#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnj s ASP 2 N 0.00 6.66 -0.00 6.12 1.01 -1.26 0.91 116.67 130.10 2fnj s ASP 2 Ca 0.00 0.81 0.07 0.00 0.71 0.00 0.00 52.55 54.14 2fnj s ASP 2 Cb 0.00 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 2fnj s ASP 2 CO 0.00 0.20 -0.23 0.68 0.21 0.00 0.00 175.17 176.03 2fnj s VAL 3 N -1.34 1.82 -0.15 -1.27 -7.23 0.82 -4.30 120.40 108.76 2fnj s VAL 3 Ca 0.31 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2fnj s VAL 3 Cb -0.14 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2fnj s VAL 3 CO 0.17 0.45 -0.05 -0.36 -0.31 0.00 0.00 175.10 175.00 2fnj s PHE 4 N -0.60 3.00 0.31 2.82 0.40 0.33 -1.32 117.98 122.92 2fnj s PHE 4 Ca 0.09 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 2fnj s PHE 4 Cb -0.09 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 2fnj s PHE 4 CO -0.00 -0.05 0.10 -0.51 0.70 0.00 0.00 175.22 175.46 2fnj s LEU 5 N 0.35 1.85 -0.14 -0.37 1.43 0.75 -1.00 118.68 121.55 2fnj s LEU 5 Ca -0.05 -1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 51.58 2fnj s LEU 5 Cb -0.14 -0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.03 2fnj s LEU 5 CO 0.03 -0.75 -0.03 -0.04 0.23 0.00 0.00 176.35 175.78 2fnj s MET 6 N -3.91 1.17 -0.33 1.70 -1.94 -0.26 -2.02 119.30 113.71 2fnj s MET 6 Ca 0.35 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 53.86 2fnj s MET 6 Cb 0.07 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 35.17 2fnj s MET 6 CO 0.15 -0.40 0.34 0.42 -0.01 0.00 0.00 175.02 175.51 2fnj s ILE 7 N 1.75 5.19 -0.02 2.53 1.01 0.44 -0.79 121.20 131.31 2fnj s ILE 7 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2fnj s ILE 7 Cb -0.14 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 2fnj s ILE 7 CO -0.07 -0.04 -0.24 -0.13 0.00 0.00 0.00 174.94 174.46 2fnj s ARG 8 N 1.97 1.96 -0.14 2.79 0.52 0.49 -0.95 118.95 125.59 2fnj s ARG 8 Ca 0.11 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 2fnj s ARG 8 Cb -0.17 -1.89 0.06 0.00 0.52 0.00 0.00 34.95 33.47 2fnj s ARG 8 CO 0.11 0.51 0.31 0.50 0.02 0.00 0.00 175.30 176.76 2fnj s ARG 9 N -0.55 0.26 4.43 3.54 3.52 -0.70 -0.70 118.95 128.75 2fnj s ARG 9 Ca 0.09 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 2fnj s ARG 9 Cb -0.09 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 2fnj s ARG 9 CO -0.01 -0.19 0.00 0.72 -0.81 0.00 0.00 175.30 175.01 2fnj n HIS 10 N 4.51 0.00 -1.32 5.12 8.25 0.20 -0.29 115.22 131.70 2fnj n HIS 10 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2fnj n HIS 10 Cb 0.53 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.85 2fnj n HIS 10 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2fnj n LYS 11 N 6.01 2.06 -4.54 -0.41 5.02 -1.26 -0.49 118.16 124.54 2fnj n LYS 11 Ca 0.00 -3.07 -0.34 0.00 -2.02 0.00 0.00 58.31 52.89 2fnj n LYS 11 Cb 0.00 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.09 2fnj n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2fnj s THR 12 N -3.12 3.68 -0.09 -0.18 2.01 0.60 -5.09 115.64 113.45 2fnj s THR 12 Ca 0.43 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 2fnj s THR 12 Cb 0.38 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 70.36 2fnj s THR 12 CO 0.02 0.53 0.03 -0.89 -0.69 0.00 0.00 174.62 173.62 2fnj s THR 13 N -0.01 0.23 -0.23 -0.82 2.01 -1.26 -1.72 115.64 113.84 2fnj s THR 13 Ca -0.00 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 