#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tro h PRO 6 N 0.00 -0.71 -0.35 1.43 0.13 -2.05 4.69 132.00 135.15 1tro h PRO 6 Ca 0.00 0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.06 1tro h PRO 6 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1tro h PRO 6 CO 0.00 -0.47 -0.27 1.88 -0.23 0.00 0.00 178.00 178.91 1tro h TYR 7 N -0.73 0.83 0.05 1.56 -1.99 -2.05 -1.85 116.97 112.78 1tro h TYR 7 Ca 0.00 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.55 1tro h TYR 7 Cb 0.74 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.25 1tro h TYR 7 CO -0.43 0.91 -0.20 0.77 -0.00 0.00 0.00 178.16 179.22 1tro h SER 8 N 0.62 -0.56 -0.17 3.88 0.02 -1.79 0.68 113.55 116.23 1tro h SER 8 Ca 0.08 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1tro h SER 8 Cb 0.78 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1tro h SER 8 CO 0.06 -0.27 -0.03 0.00 -1.14 0.00 0.00 176.83 175.45 1tro h ALA 9 N 0.52 1.40 -0.21 3.77 0.00 0.93 -1.42 119.26 124.26 1tro h ALA 9 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1tro h ALA 9 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1tro h ALA 9 CO -0.15 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 1tro h ALA 10 N 1.53 0.29 -0.06 0.00 0.00 -0.68 -1.88 119.26 118.46 1tro h ALA 10 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1tro h ALA 10 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tro h ALA 10 CO 0.01 0.09 0.03 1.98 0.00 0.00 0.00 179.25 181.36 1tro h MET 11 N 0.12 0.06 -0.70 0.00 4.05 -0.42 -2.07 114.93 115.97 1tro h MET 11 Ca 0.05 -0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.56 1tro h MET 11 Cb 0.53 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 1tro h MET 11 CO 0.02 0.04 0.46 0.00 0.23 0.00 0.00 176.91 177.66 1tro h ALA 12 N 1.03 1.89 -0.20 0.39 0.00 -1.14 -2.26 119.26 118.99 1tro h ALA 12 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1tro h ALA 12 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1tro h ALA 12 CO -0.02 -0.04 -0.47 1.49 0.00 0.00 0.00 179.25 180.21 1tro h GLU 13 N 0.57 0.51 -0.39 0.00 4.81 -1.04 -1.67 114.58 117.36 1tro h GLU 13 Ca 0.32 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1tro h GLU 13 Cb 0.50 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1tro h GLU 13 CO -0.11 0.87 -0.26 0.93 -0.73 0.00 0.00 179.01 179.72 1tro h GLU 14 N 0.41 0.87 -0.66 1.92 5.08 -0.83 -2.54 114.58 118.83 1tro h GLU 14 Ca 0.02 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1tro h GLU 14 Cb 0.98 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1tro h GLU 14 CO 0.09 1.06 0.24 0.00 -1.00 0.00 0.00 179.01 179.39 1tro h ARG 15 N 0.68 1.00 -0.62 2.33 3.08 -1.33 -2.46 114.38 117.06 1tro h ARG 15 Ca 0.08 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1tro h ARG 15 Cb 0.83 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1tro h ARG 15 CO 0.07 0.85 0.31 1.25 -1.07 0.00 0.00 179.97 181.39 1tro h HIS 16 N 0.94 0.86 -0.39 3.04 2.76 -1.28 -2.26 115.15 118.81 1tro h HIS 16 Ca 0.22 -0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.21 1tro h HIS 16 Cb 0.24 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1tro h HIS 16 CO 0.02 0.62 -0.36 1.96 -1.30 0.00 0.00 177.93 178.86 1tro h GLN 17 N 0.87 0.92 -0.32 5.26 4.20 -1.01 -2.20 115.11 122.83 1tro h GLN 17 Ca 0.22 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1tro h GLN 17 Cb 0.