PRO 32 N -0.10 -0.17 -6.27 1.29 0.11 -1.91 -3.42 132.00 121.53 1aep h PRO 32 Ca -0.46 0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1aep h PRO 32 Cb 1.24 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 1aep h PRO 32 CO 0.54 -0.11 -0.64 0.99 -0.21 0.00 0.00 178.00 178.57 1aep s THR 33 N -4.86 3.67 -1.70 -1.15 2.01 -1.26 -4.98 115.64 107.36 1aep s THR 33 Ca -0.10 -1.64 0.28 0.00 0.31 0.00 0.00 61.69 60.54 1aep s THR 33 Cb 0.07 -2.91 0.64 0.00 0.01 0.00 0.00 72.50 70.31 1aep s THR 33 CO 0.44 -0.25 2.00 -0.81 -0.69 0.00 0.00 174.62 175.31 1aep n PRO 34 N -0.58 0.63 -0.12 4.92 -0.04 -1.26 -3.15 135.00 135.40 1aep n PRO 34 Ca -0.08 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 1aep n PRO 34 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1aep n PRO 34 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1aep n ASP 35 N -1.15 1.90 -0.12 3.54 2.03 -1.26 -3.64 116.55 117.85 1aep n ASP 35 Ca 0.17 0.38 -0.05 0.00 0.52 0.00 0.00 54.79 55.81 1aep n ASP 35 Cb 0.16 -0.90 0.01 0.00 -0.72 0.00 0.00 41.12 39.67 1aep n ASP 35 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1aep h GLU 36 N -0.98 -0.08 -0.41 -0.67 4.81 -1.96 -1.16 114.58 114.13 1aep h GLU 36 Ca -0.49 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1aep h GLU 36 Cb 1.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1aep h GLU 36 CO -0.29 -0.06 0.24 0.00 -0.73 0.00 0.00 179.01 178.18 1aep h ALA 37 N 1.24 0.53 -0.87 2.92 0.00 -1.76 -0.76 119.26 120.56 1aep h ALA 37 Ca 0.20 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1aep h ALA 37 Cb 0.39 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1aep h ALA 37 CO -0.47 0.03 0.56 1.25 0.00 0.00 0.00 179.25 180.62 1aep h LEU 38 N 0.54 0.79 -0.18 0.00 5.85 -1.37 0.17 115.31 121.11 1aep h LEU 38 Ca 0.15 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.66 1aep h LEU 38 Cb 0.01 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.90 1aep h LEU 38 CO -0.03 0.47 -0.83 0.78 -0.34 0.00 0.00 178.44 178.49 1aep h ASN 39 N 0.87 0.81 0.71 1.25 2.35 -0.95 -1.62 115.58 119.01 1aep h ASN 39 Ca 0.39 -0.56 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1aep h ASN 39 Cb 0.37 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1aep h ASN 39 CO -0.16 1.35 -0.37 0.25 -1.65 0.00 0.00 177.43 176.86 1aep h LEU 40 N 0.43 -0.88 -0.23 1.61 5.85 -0.03 -1.88 115.31 120.18 1aep h LEU 40 Ca -0.06 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1aep h LEU 40 Cb 1.46 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1aep h LEU 40 CO 0.16 -0.60 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.39 1aep h LEU 41 N -0.98 -0.62 -1.00 2.25 4.07 -0.74 -0.15 115.31 118.12 1aep h LEU 41 Ca -0.09 0.12 0.13 0.00 0.08 0.00 0.00 57.88 58.11 1aep h LEU 41 Cb 0.77 0.31 -0.09 0.00 1.08 0.00 0.00 40.66 42.73 1aep h LEU 41 CO 0.14 -0.23 0.63 0.74 -1.08 0.00 0.00 178.44 178.64 1aep h THR 42 N -0.20 0.90 0.57 0.22 2.02 -1.20 0.43 112.91 115.65 1aep h THR 42 Ca 0.13 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1aep h THR 42 Cb 0.40 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1aep h THR 42 CO -0.35 0.18 -0.27 -0.08 0.37 0.00 0.00 175.52 175.37 1aep h GLU 43 N 0.98 -0.73 -0.52 6.66 4.81 -0.50 -1.13 114.58 124.15 1aep h GLU 43 Ca 0.50 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.85 1aep h GLU 43 Cb 0.52 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1aep h GLU 43 CO -0.27 -0.45 0.21 1.96 -0.73 0.00 0.00 179.01 179.73 1aep h GLN 44 N -0.87 0.39 -0.95 1.92 1.08 -0.15 0.71 115.11 117.24 1aep h GLN 44 Ca -0.08 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.18 1aep h GLN 44 Cb 0.63 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1aep h GLN 44 CO 0.13 0.26 0.61 0.00 -0.95 0.00 0.00 178.83 178.88 1aep h ALA 45 N 1.33 1.51 -0.19 3.87 0.00 -0.09 -0.97 119.26 124.73 1aep h ALA 45 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1aep h ALA 45 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1aep h ALA 45 CO -0.23 0.32 -0.46 -0.91 0.00 0.00 0.00 179.25 177.97 1aep h ASN 46 N 1.03 0.51 -0.64 0.00 2.35 0.29 -0.38 115.58 118.75 1aep h ASN 46 Ca 0.42 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1aep h ASN 46 Cb 0.28 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1aep h ASN 46 CO -0.18 0.90 0.18 0.00 -1.65 0.00 0.00 177.43 176.68 1aep h ALA 47 N 1.12 0.83 0.46 -0.83 0.00 0.25 -1.72 119.26 119.38 1aep h ALA 47 Ca 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1aep h ALA 47 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1aep