#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fj2 n ASP -4 N 0.00 -2.35 0.26 3.17 5.75 -1.26 -4.22 116.55 117.90 1fj2 n ASP -4 Ca 0.00 -1.06 -0.16 0.00 -0.01 0.00 0.00 54.79 53.56 1fj2 n ASP -4 Cb 0.00 -0.92 -0.08 0.00 -1.03 0.00 0.00 41.12 39.08 1fj2 n ASP -4 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1fj2 h PRO -3 N 0.00 -0.59 -1.00 0.11 0.10 -2.04 0.19 132.00 128.77 1fj2 h PRO -3 Ca -0.38 0.04 0.23 0.00 0.10 0.00 0.00 66.00 66.00 1fj2 h PRO -3 Cb 1.17 0.14 -0.09 0.00 0.10 0.00 0.00 31.00 32.31 1fj2 h PRO -3 CO 0.24 -0.39 0.64 1.49 0.10 0.00 0.00 178.00 180.08 1fj2 h GLU -2 N -0.64 0.48 0.00 1.05 4.81 -2.02 -2.12 114.58 116.14 1fj2 h GLU -2 Ca -0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1fj2 h GLU -2 Cb 0.48 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1fj2 h GLU -2 CO 0.10 0.32 -0.24 0.74 -0.73 0.00 0.00 179.01 179.20 1fj2 h PHE -1 N 0.49 0.00 -0.51 0.92 -1.00 -1.03 -2.95 116.94 112.86 1fj2 h PHE -1 Ca 0.56 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.33 1fj2 h PHE -1 Cb 1.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 1fj2 h PHE -1 CO -0.00 0.00 0.02 -1.33 -1.61 0.00 0.00 178.31 175.39 1fj2 n MET 1 N -2.86 4.32 0.23 1.51 2.81 0.09 -3.92 117.12 119.30 1fj2 n MET 1 Ca 0.03 -2.74 0.13 0.00 -1.81 0.00 0.00 57.70 53.31 1fj2 n MET 1 Cb 0.52 -2.17 0.43 0.00 -0.71 0.00 0.00 33.22 31.29 1fj2 n MET 1 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1fj2 h SER 2 N 3.38 0.00 -3.64 7.83 4.64 -1.36 -3.46 113.55 120.93 1fj2 h SER 2 Ca 0.02 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.87 1fj2 h SER 2 Cb 1.82 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.97 1fj2 h SER 2 CO 0.45 0.11 0.17 0.42 -0.87 0.00 0.00 176.83 177.12 1fj2 s THR 3 N -3.48 3.63 1.06 2.95 -4.23 -1.25 -5.06 115.64 109.25 1fj2 s THR 3 Ca 0.03 -0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1fj2 s THR 3 Cb 0.08 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.62 1fj2 s THR 3 CO 0.62 -0.45 0.52 -2.65 -0.54 0.00 0.00 174.62 172.11 1fj2 n PRO 4 N -2.58 -1.29 -1.06 3.99 -0.02 -1.26 -5.00 135.00 127.77 1fj2 n PRO 4 Ca 0.05 -0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 60.87 1fj2 n PRO 4 Cb 0.58 -1.95 0.12 0.00 -0.02 0.00 0.00 33.50 32.23 1fj2 n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fj2 s LEU 5 N -3.41 3.01 0.72 2.45 1.43 -1.26 -4.59 118.68 117.02 1fj2 s LEU 5 Ca 0.61 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.61 1fj2 s LEU 5 Cb -0.19 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.50 1fj2 s LEU 5 CO 0.65 -2.52 1.21 -2.65 0.23 0.00 0.00 176.35 173.27 1fj2 n PRO 6 N -3.68 0.69 -2.27 1.29 -0.02 -1.26 -4.79 135.00 124.97 1fj2 n PRO 6 Ca 0.11 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1fj2 n PRO 6 Cb 0.52 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1fj2 n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fj2 s ALA 7 N -1.71 3.50 -0.03 3.55 0.00 -0.50 -4.84 121.76 121.73 1fj2 s ALA 7 Ca 0.78 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1fj2 s ALA 7 Cb -0.34 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1fj2 s ALA 7 CO 0.45 -0.50 -0.08 0.42 0.00 0.00 0.00 175.76 176.05 1fj2 s ILE 8 N 0.29 0.75 -0.44 0.00 1.01 -1.26 -0.35 121.20 121.19 1fj2 s ILE 8 Ca 0.57 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.73 1fj2 s ILE 8 Cb -0.35 -0.68 0.05 0.00 0.01 0.00 0.00 42.46 41.49 1fj2 s ILE 8 CO 0.36 0.24 0.37 -0.69 0.00 0.00 0.00 174.94 175.22 1fj2 s VAL 9 N 0.28 5.22 0.69 2.92 1.01 -0.28 -4.98 120.40 125.26 1fj2 s VAL 9 Ca -0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1fj2 s VAL 9 Cb -0.09 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1fj2 s VAL 9 CO 0.01 -0.46 1.11 -2.16 0.00 0.00 0.00 175.10 173.60 1fj2 s PRO 10 N 1.75 2.62 0.19 2.72 0.04 -1.26 -1.04 135.00 140.02 1fj2 s PRO 10 Ca 0.06 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1fj2 s PRO 10 Cb -0.21 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1fj2 s PRO 10 CO 0.09 -1.39 1.18 0.00 0.04 0.00 0.00 177.00 176.92 1fj2 s ALA 11 N -2.42 3.42 -0.01 8.56 0.00 -1.23 -4.83 121.76 125.25 1fj2 s ALA 11 Ca 0.66 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 1fj2 s ALA 11 Cb -0.20 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.32 1fj2 s ALA 11 CO 0.45 -0.34 1.30 0.00 0.00 0.00 0.00 175.76 177.16 1fj2 h ALA 12 N 5.14 0.03 -3.00 0.00 0.00 -1.62 -3.44 119.26 116.37 1fj2 h ALA 12 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1fj2 h ALA 12 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fj2 h ALA 12 CO 0.74 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.30 1fj2 n ARG 13 N -4.83 0.96 -2.87 0.00 1.74 0.69 -5.02 116.66 107.32 1fj2 n ARG 13 Ca -0.08 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.62 1fj2 n ARG 13 Cb 0.25 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.63 1fj2 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1fj2 s LYS 14 N -0.09 4.61 -0.10 5.56 1.02 -1.26 -4.89 119.74 124.59 1fj2 s LYS 14 Ca 0.00 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1fj2 s LYS 14 Cb 0.00 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1fj2 s LYS 14 CO 0.00 0.45 1.03 0.00 -0.92 0.00 0.00 175.35 175.91 1fj2 s ALA 15 N -1.35 3.41 -0.93 5.17 0.00 -1.26 -4.68 121.76 122.11 1fj2 s ALA 15 Ca 0.43 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.88 1fj2 s ALA 15 Cb -0.22 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.62 1fj2 s ALA 15 CO 0.26 -0.62 0.99 0.25 0.00 0.00 0.00 175.76 176.65 1fj2 n THR 16 N 4.55 0.50 -3.76 0.00 -2.24 0.00 -4.93 114.28 108.39 1fj2 n THR 16 Ca 0.09 -0.75 -0.06 0.00 -2.27 0.00 0.00 64.05 61.06 1fj2 n THR 16 Cb 0.48 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 1fj2 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj2 s ALA 17 N -0.87 -1.45 0.01 6.98 0.00 -1.14 -4.85 121.76 120.44 1fj2 s ALA 17 Ca 0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 1fj2 s ALA 17 Cb 0.09 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1fj2 s ALA 17 CO 0.12 -1.00 0.31 0.00 0.00 0.00 0.00 175.76 175.19 1fj2 s ALA 18 N -3.63 -0.74 -0.17 0.00 0.00 -0.63 -1.52 121.76 115.08 1fj2 s ALA 18 Ca 0.10 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1fj2 s ALA 18 Cb -0.04 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1fj2 s ALA 18 CO 0.03 -0.33 -0.20 0.08 0.00 0.00 0.00 175.76 175.34 1fj2 s VAL 19 N -1.87 2.12 -0.27 0.00 1.01 -0.28 -1.28 120.40 119.83 1fj2 s VAL 19 Ca -0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1fj2 s VAL 19 Cb -0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1fj2 s VAL 19 CO 0.01 0.54 0.10 -0.63 0.00 0.00 0.00 175.10 175.12 1fj2 s ILE 20 N 1.13 4.52 -0.13 2.22 1.01 -0.38 -0.19 121.20 129.38 1fj2 s ILE 20 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1fj2 s ILE 20 Cb -0.14 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1fj2 s ILE 20 CO -0.09 0.27 -0.18 0.12 0.00 0.00 0.00 174.94 175.07 1fj2 s PHE 21 N 1.64 2.30 -0.26 3.97 5.36 0.22 -0.65 117.98 130.55 1fj2 s PHE 21 Ca 0.06 -1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 54.78 1fj2 s PHE 21 Cb -0.16 -1.