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1tro h GLN 17 CO -0.03 1.12 0.16 0.93 -0.67 0.00 0.00 178.83 180.34 1tro h GLU 18 N 0.76 0.46 -0.84 1.46 5.08 -1.37 -0.36 114.58 119.77 1tro h GLU 18 Ca 0.07 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1tro h GLU 18 Cb 0.95 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1tro h GLU 18 CO 0.09 0.41 0.50 2.35 -1.00 0.00 0.00 179.01 181.37 1tro h TRP 19 N 0.39 0.93 -0.57 4.33 2.91 -1.29 -1.57 115.95 121.08 1tro h TRP 19 Ca 0.11 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.11 1tro h TRP 19 Cb 0.10 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.43 1tro h TRP 19 CO -0.02 0.44 0.13 -0.07 -1.03 0.00 0.00 178.44 177.89 1tro h LEU 20 N 0.89 0.82 -1.20 0.65 3.38 -0.89 -1.64 115.31 117.33 1tro h LEU 20 Ca 0.38 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1tro h LEU 20 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1tro h LEU 20 CO -0.20 0.81 0.54 -0.09 0.09 0.00 0.00 178.44 179.59 1tro h ARG 21 N 0.85 1.07 -0.45 1.13 2.43 -0.08 -0.49 114.38 118.84 1tro h ARG 21 Ca 0.18 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1tro h ARG 21 Cb 0.32 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1tro h ARG 21 CO -0.00 0.71 0.05 0.35 -1.51 0.00 0.00 179.97 179.57 1tro h PHE 22 N 1.10 0.81 -0.57 2.20 3.57 -0.89 -1.04 116.94 122.13 1tro h PHE 22 Ca 0.30 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1tro h PHE 22 Cb -0.12 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1tro h PHE 22 CO -0.00 0.78 -0.06 0.28 -2.23 0.00 0.00 178.31 177.08 1tro h VAL 23 N 0.61 1.27 -0.59 1.41 2.07 -0.60 -1.79 116.25 118.63 1tro h VAL 23 Ca 0.13 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1tro h VAL 23 Cb 0.42 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1tro h VAL 23 CO 0.01 0.43 0.19 -0.78 0.02 0.00 0.00 177.57 177.44 1tro h ASP 24 N 0.93 0.87 -0.74 0.57 1.82 -1.08 -1.16 116.42 117.62 1tro h ASP 24 Ca 0.15 -0.21 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1tro h ASP 24 Cb 0.62 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1tro h ASP 24 CO 0.04 0.84 0.24 0.25 -1.61 0.00 0.00 179.24 179.00 1tro h LEU 25 N 0.84 1.07 -0.50 2.28 5.85 -0.97 -2.01 115.31 121.88 1tro h LEU 25 Ca 0.19 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 1tro h LEU 25 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1tro h LEU 25 CO -0.01 0.99 -0.51 0.25 -0.34 0.00 0.00 178.44 178.83 1tro h LEU 26 N 1.09 0.71 0.12 2.25 5.85 -1.17 -1.74 115.31 122.42 1tro h LEU 26 Ca 0.24 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1tro h LEU 26 Cb 0.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1tro h LEU 26 CO -0.01 1.09 -0.11 0.50 -0.34 0.00 0.00 178.44 179.57 1tro h LYS 27 N 0.51 -0.25 -0.71 1.25 3.64 -0.90 -1.64 116.57 118.47 1tro h LYS 27 Ca 0.02 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1tro h LYS 27 Cb 1.06 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.85 1tro h LYS 27 CO 0.10 -0.17 0.29 -0.91 -2.27 0.00 0.00 179.45 176.50 1tro h ASN 28 N -0.26 0.29 -0.08 4.20 2.35 -1.17 -1.42 115.58 119.49 1tro h ASN 28 Ca 0.00 0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1tro h ASN 28 Cb 0.24 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1tro h ASN 28 CO -0.03 0.14 -0.24 0.00 -1.65 0.00 0.00 177.43 175.65 1tro h ALA 29 N 1.50 -0.26 -0.62 -0.83 0.00 -1.04 -0.53 119.26 117.48 1tro h ALA 29 Ca 0.38 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1tro h ALA 29 Cb 0.52 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1tro h ALA 29 CO -0.36 -0.72 0.04 1.88 0.00 0.00 0.00 179.25 180.09 1tro h TYR 30 N -0.33 0.03 -0.05 0.00 0.05 -0.69 0.18 116.97 116.15 1tro h