2fnj s THR 13 Cb -0.13 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2fnj s THR 13 CO 0.03 0.13 0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 2fnj s ILE 14 N 2.02 5.10 -0.27 1.82 1.01 -0.13 -4.90 121.20 125.86 2fnj s ILE 14 Ca 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.63 2fnj s ILE 14 Cb -0.13 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2fnj s ILE 14 CO -0.05 0.36 0.36 -0.36 0.00 0.00 0.00 174.94 175.25 2fnj s PHE 15 N 1.03 3.25 0.25 3.97 0.40 -1.26 -0.42 117.98 125.21 2fnj s PHE 15 Ca 0.06 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 56.60 2fnj s PHE 15 Cb -0.14 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.86 2fnj s PHE 15 CO 0.04 -0.21 0.65 -0.08 0.70 0.00 0.00 175.22 176.32 2fnj s THR 16 N 2.00 0.00 0.21 0.64 -1.32 -0.86 -5.03 115.64 111.29 2fnj s THR 16 Ca 0.15 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 59.78 2fnj s THR 16 Cb -0.16 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.90 2fnj s THR 16 CO 0.10 -0.01 -0.17 1.51 -2.21 0.00 0.00 174.62 173.84 2fnj s ASP 17 N -2.91 2.85 0.09 8.08 -4.77 -1.26 -0.18 116.67 118.56 2fnj s ASP 17 Ca 0.11 -0.98 -0.14 0.00 -3.30 0.00 0.00 52.55 48.24 2fnj s ASP 17 Cb -0.04 -0.18 0.02 0.00 -1.09 0.00 0.00 42.92 41.63 2fnj s ASP 17 CO 0.04 -0.08 0.34 0.00 0.70 0.00 0.00 175.17 176.17 2fnj s ALA 18 N -2.63 -0.75 0.39 2.11 0.00 -0.43 -4.97 121.76 115.48 2fnj s ALA 18 Ca 0.23 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 2fnj s ALA 18 Cb -0.03 0.52 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 2fnj s ALA 18 CO 0.09 -0.54 1.10 0.15 0.00 0.00 0.00 175.76 176.56 2fnj s LYS 19 N -3.33 4.17 0.53 0.00 -0.14 -1.26 -0.13 119.74 119.59 2fnj s LYS 19 Ca 0.00 1.68 0.22 0.00 -1.36 0.00 0.00 55.97 56.52 2fnj s LYS 19 Cb 0.01 -2.67 1.45 0.00 -1.68 0.00 0.00 37.83 34.94 2fnj s LYS 19 CO -0.08 -0.17 2.15 1.49 -0.76 0.00 0.00 175.35 177.97 2fnj h GLU 20 N 2.71 0.00 0.00 1.68 4.81 0.21 -1.31 114.58 122.68 2fnj h GLU 20 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2fnj h GLU 20 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2fnj h GLU 20 CO 0.63 0.05 -0.21 -1.13 -0.73 0.00 0.00 179.01 177.62 2fnj n SER 21 N -4.11 0.54 -4.73 1.04 3.41 -1.26 -0.61 113.62 107.90 2fnj n SER 21 Ca -0.03 0.34 -0.31 0.00 -0.26 0.00 0.00 58.87 58.62 2fnj n SER 21 Cb 0.14 -0.36 0.12 0.00 -0.26 0.00 0.00 64.21 63.85 2fnj n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2fnj s SER 22 N -3.88 3.92 0.28 4.04 1.04 -0.50 -4.64 113.70 113.96 2fnj s SER 22 Ca 0.10 1.85 0.05 0.00 0.48 0.00 0.00 55.95 58.44 2fnj s SER 22 Cb 0.15 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 2fnj s SER 22 CO 0.62 -2.42 0.41 0.42 0.98 0.00 0.00 173.24 173.25 2fnj s THR 23 N -2.84 4.89 0.26 2.02 -4.23 -1.26 0.10 115.64 114.58 2fnj s THR 23 Ca 0.63 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 2fnj s THR 23 Cb -0.19 -3.72 0.26 0.00 1.34 0.00 0.00 72.50 70.19 2fnj s THR 23 CO 0.57 -0.29 1.87 0.58 -0.54 0.00 0.00 174.62 176.81 2fnj h VAL 24 N 1.06 1.07 -0.64 2.29 2.07 -1.20 -0.95 116.25 119.95 2fnj h VAL 24 Ca -0.50 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 2fnj h VAL 24 Cb 1.24 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2fnj h VAL 24 CO 0.59 0.21 0.06 0.15 0.02 0.00 0.00 177.57 178.59 2fnj h PHE 25 N 1.13 1.17 -0.33 