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1fj2 s PHE 21 CO 0.05 -0.58 0.09 -0.51 -1.46 0.00 0.00 175.22 172.82 1fj2 s LEU 22 N 1.03 3.56 0.95 6.12 1.43 0.37 -3.96 118.68 128.17 1fj2 s LEU 22 Ca -0.04 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 1fj2 s LEU 22 Cb -0.15 -1.96 0.16 0.00 0.03 0.00 0.00 46.19 44.27 1fj2 s LEU 22 CO -0.04 -0.04 1.12 -1.38 0.23 0.00 0.00 176.35 176.24 1fj2 s HIS 23 N 1.64 2.33 0.24 0.29 -3.43 -1.26 -1.06 115.29 114.04 1fj2 s HIS 23 Ca 0.07 0.89 0.03 0.00 -0.80 0.00 0.00 55.06 55.25 1fj2 s HIS 23 Cb -0.15 -3.35 0.03 0.00 -1.43 0.00 0.00 32.58 27.68 1fj2 s HIS 23 CO 0.05 -2.60 0.28 0.41 -2.00 0.00 0.00 174.74 170.88 1fj2 n GLY 24 N -1.77 2.32 3.74 -1.38 0.00 -1.15 -2.90 105.19 104.05 1fj2 n GLY 24 Ca 0.06 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1fj2 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fj2 s LEU 25 N 0.00 4.39 0.00 0.99 1.43 -1.26 -3.12 118.68 121.10 1fj2 s LEU 25 Ca 0.21 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1fj2 s LEU 25 Cb -0.02 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1fj2 s LEU 25 CO 0.13 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1fj2 n GLY 26 N 2.46 1.81 3.70 -3.19 0.00 -1.26 -5.00 105.19 103.71 1fj2 n GLY 26 Ca 0.08 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1fj2 n GLY 26 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fj2 s ASP 27 N 0.00 3.09 0.26 1.61 1.47 -1.18 -5.02 116.67 116.90 1fj2 s ASP 27 Ca 0.00 1.34 0.09 0.00 1.18 0.00 0.00 52.55 55.16 1fj2 s ASP 27 Cb 0.00 -2.01 -0.05 0.00 -0.34 0.00 0.00 42.92 40.52 1fj2 s ASP 27 CO 0.00 -2.86 -0.15 0.42 0.68 0.00 0.00 175.17 173.27 1fj2 s THR 28 N -2.96 2.08 0.18 2.11 -4.23 -1.26 -4.45 115.64 107.12 1fj2 s THR 28 Ca 0.64 -2.28 -0.17 0.00 -1.18 0.00 0.00 61.69 58.71 1fj2 s THR 28 Cb -0.18 -2.29 0.14 0.00 1.34 0.00 0.00 72.50 71.51 1fj2 s THR 28 CO 0.57 -0.42 1.64 1.23 -0.54 0.00 0.00 174.62 177.10 1fj2 h GLY 29 N 2.33 0.24 0.54 3.99 0.00 -1.84 -2.18 103.07 106.16 1fj2 h GLY 29 Ca -0.40 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.22 1fj2 h GLY 29 CO 0.63 -0.20 0.25 0.84 0.00 0.00 0.00 176.54 178.06 1fj2 h HIS 30 N -0.06 0.45 -0.37 5.60 -0.00 -1.93 0.08 115.15 118.92 1fj2 h HIS 30 Ca 0.23 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.67 1fj2 h HIS 30 Cb 0.41 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 1fj2 h HIS 30 CO -0.45 0.17 0.14 0.78 -0.00 0.00 0.00 177.93 178.56 1fj2 h GLY 31 N 0.46 0.47 1.14 5.26 0.00 -1.88 -1.09 103.07 107.43 1fj2 h GLY 31 Ca 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1fj2 h GLY 31 CO -0.24 0.04 0.11 1.49 0.00 0.00 0.00 176.54 177.94 1fj2 h TRP 32 N 0.30 1.11 -0.40 5.60 4.06 -1.15 -1.45 115.95 124.02 1fj2 h TRP 32 Ca 0.16 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1fj2 h TRP 32 Cb 0.13 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 1fj2 h TRP 32 CO -0.14 0.93 0.14 0.00 -3.56 0.00 0.00 178.44 175.82 1fj2 h ALA 33 N 1.12 1.51 -0.21 1.49 0.00 -0.21 0.12 119.26 123.09 1fj2 h ALA 33 Ca 0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1fj2 h ALA 33 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1fj2 h ALA 33 CO 0.01 0.37 -0.39 0.93 0.00 0.00 0.00 179.25 180.18 1fj2 h GLU 34 N 0.56 0.48 -0.34 0.00 4.39 -0.70 -0.14 114.58 118.83 1fj2 h GLU 34 Ca 0.14 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1fj2 h GLU 34 Cb 0.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1fj2 h GLU 34 CO -0.01 0.80 0.06 0.00 -1.16 0.00 0.00 179.01 178.69 1fj2 h ALA 35 N 1.18 0.45 0.00 3.43 0.00 -0.21 -3.09 119.26 121.03 1fj2 h ALA 35 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1fj2 h ALA 35 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1fj2 h ALA 35 CO 0.07 0.15 -0.41 0.74 0.00 0.00 0.00 179.25 179.80 1fj2 h PHE 36 N 0.40 0.00 -0.86 0.00 -1.00 -0.49 -2.08 116.94 112.90 1fj2 h PHE 36 Ca 0.10 0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.05 1fj2 h PHE 36 Cb 0.35 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.85 1fj2 h PHE 36 CO 0.02 0.41 0.57 0.00 -1.61 0.00 0.00 178.31 177.70 1fj2 h ALA 37 N 1.59 2.03 0.00 2.45 0.00 -0.94 -0.91 119.26 123.48 1fj2 h ALA 37 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fj2 h ALA 37 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1fj2 h ALA 37 CO 0.05 -0.28 0.00 0.78 0.00 0.00 0.00 179.25 179.80 1fj2 h GLY 38 N 0.52 0.00 -0.59 0.00 0.00 -1.40 -2.93 103.07 98.67 1fj2 h GLY 38 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1fj2 h GLY 38 CO -0.18 0.00 -0.27 0.29 0.00 0.00 0.00 176.54 176.38 1fj2 n ILE 39 N -2.95 1.73 -2.40 2.60 -5.35 -0.39 -5.09 119.36 107.51 1fj2 n ILE 39 Ca -0.00 -2.34 -0.37 0.00 -0.27 0.00 0.00 62.75 59.76 1fj2 n ILE 39 Cb 0.23 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.99 1fj2 n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fj2 s ARG 40 N -2.60 4.09 -0.08 6.28 1.70 -0.94 -4.96 118.95 122.44 1fj2 s ARG 40 Ca 0.31 1.70 -0.05 0.00 -0.47 0.00 0.00 55.73 57.22 1fj2 s ARG 40 Cb 0.29 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 1fj2 s ARG 40 CO -0.02 -0.25 0.13 0.45 -1.08 0.00 0.00 175.30 174.54 1fj2 s SER 41 N -1.32 6.22 0.58 -2.89 0.15 -1.26 -5.02 113.70 110.15 1fj2 s SER 41 Ca 0.58 0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.88 1fj2 s SER 41 Cb -0.27 -1.96 1.56 0.00 -1.71 0.00 0.00 66.02 63.64 1fj2 s SER 41 CO 0.34 0.36 2.03 0.77 1.20 0.00 0.00 173.24 177.94 1fj2 h SER 42 N 4.63 0.00 -0.34 5.45 4.64 -1.95 -1.93 113.55 124.04 1fj2 h SER 42 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1fj2 h SER 42 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1fj2 h SER 42 CO 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 1fj2 n HIS 43 N -3.88 0.54 -4.75 4.77 1.44 -1.26 -0.22 115.22 111.86 1fj2 n HIS 43 Ca 0.04 -0.55 -0.33 0.00 -2.01 0.00 0.00 57.72 54.87 1fj2 n HIS 43 Cb 0.45 -0.07 -0.12 0.00 0.12 0.00 0.00 29.99 30.37 1fj2 n HIS 43 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fj2 s ILE 44 N -1.25 3.37 -0.11 0.61 1.01 -0.72 -0.82 121.20 123.29 1fj2 s ILE 44 Ca 0.26 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1fj2 s ILE 44 Cb 0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1fj2 s ILE 44 CO 0.15 0.58 0.05 -0.75 0.00 0.00 0.00 174.94 174.98 1fj2 s LYS 45 N -0.61 3.28 -0.19 2.79 2.20 -0.57 -3.56 119.74 123.07 1fj2 s LYS 45 Ca 0.09 -0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 1fj2 s LYS 45 Cb -0.11 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1fj2 s LYS 45 CO 0.01 0.66 -0.01 0.71 -0.36 0.00 0.00 175.35 176.36 1fj2 s TYR 46 N -0.72 3.03 -0.20 4.03 1.51 -0.21 -1.12 117.35 123.67 1fj2 s TYR 46 Ca 0.12 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1fj2 s TYR 46 Cb -0.12 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1fj2 s TYR 46 CO 0.02 -0.18 -0.14 0.42 -1.11 0.00 0.00 175.55 174.56 1fj2 s ILE 47 N 0.81 1.91 -0.61 2.71 1.01 0.74 -1.12 121.20 126.65 1fj2 s ILE 47 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1fj2 s ILE 47 Cb -0.14 -1.88 0.15 0.00 0.01 0.00 0.00 42.46 40.60 1fj2 s ILE 47 CO 0.02 0.29 0.39 0.00 0.00 0.00 0.00 174.94 175.64 1fj2 s PRO 49 N -0.33 2.14 -0.04 0.00 0.04 -1.25 -1.41 135.00 134.15 1fj2 s PRO 49 Ca 0.18 1.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1fj2 s PRO 49 Cb -0.21 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1fj2 s PRO 49 CO -0.03 -1.76 0.23 -1.01 0.04 0.00 0.00 177.00 174.47 1fj2 s HIS 50 N -2.55 3.60 0.06 0.56 3.76 -1.26 -4.55 115.29 114.91 1fj2 s HIS 50 Ca 0.66 0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.05 1fj2 s HIS 50 Cb -0.21 -1.99 -0.06 0.00 1.11 0.00 0.00 32.58 31.43 1fj2 s HIS 50 CO 0.51 0.66 0.40 0.00 -0.85 0.00 0.00 174.74 175.46 1fj2 s ALA 51 N -1.19 3.72 0.58 -1.40 0.00 -1.26 -4.88 121.76 117.33 1fj2 s ALA 51 Ca 0.23 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1fj2 s ALA 51 Cb -0.13 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1fj2 s ALA 51 CO 0.12 0.55 0.87 -2.30 0.00 0.00 0.00 175.76 175.00 1fj2 n PRO 52 N 1.06 0.85 -3.22 0.00 -0.02 -1.26 -4.15 135.00 128.26 1fj2 n PRO 52 Ca -0.09 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1fj2 n PRO 52 Cb 0.52 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 1fj2 n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fj2 s VAL 53 N -1.54 5.08 -0.08 -1.45 1.01 -1.26 -0.73 120.40 121.43 1fj2 s VAL 53 Ca 0.73 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 63.42 1fj2 s VAL 53 Cb -0.43 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.15 