TYR 30 Ca 0.09 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.92 1tro h TYR 30 Cb 0.46 0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 1tro h TYR 30 CO -0.32 -0.14 0.05 1.96 -1.05 0.00 0.00 178.16 178.66 1tro h GLN 31 N 0.15 0.00 -0.00 4.88 4.20 -0.21 -2.83 115.11 121.30 1tro h GLN 31 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1tro h GLN 31 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1tro h GLN 31 CO -0.50 0.00 -0.86 0.09 -0.67 0.00 0.00 178.83 176.89 1tro n ASN 32 N -4.02 1.12 -0.16 1.46 3.02 0.34 -4.95 115.26 112.07 1tro n ASN 32 Ca -0.02 -1.06 -0.02 0.00 -0.03 0.00 0.00 54.58 53.46 1tro n ASN 32 Cb 0.14 0.91 -0.01 0.00 -0.61 0.00 0.00 39.78 40.22 1tro n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tro n ASP 33 N -1.23 -2.96 -1.14 6.41 2.03 0.34 -4.88 116.55 115.12 1tro n ASP 33 Ca 0.05 0.04 0.08 0.00 0.52 0.00 0.00 54.79 55.48 1tro n ASP 33 Cb 0.33 -0.90 0.28 0.00 -0.72 0.00 0.00 41.12 40.12 1tro n ASP 33 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1tro n LEU 34 N -0.23 4.18 -0.06 -2.67 4.77 -0.30 -4.69 117.00 118.01 1tro n LEU 34 Ca -0.02 -2.70 -0.03 0.00 -0.03 0.00 0.00 56.01 53.23 1tro n LEU 34 Cb 0.13 -0.52 0.20 0.00 -2.33 0.00 0.00 43.42 40.91 1tro n LEU 34 CO 0.03 0.71 0.86 1.12 -1.33 0.00 0.00 177.39 178.78 1tro h HIS 35 N 2.65 0.71 0.19 -1.77 2.07 -1.89 -1.46 115.15 115.65 1tro h HIS 35 Ca 0.00 -0.10 -0.01 0.00 -2.85 0.00 0.00 60.37 57.41 1tro h HIS 35 Cb 1.40 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1tro h HIS 35 CO 0.60 0.70 -0.09 -0.07 -3.07 0.00 0.00 177.93 176.00 1tro h LEU 36 N 0.62 -0.21 -0.84 6.12 4.07 -1.93 -1.72 115.31 121.41 1tro h LEU 36 Ca 0.12 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.81 1tro h LEU 36 Cb 0.47 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1tro h LEU 36 CO 0.02 0.05 -0.22 1.55 -1.08 0.00 0.00 178.44 178.76 1tro h PRO 37 N -0.48 0.62 -0.46 1.13 0.13 -1.90 -1.29 132.00 129.75 1tro h PRO 37 Ca -0.03 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1tro h PRO 37 Cb 0.36 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1tro h PRO 37 CO 0.04 0.79 0.22 1.25 -0.23 0.00 0.00 178.00 180.07 1tro h LEU 38 N 0.55 0.30 -0.54 1.56 5.85 -1.15 -2.03 115.31 119.85 1tro h LEU 38 Ca 0.08 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1tro h LEU 38 Cb 0.67 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1tro h LEU 38 CO 0.05 0.21 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.60 1tro h LEU 39 N 0.43 0.00 -0.92 2.25 3.38 -0.78 -0.65 115.31 119.02 1tro h LEU 39 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tro h LEU 39 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1tro h LEU 39 CO -0.16 0.69 0.35 0.78 0.09 0.00 0.00 178.44 180.19 1tro h ASN 40 N 0.00 1.03 0.06 -0.43 -0.26 -1.06 -2.49 115.58 112.43 1tro h ASN 40 Ca -0.01 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1tro h ASN 40 Cb 1.27 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.27 1tro h ASN 40 CO 0.09 0.88 -0.03 0.25 -1.06 0.00 0.00 177.43 177.56 1tro h LEU 41 N 1.11 -0.07 -0.01 1.61 5.85 -0.97 -3.36 115.31 119.47 1tro h LEU 41 Ca 0.27 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1tro h LEU 41 Cb 0.15 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1tro h LEU 41 CO -0.03 0.38 0.00 0.24 -0.34 0.00 0.00 178.44 178.69 1tro h MET 42 N -0.54 0.00 -5.96 1.25 2.86 -1.15 -3.46 114.93 107.92 1tro h MET 42 Ca -0.01 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1tro h MET 42 Cb 0.47 