1.57 3.57 -1.62 -2.05 116.94 120.37 2fnj h PHE 25 Ca 0.43 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2fnj h PHE 25 Cb 0.19 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2fnj h PHE 25 CO -0.01 1.00 0.03 0.93 -2.23 0.00 0.00 178.31 178.04 2fnj h GLU 26 N 1.00 0.49 -0.37 1.11 5.08 -1.50 -1.80 114.58 118.58 2fnj h GLU 26 Ca 0.19 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2fnj h GLU 26 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fnj h GLU 26 CO 0.02 0.50 -0.27 1.25 -1.00 0.00 0.00 179.01 179.51 2fnj h LEU 27 N 0.48 0.81 -1.53 1.33 5.85 -0.82 -2.31 115.31 119.12 2fnj h LEU 27 Ca 0.11 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2fnj h LEU 27 Cb 0.27 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2fnj h LEU 27 CO 0.00 1.03 0.24 0.11 -0.34 0.00 0.00 178.44 179.49 2fnj h LYS 28 N 0.67 0.55 -0.15 1.25 1.57 -0.65 0.48 116.57 120.30 2fnj h LYS 28 Ca 0.08 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2fnj h LYS 28 Cb 0.80 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2fnj h LYS 28 CO 0.07 0.40 -0.34 0.00 -0.57 0.00 0.00 179.45 179.01 2fnj h ARG 29 N 0.57 0.29 -0.23 3.15 2.47 -0.89 0.61 114.38 120.35 2fnj h ARG 29 Ca 0.15 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2fnj h ARG 29 Cb -0.01 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2fnj h ARG 29 CO -0.03 0.60 -0.02 0.82 0.56 0.00 0.00 179.97 181.91 2fnj h ILE 30 N 0.25 1.26 -0.29 2.04 1.08 -0.49 -2.09 117.51 119.27 2fnj h ILE 30 Ca 0.03 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 2fnj h ILE 30 Cb 0.72 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 2fnj h ILE 30 CO 0.05 0.29 0.03 0.58 -0.69 0.00 0.00 178.15 178.42 2fnj h VAL 31 N 0.17 1.16 -0.51 1.67 2.07 -0.81 -2.46 116.25 117.53 2fnj h VAL 31 Ca 0.06 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2fnj h VAL 31 Cb 0.44 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2fnj h VAL 31 CO 0.01 0.21 0.14 -0.08 0.02 0.00 0.00 177.57 177.88 2fnj h GLU 32 N 0.42 0.81 0.00 1.57 4.81 -0.56 0.35 114.58 121.97 2fnj h GLU 32 Ca 0.10 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2fnj h GLU 32 Cb 0.23 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2fnj h GLU 32 CO 0.00 0.76 -0.10 0.78 -0.73 0.00 0.00 179.01 179.72 2fnj h GLY 33 N 0.70 0.00 0.00 1.92 0.00 -0.93 0.11 103.07 104.88 2fnj h GLY 33 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.22 2fnj h GLY 33 CO -0.00 0.00 -1.61 1.39 0.00 0.00 0.00 176.54 176.32 2fnj n ILE 34 N -3.39 1.52 1.11 2.60 5.41 -0.93 -4.58 119.36 121.10 2fnj n ILE 34 Ca -0.01 -0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.75 2fnj n ILE 34 Cb 0.28 -2.04 0.17 0.00 -0.71 0.00 0.00 39.64 37.34 2fnj n ILE 34 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2fnj n LEU 35 N -4.39 2.29 -3.60 1.39 4.77 0.12 -5.00 117.00 112.58 2fnj n LEU 35 Ca -0.36 -0.78 -0.22 0.00 -0.03 0.00 0.00 56.01 54.62 2fnj n LEU 35 Cb 0.70 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.85 2fnj n LEU 35 CO 0.13 0.39 0.14 0.29 -1.33 0.00 0.00 177.39 177.01 2fnj n LYS 36 N 0.58 -6.75 -4.31 3.23 4.76 0.39 -5.00 118.16 111.06 2fnj n LYS 36 Ca 0.13 0.78 -0.21 0.00 -2.87 0.00 0.00 58.31 56.14 2fnj n LYS 36 Cb 0.50 -5.73 -0.16 0.00 -1.84 0.00 0.00 35.03 27.80 2fnj n LYS 36 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2fnj s ARG 37 N -5.97 1.09 0.67 1.97 1.81 -1.25 -5.06 118.95 112.21 2fnj s ARG 37 Ca 0.31 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 53.94 2fnj s ARG 37 Cb -0.14 -1.00 0.00 0.00 -0.45 0.00 0.00 34.95 33.36 2fnj s ARG 37 CO 0.75 -0.03 1.21 -2.14 -0.68 0.00 0.00 175.30 174.41 2fnj s PRO 38 N 0.78 2.54 0.33 3.54 0.02 -1.26 -4.04 135.00 136.91 2fnj s PRO 38 Ca -0.12 1.78 0.09 0.00 0.02 0.00 0.00 61.00 62.77 2fnj s PRO 38 Cb -0.15 -1.88 0.85 0.00 0.02 0.00 0.00 34.50 33.34 2fnj s PRO 38 CO 0.01 -1.53 1.77 -1.35 -0.33 0.00 0.00 177.00 175.58 2fnj h PRO 39 N 0.25 0.63 0.00 5.54 0.11 -1.94 0.12 132.00 136.71 2fnj h PRO 39 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2fnj h PRO 39 Cb 1.30 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2fnj h PRO 39 CO 0.52 0.42 -0.02 1.05 -0.21 0.00 0.00 178.00 179.77 2fnj h GLU 40 N 0.65 0.00 -0.64 1.05 9.09 -1.98 -0.17 114.58 122.59 2fnj h GLU 40 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 2fnj h GLU 40 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2fnj h GLU 40 CO -0.37 0.02 0.00 0.39 0.05 0.00 0.00 179.01 179.10 2fnj n GLU 41 N -3.18 3.41 -4.32 1.06 1.02 0.43 -4.92 120.64 114.14 2fnj n GLU 41 Ca -0.02 -2.49 -0.25 0.00 -0.02 0.00 0.00 57.16 54.39 2fnj n GLU 41 Cb 0.18 -1.83 -0.13 0.00 -0.02 0.00 0.00 31.44 29.65 2fnj n GLU 41 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2fnj s GLN 42 N -1.83 1.17 -0.02 3.49 -0.21 -0.08 -1.57 119.66 120.61 2fnj s GLN 42 Ca 0.44 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.66 2fnj s GLN 42 Cb 0.29 -1.46 0.02 0.00 1.00 0.00 0.00 33.01 32.86 2fnj s GLN 42 CO 0.21 0.34 -0.00 1.03 -2.12 0.00 0.00 175.29 174.75 2fnj s ARG 43 N -1.88 0.29 0.00 2.91 0.52 -0.74 -4.99 118.95 115.07 2fnj s ARG 43 Ca 0.07 0.04 0.07 0.00 -0.52 0.00 0.00 55.73 55.40 2fnj s ARG 43 Cb -0.10 -0.44 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 2fnj s ARG 43 CO 0.04 -0.10 -0.23 -0.51 0.02 0.00 0.00 175.30 174.53 2fnj s LEU 44 N 0.82 2.30 0.13 2.53 1.43 -1.26 -1.58 118.68 123.06 2fnj s LEU 44 Ca -0.08 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2fnj s LEU 44 Cb -0.11 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2fnj s LEU 44 CO -0.01 0.30 -0.10 -0.31 0.23 0.00 0.00 176.35 176.46 2fnj s TYR 45 N -0.74 1.17 -0.34 0.29 1.51 -0.20 -0.08 117.35 118.97 2fnj s TYR 45 Ca 0.12 -0.77 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 2fnj s TYR 45 Cb -0.10 -0.61 0.10 0.00 -0.11 0.00 0.00 41.96 41.24 2fnj s TYR 45 CO 0.01 0.03 0.06 0.21 -1.11 0.00 0.00 175.55 174.76 2fnj s LYS 46 N -3.62 1.36 7.94 -0.62 2.20 -0.24 -1.02 119.74 125.73 2fnj s LYS 46 Ca 0.14 -1.76 0.00 0.00 -0.36 0.00 0.00 55.97 53.99 2fnj s LYS 46 Cb 0.02 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2fnj s LYS 46 CO -0.00 -0.95 0.00 -0.25 -0.36 0.00 0.00 175.35 173.78 2fnj n ASP 47 N 4.32 0.00 -0.62 1.43 8.00 -1.26 -1.98 116.55 126.44 2fnj n ASP 47 Ca 0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2fnj n ASP 47 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 2fnj n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2fnj n ASP 48 N 8.81 2.24 -4.63 -2.24 9.92 -1.26 -4.86 116.55 124.53 2fnj n ASP 48 Ca 0.00 -1.62 -0.42 0.00 -0.53 0.00 0.00 54.79 52.22 2fnj n ASP 48 Cb 0.00 0.28 -0.04 0.00 -0.64 0.00 0.00 41.12 40.72 2fnj n ASP 48 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2fnj