1fj2 s VAL 53 CO 0.49 0.14 0.61 -0.13 0.00 0.00 0.00 175.10 176.22 1fj2 s ARG 54 N 1.85 0.93 0.35 2.72 3.00 -0.90 -4.82 118.95 122.07 1fj2 s ARG 54 Ca 0.24 0.32 -0.27 0.00 0.00 0.00 0.00 55.73 56.02 1fj2 s ARG 54 Cb -0.15 0.44 -0.12 0.00 0.00 0.00 0.00 34.95 35.11 1fj2 s ARG 54 CO 0.09 -0.25 1.07 -2.30 0.00 0.00 0.00 175.30 173.91 1fj2 n PRO 55 N 1.36 1.53 -4.42 3.54 -0.02 -1.26 -1.71 135.00 134.02 1fj2 n PRO 55 Ca -0.18 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1fj2 n PRO 55 Cb 0.57 -2.02 -0.16 0.00 -0.02 0.00 0.00 33.50 31.86 1fj2 n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fj2 s VAL 56 N -1.14 1.87 0.18 -1.45 1.01 -0.66 -4.90 120.40 115.31 1fj2 s VAL 56 Ca 0.59 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1fj2 s VAL 56 Cb -0.62 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1fj2 s VAL 56 CO 0.60 0.51 1.68 0.74 0.00 0.00 0.00 175.10 178.63 1fj2 h THR 57 N 5.91 1.26 -0.28 3.92 2.02 -1.89 0.25 112.91 124.09 1fj2 h THR 57 Ca -0.36 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 65.87 1fj2 h THR 57 Cb 1.17 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1fj2 h THR 57 CO 0.55 0.36 0.19 0.25 0.37 0.00 0.00 175.52 177.25 1fj2 h LEU 58 N 0.95 0.29 -3.98 2.58 6.46 -1.16 -2.23 115.31 118.21 1fj2 h LEU 58 Ca 0.20 -0.01 -0.62 0.00 -0.12 0.00 0.00 57.88 57.33 1fj2 h LEU 58 Cb 0.39 -0.07 -0.29 0.00 -0.73 0.00 0.00 40.66 39.96 1fj2 h LEU 58 CO 0.01 0.21 0.80 0.59 -0.62 0.00 0.00 178.44 179.43 1fj2 n ASN 59 N -4.50 6.49 -2.85 1.25 3.02 -0.80 -4.87 115.26 113.01 1fj2 n ASN 59 Ca 0.02 -3.71 -0.21 0.00 -0.03 0.00 0.00 54.58 50.64 1fj2 n ASN 59 Cb 0.10 -0.94 0.01 0.00 -0.61 0.00 0.00 39.78 38.35 1fj2 n ASN 59 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1fj2 n MET 60 N -0.96 -3.60 -1.51 3.52 2.81 -0.84 -2.12 117.12 114.43 1fj2 n MET 60 Ca 0.61 0.84 -0.12 0.00 -1.81 0.00 0.00 57.70 57.23 1fj2 n MET 60 Cb 0.96 -5.61 -0.04 0.00 -0.71 0.00 0.00 33.22 27.82 1fj2 n MET 60 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1fj2 n ASN 61 N -2.29 -4.29 -4.76 7.83 3.02 0.01 -4.98 115.26 109.80 1fj2 n ASN 61 Ca -0.14 0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1fj2 n ASN 61 Cb 0.63 -2.95 -0.03 0.00 -0.61 0.00 0.00 39.78 36.82 1fj2 n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fj2 s VAL 62 N -2.46 3.01 -0.08 2.41 1.01 -0.90 -4.27 120.40 119.12 1fj2 s VAL 62 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1fj2 s VAL 62 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1fj2 s VAL 62 CO 0.00 0.23 1.13 0.00 0.00 0.00 0.00 175.10 176.46 1fj2 s ALA 63 N -1.01 3.48 0.17 5.51 0.00 -1.26 -1.64 121.76 127.01 1fj2 s ALA 63 Ca 0.48 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1fj2 s ALA 63 Cb -0.37 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.30 1fj2 s ALA 63 CO 0.48 -0.73 0.52 0.00 0.00 0.00 0.00 175.76 176.03 1fj2 s MET 64 N 2.23 1.29 0.14 0.00 0.23 -0.70 -4.81 119.30 117.69 1fj2 s MET 64 Ca 0.53 -0.72 -0.35 0.00 -1.03 0.00 0.00 55.69 54.12 1fj2 s MET 64 Cb -0.22 0.53 -0.15 0.00 -1.53 0.00 0.00 34.83 33.47 1fj2 s MET 64 CO 0.20 -0.55 1.52 -2.30 -2.03 0.00 0.00 175.02 171.86 1fj2 n PRO 65 N -0.33 1.91 -3.65 3.16 -0.02 -1.26 -2.12 135.00 132.70 1fj2 n PRO 65 Ca -0.13 0.69 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 1fj2 n PRO 65 Cb 0.63 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1fj2 n PRO 65 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fj2 s SER 66 N 0.81 -0.87 0.30 2.55 1.04 0.09 -4.61 113.70 113.01 1fj2 s SER 66 Ca 0.80 1.39 0.10 0.00 0.48 0.00 0.00 55.95 58.72 1fj2 s SER 66 Cb -0.74 1.47 0.45 0.00 0.10 0.00 0.00 66.02 67.29 1fj2 s SER 66 CO 0.40 -0.23 1.67 -0.50 0.98 0.00 0.00 173.24 175.56 1fj2 h TRP 67 N 7.30 0.07 -2.17 5.02 4.06 -1.91 -3.37 115.95 124.94 1fj2 h TRP 67 Ca -0.28 -0.02 0.17 0.00 2.06 0.00 0.00 58.89 60.82 1fj2 h TRP 67 Cb 1.19 -0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 29.22 1fj2 h TRP 67 CO 0.12 0.57 0.55 -0.59 -3.56 0.00 0.00 178.44 175.53 1fj2 s PHE 68 N -3.84 -0.20 0.49 0.49 -0.71 -1.26 -4.59 117.98 108.36 1fj2 s PHE 68 Ca -0.02 -0.01 -0.20 0.00 -1.04 0.00 0.00 56.93 55.66 1fj2 s PHE 68 Cb 0.13 0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 42.44 1fj2 s PHE 68 CO 0.76 -0.63 1.04 0.34 -1.34 0.00 0.00 175.22 175.39 1fj2 s ASP 69 N -2.73 6.33 -0.09 1.98 2.15 -1.26 -5.05 116.67 117.99 1fj2 s ASP 69 Ca 0.10 1.91 0.03 0.00 0.43 0.00 0.00 52.55 55.01 1fj2 s ASP 69 Cb -0.01 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 1fj2 s ASP 69 CO -0.03 -0.79 -0.20 -0.51 -0.17 0.00 0.00 175.17 173.47 1fj2 s ILE 70 N -2.03 1.74 -0.26 4.11 1.10 -1.26 -4.23 121.20 120.36 1fj2 s ILE 70 Ca 0.67 -0.82 -0.01 0.00 -0.51 0.00 0.00 60.65 59.98 1fj2 s ILE 70 Cb -0.16 -1.53 -0.16 0.00 0.15 0.00 0.00 42.46 40.76 1fj2 s ILE 70 CO 0.21 0.49 -0.25 -0.38 -2.11 0.00 0.00 174.94 172.90 1fj2 n ILE 71 N 3.70 1.49 -3.87 2.00 -0.00 -1.26 -0.82 119.36 120.59 1fj2 n ILE 71 Ca -0.20 -0.54 -0.08 0.00 -0.00 0.00 0.00 62.75 61.93 1fj2 n ILE 71 Cb 0.52 -1.50 -0.02 0.00 -0.00 0.00 0.00 39.64 38.65 1fj2 n ILE 71 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1fj2 s GLY 72 N -6.34 0.11 -0.31 7.39 0.00 -1.26 -4.28 107.32 102.61 1fj2 s GLY 72 Ca -0.36 -0.49 0.10 0.00 0.00 0.00 0.00 44.72 43.98 1fj2 s GLY 72 CO 0.58 -0.22 1.15 1.04 0.00 0.00 0.00 173.10 175.65 1fj2 n LEU 73 N -0.47 4.02 -4.92 0.66 4.77 -1.26 -4.82 117.00 114.99 1fj2 n LEU 73 Ca -0.04 -4.44 -0.21 0.00 -0.03 0.00 0.00 56.01 51.29 1fj2 n LEU 73 Cb 0.60 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1fj2 n LEU 73 CO 0.18 1.89 -0.05 -0.94 -1.33 0.00 0.00 177.39 177.14 1fj2 s SER 74 N -3.60 5.84 0.54 -1.43 1.04 -1.26 -4.78 113.70 110.05 1fj2 s SER 74 Ca 0.44 -0.18 0.28 0.00 0.48 0.00 0.00 55.95 56.97 1fj2 s SER 74 Cb 0.39 -1.41 1.55 0.00 0.10 0.00 0.00 66.02 66.65 1fj2 s SER 74 CO -0.02 -0.22 2.12 -0.65 0.98 0.00 0.00 173.24 175.46 1fj2 h PRO 75 N 1.18 0.00 0.00 4.02 0.11 -2.02 0.20 132.00 135.49 1fj2 h PRO 75 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fj2 h PRO 75 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1fj2 h PRO 75 CO 0.58 0.09 0.00 -3.47 -0.21 0.00 0.00 178.00 174.99 1fj2 n ASP 76 N -3.69 0.00 -4.77 -2.05 -0.08 -1.26 -4.98 116.55 99.72 1fj2 n ASP 76 Ca -0.02 0.49 -0.38 0.00 -1.51 0.00 0.00 54.79 53.37 1fj2 n ASP 76 Cb 0.20 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.16 1fj2 n ASP 76 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1fj2 s SER 77 N -3.00 6.04 0.37 1.67 0.01 0.70 -4.98 113.70 114.51 1fj2 s SER 77 Ca 0.14 2.49 -0.26 0.00 1.31 0.00 0.00 55.95 59.63 1fj2 s SER 77 Cb 0.19 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1fj2 s SER 77 CO 0.52 -1.02 1.18 -1.10 0.41 0.00 0.00 173.24 173.23 1fj2 s GLN 78 N -2.60 4.18 0.15 12.44 -1.52 -1.26 -4.98 119.66 126.07 1fj2 s GLN 78 Ca 0.63 1.89 0.10 0.00 -1.95 0.00 0.00 55.36 56.02 1fj2 s GLN 78 Cb -0.34 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 1fj2 s GLN 78 CO 0.41 -0.23 -0.18 -1.21 -0.25 0.00 0.00 175.29 173.84 1fj2 s GLU 79 N -2.11 1.77 -1.31 2.91 2.02 -1.26 -4.38 118.70 116.34 1fj2 s GLU 79 Ca 0.54 -1.28 -0.17 0.00 0.02 0.00 0.00 54.97 54.08 1fj2 s GLU 79 Cb -0.32 -2.06 0.07 0.00 0.10 0.00 0.00 34.13 31.92 1fj2 s GLU 79 CO 0.41 0.45 1.76 -3.47 0.02 0.00 0.00 175.26 174.43 1fj2 n ASP 80 N 0.53 4.88 -0.13 -0.19 2.03 -1.26 -4.82 116.55 117.59 1fj2 n ASP 80 Ca -0.14 -2.92 -0.08 0.00 0.52 0.00 0.00 54.79 52.18 1fj2 n ASP 80 Cb 0.54 -1.73 0.01 0.00 -0.72 0.00 0.00 41.12 39.22 1fj2 n ASP 80 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1fj2 h GLU 81 N 7.42 0.50 -0.11 -0.67 4.81 -1.96 0.76 114.58 125.33 1fj2 h GLU 81 Ca 0.45 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.51 1fj2 h GLU 81 Cb 0.85 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1fj2 