#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfm s ILE 5 N 0.00 4.99 -0.21 12.58 1.01 -1.26 -5.05 121.20 133.26 3bfm s ILE 5 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 3bfm s ILE 5 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3bfm s ILE 5 CO 0.00 0.02 0.05 -0.89 0.00 0.00 0.00 174.94 174.12 3bfm s THR 6 N 1.67 4.44 0.27 2.92 2.01 -1.26 -4.94 115.64 120.76 3bfm s THR 6 Ca 0.05 -0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.00 3bfm s THR 6 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3bfm s THR 6 CO 0.09 0.41 0.05 -0.36 -0.69 0.00 0.00 174.62 174.12 3bfm s PHE 7 N 0.89 2.80 0.87 4.92 0.08 -1.26 -4.78 117.98 121.49 3bfm s PHE 7 Ca 0.03 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 3bfm s PHE 7 Cb -0.14 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 3bfm s PHE 7 CO 0.02 0.58 0.62 -2.30 -0.10 0.00 0.00 175.22 174.05 3bfm n PRO 8 N -0.98 -0.07 -1.66 0.24 -0.02 -1.26 -4.89 135.00 126.35 3bfm n PRO 8 Ca -0.07 0.03 -0.44 0.00 -2.02 0.00 0.00 63.50 61.00 3bfm n PRO 8 Cb 0.59 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 3bfm n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3bfm n PRO 9 N -1.89 1.91 -1.86 0.52 -0.02 -1.26 -4.75 135.00 127.65 3bfm n PRO 9 Ca 0.09 0.67 -0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3bfm n PRO 9 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3bfm n PRO 9 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3bfm n LEU 10 N 1.57 -3.11 -3.25 2.45 4.32 -1.26 -5.19 117.00 112.53 3bfm n LEU 10 Ca 0.09 -0.01 0.03 0.00 -0.02 0.00 0.00 56.01 56.11 3bfm n LEU 10 Cb 0.32 -1.53 -0.04 0.00 -1.62 0.00 0.00 43.42 40.56 3bfm n LEU 10 CO 0.62 -0.27 0.76 -0.89 -1.22 0.00 0.00 177.39 176.39 3bfm s THR 12 N -2.94 -0.25 0.08 -5.08 2.01 -0.48 -4.63 115.64 104.36 3bfm s THR 12 Ca 0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 3bfm s THR 12 Cb -0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 3bfm s THR 12 CO 0.17 0.00 0.67 -0.83 -0.69 0.00 0.00 174.62 173.94 3bfm s GLY 13 N 2.37 2.76 -0.09 4.40 0.00 -1.26 -0.44 107.32 115.06 3bfm s GLY 13 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.86 3bfm s GLY 13 CO -0.15 0.75 0.03 1.85 0.00 0.00 0.00 173.10 175.58 3bfm s GLU 14 N -0.78 0.34 0.20 2.90 2.12 -0.07 -4.94 118.70 118.48 3bfm s GLU 14 Ca 0.33 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 3bfm s GLU 14 Cb -0.21 -1.07 -0.08 0.00 0.26 0.00 0.00 34.13 33.03 3bfm s GLU 14 CO 0.22 -0.40 1.09 0.00 -0.54 0.00 0.00 175.26 175.63 3bfm s ALA 15 N 2.04 3.38 0.22 6.30 0.00 -1.26 -1.16 121.76 131.27 3bfm s ALA 15 Ca 0.04 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 3bfm s ALA 15 Cb -0.13 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3bfm s ALA 15 CO -0.05 -0.18 1.35 0.00 0.00 0.00 0.00 175.76 176.87 3bfm s ALA 16 N -0.46 3.56 0.54 0.00 0.00 0.54 -4.89 121.76 121.05 3bfm s ALA 16 Ca 0.48 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.65 3bfm s ALA 16 Cb -0.30 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.40 3bfm s ALA 16 CO 0.36 -0.60 0.64 0.41 0.00 0.00 0.00 175.76 176.57 3bfm n GLY 17 N 2.29 1.21 3.62 0.00 0.00 -1.26 -4.95 105.19 106.10 3bfm n GLY 17 Ca 0.06 -2.09 -0.49 0.00 0.00 0.00 0.00 46.02 43.51 3bfm n GLY 17 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bfm n PRO 18 N -2.12 1.56 -0.33 1.61 -0.02 -1.26 -1.48 135.00 132.96 3bfm n PRO 18 Ca 0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3bfm n PRO 18 Cb 0.41 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3bfm n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bfm n GLY 19 N 2.69 2.04 3.62 -1.23 0.00 -1.26 -5.01 105.19 106.04 3bfm n GLY 19 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3bfm n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bfm s GLN 20 N -0.10 2.84 0.10 1.61 -0.21 -0.55 -5.08 119.66 118.27 3bfm s GLN 20 Ca 0.00 -0.49 0.09 0.00 0.02 0.00 0.00 55.36 54.98 3bfm s GLN 20 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 3bfm s GLN 20 CO 0.00 0.68 -0.23 -0.51 -2.12 0.00 0.00 175.29 173.11 3bfm s ASP 21 N -0.85 2.83 0.15 5.90 1.01 -1.26 -4.54 116.67 119.91 3bfm s ASP 21 Ca 0.13 -0.69 -0.18 0.00 0.71 0.00 0.00 52.55 52.52 3bfm s ASP 21 Cb -0.11 -0.18 0.05 0.00 1.01 0.00 0.00 42.92 43.69 3bfm s ASP 21 CO 0.02 0.12 1.68 -0.65 0.21 0.00 0.00 175.17 176.54 3bfm h PRO 22 N 4.10 -0.01 0.04 8.23 0.11 -1.88 0.77 132.00 143.36 3bfm h PRO 22 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bfm h PRO 22 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bfm h PRO 22 CO 0.40 -0.01 -0.02 0.35 -0.21 0.00 0.00 178.00 178.51 3bfm h PHE 23 N -0.01 -0.05 -0.23 0.65 3.57 -1.89 0.20 116.94 119.18 3bfm h PHE 23 Ca 0.16 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3bfm h PHE 23 Cb 0.25 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3bfm h PHE 23 CO -0.31 0.26 -0.00 0.22 -2.23 0.00 0.00 178.31 176.24 3bfm h ASP 24 N -0.36 -0.09 -0.40 0.41 3.58 -1.98 -2.00 116.42 115.57 3bfm h ASP 24 Ca -0.01 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3bfm h ASP 24 Cb 0.33 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3bfm h ASP 24 CO 0.01 -0.02 0.15 0.25 -2.88 0.00 0.00 179.24 176.76 3bfm h LEU 25 N 0.07 0.56 -0.78 2.28 5.85 -0.67 -0.06 115.31 122.57 3bfm h LEU 25 Ca 0.11 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3bfm h LEU 25 Cb 0.14 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3bfm h LEU 25 CO -0.19 0.58 0.49 0.00 -0.34 0.00 0.00 178.44 178.98 3bfm h ALA 26 N 1.00 1.04 -0.73 1.25 0.00 -0.47 0.19 119.26 121.55 3bfm h ALA 26 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3bfm h ALA 26 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3bfm h ALA 26 CO -0.01 0.26 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3bfm h GLN 28 N 1.08 0.56 -0.55 0.00 4.20 -0.49 -1.44 115.11 118.46 3bfm h GLN 28 Ca 0.23 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3bfm h GLN 28 Cb 0.31 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3bfm h GLN 28 CO -0.01 0.76 0.19 0.87 -0.67 0.00 0.00 178.83 179.97 3bfm h LYS 29 N 0.33 0.82 -0.39 1.46 1.57 -0.53 -1.99 116.57 117.84 3bfm h LYS 29 Ca 0.07 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3bfm h LYS 29 Cb 0.55 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3bfm h LYS 29 CO 0.03 0.70 0.12 0.00 -0.57 0.00 0.00 179.45 179.73 3bfm h ALA 30 N 1.41 0.51 -0.08 3.86 0.00 -0.70 -1.08 119.26 123.18 3bfm h ALA 30 Ca 0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3bfm h ALA 30 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3bfm h ALA 30 CO -0.01 0.15 -0.21 1.49 0.00 0.00 0.00 179.25 180.67 3bfm h GLU 31 N 0.48 0.13 0.00 0.00 4.57 -0.96 -0.27 114.58 118.53 3bfm h GLU 31 Ca 0.13 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3bfm h GLU 31 Cb 0.