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.97 1tro h MET 42 CO 0.01 0.00 -0.77 -0.51 1.06 0.00 0.00 176.91 176.71 1tro s LEU 43 N -5.88 2.51 0.24 1.22 1.43 -0.94 -5.08 118.68 112.18 1tro s LEU 43 Ca 0.08 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1tro s LEU 43 Cb 0.06 -0.89 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 1tro s LEU 43 CO 0.65 -0.04 0.52 0.42 0.23 0.00 0.00 176.35 178.13 1tro s THR 44 N -2.42 5.02 0.25 5.49 -4.23 -1.26 -4.71 115.64 113.77 1tro s THR 44 Ca 0.22 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1tro s THR 44 Cb -0.04 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 70.39 1tro s THR 44 CO 0.09 -0.16 1.66 -0.65 -0.54 0.00 0.00 174.62 175.02 1tro h PRO 45 N 2.23 0.18 -0.51 3.99 0.11 -1.96 -0.96 132.00 135.07 1tro h PRO 45 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1tro h PRO 45 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1tro h PRO 45 CO 0.68 0.12 0.10 -0.44 -0.21 0.00 0.00 178.00 178.25 1tro h ASP 46 N 0.18 0.74 -0.53 -2.05 3.32 -2.00 -0.78 116.42 115.31 1tro h ASP 46 Ca 0.44 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1tro h ASP 46 Cb 0.79 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1tro h ASP 46 CO -0.60 0.75 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.32 1tro h GLU 47 N 0.76 0.98 -0.39 3.56 5.08 -1.81 -2.28 114.58 120.48 1tro h GLU 47 Ca 0.16 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1tro h GLU 47 Cb 0.32 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1tro h GLU 47 CO 0.00 0.98 0.16 0.00 -1.00 0.00 0.00 179.01 179.15 1tro h ARG 48 N 0.90 0.59 -0.17 2.33 3.08 -0.54 -2.00 114.38 118.56 1tro h ARG 48 Ca 0.16 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1tro h ARG 48 Cb 0.55 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1tro h ARG 48 CO 0.03 0.55 -0.01 0.93 -1.07 0.00 0.00 179.97 180.40 1tro h GLU 49 N 0.49 0.03 -0.91 0.04 5.08 -0.99 -2.67 114.58 115.66 1tro h GLU 49 Ca 0.13 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1tro h GLU 49 Cb 0.18 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1tro h GLU 49 CO -0.01 0.02 0.56 0.00 -1.00 0.00 0.00 179.01 178.58 1tro h ALA 50 N 1.15 1.28 -0.23 3.43 0.00 -1.32 -2.06 119.26 121.51 1tro h ALA 50 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1tro h ALA 50 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1tro h ALA 50 CO -0.15 0.27 -0.36 -0.07 0.00 0.00 0.00 179.25 178.94 1tro h LEU 51 N 0.98 0.54 -1.18 0.00 3.38 -1.18 -1.80 115.31 116.04 1tro h LEU 51 Ca 0.41 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1tro h LEU 51 Cb 0.26 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1tro h LEU 51 CO -0.20 0.86 0.57 1.23 0.09 0.00 0.00 178.44 180.98 1tro h GLY 52 N 1.07 1.25 1.24 0.83 0.00 -1.04 -2.59 103.07 103.84 1tro h GLY 52 Ca 0.05 -0.41 -0.27 0.00 0.00 0.00 0.00 47.33 46.70 1tro h GLY 52 CO 0.07 0.32 -1.08 -0.84 0.00 0.00 0.00 176.54 175.01 1tro h THR 53 N 1.02 1.29 -0.10 4.70 2.02 -1.28 -3.22 112.91 117.33 1tro h THR 53 Ca 0.36 -2.31 0.04 0.00 0.77 0.00 0.00 66.41 65.27 1tro h THR 53 Cb 0.14 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1tro h THR 53 CO -0.13 0.71 -0.12 0.03 0.37 0.00 0.00 175.52 176.38 1tro h ARG 54 N 0.36 -0.15 -0.35 6.66 -0.00 -1.04 -1.38 114.38 118.46 1tro h ARG 54 Ca -0.14 0.01 0.03 0.00 -0.50 0.00 0.00 59.98 59.38 1tro h ARG 54 Cb 1.74 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 31.71 1tro h ARG 54 CO 0.21 -0.10 0.17 -0.24 0.00 0.00 0.00 179.97 180.00 1tro h VAL 55 N -0.16 0.97 -0.21 