#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2a n GLY 6 N 0.00 0.00 3.30 5.00 0.00 -1.26 -4.91 105.19 107.32 2d2a n GLY 6 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2d2a n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d2a s THR 7 N 0.00 -0.27 0.03 2.61 -1.32 -1.26 -5.18 115.64 110.24 2d2a s THR 7 Ca 0.00 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 2d2a s THR 7 Cb 0.00 -0.66 -0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2d2a s THR 7 CO 0.00 0.05 0.01 2.22 -2.21 0.00 0.00 174.62 174.69 2d2a n PHE 8 N 4.71 -0.02 -3.29 9.09 1.16 -1.26 -5.15 117.46 122.69 2d2a n PHE 8 Ca -0.17 -0.18 -0.00 0.00 -1.87 0.00 0.00 57.45 55.22 2d2a n PHE 8 Cb 0.53 0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.38 2d2a n PHE 8 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2d2a s ASN 9 N -1.16 -0.93 0.00 5.98 3.04 -1.26 -5.04 114.94 115.56 2d2a s ASN 9 Ca 0.02 0.83 0.13 0.00 0.04 0.00 0.00 52.86 53.88 2d2a s ASN 9 Cb 0.00 1.91 0.70 0.00 -1.54 0.00 0.00 41.25 42.32 2d2a s ASN 9 CO 0.01 -0.26 1.24 -0.81 -3.04 0.00 0.00 177.10 174.24 2d2a n PRO 10 N 5.42 0.31 0.15 0.43 -0.04 -1.26 -1.76 135.00 138.24 2d2a n PRO 10 Ca -0.03 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2d2a n PRO 10 Cb 0.50 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.66 2d2a n PRO 10 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2d2a h GLN 11 N 0.00 0.00 -0.26 0.54 7.50 -1.97 -3.19 115.11 117.73 2d2a h GLN 11 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2d2a h GLN 11 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 2d2a h GLN 11 CO 0.00 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.08 2d2a n ASP 12 N -2.69 3.47 -4.78 1.46 8.00 -0.72 -5.03 116.55 116.26 2d2a n ASP 12 Ca 0.04 -2.72 -0.33 0.00 0.71 0.00 0.00 54.79 52.48 2d2a n ASP 12 Cb 0.50 -0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2d2a n ASP 12 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2d2a s PHE 13 N -2.28 2.72 -0.34 1.24 0.40 -1.21 -5.01 117.98 113.49 2d2a s PHE 13 Ca 0.35 1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 58.05 2d2a s PHE 13 Cb 0.27 -3.15 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 2d2a s PHE 13 CO 0.10 -1.52 0.45 0.00 0.70 0.00 0.00 175.22 174.95 2d2a s ALA 14 N -2.26 3.49 0.20 5.36 0.00 -1.26 -5.07 121.76 122.22 2d2a s ALA 14 Ca 0.67 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2d2a s ALA 14 Cb -0.20 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2d2a s ALA 14 CO 0.38 -1.15 0.43 -1.58 0.00 0.00 0.00 175.76 173.84 2d2a s TRP 15 N 2.24 3.48 0.28 0.00 0.52 -1.26 -4.97 118.94 119.22 2d2a s TRP 15 Ca 0.16 0.50 0.09 0.00 0.02 0.00 0.00 56.10 56.87 2d2a s TRP 15 Cb -0.16 -1.98 0.40 0.00 -1.15 0.00 0.00 33.47 30.58 2d2a s TRP 15 CO 0.12 0.34 1.65 0.37 0.02 0.00 0.00 176.95 179.45 2d2a h GLN 16 N 2.22 0.09 0.00 4.98 4.15 -1.97 -3.49 115.11 121.08 2d2a h GLN 16 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2d2a h GLN 16 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2d2a h GLN 16 CO 0.69 0.62 0.00 0.41 -1.93 0.00 0.00 178.83 178.62 2d2a n GLY 17 N 0.08 -1.71 3.93 2.39 0.00 -1.26 -4.82 105.19 103.80 2d2a n GLY 17 Ca -0.02 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 2d2a n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d2a s LEU 18 N -3.25 4.02 0.28 0.99 1.43 -1.26 -2.60 118.68 118.28 2d2a s LEU 18 Ca 0.00 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 2d2a s LEU 18 Cb 0.00 