h ALA 47 CO 0.08 0.52 -0.22 0.35 0.00 0.00 0.00 179.25 179.99 1aep h PHE 48 N 0.92 -0.58 -0.89 0.00 3.57 -1.07 -2.43 116.94 116.47 1aep h PHE 48 Ca 0.20 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.92 1aep h PHE 48 Cb 0.32 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 39.12 1aep h PHE 48 CO 0.02 -0.27 0.35 -0.22 -2.23 0.00 0.00 178.31 175.97 1aep h LYS 49 N -0.84 0.32 -0.46 1.11 3.64 -1.03 0.15 116.57 119.46 1aep h LYS 49 Ca -0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1aep h LYS 49 Cb 0.57 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1aep h LYS 49 CO 0.10 0.21 0.27 1.15 -2.27 0.00 0.00 179.45 178.92 1aep h THR 50 N 0.33 1.04 -0.06 1.00 2.02 -1.07 -1.27 112.91 114.91 1aep h THR 50 Ca 0.56 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.54 1aep h THR 50 Cb 1.10 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1aep h THR 50 CO -0.57 0.10 -0.03 0.11 0.37 0.00 0.00 175.52 175.50 1aep h LYS 51 N 0.54 0.12 -0.67 6.66 1.79 -0.33 -2.85 116.57 121.84 1aep h LYS 51 Ca 0.18 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1aep h LYS 51 Cb 0.02 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1aep h LYS 51 CO -0.09 0.50 0.44 0.82 -1.08 0.00 0.00 179.45 180.04 1aep h ILE 52 N -0.26 1.03 0.00 1.86 1.08 -0.84 0.11 117.51 120.49 1aep h ILE 52 Ca 0.01 -0.24 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1aep h ILE 52 Cb 0.46 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1aep h ILE 52 CO 0.01 0.13 -0.36 0.00 -0.69 0.00 0.00 178.15 177.24 1aep h ALA 53 N 1.63 1.13 -0.23 1.87 0.00 -1.25 -1.93 119.26 120.49 1aep h ALA 53 Ca 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1aep h ALA 53 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1aep h ALA 53 CO -0.09 0.45 0.07 1.49 0.00 0.00 0.00 179.25 181.18 1aep h GLU 54 N 0.00 0.35 0.38 0.00 4.81 -0.54 -2.22 114.58 117.36 1aep h GLU 54 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1aep h GLU 54 Cb 0.78 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1aep h GLU 54 CO 0.05 0.43 -0.25 0.28 -0.73 0.00 0.00 179.01 178.79 1aep h VAL 55 N 0.20 0.49 -0.89 0.32 2.07 -1.35 -1.26 116.25 115.82 1aep h VAL 55 Ca 0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.83 1aep h VAL 55 Cb 0.22 0.49 -0.14 0.00 -1.52 0.00 0.00 31.29 30.34 1aep h VAL 55 CO -0.00 0.00 0.31 0.74 0.02 0.00 0.00 177.57 178.63 1aep h THR 56 N -0.61 0.36 -0.30 2.57 2.02 -1.28 0.12 112.91 115.80 1aep h THR 56 Ca -0.04 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 1aep h THR 56 Cb 0.51 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1aep h THR 56 CO 0.03 0.05 -0.43 0.74 0.37 0.00 0.00 175.52 176.29 1aep h THR 57 N 0.27 1.29 0.00 3.16 2.02 -0.98 -1.32 112.91 117.36 1aep h THR 57 Ca 0.57 -1.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.04 1aep h THR 57 Cb 1.13 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1aep h THR 57 CO -0.61 0.52 -0.44 0.77 0.37 0.00 0.00 175.52 176.13 1aep h SER 58 N 0.60 0.00 0.85 4.18 4.64 0.30 -2.79 113.55 121.33 1aep h SER 58 Ca 0.04 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.13 1aep h SER 58 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1aep h SER 58 CO 0.09 0.44 -1.09 -0.07 -0.87 0.00 0.00 176.83 175.34 1aep h LEU 59 N 0.00 0.17 -1.07 5.97 4.07 -0.82 -2.65 115.31 120.98 1aep h LEU 59 Ca -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1aep h LEU 59 Cb 1.13 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.78 1aep h LEU 59 CO 0.06 1.13 0.48 0.11 -1.08 0.00 0.00 178.44 179.14 1aep h LYS 60 N 0.03 1.12 -0.70 1.13 1.57 -1.11 -1.63 116.57 116.99 1aep h LYS 60 Ca -0.06 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1aep h LYS 60 Cb 1.84 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.89 1aep h LYS 60 CO 0.16 0.80 0.15 0.37 -0.57 0.00 0.00 179.45 180.35 1aep h GLN 61 N 1.14 1.13 -0.27 3.15 4.15 -1.40 -2.72 115.11 120.29 1aep h GLN 61 Ca 0.29 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1aep h GLN 61 Cb -0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1aep h GLN 61 CO -0.05 1.01 0.10 1.49 -1.93 0.00 0.00 178.83 179.45 1aep h GLU 62 N 1.07 0.41 -0.80 1.69 4.57 -1.10 -2.60 114.58 117.83 1aep h GLU 62 Ca 0.22 -0.08 0.19 0.00 -1.18 0.00 0.00 59.36 58.50 1aep h GLU 62 Cb 0.40 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1aep h GLU 62 CO 0.01 0.46 0.54 0.00 -1.18 0.00 0.00 179.01 178.84 1aep h ALA 63 N 0.94 2.35 0.00 2.92 0.00 -1.00 0.50 119.26 124.96 1aep h ALA 63 