2.04 3.04 -1.56 -2.19 116.25 118.18 1tro h VAL 55 Ca 0.08 -0.12 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 1tro h VAL 55 Cb 0.27 0.59 -0.07 0.00 -2.01 0.00 0.00 31.29 30.07 1tro h VAL 55 CO -0.20 0.06 -0.37 0.03 -1.01 0.00 0.00 177.57 176.09 1tro h ARG 56 N 0.34 -0.38 -0.61 4.17 2.47 -1.33 0.68 114.38 119.72 1tro h ARG 56 Ca 0.15 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 59.01 1tro h ARG 56 Cb 0.08 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.40 1tro h ARG 56 CO -0.12 -0.26 0.13 0.82 0.56 0.00 0.00 179.97 181.10 1tro h ILE 57 N -0.40 0.63 -0.54 2.04 2.04 -0.79 -0.19 117.51 120.30 1tro h ILE 57 Ca 0.11 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1tro h ILE 57 Cb 0.58 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1tro h ILE 57 CO -0.42 0.05 0.10 0.58 0.00 0.00 0.00 178.15 178.45 1tro h VAL 58 N 0.26 1.25 -0.74 1.67 2.07 -0.99 0.76 116.25 120.53 1tro h VAL 58 Ca 0.32 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1tro h VAL 58 Cb 0.48 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1tro h VAL 58 CO -0.41 0.34 0.35 -0.08 0.02 0.00 0.00 177.57 177.79 1tro h GLU 59 N 0.78 1.07 0.01 1.57 4.81 -0.13 -2.54 114.58 120.14 1tro h GLU 59 Ca 0.17 -0.16 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 1tro h GLU 59 Cb 0.39 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1tro h GLU 59 CO 0.01 0.84 -0.93 0.93 -0.73 0.00 0.00 179.01 179.13 1tro h GLU 60 N 1.04 0.31 0.53 1.92 4.39 -0.94 -2.64 114.58 119.18 1tro h GLU 60 Ca 0.25 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1tro h GLU 60 Cb 0.13 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1tro h GLU 60 CO -0.03 1.05 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.48 1tro h LEU 61 N 0.17 -0.80 -0.92 1.33 4.07 -0.76 -1.74 115.31 116.66 1tro h LEU 61 Ca -0.07 0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.15 1tro h LEU 61 Cb 1.57 0.23 -0.12 0.00 1.08 0.00 0.00 40.66 43.43 1tro h LEU 61 CO 0.15 -0.49 0.46 -0.07 -1.08 0.00 0.00 178.44 177.41 1tro h LEU 62 N -0.79 0.47 -0.88 1.67 3.38 -1.54 -1.08 115.31 116.55 1tro h LEU 62 Ca -0.07 0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1tro h LEU 62 Cb 0.63 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1tro h LEU 62 CO 0.08 0.08 -0.08 -0.09 0.09 0.00 0.00 178.44 178.51 1tro h ARG 63 N 0.50 0.74 -6.18 1.13 2.43 -1.31 -3.48 114.38 108.21 1tro h ARG 63 Ca 0.56 -0.23 -0.44 0.00 -0.81 0.00 0.00 59.98 59.06 1tro h ARG 63 Cb 1.02 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1tro h ARG 63 CO -0.48 0.81 -0.79 0.41 -1.51 0.00 0.00 179.97 178.41 1tro n GLY 64 N -0.52 -0.39 0.13 2.80 0.00 -0.41 -4.94 105.19 101.85 1tro n GLY 64 Ca 0.02 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1tro n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tro n GLU 65 N -4.49 0.58 -3.52 1.61 1.02 -1.26 -4.99 120.64 109.60 1tro n GLU 65 Ca -0.13 0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 57.19 1tro n GLU 65 Cb 0.61 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 1tro n GLU 65 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1tro s MET 66 N -2.46 3.06 0.62 3.49 -1.94 -1.26 -5.13 119.30 115.68 1tro s MET 66 Ca -0.35 -1.06 -0.02 0.00 -1.71 0.00 0.00 55.69 52.55 1tro s MET 66 Cb 0.11 -2.77 0.05 0.00 2.01 0.00 0.00 34.83 34.23 1tro s MET 66 CO 0.53 0.06 0.89 -1.54 -0.01 0.00 0.00 175.02 174.95 1tro s SER 67 N -4.15 5.06 0.44 3.03 1.04 -1.26 -4.87 113.70 112.99 1tro s SER 67 Ca 0.44 0.20 0.14 0.00 0.48 0.00 0.00 55.95 57.22 1tro s SER 67 