h GLU 81 CO 1.48 0.33 -0.55 0.66 -0.73 0.00 0.00 179.01 180.20 1fj2 h SER 82 N 0.52 0.36 0.14 1.04 4.64 -2.00 -1.17 113.55 117.09 1fj2 h SER 82 Ca 0.16 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1fj2 h SER 82 Cb -0.03 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1fj2 h SER 82 CO -0.05 0.84 -0.61 1.23 -0.87 0.00 0.00 176.83 177.37 1fj2 h GLY 83 N 1.31 0.51 0.85 -0.77 0.00 -1.72 -0.86 103.07 102.39 1fj2 h GLY 83 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1fj2 h GLY 83 CO 0.09 0.56 -0.06 -2.22 0.00 0.00 0.00 176.54 174.91 1fj2 h ILE 84 N 0.34 0.96 -0.84 2.60 2.04 -0.62 0.01 117.51 122.00 1fj2 h ILE 84 Ca -0.01 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1fj2 h ILE 84 Cb 1.15 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 1fj2 h ILE 84 CO 0.11 0.08 0.51 0.11 0.00 0.00 0.00 178.15 178.96 1fj2 h LYS 85 N -0.32 0.90 -0.52 2.37 1.57 -1.16 0.25 116.57 119.66 1fj2 h LYS 85 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1fj2 h LYS 85 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1fj2 h LYS 85 CO 0.03 0.60 0.29 0.37 -0.57 0.00 0.00 179.45 180.17 1fj2 h GLN 86 N 0.93 0.72 -0.70 3.15 4.15 -1.09 -1.14 115.11 121.13 1fj2 h GLN 86 Ca 0.37 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 1fj2 h GLN 86 Cb 0.19 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1fj2 h GLN 86 CO -0.18 0.55 0.19 0.00 -1.93 0.00 0.00 178.83 177.46 1fj2 h ALA 87 N 1.13 0.92 -0.79 3.38 0.00 -0.49 -2.15 119.26 121.26 1fj2 h ALA 87 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1fj2 h ALA 87 Cb 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1fj2 h ALA 87 CO -0.03 0.62 0.51 0.00 0.00 0.00 0.00 179.25 180.35 1fj2 h ALA 88 N 1.09 1.03 -0.64 0.00 0.00 -0.13 -0.25 119.26 120.36 1fj2 h ALA 88 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fj2 h ALA 88 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1fj2 h ALA 88 CO -0.00 0.33 0.35 0.93 0.00 0.00 0.00 179.25 180.86 1fj2 h GLU 89 N 0.99 0.89 -0.39 0.00 4.39 -0.69 -0.01 114.58 119.75 1fj2 h GLU 89 Ca 0.31 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 1fj2 h GLU 89 Cb -0.01 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1fj2 h GLU 89 CO -0.10 0.65 -0.13 -0.91 -1.16 0.00 0.00 179.01 177.35 1fj2 h ASN 90 N 0.89 0.70 -0.25 1.42 2.35 -0.73 -1.53 115.58 118.44 1fj2 h ASN 90 Ca 0.23 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1fj2 h ASN 90 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1fj2 h ASN 90 CO -0.04 0.85 -0.39 0.40 -1.65 0.00 0.00 177.43 176.61 1fj2 h ILE 91 N 0.64 1.28 -0.73 2.81 1.08 -0.20 -0.75 117.51 121.65 1fj2 h ILE 91 Ca 0.11 -1.56 0.02 0.00 -0.39 0.00 0.00 64.86 63.03 1fj2 h ILE 91 Cb 0.59 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 1fj2 h ILE 91 CO 0.04 0.51 0.48 0.11 -0.69 0.00 0.00 178.15 178.60 1fj2 h LYS 92 N 0.65 0.91 -0.67 2.37 1.57 -0.89 -0.11 116.57 120.40 1fj2 h LYS 92 Ca 0.05 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1fj2 h LYS 92 Cb 0.95 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1fj2 h LYS 92 CO 0.09 0.61 0.15 0.00 -0.57 0.00 0.00 179.45 179.73 1fj2 h ALA 93 N 1.56 0.99 -0.52 3.86 0.00 -0.82 -0.13 119.26 124.20 1fj2 h ALA 93 Ca 0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1fj2 h ALA 93 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1fj2 h ALA 93 CO -0.07 0.65 -0.13 1.25 0.00 0.00 0.00 179.25 180.95 1fj2 h LEU 94 N 1.02 1.00 -0.14 0.00 5.85 0.04 0.02 115.31 123.11 1fj2 h LEU 94 Ca 0.21 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1fj2 h LEU 94 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1fj2 h LEU 94 CO 0.00 1.13 0.08 0.40 -0.34 0.00 0.00 178.44 179.71 1fj2 h ILE 95 N 0.88 1.08 -0.94 4.05 2.04 -0.82 -2.32 117.51 121.48 1fj2 h ILE 95 Ca 0.13 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.92 1fj2 h ILE 95 Cb 0.69 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 1fj2 h ILE 95 CO 0.05 0.07 0.60 -0.78 0.00 0.00 0.00 178.15 178.09 1fj2 h ASP 96 N 0.14 0.76 -0.95 1.72 3.58 -0.68 0.10 116.42 121.09 1fj2 h ASP 96 Ca 0.05 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1fj2 h ASP 96 Cb 0.05 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1fj2 h ASP 96 CO -0.01 0.38 0.57 1.56 -2.88 0.00 0.00 179.24 178.86 1fj2 h GLN 97 N 0.80 1.29 -0.59 0.28 4.20 -0.46 0.10 115.11 120.74 1fj2 h GLN 97 Ca 0.47 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 1fj2 h GLN 97 Cb 0.65 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1fj2 h GLN 97 CO -0.24 0.91 0.10 0.93 -0.67 0.00 0.00 178.83 179.86 1fj2 h GLU 98 N 1.31 0.98 -0.39 1.46 4.39 -0.83 -2.07 114.58 119.42 1fj2 h GLU 98 Ca 0.34 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1fj2 h GLU 98 Cb -0.05 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1fj2 h GLU 98 CO -0.06 0.92 0.23 0.28 -1.16 0.00 0.00 179.01 179.22 1fj2 h VAL 99 N 0.88 1.14 0.00 3.13 2.07 -0.41 -2.08 116.25 120.98 1fj2 h VAL 99 Ca 0.18 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1fj2 h VAL 99 Cb 0.42 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1fj2 h VAL 99 CO 0.01 0.14 -0.03 0.11 0.02 0.00 0.00 177.57 177.82 1fj2 h LYS 100 N 0.51 0.00 -0.11 1.57 1.57 -0.76 -1.87 116.57 117.47 1fj2 h LYS 100 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1fj2 h LYS 100 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1fj2 h LYS 100 CO -0.02 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1fj2 n ASN 101 N -3.26 0.87 0.00 0.86 4.13 -0.78 -4.93 115.26 112.15 1fj2 n ASN 101 Ca -0.02 -1.67 0.00 0.00 1.68 0.00 0.00 54.58 54.57 1fj2 n ASN 101 Cb 0.17 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1fj2 n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fj2 n GLY 102 N 0.92 0.68 3.45 7.41 0.00 -0.70 -5.06 105.19 111.88 1fj2 n GLY 102 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1fj2 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fj2 s ILE 103 N -2.00 4.68 0.60 -0.61 1.01 -0.91 -5.02 121.20 118.96 1fj2 s ILE 103 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 1fj2 s ILE 103 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1fj2 s ILE 103 CO 0.00 0.03 1.17 -2.16 0.00 0.00 0.00 174.94 173.98 1fj2 s PRO 104 N 1.62 2.97 0.49 2.79 0.04 -1.26 -3.18 135.00 138.47 1fj2 s PRO 104 Ca 0.05 1.69 0.18 0.00 0.04 0.00 0.00 61.00 62.96 1fj2 s PRO 104 Cb -0.17 -1.95 1.20 0.00 0.04 0.00 0.00 34.50 33.62 1fj2 s PRO 104 CO 0.07 -1.17 2.06 0.66 0.04 0.00 0.00 177.00 178.65 1fj2 h SER 105 N 0.72 0.00 0.00 6.66 4.64 -1.93 0.64 113.55 124.28 1fj2 h SER 105 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1fj2 h SER 105 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1fj2 h SER 105 CO 0.55 0.13 0.00 -0.46 -0.87 0.00 0.00 176.83 176.18 1fj2 n ASN 106 N -4.19 0.00 -1.16 4.97 0.23 -0.91 -1.33 115.26 112.88 1fj2 n ASN 106 Ca -0.02 -1.06 -0.02 0.00 -0.53 0.00 0.00 54.58 52.95 1fj2 n ASN 106 Cb 0.20 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.12 1fj2 n ASN 106 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1fj2 n ARG 107 N -0.81 2.17 -4.65 -3.83 5.12 0.21 -4.12 116.66 110.75 1fj2 n ARG 107 Ca 0.12 -3.08 -0.28 0.00 -1.93 0.00 0.00 57.85 52.68 1fj2 n ARG 107 Cb 0.05 -1.85 -0.17 0.00 -1.16 0.00 0.00 32.46 29.34 1fj2 n ARG 107 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1fj2 s ILE 108 N -3.13 1.47 -0.17 0.55 1.01 -0.44 -1.61 121.20 118.87 1fj2 s ILE 108 Ca 0.45 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 1fj2 s ILE 108 Cb 0.39 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1fj2 s ILE 108 CO 0.03 0.43 0.12 -0.63 0.00 0.00 0.00 174.94 174.89 1fj2 s ILE 109 N 0.75 5.32 -0.15 2.92 1.01 -0.41 -0.35 121.20 130.30 1fj2 s ILE 109 Ca -0.12 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1fj2 s ILE 109 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1fj2 