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 2d2a s LEU 18 CO 0.00 -0.27 -0.09 0.42 0.23 0.00 0.00 176.35 176.65 2d2a s THR 19 N -2.25 1.84 -0.06 5.49 -4.23 -0.90 -4.96 115.64 110.57 2d2a s THR 19 Ca 0.41 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2d2a s THR 19 Cb -0.10 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2d2a s THR 19 CO 0.34 -0.32 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.17 2d2a s LEU 20 N -3.47 1.89 0.63 4.79 1.02 -1.26 -1.85 118.68 120.43 2d2a s LEU 20 Ca 0.29 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 2d2a s LEU 20 Cb 0.02 -1.04 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 2d2a s LEU 20 CO 0.12 0.13 1.04 0.42 0.02 0.00 0.00 176.35 178.09 2d2a s THR 21 N 0.22 4.24 0.51 5.49 -4.23 -0.44 -4.83 115.64 116.60 2d2a s THR 21 Ca -0.09 0.85 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 2d2a s THR 21 Cb -0.14 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 70.46 2d2a s THR 21 CO 0.04 -0.83 2.07 1.55 -0.54 0.00 0.00 174.62 176.90 2d2a h PRO 22 N -0.11 0.08 -0.14 3.99 0.13 -2.00 -1.33 132.00 132.62 2d2a h PRO 22 Ca -0.45 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2d2a h PRO 22 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d2a h PRO 22 CO 0.59 0.05 -0.56 0.00 -0.23 0.00 0.00 178.00 177.85 2d2a h ALA 23 N 1.85 0.76 -0.22 -0.56 0.00 -1.91 -2.92 119.26 116.25 2d2a h ALA 23 Ca 0.14 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2d2a h ALA 23 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2d2a h ALA 23 CO -0.01 0.70 -0.60 0.00 0.00 0.00 0.00 179.25 179.33 2d2a h ALA 24 N 1.06 0.51 -0.29 0.00 0.00 -1.61 -3.04 119.26 115.88 2d2a h ALA 24 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2d2a h ALA 24 Cb 1.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2d2a h ALA 24 CO 0.10 0.69 0.05 0.00 0.00 0.00 0.00 179.25 180.09 2d2a h ALA 25 N 0.75 0.30 -0.16 0.00 0.00 -1.20 -1.69 119.26 117.26 2d2a h ALA 25 Ca -0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2d2a h ALA 25 Cb 1.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2d2a h ALA 25 CO 0.12 -0.36 -0.38 -0.84 0.00 0.00 0.00 179.25 177.79 2d2a h ILE 26 N 0.16 1.30 0.00 0.00 3.07 -1.53 -1.28 117.51 119.22 2d2a h ILE 26 Ca 0.14 -1.49 -0.11 0.00 1.55 0.00 0.00 64.86 64.95 2d2a h ILE 26 Cb 0.15 1.59 -0.02 0.00 -0.27 0.00 0.00 36.82 38.28 2d2a h ILE 26 CO -0.19 0.45 -0.53 0.45 -1.05 0.00 0.00 178.15 177.29 2d2a h HIS 27 N 0.30 0.00 -0.07 0.16 3.86 -1.38 0.19 115.15 118.21 2d2a h HIS 27 Ca 0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2d2a h HIS 27 Cb 0.81 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 2d2a h HIS 27 CO 0.02 0.53 -0.07 0.82 0.86 0.00 0.00 177.93 180.09 2d2a h ILE 28 N 0.00 1.37 -0.84 2.45 1.08 -1.05 0.81 117.51 121.33 2d2a h ILE 28 Ca -0.01 -1.23 0.08 0.00 -0.39 0.00 0.00 64.86 63.31 2d2a h ILE 28 Cb 1.05 2.03 -0.06 0.00 -3.07 0.00 0.00 36.82 36.78 2d2a h ILE 28 CO 0.07 0.34 0.54 0.03 -0.69 0.00 0.00 178.15 178.45 2d2a h ARG 29 N -0.26 0.84 -0.25 2.37 3.08 -0.92 0.16 114.38 119.40 2d2a h ARG 29 Ca 0.01 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2d2a h ARG 29 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2d2a h ARG 29 CO 0.02 0.56 -0.46 0.93 -1.07 0.00 0.00 179.97 179.95 2d2a h GLU 30 N 0.87 0.65 -0.27 0.04 5.08 -0.37 0.29 114.58 120.87 2d2a h GLU 30 Ca 0.37 -0.36 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2d2a h GLU 30 Cb 0.31 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2d2a h GLU 30 CO -0.14 0.97 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.20 2d2a h LEU 31 N 0.52 0.95 -0.31 1.33 3.38 0.10 -3.02 115.31 118.26 2d2a h LEU 31 Ca 0.03 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 2d2a h LEU 31 Cb 1.