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3bfm h GLU 31 CO -0.00 0.34 0.00 1.28 -1.18 0.00 0.00 179.01 179.45 3bfm n LEU 32 N -4.23 0.00 0.00 1.64 4.77 -0.77 -4.91 117.00 113.50 3bfm n LEU 32 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3bfm n LEU 32 Cb 0.30 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3bfm n LEU 32 CO 0.38 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3bfm n GLY 33 N 0.13 0.98 3.75 -0.72 0.00 -0.11 -5.07 105.19 104.16 3bfm n GLY 33 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3bfm n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bfm s VAL 34 N -2.00 2.81 0.82 1.61 -7.23 -0.47 -4.98 120.40 110.95 3bfm s VAL 34 Ca 0.00 0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 60.80 3bfm s VAL 34 Cb 0.00 -3.46 0.13 0.00 0.56 0.00 0.00 36.38 33.60 3bfm s VAL 34 CO 0.00 0.14 1.16 -1.81 -0.31 0.00 0.00 175.10 174.28 3bfm s ASP 35 N -0.03 4.04 0.65 4.85 1.01 -1.26 -4.54 116.67 121.39 3bfm s ASP 35 Ca 0.54 0.31 -0.17 0.00 0.71 0.00 0.00 52.55 53.93 3bfm s ASP 35 Cb -0.40 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 42.86 3bfm s ASP 35 CO 0.46 -2.13 1.05 0.00 0.21 0.00 0.00 175.17 174.77 3bfm n ALA 36 N -3.30 0.31 0.00 5.23 0.00 -1.26 -3.80 120.51 117.69 3bfm n ALA 36 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3bfm n ALA 36 Cb 0.60 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3bfm n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bfm n GLY 37 N 1.13 1.95 3.73 0.00 0.00 -0.30 -4.99 105.19 106.71 3bfm n GLY 37 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bfm n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bfm s LEU 38 N 0.00 4.38 -0.29 0.99 2.96 -1.25 -1.38 118.68 124.09 3bfm s LEU 38 Ca 0.00 2.61 0.03 0.00 -0.22 0.00 0.00 54.13 56.55 3bfm s LEU 38 Cb 0.00 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.16 3bfm s LEU 38 CO 0.00 -0.74 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.57 3bfm s VAL 39 N 0.56 2.06 -0.05 1.68 1.01 0.42 -1.32 120.40 124.74 3bfm s VAL 39 Ca 0.64 -1.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.59 3bfm s VAL 39 Cb -0.42 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3bfm s VAL 39 CO 0.37 -0.30 0.49 -0.69 0.00 0.00 0.00 175.10 174.97 3bfm s VAL 40 N 1.09 5.06 0.07 2.92 1.01 -0.13 -0.89 120.40 129.53 3bfm s VAL 40 Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 3bfm s VAL 40 Cb -0.19 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3bfm s VAL 40 CO -0.07 0.42 0.01 -0.72 0.00 0.00 0.00 175.10 174.73 3bfm s TYR 41 N -0.06 0.58 -0.22 5.22 -0.85 -0.31 -0.16 117.35 121.55 3bfm s TYR 41 Ca 0.27 -1.08 -0.05 0.00 -0.52 0.00 0.00 57.07 55.69 3bfm s TYR 41 Cb -0.16 -0.39 0.11 0.00 0.38 0.00 0.00 41.96 41.90 3bfm s TYR 41 CO 0.13 -0.43 0.40 -2.00 -1.52 0.00 0.00 175.55 172.13 3bfm s GLU 42 N -3.95 0.33 -0.15 -3.49 2.12 -0.19 -0.34 118.70 113.03 3bfm s GLU 42 Ca 0.11 0.79 -0.03 0.00 0.36 0.00 0.00 54.97 56.20 3bfm s GLU 42 Cb 0.08 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3bfm s GLU 42 CO -0.07 -0.44 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.64 3bfm s LEU 43 N 2.58 3.15 0.51 2.70 1.43 -1.26 -1.27 118.68 126.52 3bfm s LEU 43 Ca 0.06 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3bfm s LEU 43 Cb -0.14 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3bfm s LEU 43 CO -0.14 0.16 0.01 -0.83 0.23 0.00 0.00 176.35 175.78 3bfm s GLY 44 N 0.39 3.05 0.37 -3.19 0.00 -0.48 -5.03 107.32 102.42 3bfm s GLY 44 Ca -0.05 -0.28 0.16 0.00 0.00 0.00 0.00 44.72 44.55 3bfm s GLY 44 CO 0.03 -2.19 1.78 -0.91 0.00 0.00 0.00 173.10 171.81 3bfm h THR 45 N 1.34 1.09 -0.00 0.90 1.35 -2.03 -3.31 112.91 112.25 3bfm h THR 45 Ca -0.44 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 3bfm h THR 45 Cb 1.32 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3bfm h THR 45 CO 0.73 0.39 -0.65 0.47 -0.25 0.00 0.00 175.52 176.21 3bfm n ASP 46 N -3.79 0.76 -3.69 5.36 9.92 -1.26 -4.52 116.55 119.34 3bfm n ASP 46 Ca -0.01 -0.88 -0.15 0.00 -0.53 0.00 0.00 54.79 53.22 3bfm n ASP 46 Cb 0.47 0.95 -0.08 0.00 -0.64 