s ILE 109 CO 0.02 0.50 0.05 -0.22 0.00 0.00 0.00 174.94 175.29 1fj2 s LEU 110 N -0.10 3.78 0.34 2.97 2.96 -0.78 -1.24 118.68 126.61 1fj2 s LEU 110 Ca 0.10 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 1fj2 s LEU 110 Cb -0.11 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1fj2 s LEU 110 CO 0.00 0.26 0.59 -0.83 -1.32 0.00 0.00 176.35 175.05 1fj2 s GLY 111 N -0.15 0.89 -0.06 7.98 0.00 0.17 -2.19 107.32 113.96 1fj2 s GLY 111 Ca 0.07 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1fj2 s GLY 111 CO 0.01 -0.67 1.33 -0.32 0.00 0.00 0.00 173.10 173.46 1fj2 s GLY 112 N -3.13 -0.17 -0.09 0.20 0.00 -0.35 -0.48 107.32 103.29 1fj2 s GLY 112 Ca 0.23 0.10 0.04 0.00 0.00 0.00 0.00 44.72 45.09 1fj2 s GLY 112 CO 0.15 6.41 -0.23 -0.12 0.00 0.00 0.00 173.10 179.31 1fj2 s PHE 113 N -2.01 2.56 0.00 1.90 5.36 -0.23 -1.03 117.98 124.53 1fj2 s PHE 113 Ca 0.31 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1fj2 s PHE 113 Cb -0.00 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1fj2 s PHE 113 CO -0.02 -0.36 0.00 0.45 -1.46 0.00 0.00 175.22 173.83 1fj2 n SER 114 N 3.41 0.00 0.25 6.13 2.88 -0.12 -1.10 113.62 125.07 1fj2 n SER 114 Ca -0.19 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.47 1fj2 n SER 114 Cb 0.53 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.65 1fj2 n SER 114 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1fj2 h GLN 115 N 0.00 0.00 -0.14 -1.46 3.07 -1.86 0.87 115.11 115.58 1fj2 h GLN 115 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1fj2 h GLN 115 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1fj2 h GLN 115 CO 0.00 0.15 -0.30 0.78 0.09 0.00 0.00 178.83 179.55 1fj2 h GLY 116 N 1.08 0.29 1.14 0.06 0.00 -0.98 0.31 103.07 104.98 1fj2 h GLY 116 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1fj2 h GLY 116 CO 0.02 0.22 -0.54 -1.33 0.00 0.00 0.00 176.54 174.91 1fj2 h GLY 117 N 1.05 0.97 0.61 4.60 0.00 -0.76 -0.94 103.07 108.60 1fj2 h GLY 117 Ca 0.03 -1.13 0.05 0.00 0.00 0.00 0.00 47.33 46.29 1fj2 h GLY 117 CO 0.05 1.01 0.11 0.00 0.00 0.00 0.00 176.54 177.71 1fj2 h ALA 118 N 0.68 0.44 -0.61 3.60 0.00 -0.94 -0.75 119.26 121.69 1fj2 h ALA 118 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1fj2 h ALA 118 Cb 1.15 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1fj2 h ALA 118 CO 0.12 -0.28 0.21 1.25 0.00 0.00 0.00 179.25 180.55 1fj2 h LEU 119 N 0.26 0.84 -0.68 0.00 5.85 -0.91 -1.13 115.31 119.54 1fj2 h LEU 119 Ca 0.18 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1fj2 h LEU 119 Cb 0.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1fj2 h LEU 119 CO -0.21 0.78 0.32 0.28 -0.34 0.00 0.00 178.44 179.27 1fj2 h SER 120 N 0.89 0.91 -0.20 1.25 0.02 -0.61 0.38 113.55 116.19 1fj2 h SER 120 Ca 0.20 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1fj2 h SER 120 Cb 0.23 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1fj2 h SER 120 CO -0.01 0.80 0.10 -0.07 -1.14 0.00 0.00 176.83 176.50 1fj2 h LEU 121 N 0.96 0.26 -0.60 5.07 3.38 -0.87 -0.93 115.31 122.58 1fj2 h LEU 121 Ca 0.23 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1fj2 h LEU 121 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1fj2 h LEU 121 CO -0.03 0.30 0.35 0.22 0.09 0.00 0.00 178.44 179.38 1fj2 h TYR 122 N 0.20 0.66 -0.12 1.13 3.20 -1.04 -1.75 116.97 119.25 1fj2 h TYR 122 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1fj2 h TYR 122 Cb 0.11 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1fj2 h TYR 122 CO -0.03 0.36 -0.04 1.15 -1.64 0.00 0.00 178.16 177.97 1fj2 h THR 123 N 0.69 1.30 -0.42 1.81 2.02 -0.85 -2.74 112.91 114.72 1fj2 h THR 123 Ca 0.25 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1fj2 h THR 123 Cb 0.06 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1fj2 h THR 123 CO -0.12 0.29 -0.07 0.00 0.37 0.00 0.00 175.52 175.99 1fj2 h ALA 124 N 0.68 1.10 0.00 6.16 0.00 -0.91 -1.91 119.26 124.37 1fj2 h ALA 124 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1fj2 h ALA 124 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fj2 h ALA 124 CO 0.01 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1fj2 n LEU 125 N -4.19 0.00 0.00 0.00 4.77 -0.68 -3.73 117.00 113.17 1fj2 n LEU 125 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1fj2 n LEU 125 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1fj2 n LEU 125 CO 0.42 0.00 0.12 0.35 -1.33 0.00 0.00 177.39 176.94 1fj2 n THR 126 N -0.96 0.00 -3.83 -5.08 -2.24 -0.94 -5.05 114.28 96.19 1fj2 n THR 126 Ca 0.21 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1fj2 n THR 126 Cb 0.10 1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1fj2 n THR 126 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fj2 s THR 127 N -0.04 5.29 -0.80 4.28 -1.32 -0.76 -4.99 115.64 117.30 1fj2 s THR 127 Ca 0.00 -0.36 0.16 0.00 -1.21 0.00 0.00 61.69 60.28 1fj2 s THR 127 Cb 0.00 -3.67 0.74 0.00 -1.51 0.00 0.00 72.50 68.05 1fj2 s THR 127 CO 0.00 0.00 1.64 0.00 -2.21 0.00 0.00 174.62 174.05 1fj2 n GLN 128 N -0.13 4.10 -2.41 7.08 1.13 -1.26 -4.50 117.38 121.38 1fj2 n GLN 128 Ca -0.05 -2.87 -0.43 0.00 -1.94 0.00 0.00 57.00 51.72 1fj2 n GLN 128 Cb 0.52 -2.03 -0.02 0.00 0.11 0.00 0.00 30.24 28.82 1fj2 n GLN 128 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1fj2 s GLN 129 N -2.19 4.23 0.02 -1.09 -0.21 -1.26 -4.72 119.66 114.45 1fj2 s GLN 129 Ca 0.51 1.68 -0.30 0.00 0.02 0.00 0.00 55.36 57.26 1fj2 s GLN 129 Cb 0.35 -3.76 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 1fj2 s GLN 129 CO 0.20 -0.70 1.21 0.21 -2.12 0.00 0.00 175.29 174.09 1fj2 s LYS 130 N 3.48 4.40 0.29 2.91 2.20 -1.26 -4.80 119.74 126.96 1fj2 s LYS 130 Ca 0.55 1.74 0.10 0.00 -0.36 0.00 0.00 55.97 58.00 1fj2 s LYS 130 Cb -0.22 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1fj2 s LYS 130 CO 0.15 -0.33 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.26 1fj2 s LEU 131 N 1.53 3.01 0.41 5.43 1.43 -1.26 -2.14 118.68 127.09 1fj2 s LEU 131 Ca 0.58 -0.83 0.22 0.00 -1.03 0.00 0.00 54.13 53.07 1fj2 s LEU 131 Cb -0.28 -1.49 0.41 0.00 0.03 0.00 0.00 46.19 44.87 1fj2 s LEU 131 CO 0.27 -0.07 1.62 0.00 0.23 0.00 0.00 176.35 178.40 1fj2 h ALA 132 N 1.93 0.92 0.00 4.21 0.00 -0.73 -3.46 119.26 122.13 1fj2 h ALA 132 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1fj2 h ALA 132 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fj2 h ALA 132 CO 0.62 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1fj2 n GLY 133 N 0.96 1.71 2.97 0.00 0.00 -1.25 -4.36 105.19 105.21 1fj2 n GLY 133 Ca 0.03 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1fj2 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fj2 s VAL 134 N -2.00 0.57 -0.29 1.61 1.01 -0.35 -1.86 120.40 119.10 1fj2 s VAL 134 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1fj2 s VAL 134 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.93 1fj2 s VAL 134 CO 0.00 0.18 -0.03 0.28 0.00 0.00 0.00 175.10 175.53 1fj2 s THR 135 N 0.07 2.83 -0.33 3.92 -1.32 -0.93 -1.42 115.64 118.47 1fj2 s THR 135 Ca -0.01 -1.40 -0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1fj2 s THR 135 Cb -0.06 -2.62 0.06 0.00 -1.51 0.00 0.00 72.50 68.37 1fj2 s THR 135 CO -0.00 -0.07 0.06 0.00 -2.21 0.00 0.00 174.62 172.40 1fj2 s ALA 136 N 1.23 2.93 -0.16 11.08 0.00 -0.07 -1.21 121.76 135.56 1fj2 s ALA 136 Ca -0.06 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 1fj2 s ALA 136 Cb -0.20 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1fj2 s ALA 136 CO -0.02 -1.37 -0.04 -0.51 0.00 0.00 0.00 175.76 173.82 1fj2 s LEU 137 N 1.28 3.19 -1.26 0.00 1.43 -0.20 -1.37 118.68 121.75 1fj2 s LEU 137 Ca -0.02 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1fj2 s LEU 137 Cb -0.20 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1fj2 s LEU 137 CO -0.01 0.14 0.60 -1.20 0.23 0.00 0.00 176.35 176.12 1fj2 n