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1aep h ALA 63 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1aep h ALA 63 CO -0.01 -0.58 0.00 0.93 0.00 0.00 0.00 179.25 179.59 1aep h GLU 64 N 0.27 0.00 0.00 0.00 4.39 -1.25 -2.48 114.58 115.50 1aep h GLU 64 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1aep h GLU 64 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1aep h GLU 64 CO -0.10 0.00 -0.86 1.63 -1.16 0.00 0.00 179.01 178.52 1aep n LYS 65 N -3.01 0.20 -3.67 2.33 5.02 0.17 -4.96 118.16 114.25 1aep n LYS 65 Ca -0.02 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1aep n LYS 65 Cb 0.14 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1aep n LYS 65 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1aep s HIS 66 N -3.13 2.71 0.36 2.13 3.76 -0.94 -5.14 115.29 115.04 1aep s HIS 66 Ca 0.06 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1aep s HIS 66 Cb 0.15 -2.11 -0.07 0.00 1.11 0.00 0.00 32.58 31.66 1aep s HIS 66 CO 0.78 -0.05 -0.05 -0.65 -0.85 0.00 0.00 174.74 173.92 1aep s GLN 67 N -4.08 1.91 1.39 1.40 1.11 -1.26 -4.77 119.66 115.35 1aep s GLN 67 Ca 0.47 -1.93 0.00 0.00 0.01 0.00 0.00 55.36 53.90 1aep s GLN 67 Cb -0.02 -1.74 0.00 0.00 -1.01 0.00 0.00 33.01 30.23 1aep s GLN 67 CO 0.27 0.10 0.00 0.41 0.01 0.00 0.00 175.29 176.08 1aep n GLY 68 N -0.87 -1.42 0.08 3.09 0.00 -1.26 -4.24 105.19 100.56 1aep n GLY 68 Ca -0.05 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1aep n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aep n SER 69 N 0.11 0.72 -0.05 1.61 3.41 -1.26 -3.38 113.62 114.78 1aep n SER 69 Ca 0.00 0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1aep n SER 69 Cb 0.00 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1aep n SER 69 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1aep h VAL 70 N 0.00 1.26 -0.68 -3.33 2.07 -1.93 0.19 116.25 113.82 1aep h VAL 70 Ca 0.00 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1aep h VAL 70 Cb 0.73 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1aep h VAL 70 CO 0.00 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.26 1aep h ALA 71 N 0.75 0.87 0.83 1.67 0.00 -1.74 0.91 119.26 122.55 1aep h ALA 71 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1aep h ALA 71 Cb 0.39 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1aep h ALA 71 CO 0.01 0.33 -0.40 0.93 0.00 0.00 0.00 179.25 180.12 1aep h GLU 72 N 0.93 -1.08 -0.02 0.00 5.08 -1.53 -1.62 114.58 116.34 1aep h GLU 72 Ca 0.25 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1aep h GLU 72 Cb -0.05 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1aep h GLU 72 CO -0.05 -0.72 -0.05 1.96 -1.00 0.00 0.00 179.01 179.16 1aep h GLN 73 N -1.13 0.02 -0.08 2.33 4.20 -0.27 0.34 115.11 120.51 1aep h GLN 73 Ca -0.11 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1aep h GLN 73 Cb 0.86 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1aep h GLN 73 CO 0.19 0.07 -0.08 1.25 -0.67 0.00 0.00 178.83 179.59 1aep h LEU 74 N 0.02 0.21 -0.73 1.46 5.85 1.00 -1.76 115.31 121.37 1aep h LEU 74 Ca 0.01 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1aep h LEU 74 Cb 0.10 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1aep h LEU 74 CO 0.01 0.65 0.48 -1.13 -0.34 0.00 0.00 178.44 178.11 1aep h ASN 75 N -0.22 0.82 0.17 1.25 -0.73 -0.82 -2.00 115.58 114.04 1aep h ASN 75 Ca 0.01 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.18 1aep h ASN 75 Cb 0.59 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1aep h ASN 75 CO 0.02 0.59 -0.23 0.00 -0.37 0.00 0.00 177.43 177.44 1aep h ALA 76 N 1.28 -0.43 -0.49 1.57 0.00 -0.88 -1.44 119.26 118.87 1aep h ALA 76 Ca 0.27 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1aep h ALA 76 Cb -0.09 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1aep h ALA 76 CO -0.07 -0.78 -0.05 0.35 0.00 0.00 0.00 179.25 178.71 1aep h PHE 77 N -0.46 -0.13 0.02 0.00 3.57 -0.95 -0.21 116.94 118.79 1aep h PHE 77 Ca 0.01 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1aep h PHE 77 Cb 0.45 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1aep h PHE 77 CO -0.19 -0.16 -0.20 0.00 -2.23 0.00 0.00 178.31 175.54 1aep h ALA 78 N 1.46 -0.26 -0.65 2.41 0.00 -1.09 -0.01 119.26 121.12 1aep h ALA 78 Ca 0.24 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1aep h ALA 78 Cb 0.37 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1aep h ALA 78 CO -0.45 -0.70 0.11 0.00 0.00 0.00 0.00 179.25 178.21 1aep h ARG 79 N -0.33 0.22 -0.36 0.00 3.08 -0.12 -1.37 114.38 115.50 1aep h ARG 79 Ca 