0.00 0.00 41.12 41.82 3bfm n ASP 46 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3bfm s VAL 47 N -2.31 0.03 -0.14 2.53 0.11 -1.25 0.20 120.40 119.57 3bfm s VAL 47 Ca 0.06 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3bfm s VAL 47 Cb 0.11 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 3bfm s VAL 47 CO 0.57 -0.13 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.81 3bfm s LEU 48 N -0.91 2.33 0.03 2.54 0.20 0.43 -1.38 118.68 121.92 3bfm s LEU 48 Ca -0.10 -0.51 0.06 0.00 0.69 0.00 0.00 54.13 54.27 3bfm s LEU 48 Cb -0.03 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 3bfm s LEU 48 CO 0.05 0.11 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.91 3bfm s ARG 49 N 0.68 1.24 0.13 1.98 0.52 -0.40 -0.97 118.95 122.13 3bfm s ARG 49 Ca -0.09 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.11 3bfm s ARG 49 Cb -0.16 -1.29 0.06 0.00 0.52 0.00 0.00 34.95 34.08 3bfm s ARG 49 CO 0.02 0.33 0.52 0.00 0.02 0.00 0.00 175.30 176.19 3bfm s ALA 50 N -0.72 -1.33 -0.14 2.13 0.00 -0.60 -1.03 121.76 120.07 3bfm s ALA 50 Ca 0.05 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3bfm s ALA 50 Cb -0.08 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.80 3bfm s ALA 50 CO 0.01 -0.68 0.39 0.00 0.00 0.00 0.00 175.76 175.48 3bfm s ALA 51 N -3.51 -0.96 -0.11 0.00 0.00 0.78 0.03 121.76 117.98 3bfm s ALA 51 Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3bfm s ALA 51 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3bfm s ALA 51 CO -0.10 -0.19 -0.13 -1.17 0.00 0.00 0.00 175.76 174.17 3bfm s LEU 52 N 0.17 2.74 -0.19 0.00 2.96 0.02 -0.96 118.68 123.43 3bfm s LEU 52 Ca -0.00 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 3bfm s LEU 52 Cb -0.03 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3bfm s LEU 52 CO 0.01 0.22 0.39 -0.69 -1.32 0.00 0.00 176.35 174.96 3bfm s VAL 53 N 0.05 5.21 0.20 1.68 1.01 -0.44 -1.42 120.40 126.70 3bfm s VAL 53 Ca -0.05 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.73 3bfm s VAL 53 Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3bfm s VAL 53 CO 0.04 0.28 -0.15 -0.76 0.00 0.00 0.00 175.10 174.51 3bfm s LEU 54 N 1.12 2.55 -0.42 3.92 1.43 0.68 -1.16 118.68 126.80 3bfm s LEU 54 Ca 0.20 -1.01 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 3bfm s LEU 54 Cb -0.15 -0.68 0.26 0.00 0.03 0.00 0.00 46.19 45.65 3bfm s LEU 54 CO 0.08 -0.16 0.66 0.00 0.23 0.00 0.00 176.35 177.15 3bfm n ALA 55 N -0.35 1.17 -2.02 4.21 0.00 -1.26 -0.90 120.51 121.37 3bfm n ALA 55 Ca -0.08 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.19 3bfm n ALA 55 Cb 0.60 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 3bfm n ALA 55 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bfm s PRO 56 N -0.67 4.50 -1.22 0.00 0.04 -1.26 -4.92 135.00 131.46 3bfm s PRO 56 Ca 0.34 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 3bfm s PRO 56 Cb 0.20 -3.23 0.21 0.00 0.04 0.00 0.00 34.50 31.72 3bfm s PRO 56 CO -0.15 -0.07 1.76 0.39 0.04 0.00 0.00 177.00 178.97 3bfm n GLU 57 N 2.37 3.88 -4.00 4.56 1.02 -1.26 -4.68 120.64 122.52 3bfm n GLU 57 Ca 0.04 -3.83 -0.10 0.00 -0.02 0.00 0.00 57.16 53.25 3bfm n GLU 57 Cb 0.45 -2.80 -0.07 0.00 -0.02 0.00 0.00 31.44 28.99 3bfm n GLU 57 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3bfm s VAL 58 N -0.55 0.07 0.76 2.62 -7.23 -1.26 -5.12 120.40 109.69 3bfm s VAL 58 Ca 0.37 -1.49 -0.13 0.00 -1.81 0.00 0.00 61.98 58.92 3bfm s VAL 58 Cb 0.08 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 35.17 3bfm s VAL 58 CO 0.03 -0.31 1.17 -2.84 -0.31 0.00 0.00 175.10 172.84 3bfm s PRO 59 N -3.99 2.01 0.26 4.82 0.02 -1.26 -4.05 135.00 