s GLN 49 N -2.31 4.11 0.23 -1.24 2.00 -0.84 -5.02 119.66 116.59 2fnj s GLN 49 Ca 0.23 0.86 -0.30 0.00 -2.00 0.00 0.00 55.36 54.15 2fnj s GLN 49 Cb 0.19 -3.68 -0.09 0.00 0.80 0.00 0.00 33.01 30.23 2fnj s GLN 49 CO 0.47 -0.61 1.30 -1.17 -0.50 0.00 0.00 175.29 174.79 2fnj s LEU 50 N 2.96 4.42 -0.05 3.68 2.96 -1.26 -1.08 118.68 130.31 2fnj s LEU 50 Ca 0.35 2.45 -0.14 0.00 -0.22 0.00 0.00 54.13 56.57 2fnj s LEU 50 Cb -0.15 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 2fnj s LEU 50 CO 0.10 -0.52 0.37 -0.76 -1.32 0.00 0.00 176.35 174.21 2fnj s LEU 51 N -0.44 4.41 0.04 -0.68 1.43 0.89 -4.92 118.68 119.41 2fnj s LEU 51 Ca 0.55 0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 2fnj s LEU 51 Cb -0.37 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 2fnj s LEU 51 CO 0.41 0.26 0.70 -1.81 0.23 0.00 0.00 176.35 176.14 2fnj s ASP 52 N -0.64 7.15 0.35 2.29 1.01 -1.26 -4.67 116.67 120.89 2fnj s ASP 52 Ca 0.22 1.37 0.11 0.00 0.71 0.00 0.00 52.55 54.96 2fnj s ASP 52 Cb -0.15 -2.43 0.90 0.00 1.01 0.00 0.00 42.92 42.24 2fnj s ASP 52 CO 0.10 0.08 1.79 0.44 0.21 0.00 0.00 175.17 177.79 2fnj h ASP 53 N 5.45 0.63 1.27 0.27 3.32 -1.98 -2.55 116.42 122.84 2fnj h ASP 53 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2fnj h ASP 53 Cb 1.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2fnj h ASP 53 CO 0.70 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 179.03 2fnj n GLY 54 N -1.40 -1.61 3.82 2.75 0.00 -1.26 -1.83 105.19 105.67 2fnj n GLY 54 Ca 0.23 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2fnj n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fnj s LYS 55 N -3.06 3.84 0.53 1.61 -0.14 -0.96 -4.87 119.74 116.69 2fnj s LYS 55 Ca 0.12 1.12 -0.07 0.00 -1.36 0.00 0.00 55.97 55.78 2fnj s LYS 55 Cb 0.15 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.15 2fnj s LYS 55 CO 0.56 -0.37 0.87 0.95 -0.76 0.00 0.00 175.35 176.61 2fnj s THR 56 N -2.37 4.74 0.28 2.17 -4.23 -1.26 -1.23 115.64 113.74 2fnj s THR 56 Ca 0.62 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 2fnj s THR 56 Cb -0.12 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 70.12 2fnj s THR 56 CO 0.26 -0.91 1.92 -0.07 -0.54 0.00 0.00 174.62 175.29 2fnj h LEU 57 N 0.02 0.96 -0.45 4.79 3.38 -0.22 -2.02 115.31 121.77 2fnj h LEU 57 Ca -0.46 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.51 2fnj h LEU 57 Cb 1.20 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 2fnj h LEU 57 CO 0.62 0.75 0.16 1.23 0.09 0.00 0.00 178.44 181.29 2fnj h GLY 58 N 1.13 0.60 2.00 0.83 0.00 -0.99 0.29 103.07 106.92 2fnj h GLY 58 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2fnj h GLY 58 CO -0.05 0.02 -0.03 0.83 0.00 0.00 0.00 176.54 177.31 2fnj h GLU 59 N 0.34 0.00 0.00 4.80 5.08 -1.65 -0.92 114.58 122.23 2fnj h GLU 59 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2fnj h GLU 59 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2fnj h GLU 59 CO -0.22 0.03 -0.10 0.00 -1.00 0.00 0.00 179.01 177.72 2fnj n GLY 61 N 1.23 1.27 3.36 0.00 0.00 -0.35 -5.01 105.19 105.68 2fnj n GLY 61 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2fnj n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fnj s PHE 62 N -2.00 3.71 0.18 1.61 0.08 -0.81 -4.95 117.98 115.79 2fnj s PHE 62 Ca 0.00 -1.99 0.04 0.00 0.12 0.00 0.00 56.93 55.10 2fnj s PHE 62 Cb 0.00 