SER 138 N 3.70 -3.37 -0.02 2.29 7.64 0.81 -0.95 113.62 123.73 1fj2 n SER 138 Ca -0.17 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1fj2 n SER 138 Cb 0.52 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.34 1fj2 n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fj2 s TRP 140 N -1.38 0.11 -0.32 0.00 -2.14 -1.26 -3.69 118.94 110.25 1fj2 s TRP 140 Ca 0.00 -0.46 -0.17 0.00 2.66 0.00 0.00 56.10 58.12 1fj2 s TRP 140 Cb 0.00 0.21 -0.01 0.00 -3.10 0.00 0.00 33.47 30.57 1fj2 s TRP 140 CO 0.00 -0.85 0.48 -1.17 -2.66 0.00 0.00 176.95 172.75 1fj2 s LEU 141 N -2.92 4.26 0.57 -4.66 2.96 -1.26 -3.93 118.68 113.70 1fj2 s LEU 141 Ca 0.13 0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.95 1fj2 s LEU 141 Cb 0.01 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1fj2 s LEU 141 CO -0.01 -0.40 1.13 -2.84 -1.32 0.00 0.00 176.35 172.92 1fj2 s PRO 142 N 2.30 3.23 -1.40 0.98 0.02 -1.26 -3.75 135.00 135.11 1fj2 s PRO 142 Ca 0.18 1.58 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 1fj2 s PRO 142 Cb -0.16 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 32.39 1fj2 s PRO 142 CO 0.12 -0.95 0.59 1.28 -0.33 0.00 0.00 177.00 177.71 1fj2 n LEU 143 N -1.53 -2.52 -0.23 -5.54 4.77 -1.26 -4.85 117.00 105.83 1fj2 n LEU 143 Ca 0.11 -0.92 -0.06 0.00 -0.03 0.00 0.00 56.01 55.11 1fj2 n LEU 143 Cb 0.51 -2.39 0.08 0.00 -2.33 0.00 0.00 43.42 39.28 1fj2 n LEU 143 CO 0.43 0.42 0.95 -0.09 -1.33 0.00 0.00 177.39 177.77 1fj2 h ARG 144 N -1.85 1.08 0.00 3.23 2.43 -1.99 -1.68 114.38 115.61 1fj2 h ARG 144 Ca -0.62 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 1fj2 h ARG 144 Cb 1.37 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1fj2 h ARG 144 CO 0.62 0.96 0.00 0.00 -1.51 0.00 0.00 179.97 180.03 1fj2 n ALA 145 N -2.46 1.52 0.81 2.80 0.00 -1.26 -1.77 120.51 120.15 1fj2 n ALA 145 Ca 0.05 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1fj2 n ALA 145 Cb 0.26 -1.26 0.43 0.00 0.00 0.00 0.00 19.45 18.88 1fj2 n ALA 145 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fj2 n SER 146 N -1.79 0.45 -4.89 0.00 3.41 -0.63 -4.89 113.62 105.28 1fj2 n SER 146 Ca 0.02 0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 58.70 1fj2 n SER 146 Cb 0.15 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1fj2 n SER 146 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1fj2 s PHE 147 N -3.06 3.55 0.69 7.33 0.40 -0.73 -5.05 117.98 121.12 1fj2 s PHE 147 Ca 0.11 1.01 -0.17 0.00 -0.60 0.00 0.00 56.93 57.28 1fj2 s PHE 147 Cb 0.16 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1fj2 s PHE 147 CO 0.61 -0.34 0.66 -2.30 0.70 0.00 0.00 175.22 174.55 1fj2 n PRO 148 N -2.13 0.43 0.00 0.24 -0.02 -1.26 -4.92 135.00 127.34 1fj2 n PRO 148 Ca 0.03 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1fj2 n PRO 148 Cb 0.55 -1.93 0.78 0.00 -0.02 0.00 0.00 33.50 32.88 1fj2 n PRO 148 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fj2 n GLN 149 N -0.91 0.92 0.00 -0.52 6.02 -1.26 -4.86 117.38 116.76 1fj2 n GLN 149 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1fj2 n GLN 149 Cb 0.49 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1fj2 n GLN 149 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fj2 n GLY 150 N 0.79 5.58 3.75 1.08 0.00 -1.26 -4.93 105.19 110.20 1fj2 n GLY 150 Ca 0.20 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 1fj2 n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fj2 s PRO 151 N 1.64 2.83 0.13 1.61 0.04 -1.04 -4.06 135.00 136.15 1fj2 s PRO 151 Ca 0.00 1.89 0.18 0.00 0.04 0.00 0.00 61.00 63.10 1fj2 s PRO 151 Cb 0.00 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1fj2 s PRO 151 CO 0.00 -1.33 0.97 -0.84 0.04 0.00 0.00 177.00 175.84 1fj2 h ILE 152 N 0.75 0.43 -0.95 0.56 3.07 -1.37 -3.47 117.51 116.54 1fj2 h ILE 152 Ca -0.50 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.11 1fj2 h ILE 152 Cb 1.31 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.83 1fj2 h ILE 152 CO 0.54 0.25 0.00 0.61 -1.05 0.00 0.00 178.15 178.50 1fj2 n GLY 153 N 1.32 -0.50 7.00 0.16 0.00 -1.26 -5.02 105.19 106.89 1fj2 n GLY 153 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1fj2 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fj2 n GLY 154 N 0.00 -1.01 0.17 -0.02 0.00 -1.26 -3.85 105.19 99.22 1fj2 n GLY 154 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1fj2 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fj2 h ALA 155 N -0.36 1.18 -0.56 4.61 0.00 -1.84 -2.84 119.26 119.45 1fj2 h ALA 155 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1fj2 h ALA 155 Cb 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 1fj2 h ALA 155 CO 0.00 0.56 0.17 0.09 0.00 0.00 0.00 179.25 180.07 1fj2 n ASN 156 N -3.89 3.75 0.30 0.00 3.02 -1.26 -4.62 115.26 112.56 1fj2 n ASN 156 Ca -0.01 -3.41 0.17 0.00 -0.03 0.00 0.00 54.58 51.29 1fj2 n ASN 156 Cb 0.49 -0.68 0.97 0.00 -0.61 0.00 0.00 39.78 39.94 1fj2 n ASN 156 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1fj2 h ARG 157 N 1.72 0.00 -0.18 3.52 0.11 -1.61 -1.86 114.38 116.08 1fj2 h ARG 157 Ca 0.25 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.26 1fj2 h ARG 157 Cb 2.02 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 33.06 1fj2 h ARG 157 CO 0.58 0.01 -0.16 -0.25 0.10 0.00 0.00 179.97 180.25 1fj2 n ASP 158 N -3.65 2.50 -4.79 0.08 8.00 -1.26 -1.83 116.55 115.60 1fj2 n ASP 158 Ca -0.03 -3.55 -0.35 0.00 0.71 0.00 0.00 54.79 51.57 1fj2 n ASP 158 Cb 0.10 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1fj2 n ASP 158 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1fj2 s ILE 159 N -3.11 3.64 0.07 0.53 2.07 -0.70 -4.88 121.20 118.82 1fj2 s ILE 159 Ca 0.40 1.11 -0.25 0.00 -1.41 0.00 0.00 60.65 60.50 1fj2 s ILE 159 Cb 0.36 -3.50 -0.06 0.00 0.13 0.00 0.00 42.46 39.39 1fj2 s ILE 159 CO 0.00 -0.14 0.78 -0.44 -1.91 0.00 0.00 174.94 173.23 1fj2 s SER 160 N -1.78 7.26 -0.05 4.50 0.01 -1.26 -4.75 113.70 117.63 1fj2 s SER 160 Ca 0.65 1.50 0.01 0.00 1.31 0.00 0.00 55.95 59.42 1fj2 s SER 160 Cb -0.20 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1fj2 s SER 160 CO 0.24 0.05 -0.05 -0.63 0.41 0.00 0.00 173.24 173.26 1fj2 s ILE 161 N -0.24 0.57 -0.26 1.44 1.01 0.18 -1.21 121.20 122.69 1fj2 s ILE 161 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 1fj2 s ILE 161 Cb -0.21 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1fj2 s ILE 161 CO 0.24 0.24 0.05 -0.22 0.00 0.00 0.00 174.94 175.25 1fj2 s LEU 162 N 0.95 3.50 -0.15 2.97 2.96 -0.51 -0.61 118.68 127.79 1fj2 s LEU 162 Ca -0.11 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 1fj2 s LEU 162 Cb -0.14 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1fj2 s LEU 162 CO 0.00 -0.10 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.32 1fj2 s GLN 163 N 1.54 3.63 -0.01 1.98 2.00 -0.08 -0.89 119.66 127.83 1fj2 s GLN 163 Ca 0.05 -0.51 0.08 0.00 -2.00 0.00 0.00 55.36 52.98 1fj2 s GLN 163 Cb -0.16 -2.91 -0.02 0.00 0.80 0.00 0.00 33.01 30.72 1fj2 s GLN 163 CO 0.02 0.27 -0.26 0.00 -0.50 0.00 0.00 175.29 174.83 1fj2 s HIS 165 N -0.63 -0.19 0.21 0.00 2.46 -0.51 -0.13 115.29 116.51 1fj2 s HIS 165 Ca 0.10 0.29 -0.21 0.00 0.47 0.00 0.00 55.06 55.71 1fj2 s HIS 165 Cb -0.10 0.10 -0.08 0.00 -0.13 0.00 0.00 32.58 32.37 1fj2 s HIS 165 CO -0.01 -0.38 0.74 0.20 -2.47 0.00 0.00 174.74 172.82 1fj2 s GLY 166 N -1.26 2.69 0.00 1.59 0.00 -1.26 -1.54 107.32 107.54 1fj2 s GLY 166 Ca -0.13 0.22 0.31 0.00 0.00 0.00 0.00 44.72 45.12 1fj2 s GLY 166 CO 0.04 0.62 2.13 2.09 0.00 0.00 0.00 173.10 177.97 1fj2 n ASP 167 N 0.95 0.31 -1.14 1.64 5.75 -0.80 -3.67 116.55 119.59 1fj2 n ASP 167 Ca -0.03 -1.11 0.02 0.00 -0.01 0.00 0.00 54.79 53.66 1fj2 n ASP 167 Cb 0.50 -0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.72 1fj2 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fj2 s ASP 169 N -2.94 6.74 0.00 0.00 -1.08 -1.24 -4.20 