132.81 3bfm s PRO 59 Ca 0.19 1.59 -0.02 0.00 0.02 0.00 0.00 61.00 62.78 3bfm s PRO 59 Cb 0.04 -1.84 0.52 0.00 0.02 0.00 0.00 34.50 33.25 3bfm s PRO 59 CO 0.01 -1.90 1.73 1.25 -0.33 0.00 0.00 177.00 177.77 3bfm h LEU 60 N -0.69 0.36 -0.86 -5.54 5.85 -0.84 -0.65 115.31 112.94 3bfm h LEU 60 Ca -0.46 0.11 0.22 0.00 0.84 0.00 0.00 57.88 58.59 3bfm h LEU 60 Cb 1.27 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 3bfm h LEU 60 CO 0.49 0.12 0.09 0.00 -0.34 0.00 0.00 178.44 178.80 3bfm h ALA 61 N 1.58 1.05 0.00 1.25 0.00 -1.55 -1.88 119.26 119.70 3bfm h ALA 61 Ca 0.45 0.26 -0.10 0.00 0.00 0.00 0.00 54.91 55.52 3bfm h ALA 61 Cb 0.70 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3bfm h ALA 61 CO -0.41 -0.47 -0.79 0.87 0.00 0.00 0.00 179.25 178.44 3bfm h LYS 62 N 0.12 0.00 -2.96 0.00 1.57 -1.45 -3.42 116.57 110.43 3bfm h LYS 62 Ca 0.51 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.89 3bfm h LYS 62 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3bfm h LYS 62 CO -0.73 0.33 2.17 0.00 -0.57 0.00 0.00 179.45 180.65 3bfm n ALA 63 N -2.26 5.65 -3.65 3.86 0.00 -0.63 -5.01 120.51 118.47 3bfm n ALA 63 Ca -0.02 -2.26 -0.27 0.00 0.00 0.00 0.00 53.44 50.89 3bfm n ALA 63 Cb 0.73 -2.91 0.04 0.00 0.00 0.00 0.00 19.45 17.31 3bfm n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bfm n ALA 65 N 3.55 -2.41 0.00 0.00 0.00 -1.26 -5.06 120.51 115.33 3bfm n ALA 65 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3bfm n ALA 65 Cb 0.32 -3.78 0.00 0.00 0.00 0.00 0.00 19.45 16.00 3bfm n ALA 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3bfm n LEU 67 N -4.09 0.00 -0.36 0.00 7.94 -1.26 -1.29 117.00 117.94 3bfm n LEU 67 Ca -0.14 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.80 3bfm n LEU 67 Cb 0.62 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.77 3bfm n LEU 67 CO 0.67 0.00 1.24 1.55 -1.11 0.00 0.00 177.39 179.74 3bfm h PRO 68 N 0.00 1.02 -0.38 1.96 0.13 -1.96 -0.56 132.00 132.22 3bfm h PRO 68 Ca 0.00 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.14 3bfm h PRO 68 Cb 0.00 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 30.84 3bfm h PRO 68 CO 0.00 0.68 -0.01 0.28 -0.23 0.00 0.00 178.00 178.72 3bfm h VAL 69 N 1.05 0.71 0.00 1.56 2.07 -1.59 0.32 116.25 120.37 3bfm h VAL 69 Ca 0.46 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.92 3bfm h VAL 69 Cb 0.34 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3bfm h VAL 69 CO -0.22 0.02 -0.15 0.00 0.02 0.00 0.00 177.57 177.23 3bfm h GLY 71 N 2.68 0.55 0.99 0.00 0.00 -0.46 -1.03 103.07 105.80 3bfm h GLY 71 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3bfm h GLY 71 CO 0.02 0.41 0.33 -2.08 0.00 0.00 0.00 176.54 175.23 3bfm h VAL 72 N 0.26 1.18 -0.57 4.60 2.07 -0.72 -0.76 116.25 122.30 3bfm h VAL 72 Ca 0.07 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3bfm h VAL 72 Cb 0.53 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 3bfm h VAL 72 CO 0.03 0.19 0.07 1.23 0.02 0.00 0.00 177.57 179.11 3bfm h GLY 73 N 0.78 0.68 0.84 2.17 0.00 -1.10 -0.44 103.07 105.99 3bfm h GLY 73 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3bfm h GLY 73 CO -0.04 -0.14 0.04 -2.75 0.00 0.00 0.00 176.54 173.66 3bfm h PHE 74 N 0.19 0.22 -0.76 5.60 3.57 -0.73 -0.37 116.94 124.67 3bfm h PHE 74 Ca 0.30 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.85 3bfm h PHE 74 Cb 0.45 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3bfm h PHE 74 CO -0.28 0.34 0.43 0.37 -2.23 0.00 0.00 178.31 176.94 3bfm h GLN 75 N 0.03 0.74 -0.54 1.11 -0.00 -0.90 0.85 115.11 116.41 3bfm h GLN 75 Ca 0.04 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 