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.50 2fnj s PHE 62 CO 0.00 -1.08 0.26 0.95 -0.10 0.00 0.00 175.22 175.25 2fnj s THR 63 N 0.45 5.07 0.61 0.64 -4.23 -1.26 -3.98 115.64 112.93 2fnj s THR 63 Ca 0.23 -0.88 0.31 0.00 -1.18 0.00 0.00 61.69 60.17 2fnj s THR 63 Cb -0.09 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.48 2fnj s THR 63 CO -0.09 -0.15 2.11 0.28 -0.54 0.00 0.00 174.62 176.23 2fnj h SER 64 N 1.99 0.00 1.50 3.99 0.02 -1.86 0.27 113.55 119.46 2fnj h SER 64 Ca -0.49 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 2fnj h SER 64 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2fnj h SER 64 CO 0.66 0.00 -0.51 1.56 -1.14 0.00 0.00 176.83 177.40 2fnj h GLN 65 N 0.00 0.00 -0.27 3.45 7.50 -1.94 -3.32 115.11 120.53 2fnj h GLN 65 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 2fnj h GLN 65 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2fnj h GLN 65 CO -0.00 0.34 0.00 0.25 -1.50 0.00 0.00 178.83 177.92 2fnj n THR 66 N -3.13 0.91 -3.10 -0.54 -2.24 -0.06 -4.71 114.28 101.40 2fnj n THR 66 Ca 0.01 -0.95 -0.21 0.00 -2.27 0.00 0.00 64.05 60.63 2fnj n THR 66 Cb 0.69 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 2fnj n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fnj n ALA 67 N 0.38 1.60 -2.40 6.98 0.00 -0.35 -4.32 120.51 122.39 2fnj n ALA 67 Ca 0.09 -2.95 -0.27 0.00 0.00 0.00 0.00 53.44 50.31 2fnj n ALA 67 Cb 0.38 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 2fnj n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2fnj s ARG 68 N -0.73 3.58 0.23 0.00 0.52 -1.20 -0.51 118.95 120.83 2fnj s ARG 68 Ca 0.34 0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.55 2fnj s ARG 68 Cb 0.18 -2.50 0.36 0.00 0.52 0.00 0.00 34.95 33.50 2fnj s ARG 68 CO -0.14 -0.02 1.76 -1.35 0.02 0.00 0.00 175.30 175.58 2fnj h PRO 69 N 0.77 0.52 0.00 3.54 0.11 -1.93 0.52 132.00 135.53 2fnj h PRO 69 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2fnj h PRO 69 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fnj h PRO 69 CO 0.63 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2fnj n GLN 70 N -4.91 0.22 -2.82 1.05 0.00 -1.26 -4.18 117.38 105.47 2fnj n GLN 70 Ca 0.11 0.03 -0.11 0.00 0.00 0.00 0.00 57.00 57.04 2fnj n GLN 70 Cb 0.31 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.09 2fnj n GLN 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fnj n ALA 71 N -1.38 -0.62 -1.72 2.61 0.00 -0.44 -5.15 120.51 113.82 2fnj n ALA 71 Ca 0.10 -1.77 -0.38 0.00 0.00 0.00 0.00 53.44 51.40 2fnj n ALA 71 Cb 0.26 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.56 2fnj n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2fnj n PRO 72 N 1.25 1.25 -2.76 0.00 -0.04 0.05 -3.23 135.00 131.53 2fnj n PRO 72 Ca 0.11 0.48 -0.32 0.00 -0.04 0.00 0.00 63.50 63.72 2fnj n PRO 72 Cb 0.63 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2fnj n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fnj s ALA 73 N -1.37 3.13 -0.17 0.55 0.00 -0.17 -4.75 121.76 118.98 2fnj s ALA 73 Ca 0.79 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 2fnj s ALA 73 Cb -0.40 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2fnj s ALA 73 CO 0.44 0.05 0.12 0.99 0.00 0.00 0.00 175.76 177.35 2fnj s THR 74 N -2.29 5.32 -0.20 0.00 2.01 -1.26 -1.10 115.64 118.11 2fnj s THR 74 Ca 0.59 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 2fnj