0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1aep h ARG 79 Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1aep h ARG 79 CO -0.17 0.14 0.21 -0.91 -1.07 0.00 0.00 179.97 178.17 1aep h ASN 80 N 0.22 0.44 -0.84 7.04 2.35 -0.60 -1.53 115.58 122.66 1aep h ASN 80 Ca 0.35 -0.07 0.12 0.00 -0.55 0.00 0.00 56.30 56.15 1aep h ASN 80 Cb 0.57 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.74 1aep h ASN 80 CO -0.48 0.39 0.46 -0.07 -1.65 0.00 0.00 177.43 176.08 1aep h LEU 81 N 0.46 0.60 -1.34 1.61 3.38 0.04 0.86 115.31 120.93 1aep h LEU 81 Ca 0.13 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1aep h LEU 81 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1aep h LEU 81 CO -0.02 0.30 0.09 -1.13 0.09 0.00 0.00 178.44 177.77 1aep h ASN 82 N 0.71 0.49 0.81 -0.43 -1.24 -0.77 -2.71 115.58 112.43 1aep h ASN 82 Ca 0.43 -0.07 -0.12 0.00 0.71 0.00 0.00 56.30 57.26 1aep h ASN 82 Cb 0.52 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1aep h ASN 82 CO -0.31 0.50 -0.58 0.78 -1.29 0.00 0.00 177.43 176.53 1aep h ASN 83 N 0.53 0.00 0.50 1.15 -0.26 0.14 -2.49 115.58 115.15 1aep h ASN 83 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1aep h ASN 83 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1aep h ASN 83 CO -0.00 0.58 -0.03 -1.54 -1.06 0.00 0.00 177.43 175.38 1aep n SER 84 N -3.61 0.12 -0.04 5.81 3.41 -0.75 -4.18 113.62 114.38 1aep n SER 84 Ca -0.00 -0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.29 1aep n SER 84 Cb 0.63 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1aep n SER 84 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1aep n ILE 85 N -1.20 0.44 -0.16 -1.33 -6.64 -1.14 -4.53 119.36 104.80 1aep n ILE 85 Ca 0.14 -0.20 -0.00 0.00 -1.77 0.00 0.00 62.75 60.92 1aep n ILE 85 Cb 0.25 -0.80 0.02 0.00 -1.44 0.00 0.00 39.64 37.67 1aep n ILE 85 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1aep n HIS 86 N -2.55 0.02 -3.28 4.28 -0.00 -0.95 -1.90 115.22 110.85 1aep n HIS 86 Ca -0.13 0.53 -0.40 0.00 0.46 0.00 0.00 57.72 58.18 1aep n HIS 86 Cb 0.67 -0.66 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1aep n HIS 86 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1aep n ASP 87 N -4.63 5.37 0.00 0.26 8.00 -1.26 -4.65 116.55 119.64 1aep n ASP 87 Ca 0.04 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1aep n ASP 87 Cb 0.17 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1aep n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aep n ALA 88 N 1.76 1.39 -1.63 2.24 0.00 -0.80 -4.70 120.51 118.78 1aep n ALA 88 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.75 1aep n ALA 88 Cb 0.36 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.02 1aep n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aep n ALA 89 N -0.81 3.60 -0.03 0.00 0.00 -1.26 -4.27 120.51 117.73 1aep n ALA 89 Ca 0.00 -3.26 -0.22 0.00 0.00 0.00 0.00 53.44 49.96 1aep n ALA 89 Cb 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 1aep n ALA 89 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aep h THR 90 N 1.22 0.85 -1.45 0.00 1.35 -1.91 -3.49 112.91 109.48 1aep h THR 90 Ca -0.01 -2.30 -0.64 0.00 -0.55 0.00 0.00 66.41 62.91 1aep h THR 90 Cb 1.03 2.47 0.14 0.00 -1.73 0.00 0.00 68.15 70.06 1aep h THR 90 CO 0.00 0.63 -0.71 -1.20 -0.25 0.00 0.00 175.52 174.00 1aep n SER 91 N -3.96 -1.94 -0.43 5.36 7.64 -1.26 -4.87 113.62 114.16 1aep n SER 91 Ca -0.30 0.96 0.13 0.00 1.01 0.00 0.00 58.87 60.68 1aep n SER 91 Cb 0.87 -0.94 0.42 0.00 -1.01 0.00 0.00 64.21 63.55 1aep n SER 91 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1aep n LEU 92 N 2.09 1.45 -4.05 -3.43 7.99 -1.26 -4.77 117.00 115.02 1aep n LEU 92 Ca 0.14 -0.46 -0.10 0.00 -0.01 0.00 0.00 56.01 55.58 1aep n LEU 92 Cb 0.33 -0.04 -0.11 0.00 -0.11 0.00 0.00 43.42 43.49 1aep n LEU 92 CO 0.55 0.25 -0.38 0.54 -1.51 0.00 0.00 177.39 176.85 1aep s ASN 93 N -2.20 0.62 0.22 -1.43 2.20 -1.26 -5.05 114.94 108.04 1aep s ASN 93 Ca 0.32 -0.65 -0.16 0.00 -0.94 0.00 0.00 52.86 51.43 1aep s ASN 93 Cb 0.20 0.09 0.24 0.00 -2.00 0.00 0.00 41.25 39.78 1aep s ASN 93 CO 0.41 -0.33 1.58 0.25 -2.94 0.00 0.00 177.10 176.08 1aep h LEU 94 N 4.18 -1.05 0.01 3.54 5.85 -1.91 -1.32 115.31 124.62 1aep h LEU 94 Ca -0.34 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1aep h LEU 94 Cb 1.19 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 1aep h LEU 94 CO 0.47 -0.29 -0.52 -0.61 -0.34 0.00 0.00 178.44 177.16 1aep h GLN 95 N -0.06 -0.63 -0.44 1.25 4.15 -1.97 0.26 115.11 117.66 1aep h GLN 95 Ca 0.32 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.76 