Cb -0.09 -0.98 0.97 0.00 0.10 0.00 0.00 66.02 66.02 1tro s SER 67 CO 0.30 -1.36 1.98 1.56 0.98 0.00 0.00 173.24 176.71 1tro h GLN 68 N -0.24 0.02 -0.03 4.02 4.20 -2.00 0.40 115.11 121.48 1tro h GLN 68 Ca -0.43 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.05 1tro h GLN 68 Cb 1.31 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.09 1tro h GLN 68 CO 0.56 0.21 -0.92 0.00 -0.67 0.00 0.00 178.83 178.01 1tro h ARG 69 N 0.02 0.50 -0.39 1.46 3.08 -1.99 -1.99 114.38 115.07 1tro h ARG 69 Ca 0.00 -0.51 -0.14 0.00 0.07 0.00 0.00 59.98 59.40 1tro h ARG 69 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1tro h ARG 69 CO 0.02 1.14 -0.31 0.93 -1.07 0.00 0.00 179.97 180.69 1tro h GLU 70 N 0.30 0.86 0.64 0.04 5.08 -1.26 -2.99 114.58 117.25 1tro h GLU 70 Ca -0.08 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1tro h GLU 70 Cb 1.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1tro h GLU 70 CO 0.17 1.05 -0.48 1.25 -1.00 0.00 0.00 179.01 179.99 1tro h LEU 71 N 0.72 -1.27 -1.45 1.33 5.85 0.10 -2.82 115.31 117.76 1tro h LEU 71 Ca 0.08 0.09 0.38 0.00 0.84 0.00 0.00 57.88 59.26 1tro h LEU 71 Cb 0.87 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 1tro h LEU 71 CO 0.08 -0.70 0.81 0.07 -0.34 0.00 0.00 178.44 178.36 1tro h LYS 72 N -1.08 0.17 -0.03 1.25 2.10 -1.41 -1.50 116.57 116.06 1tro h LYS 72 Ca -0.08 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.32 1tro h LYS 72 Cb 0.90 -0.04 0.02 0.00 -0.90 0.00 0.00 32.23 32.21 1tro h LYS 72 CO 0.03 0.11 -0.90 -0.97 -2.00 0.00 0.00 179.45 175.72 1tro h ASN 73 N 0.17 0.84 -0.75 7.07 -1.24 -1.34 -1.54 115.58 118.79 1tro h ASN 73 Ca 0.73 -0.72 -0.06 0.00 0.71 0.00 0.00 56.30 56.96 1tro h ASN 73 Cb 2.25 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 41.01 1tro h ASN 73 CO -0.34 1.44 0.23 -0.08 -1.29 0.00 0.00 177.43 177.40 1tro h GLU 74 N 0.31 1.16 -0.01 6.67 4.81 -1.15 -3.19 114.58 123.19 1tro h GLU 74 Ca -0.10 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1tro h GLU 74 Cb 1.56 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1tro h GLU 74 CO 0.18 0.99 -0.40 1.28 -0.73 0.00 0.00 179.01 180.33 1tro n LEU 75 N -4.25 1.25 -3.34 1.64 4.77 -1.13 -4.96 117.00 110.98 1tro n LEU 75 Ca 0.06 -0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 1tro n LEU 75 Cb 0.23 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1tro n LEU 75 CO 0.42 0.24 0.02 0.61 -1.33 0.00 0.00 177.39 177.35 1tro n GLY 76 N 1.39 -0.51 3.81 -0.72 0.00 -0.67 -4.96 105.19 103.54 1tro n GLY 76 Ca 0.10 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1tro n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tro s ALA 77 N -3.12 3.62 0.42 4.61 0.00 -0.67 -5.04 121.76 121.57 1tro s ALA 77 Ca 0.42 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.97 1tro s ALA 77 Cb -0.21 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 1tro s ALA 77 CO 0.52 0.53 1.08 0.20 0.00 0.00 0.00 175.76 178.08 1tro s GLY 78 N -3.06 2.73 0.37 0.00 0.00 -1.26 -4.67 107.32 101.42 1tro s GLY 78 Ca 0.31 0.75 0.13 0.00 0.00 0.00 0.00 44.72 45.92 1tro s GLY 78 CO 0.24 1.18 1.79 1.19 0.00 0.00 0.00 173.10 177.50 1tro h ILE 79 N 2.08 0.62 0.00 0.90 6.09 -1.94 -2.42 117.51 122.84 1tro h ILE 79 Ca -0.49 -0.18 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1tro h ILE 79 Cb 1.22 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 1tro h ILE 79 CO 0.62 0.10 -0.02 0.00 -3.07 0.00 0.00 178.15 175.78 1tro h ALA 80 N 1.63 1.06 0.14 0.18 0.00 -1.99 -1.15 119.26 119.13 1tro h ALA 80 Ca 0.56 