3bfm h GLN 75 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3bfm h GLN 75 CO -0.00 0.49 -0.06 -0.91 0.00 0.00 0.00 178.83 178.35 3bfm h ASN 76 N 0.76 0.98 0.08 -0.69 -0.26 -0.96 -1.17 115.58 114.32 3bfm h ASN 76 Ca 0.35 -0.33 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3bfm h ASN 76 Cb 0.26 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3bfm h ASN 76 CO -0.21 1.08 -0.04 0.00 -1.06 0.00 0.00 177.43 177.20 3bfm h ALA 77 N 0.93 -0.11 -0.45 -0.83 0.00 -0.70 -1.79 119.26 116.31 3bfm h ALA 77 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3bfm h ALA 77 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3bfm h ALA 77 CO 0.04 -0.47 0.16 1.25 0.00 0.00 0.00 179.25 180.23 3bfm h LEU 78 N -0.30 0.65 -1.63 0.00 5.85 -0.81 -2.91 115.31 116.16 3bfm h LEU 78 Ca -0.01 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.63 3bfm h LEU 78 Cb 0.25 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3bfm h LEU 78 CO 0.02 0.66 0.42 1.23 -0.34 0.00 0.00 178.44 180.43 3bfm h GLY 79 N 0.59 0.59 2.00 3.75 0.00 -1.16 0.18 103.07 109.02 3bfm h GLY 79 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3bfm h GLY 79 CO -0.01 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3bfm h ALA 80 N 1.69 1.00 0.00 3.60 0.00 -1.11 -3.34 119.26 121.09 3bfm h ALA 80 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3bfm h ALA 80 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3bfm h ALA 80 CO -0.08 0.00 -1.10 1.28 0.00 0.00 0.00 179.25 179.35 3bfm n LEU 81 N -2.95 0.00 -4.97 0.00 4.77 -0.20 -5.08 117.00 108.57 3bfm n LEU 81 Ca -0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3bfm n LEU 81 Cb 0.23 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3bfm n LEU 81 CO 0.24 0.01 0.03 0.00 -1.33 0.00 0.00 177.39 176.34 3bfm s ALA 82 N -2.11 4.14 0.53 -1.18 0.00 0.44 -4.63 121.76 118.96 3bfm s ALA 82 Ca -0.01 -1.43 -0.23 0.00 0.00 0.00 0.00 51.96 50.29 3bfm s ALA 82 Cb 0.01 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 3bfm s ALA 82 CO 0.08 0.03 1.38 -2.30 0.00 0.00 0.00 175.76 174.94 3bfm n PRO 83 N -1.57 1.82 0.30 0.00 -0.02 -1.26 -4.87 135.00 129.40 3bfm n PRO 83 Ca -0.02 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.32 3bfm n PRO 83 Cb 0.58 -2.59 0.92 0.00 -0.02 0.00 0.00 33.50 32.38 3bfm n PRO 83 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3bfm h PRO 84 N 1.62 0.00 0.00 0.52 0.13 -1.98 -1.73 132.00 130.56 3bfm h PRO 84 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3bfm h PRO 84 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3bfm h PRO 84 CO 0.58 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.40 3bfm h GLU 85 N 0.00 0.00 -6.25 0.86 9.09 -2.01 -3.43 114.58 112.83 3bfm h GLU 85 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 3bfm h GLU 85 Cb 0.29 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.36 3bfm h GLU 85 CO 0.00 0.00 1.03 0.08 0.05 0.00 0.00 179.01 180.17 3bfm s VAL 86 N -3.38 3.92 -0.18 -1.06 1.01 -0.65 -4.99 120.40 115.06 3bfm s VAL 86 Ca 0.05 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.97 3bfm s VAL 86 Cb 0.09 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3bfm s VAL 86 CO 0.52 -0.24 0.29 0.00 0.00 0.00 0.00 175.10 175.66 3bfm s ALA 87 N 4.35 3.59 -0.17 5.51 0.00 -1.26 -4.95 121.76 128.83 3bfm s ALA 87 Ca 0.64 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 3bfm s ALA 87 Cb -0.24 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3bfm s ALA 87 CO 0.24 -0.04 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 3bfm s VAL 88 N 0.74 4.03 0.16 0.00 1.01 -1.26 -0.73 120.40 124.35 3bfm s VAL 88 Ca 0.15 