1aep h GLN 95 Cb 0.58 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1aep h GLN 95 CO -0.81 -0.42 0.16 -0.44 -1.93 0.00 0.00 178.83 175.38 1aep h ASP 96 N -0.66 0.58 -0.81 -0.69 3.32 -1.90 -1.48 116.42 114.77 1aep h ASP 96 Ca 0.01 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1aep h ASP 96 Cb 0.70 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1aep h ASP 96 CO -0.34 0.54 0.53 -0.61 -1.72 0.00 0.00 179.24 177.64 1aep h GLN 97 N 0.63 1.03 -0.21 3.56 5.75 -0.67 0.22 115.11 125.42 1aep h GLN 97 Ca 0.15 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.48 1aep h GLN 97 Cb 0.15 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 1aep h GLN 97 CO -0.01 0.68 -0.30 1.25 -2.65 0.00 0.00 178.83 177.80 1aep h LEU 98 N 1.06 0.62 -0.17 -2.39 6.46 -0.37 -1.89 115.31 118.63 1aep h LEU 98 Ca 0.31 -0.52 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1aep h LEU 98 Cb -0.07 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 1aep h LEU 98 CO -0.09 1.01 0.08 0.78 -0.62 0.00 0.00 178.44 179.61 1aep h ASN 99 N 0.24 0.22 -0.36 1.25 -0.26 -0.94 -1.77 115.58 113.97 1aep h ASN 99 Ca 0.02 -0.12 0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1aep h ASN 99 Cb 0.88 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 38.02 1aep h ASN 99 CO 0.07 0.28 0.00 -1.28 -1.06 0.00 0.00 177.43 175.44 1aep h SER 100 N 0.15 -0.14 0.25 5.81 0.87 -0.58 -1.54 113.55 118.38 1aep h SER 100 Ca 0.06 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1aep h SER 100 Cb 0.11 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1aep h SER 100 CO -0.01 -0.04 -0.12 0.25 -0.53 0.00 0.00 176.83 176.38 1aep h LEU 101 N 0.10 -0.29 -1.75 2.23 6.46 -1.26 -0.62 115.31 120.18 1aep h LEU 101 Ca 0.17 -0.09 0.23 0.00 -0.12 0.00 0.00 57.88 58.08 1aep h LEU 101 Cb 0.24 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1aep h LEU 101 CO -0.29 -0.09 0.62 -0.61 -0.62 0.00 0.00 178.44 177.45 1aep h GLN 102 N -0.48 0.19 0.02 1.25 4.15 -1.08 0.15 115.11 119.32 1aep h GLN 102 Ca -0.03 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1aep h GLN 102 Cb 0.36 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1aep h GLN 102 CO 0.06 0.13 -0.18 0.66 -1.93 0.00 0.00 178.83 177.57 1aep h SER 103 N 0.20 0.07 -0.66 -0.69 4.64 -1.13 -2.73 113.55 113.24 1aep h SER 103 Ca 0.45 -0.97 0.14 0.00 -0.47 0.00 0.00 61.79 60.94 1aep h SER 103 Cb 1.45 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.41 1aep h SER 103 CO -0.10 1.08 0.08 0.00 -0.87 0.00 0.00 176.83 177.02 1aep h ALA 104 N -0.01 0.74 -0.42 5.18 0.00 0.15 0.40 119.26 125.29 1aep h ALA 104 Ca -0.04 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1aep h ALA 104 Cb 1.11 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1aep h ALA 104 CO 0.01 -0.37 0.27 -0.07 0.00 0.00 0.00 179.25 179.09 1aep h LEU 105 N 0.19 0.45 -0.79 0.00 3.38 -0.85 -1.93 115.31 115.76 1aep h LEU 105 Ca 0.36 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1aep h LEU 105 Cb 0.59 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1aep h LEU 105 CO -0.51 0.32 0.30 0.74 0.09 0.00 0.00 178.44 179.38 1aep h THR 106 N 0.54 1.26 -0.15 0.22 2.02 -0.64 -2.66 112.91 113.50 1aep h THR 106 Ca 0.16 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 1aep h THR 106 Cb -0.03 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1aep h THR 106 CO -0.06 0.34 -0.33 0.78 0.37 0.00 0.00 175.52 176.63 1aep h ASN 107 N 1.16 0.32 -0.34 4.18 -0.26 0.19 -2.58 115.58 118.25 1aep h ASN 107 Ca 0.26 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.79 1aep h ASN 107 Cb 0.24 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1aep h ASN 107 CO -0.02 0.64 -0.12 0.58 -1.06 0.00 0.00 177.43 177.45 1aep h VAL 108 N 0.27 1.26 -0.40 2.81 2.07 -1.07 -1.93 116.25 119.26 1aep h VAL 108 Ca 0.03 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1aep h VAL 108 Cb 0.72 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1aep h VAL 108 CO 0.05 0.40 -0.08 1.23 0.02 0.00 0.00 177.57 179.20 1aep h GLY 109 N 0.97 0.81 1.07 2.17 0.00 -1.32 -2.41 103.07 104.36 1aep h GLY 109 Ca 0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1aep h GLY 109 CO 0.04 0.60 0.06 0.45 0.00 0.00 0.00 176.54 177.69 1aep h HIS 110 N 0.56 1.16 -0.06 5.60 -0.00 -1.31 -1.25 115.15 119.85 1aep h HIS 110 Ca 0.10 -0.18 -0.07 0.00 -0.00 0.00 0.00 60.37 60.23 1aep h HIS 110 Cb 0.59 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1aep h HIS 110 CO 0.05 0.99 -0.28 1.96 -0.00 0.00 0.00 177.93 180.65 1aep h GLN 111 N 0.99 