s THR 74 Cb -0.10 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.04 2fnj s THR 74 CO 0.21 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.81 2fnj s VAL 75 N -0.01 2.57 0.48 3.82 1.01 0.03 -4.59 120.40 123.70 2fnj s VAL 75 Ca 0.09 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2fnj s VAL 75 Cb -0.11 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 2fnj s VAL 75 CO -0.00 0.44 1.00 -0.83 0.00 0.00 0.00 175.10 175.71 2fnj s GLY 76 N 1.35 2.38 -0.00 4.51 0.00 -0.19 -0.38 107.32 114.98 2fnj s GLY 76 Ca 0.04 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.22 2fnj s GLY 76 CO -0.09 0.75 -0.02 -2.27 0.00 0.00 0.00 173.10 171.47 2fnj s LEU 77 N -3.52 1.92 -0.02 0.66 2.96 0.12 -1.03 118.68 119.77 2fnj s LEU 77 Ca 0.64 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2fnj s LEU 77 Cb -0.13 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.44 2fnj s LEU 77 CO 0.20 0.02 -0.05 0.00 -1.32 0.00 0.00 176.35 175.20 2fnj s ALA 78 N 0.05 0.55 0.26 5.97 0.00 -0.61 -4.46 121.76 123.52 2fnj s ALA 78 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2fnj s ALA 78 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2fnj s ALA 78 CO -0.00 0.05 0.39 -0.06 0.00 0.00 0.00 175.76 176.14 2fnj s PHE 79 N 0.40 3.46 -0.14 0.00 0.08 -1.26 -1.78 117.98 118.73 2fnj s PHE 79 Ca -0.05 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.07 2fnj s PHE 79 Cb -0.09 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.73 2fnj s PHE 79 CO -0.00 0.38 -0.17 0.50 -0.10 0.00 0.00 175.22 175.83 2fnj s ARG 80 N -4.00 3.20 -0.46 0.44 3.00 -0.61 -1.84 118.95 118.68 2fnj s ARG 80 Ca 0.35 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.73 54.29 2fnj s ARG 80 Cb -0.09 -2.56 0.12 0.00 0.00 0.00 0.00 34.95 32.41 2fnj s ARG 80 CO 0.30 0.06 0.25 0.00 0.00 0.00 0.00 175.30 175.91 2fnj s ALA 81 N 0.69 3.24 -0.23 6.12 0.00 -1.08 -4.82 121.76 125.69 2fnj s ALA 81 Ca -0.08 -2.73 -0.08 0.00 0.00 0.00 0.00 51.96 49.07 2fnj s ALA 81 Cb -0.16 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.55 2fnj s ALA 81 CO 0.02 -1.87 0.31 -0.25 0.00 0.00 0.00 175.76 173.96 2fnj n ASP 82 N 4.25 -5.25 -3.81 0.00 8.00 -1.26 -4.19 116.55 114.30 2fnj n ASP 82 Ca 0.01 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.58 2fnj n ASP 82 Cb 0.40 -3.40 -0.07 0.00 -0.02 0.00 0.00 41.12 38.04 2fnj n ASP 82 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2fnj n ASP 83 N -0.34 0.03 -3.15 -2.24 8.00 -1.26 -4.88 116.55 112.70 2fnj n ASP 83 Ca 0.06 -0.93 0.04 0.00 0.71 0.00 0.00 54.79 54.67 2fnj n ASP 83 Cb 0.23 -1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 2fnj n ASP 83 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2fnj s THR 84 N -3.57 -0.80 0.12 -3.53 -1.32 -1.26 -5.15 115.64 100.13 2fnj s THR 84 Ca 0.20 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 2fnj s THR 84 Cb -0.12 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 69.84 2fnj s THR 84 CO 0.74 0.00 1.03 -0.36 -2.21 0.00 0.00 174.62 173.82 2fnj s PHE 85 N 2.88 3.70 0.78 9.09 0.40 -1.26 -2.62 117.98 130.95 2fnj s PHE 85 Ca 0.15 1.69 -0.11 0.00 -0.60 0.00 0.00 56.93 58.05 2fnj s PHE 85 Cb -0.13 -3.16 0.06 0.00 0.51 0.00 0.00 43.02 40.30 2fnj s PHE 85 CO -0.19 -0.20 1.11 -1.83 0.70 0.00 0.00 175.22 174.80 2fnj s GLU 86 N 0.00 2.13 0.70 0.44 -1.05 -0.77 -4.99 118.70 115.17 2fnj s GLU 86 Ca 