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.92 3bfm s VAL 88 Cb -0.13 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3bfm s VAL 88 CO 0.04 0.47 -0.21 -1.00 0.00 0.00 0.00 175.10 174.41 3bfm s HIS 89 N 0.50 1.99 -0.19 5.22 3.76 -0.28 -4.92 115.29 121.38 3bfm s HIS 89 Ca -0.02 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.44 3bfm s HIS 89 Cb -0.14 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 3bfm s HIS 89 CO 0.02 0.36 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.70 3bfm s LEU 90 N -2.51 2.85 0.42 0.89 1.43 0.13 -1.02 118.68 120.87 3bfm s LEU 90 Ca 0.16 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 3bfm s LEU 90 Cb -0.07 -1.70 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 3bfm s LEU 90 CO 0.07 0.04 0.96 -0.62 0.23 0.00 0.00 176.35 177.04 3bfm s ASP 91 N 1.09 6.93 0.33 2.29 -1.08 -0.09 -0.19 116.67 125.95 3bfm s ASP 91 Ca 0.01 1.74 0.06 0.00 -0.52 0.00 0.00 52.55 53.84 3bfm s ASP 91 Cb -0.15 -2.55 0.71 0.00 -1.46 0.00 0.00 42.92 39.48 3bfm s ASP 91 CO -0.01 -0.37 1.88 -0.25 0.52 0.00 0.00 175.17 176.94 3bfm h TRP 92 N 2.06 0.92 -0.00 -5.34 7.01 -1.87 -1.18 115.95 117.55 3bfm h TRP 92 Ca -0.49 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.54 3bfm h TRP 92 Cb 1.19 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 3bfm h TRP 92 CO 0.61 0.38 0.00 0.27 -2.79 0.00 0.00 178.44 176.91 3bfm n ASN 93 N -4.55 0.01 0.00 2.65 0.23 -1.26 -4.89 115.26 107.44 3bfm n ASN 93 Ca 0.16 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 3bfm n ASN 93 Cb 0.38 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 3bfm n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bfm n GLY 94 N 0.97 1.16 3.75 4.83 0.00 -0.44 -4.92 105.19 110.53 3bfm n GLY 94 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3bfm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfm s ALA 95 N -2.28 2.83 0.05 4.61 0.00 -1.26 0.15 121.76 125.87 3bfm s ALA 95 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.32 3bfm s ALA 95 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3bfm s ALA 95 CO 0.00 -1.36 0.04 -0.51 0.00 0.00 0.00 175.76 173.93 3bfm s LEU 96 N -3.50 3.65 -0.04 0.00 1.43 -0.22 -0.91 118.68 119.09 3bfm s LEU 96 Ca 0.71 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3bfm s LEU 96 Cb -0.40 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.57 3bfm s LEU 96 CO 0.48 0.22 -0.13 -0.13 0.23 0.00 0.00 176.35 177.01 3bfm s ARG 97 N -2.04 1.48 -0.12 1.70 0.52 -0.19 -1.59 118.95 118.70 3bfm s ARG 97 Ca 0.25 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 3bfm s ARG 97 Cb -0.12 -1.29 0.01 0.00 0.52 0.00 0.00 34.95 34.07 3bfm s ARG 97 CO 0.17 0.14 -0.19 0.42 0.02 0.00 0.00 175.30 175.86 3bfm s ILE 98 N 0.26 1.82 -1.68 1.52 1.01 0.25 -1.12 121.20 123.25 3bfm s ILE 98 Ca -0.06 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 3bfm s ILE 98 Cb -0.12 -1.63 0.14 0.00 0.01 0.00 0.00 42.46 40.87 3bfm s ILE 98 CO 0.02 0.50 0.68 0.59 0.00 0.00 0.00 174.94 176.73 3bfm n ASN 99 N 4.10 -2.53 0.00 3.58 3.02 0.09 -1.42 115.26 122.11 3bfm n ASN 99 Ca -0.20 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3bfm n ASN 99 Cb 0.51 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 3bfm n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bfm n GLY 100 N -1.50 1.93 3.69 7.41 0.00 -1.26 -5.02 105.19 110.44 3bfm n GLY 100 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3bfm n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfm s ALA 101 N -3.01 3.32 0.16 4.61 0.00 -0.51 -5.01 121.76 121.32 3bfm s ALA 101 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3bfm s ALA 101 