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2d2a h LEU 31 CO 0.09 1.32 -0.21 0.58 0.09 0.00 0.00 178.44 180.31 2d2a h VAL 32 N 0.65 1.30 -0.05 1.22 2.07 -0.61 -3.08 116.25 117.75 2d2a h VAL 32 Ca 0.01 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 2d2a h VAL 32 Cb 1.17 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2d2a h VAL 32 CO 0.12 0.43 -0.05 0.00 0.02 0.00 0.00 177.57 178.10 2d2a h ALA 33 N 0.74 1.83 0.00 1.67 0.00 -0.96 -1.67 119.26 120.87 2d2a h ALA 33 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2d2a h ALA 33 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2d2a h ALA 33 CO 0.06 0.13 -0.17 -0.22 0.00 0.00 0.00 179.25 179.04 2d2a h LYS 34 N 0.07 0.00 -4.65 0.00 3.64 -1.44 -3.40 116.57 110.79 2d2a h LYS 34 Ca 0.02 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.71 2d2a h LYS 34 Cb 0.13 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.62 2d2a h LYS 34 CO 0.01 0.17 -0.64 -0.65 -2.27 0.00 0.00 179.45 176.07 2d2a s GLN 35 N -3.70 2.22 0.31 1.90 -1.52 -0.63 -5.08 119.66 113.15 2d2a s GLN 35 Ca 0.00 -1.51 -0.29 0.00 -1.95 0.00 0.00 55.36 51.61 2d2a s GLN 35 Cb 0.10 -3.36 -0.11 0.00 -0.22 0.00 0.00 33.01 29.43 2d2a s GLN 35 CO 0.61 -0.82 1.46 -1.25 -0.25 0.00 0.00 175.29 175.04 2d2a s PRO 36 N 1.20 4.21 0.00 2.91 0.04 -1.26 -2.03 135.00 140.07 2d2a s PRO 36 Ca 0.01 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2d2a s PRO 36 Cb -0.21 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2d2a s PRO 36 CO -0.02 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2d2a n GLY 37 N 1.43 3.41 3.75 0.56 0.00 -1.26 -5.05 105.19 108.02 2d2a n GLY 37 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2d2a n GLY 37 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d2a s MET 38 N -0.82 4.59 -0.00 1.61 0.00 -0.86 -4.52 119.30 119.29 2d2a s MET 38 Ca 0.00 1.22 0.07 0.00 0.00 0.00 0.00 55.69 56.98 2d2a s MET 38 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 34.83 31.40 2d2a s MET 38 CO 0.00 0.34 0.30 1.33 0.00 0.00 0.00 175.02 176.98 2d2a n VAL 39 N 2.48 0.00 -2.75 10.11 0.24 0.05 -4.86 118.33 123.60 2d2a n VAL 39 Ca -0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2d2a n VAL 39 Cb 0.49 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 2d2a n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d2a n GLY 40 N 1.28 -1.36 3.49 7.63 0.00 -1.24 -4.42 105.19 110.56 2d2a n GLY 40 Ca 0.01 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 2d2a n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d2a s VAL 41 N -2.83 2.63 -0.14 1.61 -7.23 -0.84 -1.06 120.40 112.54 2d2a s VAL 41 Ca 0.00 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2d2a s VAL 41 Cb 0.00 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2d2a s VAL 41 CO 0.00 -0.26 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.78 2d2a s ARG 42 N -3.14 3.26 -0.11 4.82 3.52 0.54 -0.27 118.95 127.58 2d2a s ARG 42 Ca 0.26 -0.74 -0.18 0.00 -0.13 0.00 0.00 55.73 54.95 2d2a s ARG 42 Cb -0.07 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2d2a s ARG 42 CO 0.14 0.09 0.48 -1.17 -0.81 0.00 0.00 175.30 174.02 2d2a s LEU 43 N 0.64 4.29 0.00 -0.88 0.20 0.43 -0.90 118.68 122.45 2d2a s LEU 43 Ca -0.08 0.83 0.06 0.00 0.69 0.00 0.00 54.13 