116.67 113.95 1fj2 s ASP 169 Ca 0.37 0.77 0.26 0.00 -0.52 0.00 0.00 52.55 53.43 1fj2 s ASP 169 Cb 0.38 -2.45 0.74 0.00 -1.46 0.00 0.00 42.92 40.13 1fj2 s ASP 169 CO -0.09 -0.69 1.56 -0.81 0.52 0.00 0.00 175.17 175.66 1fj2 n PRO 170 N 6.39 0.37 -0.10 4.34 -0.04 -1.26 -4.21 135.00 140.48 1fj2 n PRO 170 Ca 0.06 -0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.16 1fj2 n PRO 170 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1fj2 n PRO 170 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fj2 n LEU 171 N -1.15 1.86 -4.24 1.53 4.77 -1.26 -4.87 117.00 113.65 1fj2 n LEU 171 Ca 0.09 0.32 -0.40 0.00 -0.03 0.00 0.00 56.01 55.99 1fj2 n LEU 171 Cb 0.33 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1fj2 n LEU 171 CO 0.30 0.04 -0.09 -0.69 -1.33 0.00 0.00 177.39 175.62 1fj2 s VAL 172 N -2.70 4.14 0.47 4.08 1.01 -1.26 -4.85 120.40 121.29 1fj2 s VAL 172 Ca -0.31 -1.56 -0.24 0.00 0.00 0.00 0.00 61.98 59.87 1fj2 s VAL 172 Cb 0.08 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1fj2 s VAL 172 CO 0.42 -0.60 1.27 -2.65 0.00 0.00 0.00 175.10 173.55 1fj2 n PRO 173 N 4.89 1.81 -0.28 2.72 -0.02 -1.26 -4.71 135.00 138.15 1fj2 n PRO 173 Ca -0.09 0.65 0.23 0.00 -2.02 0.00 0.00 63.50 62.27 1fj2 n PRO 173 Cb 0.42 -2.42 0.55 0.00 -0.02 0.00 0.00 33.50 32.03 1fj2 n PRO 173 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fj2 h LEU 174 N 1.82 0.36 -1.22 2.45 5.85 -1.80 0.29 115.31 123.07 1fj2 h LEU 174 Ca -0.49 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.47 1fj2 h LEU 174 Cb 1.30 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.23 1fj2 h LEU 174 CO 0.59 0.11 0.61 -0.03 -0.34 0.00 0.00 178.44 179.37 1fj2 h MET 175 N 0.34 0.62 -0.65 1.25 4.05 -1.96 -0.52 114.93 118.06 1fj2 h MET 175 Ca 0.53 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.90 1fj2 h MET 175 Cb 1.44 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 1fj2 h MET 175 CO -0.20 0.41 0.37 0.74 0.23 0.00 0.00 176.91 178.46 1fj2 h PHE 176 N 0.64 0.88 -0.14 1.39 -1.00 -1.25 0.81 116.94 118.26 1fj2 h PHE 176 Ca 0.53 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.29 1fj2 h PHE 176 Cb 0.98 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1fj2 h PHE 176 CO -0.00 0.62 0.07 0.78 -1.61 0.00 0.00 178.31 178.16 1fj2 h GLY 177 N 0.89 0.22 0.98 -1.45 0.00 -1.23 -0.53 103.07 101.94 1fj2 h GLY 177 Ca 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1fj2 h GLY 177 CO -0.04 0.10 0.19 1.76 0.00 0.00 0.00 176.54 178.55 1fj2 h SER 178 N 0.11 0.32 -0.02 0.19 0.02 -0.65 -0.48 113.55 113.02 1fj2 h SER 178 Ca 0.05 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1fj2 h SER 178 Cb 0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1fj2 h SER 178 CO -0.01 0.23 -0.26 0.17 -1.14 0.00 0.00 176.83 175.83 1fj2 h LEU 179 N 0.39 0.45 -0.21 5.07 8.10 -0.81 -1.73 115.31 126.57 1fj2 h LEU 179 Ca 0.11 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1fj2 h LEU 179 Cb -0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.06 1fj2 h LEU 179 CO -0.03 0.70 0.04 0.74 -4.11 0.00 0.00 178.44 175.77 1fj2 h THR 180 N 0.39 1.22 -0.98 0.15 2.02 -0.68 -1.81 112.91 113.23 1fj2 h THR 180 Ca 0.06 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1fj2 h THR 180 Cb 0.66 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1fj2 h THR 180 CO 0.05 0.23 0.65 1.62 0.37 0.00 0.00 175.52 178.43 1fj2 h VAL 181 N 0.15 1.24 -0.48 3.16 3.04 -0.89 0.22 116.25 122.69 1fj2 h VAL 181 Ca 0.06 -0.45 0.06 0.00 -1.01 0.00 0.00 66.70 65.36 1fj2 h VAL 181 Cb 0.31 -0.19 -0.05 0.00 -2.01 0.00 0.00 31.29 29.34 1fj2 h VAL 181 CO 0.00 0.24 0.17 -0.08 -1.01 0.00 0.00 177.57 176.90 1fj2 h GLU 182 N 1.32 0.34 -0.50 4.17 4.81 -1.15 -0.16 114.58 123.41 1fj2 h GLU 182 Ca 0.36 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 1fj2 h GLU 182 Cb -0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1fj2 h GLU 182 CO -0.08 0.23 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.05 1fj2 h LYS 183 N 0.35 0.99 -0.20 1.92 1.63 -0.55 -2.75 116.57 117.96 1fj2 h LYS 183 Ca 0.23 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1fj2 h LYS 183 Cb 0.23 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1fj2 h LYS 183 CO -0.23 1.07 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.68 1fj2 h LEU 184 N 0.85 0.29 -1.30 5.20 3.38 -0.02 -1.18 115.31 122.53 1fj2 h LEU 184 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fj2 h LEU 184 Cb 0.72 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1fj2 h LEU 184 CO 0.06 0.42 0.00 0.11 0.09 0.00 0.00 178.44 179.11 1fj2 h LYS 185 N 0.29 0.00 0.00 1.13 1.57 -0.74 -0.99 116.57 117.83 1fj2 h LYS 185 Ca 0.06 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 1fj2 h LYS 185 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1fj2 h LYS 185 CO 0.02 0.00 -1.71 0.25 -0.57 0.00 0.00 179.45 177.44 1fj2 n THR 186 N -2.91 1.51 -0.06 -0.16 -2.24 -0.64 -4.24 114.28 105.54 1fj2 n THR 186 Ca 0.01 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.85 1fj2 n THR 186 Cb 0.29 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 1fj2 n THR 186 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1fj2 h LEU 187 N 0.00 0.96 -9.50 3.22 3.38 -0.64 -2.76 115.31 109.97 1fj2 h LEU 187 Ca -0.28 -0.57 -0.56 0.00 0.09 0.00 0.00 57.88 56.55 1fj2 h LEU 187 Cb 1.95 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 42.29 1fj2 h LEU 187 CO 0.07 1.36 -0.54 0.54 0.09 0.00 0.00 178.44 179.97 1fj2 s VAL 188 N -3.98 0.84 -0.06 1.22 0.11 -0.43 -1.09 120.40 117.01 1fj2 s VAL 188 Ca -0.11 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.65 1fj2 s VAL 188 Cb 0.09 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.47 1fj2 s VAL 188 CO 0.90 0.00 1.66 0.21 -3.33 0.00 0.00 175.10 174.54 1fj2 s ASN 189 N -3.63 6.65 0.05 3.54 3.84 -0.76 -4.68 114.94 119.96 1fj2 s ASN 189 Ca 0.24 2.22 0.22 0.00 0.21 0.00 0.00 52.86 55.75 1fj2 s ASN 189 Cb 0.04 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.11 1fj2 s ASN 189 CO 0.13 -0.94 1.70 -0.81 -2.79 0.00 0.00 177.10 174.38 1fj2 n PRO 190 N 7.16 0.05 0.31 0.43 -0.04 -1.26 -2.39 135.00 139.26 1fj2 n PRO 190 Ca 0.17 0.17 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 1fj2 n PRO 190 Cb 0.43 -1.57 1.02 0.00 -0.04 0.00 0.00 33.50 33.34 1fj2 n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fj2 h ALA 191 N 2.66 1.31 -0.15 0.55 0.00 -1.94 -2.72 119.26 118.97 1fj2 h ALA 191 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fj2 h ALA 191 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fj2 h ALA 191 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1fj2 n ASN 192 N -3.55 3.17 -4.36 0.00 3.02 -1.01 -4.93 115.26 107.61 1fj2 n ASN 192 Ca -0.03 -2.97 -0.34 0.00 -0.03 0.00 0.00 54.58 51.21 1fj2 n ASN 192 Cb 0.09 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1fj2 n ASN 192 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fj2 s VAL 193 N -2.70 3.37 -0.04 2.41 1.01 -1.03 -0.65 120.40 122.77 1fj2 s VAL 193 Ca 0.36 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1fj2 s VAL 193 Cb 0.30 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1fj2 s VAL 193 CO 0.07 0.47 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 1fj2 s THR 194 N 0.95 1.50 -0.15 3.92 2.01 0.22 -4.98 115.64 119.10 1fj2 s THR 194 Ca -0.01 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 1fj2 s THR 194 Cb -0.15 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1fj2 s THR 194 CO 0.00 0.43 -0.13 0.12 -0.69 0.00 0.00 174.62 174.35 1fj2 s PHE 195 N -0.08 2.82 -0.02 4.92 5.36 -1.26 -0.90 117.98 128.81 1fj2 s PHE 195 Ca -0.01 -0.83 0.06 0.00 -0.96 0.00 0.00 56.93 55.19 1fj2 s PHE 195 Cb -0.11 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1fj2 s PHE 195 CO 0.02 -0.35 -0.21 0.15 -1.46 0.00 0.00 175.22 173.36 1fj2 s LYS 196 N 0.66 1.84 0.17 10.12 1.02 -0.29 -4.98 119.74 128.28 1fj2 s LYS 196 Ca -0.07 -0.77 0.08 0.00 0.02 0.00 0.00 55.97 55.23 1fj2 s LYS 196 Cb -0.15 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1fj2 s LYS 196 CO 0.02 0.43 -0.17 0.95 -0.92 0.00 0.00 175.35 175.67 1fj2 s THR 197 N -0.41 1.75 -0.12 2.17 -4.23 -1.26 -1.42 115.64 112.11 1fj2 s THR 197 Ca 0.06 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1fj2 s THR 197 Cb -0.09 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1fj2 s THR 197 CO -0.00 -0.40 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.25 1fj2 s TYR 198 N -2.31 1.80 0.06 3.99 1.51 -0.59 -4.94 117.35 116.86 1fj2 s TYR 198 Ca 0.17 -0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 55.00 1fj2 s TYR 198 Cb -0.04 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 1fj2 s TYR 198 CO 0.06 -0.55 1.05 -1.21 -1.11 0.00 0.00 175.55 173.80 1fj2 s GLU 199 N 1.43 4.55 0.00 -0.62 2.02 -1.26 -1.91 118.70 122.92 1fj2 s GLU 199 Ca 0.02 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1fj2 s GLU 199 Cb -0.13 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1fj2 s GLU 199 CO -0.07 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1fj2 n GLY 200 N 2.77 2.25 3.71 -1.39 0.00 -1.26 -4.95 105.19 106.33 1fj2 n GLY 200 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1fj2 n GLY 200 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1fj2 s MET 201 N -0.20 4.56 0.00 1.61 0.00 -1.09 -4.82 119.30 119.36 1fj2 s MET 201 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 55.69 57.08 1fj2 s MET 201 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 34.83 31.38 1fj2 s MET 201 CO 0.00 -0.03 0.00 -1.33 0.00 0.00 0.00 175.02 173.66 1fj2 n MET 202 N 3.83 3.31 -2.71 4.11 2.81 -1.26 -1.30 117.12 125.92 1fj2 n MET 202 Ca 0.05 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.51 1fj2 n MET 202 Cb 0.51 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.01 1fj2 n MET 202 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1fj2 s HIS 203 N 3.76 2.99 0.04 2.03 2.46 -1.26 -4.47 115.29 120.83 1fj2 s HIS 203 Ca 0.00 -1.70 -0.04 0.00 0.47 0.00 0.00 55.06 53.80 1fj2 s HIS 203 Cb 0.00 -4.60 0.01 0.00 -0.13 0.00 0.00 32.58 27.87 1fj2 s HIS 203 CO 0.00 -1.68 0.18 -1.13 -2.47 0.00 0.00 174.74 169.64 1fj2 n SER 204 N 7.52 -0.32 -4.58 9.88 3.41 -1.26 -5.09 113.62 123.18 1fj2 n SER 204 Ca 0.43 -1.17 -0.19 0.00 -0.26 0.00 0.00 58.87 57.68 1fj2 n SER 204 Cb 0.46 0.52 0.04 0.00 -0.26 0.00 0.00 64.21 64.97 1fj2 n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fj2 n SER 205 N -0.74 2.05 -3.74 4.04 3.41 -1.26 -4.86 113.62 112.52 1fj2 n SER 205 Ca -0.00 -2.44 -0.10 0.00 -0.26 0.00 0.00 58.87 56.06 1fj2 n SER 205 Cb 0.10 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1fj2 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fj2 h GLN 207 N 2.25 0.51 -0.72 0.00 4.15 -2.01 -0.21 115.11 119.09 1fj2 h GLN 207 Ca -0.30 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.04 1fj2 h GLN 207 Cb 1.26 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1fj2 h GLN 207 CO 0.40 0.34 0.23 0.37 -1.93 0.00 0.00 178.83 178.24 1fj2 h GLN 208 N 0.53 1.11 -0.53 1.69 5.75 -1.99 -0.40 115.11 121.26 1fj2 h GLN 208 Ca 0.26 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1fj2 h GLN 208 Cb 0.19 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 1fj2 h GLN 208 CO -0.19 0.95 0.25 1.49 -2.65 0.00 0.00 178.83 178.68 1fj2 h GLU 209 N 1.05 0.47 -0.50 1.69 4.81 -1.89 -0.74 114.58 119.48 1fj2 h GLU 209 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1fj2 h GLU 209 Cb 0.29 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1fj2 h GLU 209 CO -0.01 0.31 0.25 0.52 -0.73 0.00 0.00 179.01 179.35 1fj2 h MET 210 N 0.49 0.70 -0.52 1.92 2.86 -0.41 -0.25 114.93 119.71 1fj2 h MET 210 Ca 0.24 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1fj2 h MET 210 Cb 0.17 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1fj2 h MET 210 CO -0.18 0.54 -0.12 1.98 1.06 0.00 0.00 176.91 180.18 1fj2 h MET 211 N 0.70 1.00 -0.72 1.72 1.85 -0.65 -0.40 114.93 118.43 1fj2 h MET 211 Ca 0.18 -0.37 -0.06 0.00 -0.61 0.00 0.00 59.70 58.84 1fj2 h MET 211 Cb 0.06 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 1fj2 h MET 211 CO -0.03 1.05 0.23 -0.44 -0.40 0.00 0.00 176.91 177.33 1fj2 h ASP 212 N 0.88 1.04 -0.42 1.39 3.32 -0.52 -1.08 116.42 121.03 1fj2 h ASP 212 Ca 0.14 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1fj2 h ASP 212 Cb 0.68 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1fj2 h ASP 212 CO 0.05 0.97 0.26 0.58 -1.72 0.00 0.00 179.24 179.38 1fj2 h VAL 213 N 1.06 1.06 -0.40 -1.35 2.07 -0.96 -0.52 116.25 117.21 1fj2 h VAL 213 Ca 0.23 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1fj2 h VAL 213 Cb 0.29 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1fj2 h VAL 213 CO -0.01 0.10 0.21 0.50 0.02 0.00 0.00 177.57 178.38 1fj2 h LYS 214 N 0.52 0.41 -0.62 1.57 3.64 -0.71 -0.61 116.57 120.77 1fj2 h LYS 214 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1fj2 h LYS 214 Cb -0.01 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1fj2 h LYS 214 CO -0.06 0.27 0.10 1.96 -2.27 0.00 0.00 179.45 179.45 1fj2 h GLN 215 N 0.42 1.01 0.01 1.90 1.08 -0.87 0.56 115.11 119.22 1fj2 h GLN 215 Ca 0.17 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1fj2 h GLN 215 Cb 0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1fj2 h GLN 215 CO -0.11 0.93 -0.00 0.35 -0.95 0.00 0.00 178.83 179.05 1fj2 h PHE 216 N 0.95 -0.01 -0.31 2.96 3.57 -0.69 -1.93 116.94 121.48 1fj2 h PHE 216 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1fj2 h PHE 216 Cb 0.41 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1fj2 h PHE 216 CO 0.03 0.16 0.21 0.82 -2.23 0.00 0.00 178.31 177.29 1fj2 h ILE 217 N -0.18 1.07 -0.47 1.41 2.04 -1.02 -2.45 117.51 117.92 1fj2 h ILE 217 Ca -0.00 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1fj2 h ILE 217 Cb 0.17 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1fj2 h ILE 217 CO 0.00 0.08 -0.19 0.44 0.00 0.00 0.00 178.15 178.47 1fj2 h ASP 218 N 0.42 0.95 -0.43 1.72 3.32 -0.85 -0.89 116.42 120.66 1fj2 h ASP 218 Ca 0.12 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1fj2 h ASP 218 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1fj2 h ASP 218 CO -0.03 1.12 -0.07 0.50 -1.72 0.00 0.00 179.24 179.04 1fj2 h LYS 219 N 0.82 0.87 0.00 3.56 3.64 -1.25 -3.05 116.57 121.16 1fj2 h LYS 219 Ca 0.11 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1fj2 h LYS 219 Cb 0.75 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1fj2 h LYS 219 CO 0.06 0.91 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.97 1fj2 h LEU 220 N 0.79 0.00 -5.80 5.20 3.38 -1.06 -3.36 115.31 114.46 1fj2 h LEU 220 Ca 0.14 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.53 1fj2 h LEU 220 Cb 0.58 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.92 1fj2 h LEU 220 CO 0.04 0.01 -0.84 0.18 0.09 0.00 0.00 178.44 177.91 1fj2 n LEU 221 N -2.69 2.71 -4.81 1.67 4.77 -0.37 -5.03 117.00 113.25 1fj2 n LEU 221 Ca 0.04 -5.30 -0.30 0.00 -0.03 0.00 0.00 56.01 50.42 1fj2 n LEU 221 Cb 0.49 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1fj2 n LEU 221 CO 0.33 2.22 0.71 -2.16 -1.33 0.00 0.00 177.39 177.16 1fj2 s PRO 222 N -2.60 2.42 0.68 3.23 0.04 -1.16 -4.79 135.00 132.82 1fj2 s PRO 222 Ca 0.42 0.79 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1fj2 s PRO 222 Cb 0.25 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1fj2 s PRO 222 CO -0.09 -1.42 0.75 -2.30 0.04 0.00 0.00 177.00 173.98 1fj2 n PRO 223 N -3.32 0.50 -0.51 0.56 -0.02 -1.26 -5.05 135.00 125.89 1fj2 n PRO 223 Ca 0.07 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1fj2 n PRO 223 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1fj2 n PRO 223 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59