0.10 -0.20 2.45 4.20 -1.35 -1.00 115.11 120.30 1aep h GLN 111 Ca 0.19 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1aep h GLN 111 Cb 0.49 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.26 1aep h GLN 111 CO 0.02 0.38 -0.63 -1.49 -0.67 0.00 0.00 178.83 176.44 1aep h TRP 112 N 0.09 1.02 -0.20 2.96 4.06 -1.02 -2.75 115.95 120.11 1aep h TRP 112 Ca 0.01 -0.41 -0.01 0.00 2.06 0.00 0.00 58.89 60.54 1aep h TRP 112 Cb 0.55 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1aep h TRP 112 CO 0.00 1.24 0.09 1.96 -3.56 0.00 0.00 178.44 178.17 1aep h GLN 113 N 0.52 0.30 -0.07 0.49 4.20 -0.83 -1.64 115.11 118.08 1aep h GLN 113 Ca -0.02 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1aep h GLN 113 Cb 1.26 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.94 1aep h GLN 113 CO 0.13 0.35 -0.41 -0.44 -0.67 0.00 0.00 178.83 177.79 1aep h ASP 114 N 0.18 -1.29 -0.60 1.46 5.19 -1.20 -1.05 116.42 119.11 1aep h ASP 114 Ca 0.07 0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.72 1aep h ASP 114 Cb 0.16 0.50 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 1aep h ASP 114 CO -0.01 -0.38 0.40 -0.29 -3.12 0.00 0.00 179.24 175.85 1aep h ILE 115 N -0.47 0.92 -0.04 0.35 6.09 -1.49 -1.21 117.51 121.67 1aep h ILE 115 Ca 0.02 -0.16 -0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1aep h ILE 115 Cb 0.53 0.43 -0.00 0.00 0.47 0.00 0.00 36.82 38.24 1aep h ILE 115 CO -0.31 0.08 0.01 0.00 -3.07 0.00 0.00 178.15 174.86 1aep h ALA 116 N 1.69 0.05 -0.69 0.18 0.00 -0.42 -2.55 119.26 117.51 1aep h ALA 116 Ca 0.27 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1aep h ALA 116 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1aep h ALA 116 CO -0.08 -0.33 0.41 1.15 0.00 0.00 0.00 179.25 180.41 1aep h THR 117 N -0.16 1.03 0.13 0.00 2.02 -0.94 -2.20 112.91 112.79 1aep h THR 117 Ca 0.01 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1aep h THR 117 Cb 0.24 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1aep h THR 117 CO 0.00 0.14 -0.29 0.50 0.37 0.00 0.00 175.52 176.24 1aep h LYS 118 N 0.78 -0.50 -0.70 6.66 1.63 -1.07 -0.45 116.57 122.93 1aep h LYS 118 Ca 0.30 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.26 1aep h LYS 118 Cb 0.11 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 1aep h LYS 118 CO -0.15 -0.33 0.47 1.79 -3.45 0.00 0.00 179.45 177.78 1aep h THR 119 N -0.51 0.83 -0.09 1.00 1.35 -1.23 -1.75 112.91 112.50 1aep h THR 119 Ca 0.03 -0.14 -0.19 0.00 -0.55 0.00 0.00 66.41 65.56 1aep h THR 119 Cb 0.54 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1aep h THR 119 CO -0.16 0.07 -0.74 1.56 -0.25 0.00 0.00 175.52 176.00 1aep h GLN 120 N 0.40 0.48 0.00 4.72 4.20 -0.66 -3.15 115.11 121.10 1aep h GLN 120 Ca 0.34 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1aep h GLN 120 Cb 0.75 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1aep h GLN 120 CO -0.10 1.03 0.00 0.00 -0.67 0.00 0.00 178.83 179.09 1aep n ALA 121 N -2.53 2.19 -2.77 3.87 0.00 -0.28 -4.63 120.51 116.35 1aep n ALA 121 Ca -0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1aep n ALA 121 Cb 0.72 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1aep n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aep s SER 122 N -2.82 6.27 0.45 0.00 0.15 -1.05 -4.88 113.70 111.83 1aep s SER 122 Ca 0.17 -1.08 0.24 0.00 0.70 0.00 0.00 55.95 55.98 1aep s SER 122 Cb 0.16 -2.46 0.99 0.00 -1.71 0.00 0.00 66.02 63.01 1aep s SER 122 CO 0.42 -1.48 1.86 0.00 1.20 0.00 0.00 173.24 175.24 1aep h ALA 123 N 9.58 1.05 0.00 5.45 0.00 -1.89 -1.69 119.26 131.76 1aep h ALA 123 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1aep h ALA 123 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1aep h ALA 123 CO 1.22 0.27 0.00 0.00 0.00 0.00 0.00 179.25 180.73 1aep n GLN 124 N -3.43 0.56 -3.23 0.00 0.00 -1.26 -4.90 117.38 105.13 1aep n GLN 124 Ca -0.00 0.01 -0.23 0.00 0.00 0.00 0.00 57.00 56.77 1aep n GLN 124 Cb 0.40 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.19 1aep n GLN 124 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1aep n GLU 125 N -1.21 -5.49 0.01 2.61 1.02 -0.64 -4.90 120.64 112.05 1aep n GLU 125 Ca 0.16 0.84 0.17 0.00 -0.02 0.00 0.00 57.16 58.31 1aep n GLU 125 Cb 0.20 -5.73 0.65 0.00 -0.02 0.00 0.00 31.44 26.53 1aep n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aep h ALA 126 N 1.01 2.36 0.00 0.62 0.00 -1.91 -1.56 119.26 119.77 1aep h ALA 126 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1aep h ALA 126 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1aep