55.63 2d2a s LEU 43 Cb -0.16 -2.69 -0.02 0.00 -0.43 0.00 0.00 46.19 42.89 2d2a s LEU 43 CO 0.03 0.02 0.26 0.61 -0.29 0.00 0.00 176.35 176.98 2d2a n GLY 44 N 3.15 2.99 3.26 7.98 0.00 0.16 -4.31 105.19 118.41 2d2a n GLY 44 Ca -0.07 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 2d2a n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d2a s VAL 45 N -3.13 1.34 0.11 1.61 -7.23 -1.26 -0.57 120.40 111.28 2d2a s VAL 45 Ca 0.34 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2d2a s VAL 45 Cb 0.01 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2d2a s VAL 45 CO 0.24 -0.51 0.03 -1.59 -0.31 0.00 0.00 175.10 172.95 2d2a s LYS 46 N -3.03 0.85 4.93 4.82 -2.85 0.12 -4.88 119.74 119.69 2d2a s LYS 46 Ca 0.12 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 2d2a s LYS 46 Cb -0.03 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2d2a s LYS 46 CO 0.03 -0.21 0.00 0.94 0.10 0.00 0.00 175.35 176.21 2d2a n GLN 47 N -0.04 0.00 -3.26 1.78 7.27 -1.26 -2.34 117.38 119.53 2d2a n GLN 47 Ca -0.08 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.87 2d2a n GLN 47 Cb 0.63 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.25 2d2a n GLN 47 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2d2a n GLY 52 N 0.00 -0.08 3.42 1.69 0.00 -1.26 -4.81 105.19 104.15 2d2a n GLY 52 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2d2a n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d2a s PHE 53 N -3.66 -0.01 0.00 1.61 -0.71 -1.26 -5.19 117.98 108.76 2d2a s PHE 53 Ca 0.03 -0.33 -0.17 0.00 -1.04 0.00 0.00 56.93 55.42 2d2a s PHE 53 Cb -0.02 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.06 2d2a s PHE 53 CO 0.34 -0.81 0.37 0.20 -1.34 0.00 0.00 175.22 173.98 2d2a s GLY 54 N -2.88 -0.21 0.24 1.99 0.00 -0.99 -4.95 107.32 100.53 2d2a s GLY 54 Ca 0.09 0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.93 2d2a s GLY 54 CO -0.05 0.14 0.87 -0.19 0.00 0.00 0.00 173.10 173.88 2d2a s TYR 55 N -1.70 3.85 0.02 1.90 1.51 -1.26 0.11 117.35 121.78 2d2a s TYR 55 Ca -0.11 1.75 0.03 0.00 -1.01 0.00 0.00 57.07 57.73 2d2a s TYR 55 Cb -0.03 -2.87 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 2d2a s TYR 55 CO 0.03 0.39 -0.08 0.14 -1.11 0.00 0.00 175.55 174.91 2d2a s VAL 56 N -1.33 0.64 -0.02 0.71 -7.23 0.27 -4.91 120.40 108.52 2d2a s VAL 56 Ca 0.42 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2d2a s VAL 56 Cb -0.22 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 2d2a s VAL 56 CO 0.27 -0.11 0.02 -0.76 -0.31 0.00 0.00 175.10 174.21 2d2a s LEU 57 N -0.95 3.62 0.10 1.32 1.43 -1.26 -0.67 118.68 122.27 2d2a s LEU 57 Ca -0.03 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2d2a s LEU 57 Cb -0.07 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2d2a s LEU 57 CO 0.00 0.30 -0.10 -0.62 0.23 0.00 0.00 176.35 176.16 2d2a s ASP 58 N -1.47 1.49 0.20 2.29 3.68 -0.08 -4.92 116.67 117.86 2d2a s ASP 58 Ca 0.19 -0.81 -0.20 0.00 2.13 0.00 0.00 52.55 53.85 2d2a s ASP 58 Cb -0.12 0.00 -0.08 0.00 -1.45 0.00 0.00 42.92 41.28 2d2a s ASP 58 CO 0.10 -0.25 0.71 -0.44 0.13 0.00 0.00 175.17 175.42 2d2a s SER 59 N -2.45 7.11 -0.10 -0.34 0.01 -1.26 -0.34 113.70 116.32 2d2a s SER 59 Ca 0.06 1.43 0.04 0.00 1.31 0.00 0.00 55.95 58.79 2d2a s SER 59 Cb -0.03 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2d2a s SER 59 CO 0.00 0.08 -0.24 -0.69 0.41 0.00 0.00 173.24 172.81 2d2a s VAL 60 N -1.43 2.05 -0.01 3.43 1.01 -0.22 -4.80 120.40 120.43 2d2a s VAL 60 Ca 0.40 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2d2a