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.17 1tro h ALA 80 Cb 1.21 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1tro h ALA 80 CO -0.31 0.02 -1.35 1.15 0.00 0.00 0.00 179.25 178.76 1tro h THR 81 N 0.00 1.38 -0.31 0.00 2.02 -1.82 -1.90 112.91 112.28 1tro h THR 81 Ca -0.00 -2.95 -0.09 0.00 0.77 0.00 0.00 66.41 64.14 1tro h THR 81 Cb 0.19 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1tro h THR 81 CO 0.00 0.86 -0.16 0.40 0.37 0.00 0.00 175.52 176.99 1tro h ILE 82 N 0.08 1.29 -0.61 3.11 5.03 -1.28 -1.70 117.51 123.44 1tro h ILE 82 Ca -0.18 -1.27 -0.04 0.00 -0.12 0.00 0.00 64.86 63.24 1tro h ILE 82 Cb 2.01 1.46 -0.03 0.00 -3.03 0.00 0.00 36.82 37.23 1tro h ILE 82 CO 0.20 0.41 0.20 0.74 -0.68 0.00 0.00 178.15 179.02 1tro h THR 83 N 0.41 1.23 -0.08 -0.27 2.02 -1.39 0.11 112.91 114.94 1tro h THR 83 Ca 0.07 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1tro h THR 83 Cb 0.69 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1tro h THR 83 CO 0.05 0.30 -0.03 0.03 0.37 0.00 0.00 175.52 176.24 1tro h ARG 84 N 0.90 -0.01 -0.13 6.66 2.47 -0.97 0.12 114.38 123.42 1tro h ARG 84 Ca 0.20 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.96 1tro h ARG 84 Cb 0.24 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 1tro h ARG 84 CO -0.01 -0.01 -0.14 0.78 0.56 0.00 0.00 179.97 181.15 1tro h GLY 85 N -0.02 -0.07 0.48 0.04 0.00 -0.36 -0.86 103.07 102.29 1tro h GLY 85 Ca 0.04 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1tro h GLY 85 CO -0.09 -0.15 -0.32 0.23 0.00 0.00 0.00 176.54 176.21 1tro h SER 86 N -0.18 -0.91 -0.13 0.19 0.87 -0.66 0.16 113.55 112.90 1tro h SER 86 Ca 0.09 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1tro h SER 86 Cb 0.31 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1tro h SER 86 CO -0.23 -0.42 0.08 0.78 -0.53 0.00 0.00 176.83 176.52 1tro h ASN 87 N -0.57 0.15 -0.09 6.23 -0.26 -0.76 -2.89 115.58 117.40 1tro h ASN 87 Ca 0.02 -0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.54 1tro h ASN 87 Cb 0.58 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1tro h ASN 87 CO -0.16 0.11 -0.80 0.28 -1.06 0.00 0.00 177.43 175.79 1tro h SER 88 N 0.17 0.86 -0.78 5.81 0.02 0.73 -3.19 113.55 117.16 1tro h SER 88 Ca 0.05 -0.68 0.10 0.00 -0.84 0.00 0.00 61.79 60.42 1tro h SER 88 Cb -0.02 -0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.19 1tro h SER 88 CO -0.01 1.40 0.42 0.25 -1.14 0.00 0.00 176.83 177.76 1tro h LEU 89 N 0.38 0.58 -0.49 5.07 5.85 -1.06 -2.62 115.31 123.02 1tro h LEU 89 Ca -0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1tro h LEU 89 Cb 1.45 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1tro h LEU 89 CO 0.16 0.33 0.23 0.11 -0.34 0.00 0.00 178.44 178.93 1tro h LYS 90 N 0.70 0.70 0.00 1.25 1.57 -1.52 -2.44 116.57 116.84 1tro h LYS 90 Ca 0.38 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1tro h LYS 90 Cb 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1tro h LYS 90 CO -0.26 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1tro n ALA 91 N -2.31 2.66 -2.04 3.86 0.00 -1.06 -4.82 120.51 116.82 1tro n ALA 91 Ca 0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1tro n ALA 91 Cb 0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 1tro n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tro s ALA 92 N -2.00 3.33 0.67 0.00 0.00 -0.92 -5.02 121.76 117.82 1tro s ALA 92 Ca 0.46 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 1tro s ALA 92 Cb 0.21 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1tro s ALA 92 CO 0.35 0.13 0.80 -2.30 