h ALA 126 CO 0.57 -0.49 -0.32 0.91 0.00 0.00 0.00 179.25 179.92 1aep n TRP 127 N -4.42 0.13 -0.32 0.00 7.02 -1.26 -4.22 117.44 114.37 1aep n TRP 127 Ca 0.08 0.04 0.17 0.00 -1.02 0.00 0.00 57.50 56.77 1aep n TRP 127 Cb 0.51 -0.43 0.36 0.00 -2.42 0.00 0.00 31.31 29.33 1aep n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aep h ALA 128 N 2.91 1.58 0.00 6.99 0.00 -1.65 -1.55 119.26 127.54 1aep h ALA 128 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aep h ALA 128 Cb 0.55 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1aep h ALA 128 CO 0.00 -0.44 0.00 -1.35 0.00 0.00 0.00 179.25 177.46 1aep h PRO 129 N 0.34 0.00 0.00 0.00 0.11 -1.79 -2.78 132.00 127.88 1aep h PRO 129 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1aep h PRO 129 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1aep h PRO 129 CO -0.58 0.00 -0.01 1.33 -0.21 0.00 0.00 178.00 178.53 1aep n VAL 130 N -2.50 1.11 -0.13 3.15 0.24 -0.60 -4.79 118.33 114.81 1aep n VAL 130 Ca -0.01 -1.19 -0.04 0.00 -2.04 0.00 0.00 64.34 61.07 1aep n VAL 130 Cb 0.12 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 1aep n VAL 130 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1aep h GLN 131 N 0.00 0.13 -0.15 7.34 -0.00 -1.34 -1.66 115.11 119.43 1aep h GLN 131 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1aep h GLN 131 Cb 0.64 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 28.04 1aep h GLN 131 CO 0.00 0.09 -0.14 0.77 0.00 0.00 0.00 178.83 179.54 1aep h SER 132 N 0.14 -0.45 -0.22 -0.69 0.02 -1.87 -0.28 113.55 110.20 1aep h SER 132 Ca 0.21 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1aep h SER 132 Cb 0.30 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1aep h SER 132 CO -0.33 -0.19 -0.04 0.00 -1.14 0.00 0.00 176.83 175.13 1aep h ALA 133 N 0.91 0.16 -0.60 3.77 0.00 -1.86 0.14 119.26 121.78 1aep h ALA 133 Ca 0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1aep h ALA 133 Cb 0.31 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1aep h ALA 133 CO -0.25 -0.46 0.34 -0.07 0.00 0.00 0.00 179.25 178.81 1aep h LEU 134 N 0.02 0.51 -0.22 0.00 3.38 -1.00 -1.09 115.31 116.92 1aep h LEU 134 Ca 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1aep h LEU 134 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1aep h LEU 134 CO -0.21 0.35 0.10 -0.61 0.09 0.00 0.00 178.44 178.16 1aep h GLN 135 N 0.65 0.31 -0.49 1.13 5.75 -0.17 -0.41 115.11 121.87 1aep h GLN 135 Ca 0.26 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1aep h GLN 135 Cb 0.13 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1aep h GLN 135 CO -0.15 0.33 0.29 1.05 -2.65 0.00 0.00 178.83 177.70 1aep h GLU 136 N 0.22 0.68 -0.76 1.69 4.11 -0.50 -1.78 114.58 118.23 1aep h GLU 136 Ca 0.07 -0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1aep h GLU 136 Cb 0.12 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1aep h GLU 136 CO -0.01 0.51 0.50 0.00 0.07 0.00 0.00 179.01 180.08 1aep h ALA 137 N 1.13 1.67 -0.29 1.06 0.00 -0.90 0.15 119.26 122.07 1aep h ALA 137 Ca 0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1aep h ALA 137 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1aep h ALA 137 CO -0.03 0.20 -0.18 0.00 0.00 0.00 0.00 179.25 179.24 1aep h ALA 138 N 1.59 1.14 -0.32 0.00 0.00 -0.37 -1.71 119.26 119.58 1aep h ALA 138 Ca 0.33 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1aep h ALA 138 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aep h ALA 138 CO -0.11 0.54 -0.26 0.93 0.00 0.00 0.00 179.25 180.34 1aep h GLU 139 N 0.48 0.74 -0.34 0.00 5.08 -0.21 -1.92 114.58 118.40 1aep h GLU 139 Ca 0.08 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1aep h GLU 139 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1aep h GLU 139 CO 0.04 0.99 0.07 0.87 -1.00 0.00 0.00 179.01 179.97 1aep h LYS 140 N 0.50 0.51 -0.22 2.33 1.57 -0.94 -1.09 116.57 119.22 1aep h LYS 140 Ca 0.06 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1aep h LYS 140 Cb 0.83 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1aep h LYS 140 CO 0.07 0.48 -0.65 1.15 -0.57 0.00 0.00 179.45 179.93 1aep h THR 141 N 0.50 1.28 -0.35 -0.16 2.02 -1.14 -2.43 112.91 112.62 1aep h THR 141 Ca 0.12 -1.85 0.01 0.00 0.77 0.00 0.00 66.41 65.46 1aep h THR 141 Cb 0.22 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1aep h THR 141 CO -0.00 0.59 0.22 0.50 0.37 0.00 0.00 175.52 177.20 1aep h LYS 142 N 0.59 0.44 -0.39 6.66 3.64 -0.84 -2.17 116.57 124.51 1aep h LYS 142 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1aep h LYS 