s VAL 60 Cb -0.18 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2d2a s VAL 60 CO 0.22 0.56 -0.08 -1.20 0.00 0.00 0.00 175.10 174.60 2d2a n SER 61 N 3.55 0.73 -4.27 3.32 7.64 -1.26 -0.77 113.62 122.56 2d2a n SER 61 Ca -0.19 0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.43 2d2a n SER 61 Cb 0.53 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 2d2a n SER 61 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2d2a s GLU 62 N -1.69 2.83 0.65 1.43 0.41 -1.26 -4.56 118.70 116.50 2d2a s GLU 62 Ca -0.06 -1.02 -0.17 0.00 -0.41 0.00 0.00 54.97 53.30 2d2a s GLU 62 Cb 0.01 -3.30 -0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2d2a s GLU 62 CO 0.09 -0.52 1.22 -1.25 -0.49 0.00 0.00 175.26 174.31 2d2a s PRO 63 N 1.41 2.60 0.73 0.39 0.04 -1.26 -5.00 135.00 133.91 2d2a s PRO 63 Ca -0.00 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2d2a s PRO 63 Cb -0.18 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2d2a s PRO 63 CO 0.01 -1.50 1.07 0.34 0.04 0.00 0.00 177.00 176.96 2d2a s ASP 64 N -1.76 5.11 0.02 6.66 2.15 -1.26 -5.00 116.67 122.60 2d2a s ASP 64 Ca 0.77 1.50 -0.27 0.00 0.43 0.00 0.00 52.55 54.98 2d2a s ASP 64 Cb -0.31 -2.33 -0.16 0.00 -0.30 0.00 0.00 42.92 39.82 2d2a s ASP 64 CO 0.39 -1.60 1.28 0.07 -0.17 0.00 0.00 175.17 175.14 2d2a h LYS 65 N -0.83 -0.58 -2.12 4.34 2.10 -2.04 -3.24 116.57 114.21 2d2a h LYS 65 Ca -0.45 0.04 -0.39 0.00 -2.00 0.00 0.00 60.65 57.85 2d2a h LYS 65 Cb 1.23 0.13 -0.11 0.00 -0.90 0.00 0.00 32.23 32.58 2d2a h LYS 65 CO 0.58 -0.28 0.43 -0.25 -2.00 0.00 0.00 179.45 177.94 2d2a n ASP 66 N -5.25 6.19 -4.20 7.07 9.92 -1.26 -4.85 116.55 124.17 2d2a n ASP 66 Ca -0.11 -2.82 -0.28 0.00 -0.53 0.00 0.00 54.79 51.05 2d2a n ASP 66 Cb 0.30 -1.35 -0.16 0.00 -0.64 0.00 0.00 41.12 39.26 2d2a n ASP 66 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2d2a s ASP 67 N 1.25 2.54 0.18 -2.24 1.11 -1.23 -1.91 116.67 116.38 2d2a s ASP 67 Ca 0.63 -0.42 -0.03 0.00 0.18 0.00 0.00 52.55 52.91 2d2a s ASP 67 Cb 0.33 -0.65 -0.05 0.00 1.07 0.00 0.00 42.92 43.61 2d2a s ASP 67 CO -0.10 0.20 0.40 -0.76 1.18 0.00 0.00 175.17 176.09 2d2a s LEU 68 N -0.10 4.23 -0.08 1.23 1.43 0.90 -4.90 118.68 121.39 2d2a s LEU 68 Ca -0.02 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 2d2a s LEU 68 Cb -0.12 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 2d2a s LEU 68 CO 0.02 -0.01 -0.24 -0.22 0.23 0.00 0.00 176.35 176.14 2d2a s LEU 69 N -2.99 2.13 -0.17 1.79 2.96 -1.26 -1.30 118.68 119.85 2d2a s LEU 69 Ca 0.40 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2d2a s LEU 69 Cb -0.12 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.21 2d2a s LEU 69 CO 0.27 0.21 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.06 2d2a s PHE 70 N 0.03 2.05 0.10 5.38 0.40 -0.22 -5.00 117.98 120.72 2d2a s PHE 70 Ca -0.09 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.01 2d2a s PHE 70 Cb -0.15 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2d2a s PHE 70 CO 0.06 -0.66 0.09 -1.21 0.70 0.00 0.00 175.22 174.19 2d2a s GLU 71 N 1.52 2.90 -0.30 0.44 2.02 -1.26 -1.34 118.70 122.67 2d2a s GLU 71 Ca 0.01 -0.72 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 2d2a s GLU 71 Cb -0.15 -2.72 0.17 0.00 0.10 0.00 0.00 34.13 31.54 2d2a s GLU 71 CO -0.09 0.55 1.00 -1.58 0.02 0.00 0.00 175.26 175.16 2d2a s HIS 72 N -1.46 -0.66 -1.48 1.61 2.46 -0.97 -4.97 115.29 109.81 2d2a s HIS 72 Ca 0.30 1.04 -0.12 0.00 0.47 0.00 0.00 55.06 56.74 2d2a s HIS 72 Cb -0.12 