0.00 0.00 0.00 175.76 174.74 1tro n PRO 93 N 2.09 0.56 -0.10 0.00 -0.02 -1.26 -4.78 135.00 131.50 1tro n PRO 93 Ca -0.01 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.63 1tro n PRO 93 Cb 0.48 -2.04 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1tro n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1tro h VAL 94 N -0.01 0.96 -0.42 -1.45 2.07 -1.95 -1.59 116.25 113.85 1tro h VAL 94 Ca -0.47 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1tro h VAL 94 Cb 1.36 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1tro h VAL 94 CO 0.47 0.06 0.11 -0.33 0.02 0.00 0.00 177.57 177.90 1tro h GLU 95 N 0.32 0.25 -0.07 1.57 3.07 -1.99 0.21 114.58 117.94 1tro h GLU 95 Ca 0.15 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1tro h GLU 95 Cb 0.08 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1tro h GLU 95 CO -0.12 0.17 0.04 1.25 -1.40 0.00 0.00 179.01 178.95 1tro h LEU 96 N 0.26 0.09 -1.44 1.33 5.85 -1.81 0.30 115.31 119.89 1tro h LEU 96 Ca 0.20 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1tro h LEU 96 Cb 0.23 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1tro h LEU 96 CO -0.24 0.12 0.50 0.03 -0.34 0.00 0.00 178.44 178.51 1tro h ARG 97 N 0.05 0.60 0.26 1.25 3.08 -0.66 0.07 114.38 119.02 1tro h ARG 97 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1tro h ARG 97 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1tro h ARG 97 CO -0.00 0.39 -0.12 1.96 -1.07 0.00 0.00 179.97 181.13 1tro h GLN 98 N 0.61 -0.33 -0.55 0.04 1.08 -0.20 -2.84 115.11 112.92 1tro h GLN 98 Ca 0.35 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.69 1tro h GLN 98 Cb 0.55 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.96 1tro h GLN 98 CO -0.13 0.01 -0.07 2.35 -0.95 0.00 0.00 178.83 180.04 1tro h TRP 99 N -0.74 -0.16 0.14 2.96 7.01 0.49 -2.54 115.95 123.11 1tro h TRP 99 Ca -0.04 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.03 1tro h TRP 99 Cb 0.50 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 1tro h TRP 99 CO 0.04 -0.19 -0.44 -0.07 -2.79 0.00 0.00 178.44 174.99 1tro h LEU 100 N 0.06 -1.30 -0.50 0.65 3.38 -1.01 0.49 115.31 117.07 1tro h LEU 100 Ca 0.27 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.41 1tro h LEU 100 Cb 0.43 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1tro h LEU 100 CO -0.52 -0.51 0.29 -0.33 0.09 0.00 0.00 178.44 177.46 1tro h GLU 101 N -0.69 0.56 0.44 1.13 5.08 -1.40 4.07 114.58 123.77 1tro h GLU 101 Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1tro h GLU 101 Cb 0.71 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1tro h GLU 101 CO -0.24 0.37 -0.28 1.49 -1.00 0.00 0.00 179.01 179.35 1tro h GLU 102 N 0.58 -0.66 0.01 2.33 4.81 -1.15 1.11 114.58 121.60 1tro h GLU 102 Ca 0.21 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1tro h GLU 102 Cb 0.04 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1tro h GLU 102 CO -0.10 -0.44 -0.00 0.28 -0.73 0.00 0.00 179.01 178.01 1tro h VAL 103 N -0.69 1.42 -0.01 0.32 2.07 0.18 -3.34 116.25 116.20 1tro h VAL 103 Ca -0.05 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1tro h VAL 103 Cb 0.57 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1tro h VAL 103 CO 0.05 0.34 -0.01 -0.07 0.02 0.00 0.00 177.57 177.89 1tro h LEU 104 N -0.58 0.03 -1.80 2.57 3.38 0.79 -3.50 115.31 116.21 1tro h LEU 104 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1tro h LEU 104 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1tro h LEU 104 CO 0.00 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.24