0.49 1.28 -0.12 0.00 -0.15 0.00 0.00 54.97 56.47 2fnj s GLU 86 Cb -0.26 -1.88 0.01 0.00 -0.44 0.00 0.00 34.13 31.57 2fnj s GLU 86 CO 0.31 -1.75 1.07 0.00 0.95 0.00 0.00 175.26 175.85 2fnj s ALA 87 N -2.75 2.54 -0.09 -0.84 0.00 -1.26 -4.74 121.76 114.62 2fnj s ALA 87 Ca 0.63 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2fnj s ALA 87 Cb -0.19 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2fnj s ALA 87 CO 0.54 -1.32 1.46 -1.17 0.00 0.00 0.00 175.76 175.26 2fnj s LEU 88 N -5.40 4.27 -0.12 0.00 2.96 -1.26 -4.92 118.68 114.20 2fnj s LEU 88 Ca 0.61 2.00 -0.02 0.00 -0.22 0.00 0.00 54.13 56.50 2fnj s LEU 88 Cb -0.16 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2fnj s LEU 88 CO 0.51 -0.82 0.01 -0.60 -1.32 0.00 0.00 176.35 174.12 2fnj s ARG 89 N 3.53 0.69 -0.18 1.98 3.52 -1.26 -5.10 118.95 122.14 2fnj s ARG 89 Ca 0.64 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.14 2fnj s ARG 89 Cb -0.28 -1.44 0.02 0.00 -1.56 0.00 0.00 34.95 31.69 2fnj s ARG 89 CO 0.23 -0.43 -0.19 0.42 -0.81 0.00 0.00 175.30 174.53 2fnj s ILE 90 N 1.91 2.00 0.24 4.11 1.01 -1.26 0.62 121.20 129.84 2fnj s ILE 90 Ca 0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2fnj s ILE 90 Cb -0.14 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 2fnj s ILE 90 CO -0.06 0.50 1.02 -1.61 0.00 0.00 0.00 174.94 174.78 2fnj s GLU 91 N 1.30 4.74 0.69 2.79 0.41 0.35 -4.89 118.70 124.11 2fnj s GLU 91 Ca 0.04 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.12 2fnj s GLU 91 Cb -0.13 -3.25 0.01 0.00 -1.78 0.00 0.00 34.13 28.97 2fnj s GLU 91 CO -0.12 0.35 1.06 -1.25 -0.49 0.00 0.00 175.26 174.80 2fnj s PRO 92 N -1.15 2.94 0.72 0.39 0.04 -1.26 -4.86 135.00 131.82 2fnj s PRO 92 Ca 0.43 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2fnj s PRO 92 Cb -0.28 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2fnj s PRO 92 CO 0.36 -1.08 1.10 -0.06 0.04 0.00 0.00 177.00 177.35 2fnj s PHE 93 N -3.06 3.24 1.42 0.56 0.08 -1.26 -5.04 117.98 113.92 2fnj s PHE 93 Ca 0.58 1.04 -0.23 0.00 0.12 0.00 0.00 56.93 58.44 2fnj s PHE 93 Cb -0.14 -3.10 0.37 0.00 -0.57 0.00 0.00 43.02 39.58 2fnj s PHE 93 CO 0.55 -1.29 0.95 -1.54 -0.10 0.00 0.00 175.22 173.79 2fnj s SER 94 N -4.32 -1.03 0.11 1.36 1.04 -1.26 -5.05 113.70 104.55 2fnj s SER 94 Ca 0.59 0.75 0.06 0.00 0.48 0.00 0.00 55.95 57.83 2fnj s SER 94 Cb -0.11 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 64.93 2fnj s SER 94 CO 0.52 -5.34 -0.16 -0.94 0.98 0.00 0.00 173.24 168.31 2fnj s SER 95 N -3.32 2.08 0.86 7.02 1.04 -1.26 -5.14 113.70 114.98 2fnj s SER 95 Ca 0.69 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 2fnj s SER 95 Cb -0.11 -0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.01 2fnj s SER 95 CO 0.57 -0.07 0.99 -0.81 0.98 0.00 0.00 173.24 174.89 2fnj n PRO 96 N 0.84 -0.11 0.14 4.02 -0.04 -1.26 -4.89 135.00 133.69 2fnj n PRO 96 Ca -0.18 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2fnj n PRO 96 Cb 0.55 -2.27 0.41 0.00 -0.04 0.00 0.00 33.50 32.16 2fnj n PRO 96 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2fnj n PRO 97 N -3.12 0.10 -0.87 0.54 -0.04 -1.26 -5.33 135.00 125.02 2fnj n PRO 97 Ca 0.12 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2fnj n PRO 97 Cb 0.51 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2fnj n PRO 97 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55