0.36 0.06 0.00 -0.13 0.00 0.00 32.58 32.75 2d2a s HIS 72 CO 0.22 -0.34 1.04 -0.25 -2.47 0.00 0.00 174.74 172.94 2d2a n ASP 73 N 5.07 -5.13 0.00 9.88 8.00 -1.26 -0.98 116.55 132.13 2d2a n ASP 73 Ca -0.08 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2d2a n ASP 73 Cb 0.53 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 2d2a n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d2a n GLY 74 N -1.78 0.43 3.58 0.44 0.00 -1.26 -4.91 105.19 101.69 2d2a n GLY 74 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2d2a n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d2a s ALA 75 N -2.04 3.48 -0.29 4.61 0.00 -0.15 -4.85 121.76 122.51 2d2a s ALA 75 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.79 2d2a s ALA 75 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 2d2a s ALA 75 CO 0.00 -0.45 0.25 0.15 0.00 0.00 0.00 175.76 175.71 2d2a s LYS 76 N 1.56 3.86 -0.22 0.00 1.02 -1.26 -2.30 119.74 122.40 2d2a s LYS 76 Ca 0.07 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 2d2a s LYS 76 Cb -0.15 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 2d2a s LYS 76 CO 0.08 -0.27 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.98 2d2a s LEU 77 N 1.84 2.82 -0.14 3.17 2.96 -0.45 -1.99 118.68 126.88 2d2a s LEU 77 Ca 0.09 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2d2a s LEU 77 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2d2a s LEU 77 CO 0.11 -0.06 0.13 -0.36 -1.32 0.00 0.00 176.35 174.85 2d2a s PHE 78 N 1.36 3.52 -0.06 5.38 0.08 0.63 -1.05 117.98 127.84 2d2a s PHE 78 Ca 0.03 0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.54 2d2a s PHE 78 Cb -0.15 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2d2a s PHE 78 CO -0.06 0.60 -0.08 0.08 -0.10 0.00 0.00 175.22 175.66 2d2a s VAL 79 N -0.63 0.82 0.60 -0.44 1.01 -0.42 -0.43 120.40 120.92 2d2a s VAL 79 Ca 0.13 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2d2a s VAL 79 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2d2a s VAL 79 CO 0.02 0.30 1.11 -2.16 0.00 0.00 0.00 175.10 174.37 2d2a s PRO 80 N 1.00 3.13 0.17 2.72 0.04 -1.26 -0.07 135.00 140.72 2d2a s PRO 80 Ca -0.09 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2d2a s PRO 80 Cb -0.15 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2d2a s PRO 80 CO 0.00 -1.00 1.80 -0.07 0.04 0.00 0.00 177.00 177.77 2d2a h LEU 81 N 0.64 0.42 -1.86 -3.56 3.38 -1.75 -2.56 115.31 110.01 2d2a h LEU 81 Ca -0.48 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2d2a h LEU 81 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2d2a h LEU 81 CO 0.56 0.30 0.42 0.06 0.09 0.00 0.00 178.44 179.86 2d2a h GLN 82 N 0.53 0.00 0.00 1.13 -0.00 -1.93 -0.68 115.11 114.17 2d2a h GLN 82 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2d2a h GLN 82 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2d2a h GLN 82 CO -0.10 0.00 -1.61 0.00 -0.00 0.00 0.00 178.83 177.12 2d2a n ALA 83 N -2.00 2.82 -0.13 0.06 0.00 -0.97 -4.49 120.51 115.81 2d2a n ALA 83 Ca 0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 2d2a n ALA 83 Cb 0.51 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.12 2d2a n ALA 83 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2d2a h MET 84 N 0.00 0.14 -0.05 0.00 2.86 -1.06 0.75 114.93 117.57 2d2a h MET 84 Ca 0.00 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2d2a h MET 84 Cb 0.97 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 2d2a h MET 84 CO 0.00 0.09 0.14 -1.00 1.06 0.00 0.00 176.91 177.21 2d2a h PRO 85 N 0.15 0.00 0.00 -0.22 0.13 -1.79 -1.77 132.00 128.50 2d2a h PRO 85 Ca 0.21 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.98 2d2a h PRO 85 Cb 0.