142 Cb 1.26 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1aep h LYS 142 CO 0.14 0.29 0.24 1.49 -2.27 0.00 0.00 179.45 179.34 1aep h GLU 143 N 0.45 0.52 -0.31 1.90 4.57 -1.22 0.18 114.58 120.68 1aep h GLU 143 Ca 0.13 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1aep h GLU 143 Cb -0.03 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 1aep h GLU 143 CO -0.04 0.38 0.01 0.00 -1.18 0.00 0.00 179.01 178.18 1aep h ALA 144 N 1.11 0.28 -0.27 2.92 0.00 -1.28 0.25 119.26 122.27 1aep h ALA 144 Ca 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1aep h ALA 144 Cb -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1aep h ALA 144 CO -0.03 -0.40 -0.20 0.00 0.00 0.00 0.00 179.25 178.63 1aep h ALA 145 N 1.26 1.15 -0.33 0.00 0.00 -1.04 -1.47 119.26 118.84 1aep h ALA 145 Ca 0.15 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1aep h ALA 145 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aep h ALA 145 CO -0.24 0.54 -0.44 0.00 0.00 0.00 0.00 179.25 179.11 1aep h ALA 146 N 1.34 0.49 -0.33 0.00 0.00 0.07 -2.43 119.26 118.41 1aep h ALA 146 Ca 0.07 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1aep h ALA 146 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1aep h ALA 146 CO 0.04 0.63 0.14 -0.91 0.00 0.00 0.00 179.25 179.15 1aep h ASN 147 N 0.67 0.18 -0.24 0.00 -0.26 -0.34 0.83 115.58 116.42 1aep h ASN 147 Ca 0.04 0.03 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1aep h ASN 147 Cb 1.04 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.25 1aep h ASN 147 CO 0.10 0.14 -0.03 0.25 -1.06 0.00 0.00 177.43 176.84 1aep h LEU 148 N 0.29 -0.15 -0.34 1.61 6.46 -1.25 -1.80 115.31 120.14 1aep h LEU 148 Ca 0.14 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1aep h LEU 148 Cb 0.09 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1aep h LEU 148 CO -0.13 -0.04 0.19 -0.61 -0.62 0.00 0.00 178.44 177.23 1aep h GLN 149 N 0.04 0.39 -0.99 1.25 4.15 -0.88 -1.36 115.11 117.71 1aep h GLN 149 Ca 0.11 -0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.71 1aep h GLN 149 Cb 0.16 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 27.66 1aep h GLN 149 CO -0.21 0.26 0.62 -0.91 -1.93 0.00 0.00 178.83 176.65 1aep h ASN 150 N 0.40 0.67 0.16 -0.69 2.35 -0.30 -1.31 115.58 116.86 1aep h ASN 150 Ca 0.14 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1aep h ASN 150 Cb 0.01 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1aep h ASN 150 CO -0.07 0.24 -0.08 0.28 -1.65 0.00 0.00 177.43 176.15 1aep h SER 151 N 0.65 -0.19 -0.01 5.81 0.02 -0.45 0.72 113.55 120.11 1aep h SER 151 Ca 0.56 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1aep h SER 151 Cb 1.01 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1aep h SER 151 CO -0.32 0.15 0.05 0.40 -1.14 0.00 0.00 176.83 175.96 1aep h ILE 152 N -0.55 0.08 0.07 3.27 2.04 -0.73 -1.38 117.51 120.32 1aep h ILE 152 Ca -0.02 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.61 1aep h ILE 152 Cb 0.42 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1aep h ILE 152 CO 0.04 0.00 -1.16 -0.61 0.00 0.00 0.00 178.15 176.42 1aep h GLN 153 N 0.00 0.16 0.00 2.37 4.15 -1.04 -3.31 115.11 117.43 1aep h GLN 153 Ca 0.00 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 1aep h GLN 153 Cb 0.10 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1aep h GLN 153 CO -0.00 1.13 -0.11 1.03 -1.93 0.00 0.00 178.83 178.95 1aep h SER 154 N -0.56 0.00 -0.29 -0.69 0.87 -0.15 -2.61 113.55 110.11 1aep h SER 154 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1aep h SER 154 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1aep h SER 154 CO -0.01 0.11 0.00 0.00 -0.53 0.00 0.00 176.83 176.40 1aep n ALA 155 N -2.15 2.47 -0.20 6.23 0.00 -0.59 -3.36 120.51 122.91 1aep n ALA 155 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1aep n ALA 155 Cb 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1aep n ALA 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aep n VAL 156 N 0.61 0.71 -0.01 0.00 0.31 -0.99 -4.49 118.33 114.46 1aep n VAL 156 Ca 0.16 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1aep n VAL 156 Cb 0.37 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 1aep n VAL 156 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aep n GLN 157 N -0.35 3.15 0.00 5.55 10.64 -1.17 -5.07 117.38 130.12 1aep n GLN 157 Ca 0.00 -0.23 0.00 0.00 -1.83 0.00 0.00 57.00 54.94 1aep n GLN 157 Cb 0.27 -0.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 1aep n GLN 157 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40