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.35 2d2a h PRO 85 CO -0.32 0.00 -2.28 1.19 -0.23 0.00 0.00 178.00 176.36 2d2a n PHE 86 N -3.30 0.18 -0.56 1.56 3.01 0.05 -4.66 117.46 113.75 2d2a n PHE 86 Ca -0.01 0.06 0.04 0.00 1.01 0.00 0.00 57.45 58.55 2d2a n PHE 86 Cb 0.22 -1.03 0.06 0.00 -0.01 0.00 0.00 39.48 38.72 2d2a n PHE 86 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 2d2a n ILE 87 N -2.84 1.27 -1.75 4.37 -6.64 -0.04 -4.95 119.36 108.78 2d2a n ILE 87 Ca -0.31 -1.42 -0.41 0.00 -1.77 0.00 0.00 62.75 58.84 2d2a n ILE 87 Cb 1.13 0.23 0.01 0.00 -1.44 0.00 0.00 39.64 39.56 2d2a n ILE 87 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2d2a n ASP 88 N -0.84 3.32 0.00 7.28 2.03 -0.68 -1.87 116.55 125.80 2d2a n ASP 88 Ca 0.06 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2d2a n ASP 88 Cb 0.44 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 2d2a n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d2a n GLY 89 N 0.59 2.20 3.77 0.27 0.00 -1.07 -4.71 105.19 106.23 2d2a n GLY 89 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2d2a n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d2a s THR 90 N -2.54 2.07 -0.12 2.61 2.01 -0.78 -4.64 115.64 114.24 2d2a s THR 90 Ca 0.00 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2d2a s THR 90 Cb 0.00 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2d2a s THR 90 CO 0.00 0.01 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.19 2d2a s GLU 91 N -2.27 3.34 -0.23 4.92 2.12 0.36 -2.12 118.70 124.82 2d2a s GLU 91 Ca 0.57 -0.54 -0.07 0.00 0.36 0.00 0.00 54.97 55.28 2d2a s GLU 91 Cb -0.45 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2d2a s GLU 91 CO 0.60 0.39 0.06 0.08 -0.54 0.00 0.00 175.26 175.84 2d2a s VAL 92 N -0.05 4.35 0.44 3.70 1.01 -0.77 -0.01 120.40 129.07 2d2a s VAL 92 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2d2a s VAL 92 Cb -0.13 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2d2a s VAL 92 CO 0.03 0.37 0.01 -0.62 0.00 0.00 0.00 175.10 174.89 2d2a s ASP 93 N 1.31 3.90 -0.01 3.32 2.15 0.73 -1.33 116.67 126.74 2d2a s ASP 93 Ca 0.05 -1.47 0.02 0.00 0.43 0.00 0.00 52.55 51.58 2d2a s ASP 93 Cb -0.15 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 2d2a s ASP 93 CO 0.03 -0.60 -0.06 0.12 -0.17 0.00 0.00 175.17 174.49 2d2a s PHE 94 N -2.79 0.62 -0.06 -5.34 5.36 -1.26 -1.09 117.98 113.42 2d2a s PHE 94 Ca 0.25 -0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.04 2d2a s PHE 94 Cb 0.07 -0.44 0.02 0.00 -0.34 0.00 0.00 43.02 42.33 2d2a s PHE 94 CO 0.13 -0.05 0.16 0.08 -1.46 0.00 0.00 175.22 174.08 2d2a s VAL 95 N 0.06 -0.00 -0.20 3.12 1.01 -0.39 -4.80 120.40 119.19 2d2a s VAL 95 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2d2a s VAL 95 Cb -0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2d2a s VAL 95 CO -0.00 0.01 0.21 -0.60 0.00 0.00 0.00 175.10 174.71 2d2a s ARG 96 N 0.16 4.17 -0.43 2.72 3.52 -1.26 -0.45 118.95 127.38 2d2a s ARG 96 Ca -0.01 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2d2a s ARG 96 Cb -0.02 -3.47 0.13 0.00 -1.56 0.00 0.00 34.95 30.03 2d2a s ARG 96 CO -0.00 0.17 0.21 -1.21 -0.81 0.00 0.00 175.30 173.66 2d2a s GLU 97 N 0.72 1.34 7.59 5.12 2.02 0.17 -4.99 118.70 130.67 2d2a s GLU 97 Ca 0.11 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.12 2d2a s GLU 97 Cb -0.13 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2d2a s GLU 97 CO 0.02 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.60 2d2a n GLY 98 N 3.68 2.99 0.03 -1.39 0.00 -1.26 -1.11 105.19 108.14 2d2a n GLY 98 Ca 0.06 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2d2a n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d2a n LEU 99 N 0.00 0.18 -4.73 0.99 4.77 -1.26 -4.80 117.00 112.16 2d2a n LEU 99 Ca 0.00 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 2d2a n LEU 99 Cb 0.00 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 2d2a n LEU 99 CO 0.00 0.04 0.46 0.20 -1.33 0.00 0.00 177.39 176.76 2d2a s ASN 100 N -2.73 7.12 -0.30 -1.43 0.02 -0.26 -5.01 114.94 112.34 2d2a s ASN 100 Ca 0.22 1.35 -0.04 0.00 -1.02 0.00 0.00 52.86 53.37 2d2a s ASN 100 Cb 0.19 -2.45 0.04 0.00 0.02 0.00 0.00 41.25 39.05 2d2a s ASN 100 CO 0.51 -0.09 0.03 -1.10 0.02 0.00 0.00 177.10 176.47 2d2a s GLN 101 N 0.52 2.61 -0.06 -0.60 -0.21 -1.26 0.42 119.66 121.08 2d2a s GLN 101 Ca 0.40 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.65 2d2a s GLN 101 Cb -0.19 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.58 2d2a s GLN 101 CO 0.21 -0.58 -0.14 -1.50 -2.12 0.00 0.00 175.29 171.16 2d2a s ILE 102 N 1.33 1.23 0.06 1.08 1.10 0.40 -4.99 121.20 121.41 2d2a s ILE 102 Ca -0.03 -0.55 -0.24 0.00 -0.51 0.00 0.00 60.65 59.32 2d2a s ILE 102 Cb -0.19 -1.10 -0.06 0.00 0.15 0.00 0.00 42.46 41.26 2d2a s ILE 102 CO -0.00 0.37 0.74 -0.36 -2.11 0.00 0.00 174.94 173.58 2d2a s PHE 103 N 0.50 3.76 -0.03 3.50 0.40 -1.26 -1.27 117.98 123.58 2d2a s PHE 103 Ca -0.12 1.46 0.05 0.00 -0.60 0.00 0.00 56.93 57.72 2d2a s PHE 103 Cb -0.15 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.58 2d2a s PHE 103 CO 0.04 0.33 -0.18 0.21 0.70 0.00 0.00 175.22 176.31 2d2a s LYS 104 N -0.26 2.33 -0.22 0.44 2.47 -0.25 -4.98 119.74 119.28 2d2a s LYS 104 Ca 0.37 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.98 2d2a s LYS 104 Cb -0.21 -2.26 0.03 0.00 -1.46 0.00 0.00 37.83 33.94 2d2a s LYS 104 CO 0.23 0.59 -0.13 -0.06 0.16 0.00 0.00 175.35 176.15 2d2a s PHE 105 N -0.73 2.98 -0.44 4.03 0.40 -1.26 -0.19 117.98 122.77 2d2a s PHE 105 Ca 0.11 -1.70 -0.15 0.00 -0.60 0.00 0.00 56.93 54.60 2d2a s PHE 105 Cb -0.10 -1.98 0.05 0.00 0.51 0.00 0.00 43.02 41.49 2d2a s PHE 105 CO 0.01 -0.78 0.35 -1.01 0.70 0.00 0.00 175.22 174.49 2d2a s HIS 106 N 1.28 3.24 -0.16 0.36 3.76 0.99 -4.94 115.29 119.82 2d2a s HIS 106 Ca 0.01 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.10 2d2a s HIS 106 Cb -0.16 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 2d2a s HIS 106 CO -0.08 -0.70 -0.01 1.21 -0.85 0.00 0.00 174.74 174.31 2d2a s ASN 107 N 2.15 4.96 0.50 1.40 3.84 -1.26 -0.49 114.94 126.04 2d2a s ASN 107 Ca 0.04 -0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.24 2d2a s ASN 107 Cb -0.22 -1.82 1.32 0.00 -0.55 0.00 0.00 41.25 39.98 2d2a s ASN 107 CO 0.08 0.16 2.07 1.55 -2.79 0.00 0.00 177.10 178.17 2d2a h PRO 108 N 6.77 0.00 -1.68 0.43 0.13 -1.84 -1.11 132.00 134.70 2d2a h PRO 108 Ca -0.33 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.52 2d2a h PRO 108 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2d2a h PRO 108 CO 0.64 0.12 0.31 1.63 -0.23 0.00 0.00 178.00 180.48 2d2a n LYS 109 N -3.96 1.74 0.00 0.86 5.02 -1.26 -5.17 118.16 115.38 2d2a n LYS 109 Ca -0.02 -1.35 0.14 0.00 -2.02 0.00 0.00 58.31 55.06 2d2a n LYS 109 Cb 0.21 -1.58 0.60 0.00 -0.02 0.00 0.00 35.03 34.24 2d2a n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88