Cb 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 23.12 21.49 3bfm s ALA 101 CO 0.00 0.58 1.78 0.50 0.00 0.00 0.00 175.76 178.62 3bfm s ARG 102 N -0.85 4.13 -0.49 0.00 6.06 -1.26 -0.59 118.95 125.96 3bfm s ARG 102 Ca 0.13 2.59 0.06 0.00 -2.50 0.00 0.00 55.73 56.02 3bfm s ARG 102 Cb -0.11 -3.39 0.21 0.00 0.06 0.00 0.00 34.95 31.71 3bfm s ARG 102 CO 0.02 -0.80 0.72 0.00 -2.50 0.00 0.00 175.30 172.74 3bfm n GLY 104 N 2.44 -2.66 3.52 0.00 0.00 -1.26 -4.54 105.19 102.70 3bfm n GLY 104 Ca 0.17 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3bfm n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bfm s ARG 105 N -0.51 0.83 -0.15 1.61 1.70 -0.35 -1.05 118.95 121.03 3bfm s ARG 105 Ca 0.00 -0.06 -0.08 0.00 -0.47 0.00 0.00 55.73 55.13 3bfm s ARG 105 Cb 0.00 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 3bfm s ARG 105 CO 0.00 -0.31 0.13 -0.51 -1.08 0.00 0.00 175.30 173.53 3bfm s LEU 106 N -1.79 4.29 0.22 -1.89 1.43 0.12 -0.96 118.68 120.11 3bfm s LEU 106 Ca -0.01 0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.57 3bfm s LEU 106 Cb -0.01 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3bfm s LEU 106 CO -0.02 0.33 -0.18 -0.13 0.23 0.00 0.00 176.35 176.58 3bfm s ARG 107 N -0.55 1.74 -0.00 1.70 0.52 0.10 -4.50 118.95 117.96 3bfm s ARG 107 Ca 0.12 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 3bfm s ARG 107 Cb -0.12 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.44 3bfm s ARG 107 CO 0.02 0.38 -0.01 -1.50 0.02 0.00 0.00 175.30 174.21 3bfm s ILE 108 N -1.97 0.11 0.06 1.52 2.07 -1.26 -0.11 121.20 121.61 3bfm s ILE 108 Ca 0.25 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 3bfm s ILE 108 Cb -0.07 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 3bfm s ILE 108 CO 0.13 0.03 -0.05 0.00 -1.91 0.00 0.00 174.94 173.15 3bfm s ALA 109 N 0.01 0.61 0.28 1.50 0.00 -0.47 -1.26 121.76 122.42 3bfm s ALA 109 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 3bfm s ALA 109 Cb -0.01 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3bfm s ALA 109 CO -0.00 -0.25 0.44 0.00 0.00 0.00 0.00 175.76 175.95 3bfm s ALA 110 N -3.14 0.26 -0.71 0.00 0.00 -1.26 -1.04 121.76 115.87 3bfm s ALA 110 Ca 0.03 -1.20 0.25 0.00 0.00 0.00 0.00 51.96 51.05 3bfm s ALA 110 Cb 0.02 1.13 0.89 0.00 0.00 0.00 0.00 23.12 25.16 3bfm s ALA 110 CO -0.06 -0.80 1.77 -1.13 0.00 0.00 0.00 175.76 175.54 3bfm n SER 111 N -0.74 0.67 -4.04 0.00 3.41 -0.84 -4.77 113.62 107.31 3bfm n SER 111 Ca -0.01 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 59.12 3bfm n SER 111 Cb 0.62 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 3bfm n SER 111 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3bfm s THR 112 N -3.14 0.20 -0.33 6.66 -1.32 -1.26 -4.91 115.64 111.54 3bfm s THR 112 Ca 0.09 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 3bfm s THR 112 Cb 0.12 -1.41 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 3bfm s THR 112 CO 0.53 -0.91 0.94 -0.90 -2.21 0.00 0.00 174.62 172.07 3bfm n ASP 113 N 0.18 1.99 -4.63 8.08 5.75 -1.26 -4.99 116.55 121.67 3bfm n ASP 113 Ca -0.15 -1.74 -0.43 0.00 -0.01 0.00 0.00 54.79 52.46 3bfm n ASP 113 Cb 0.61 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 3bfm n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bfm s ASP 114 N -0.79 6.83 0.57 -1.12 2.15 -1.26 -4.93 116.67 118.13 3bfm s ASP 114 Ca 0.06 0.88 0.28 0.00 0.43 0.00 0.00 52.55 54.20 3bfm s ASP 114 Cb 0.03 -2.51 1.51 0.00 -0.30 0.00 0.00 42.92 41.66 3bfm s ASP 114 CO 0.05 -0.86 1.99 -0.65 -0.17 0.00 0.00 175.17 175.53 3bfm h PRO 115 N 8.22 0.00 0.00 4.34 0.11 -1.94 -1.91 132.00 140.83 3bfm h PRO 115 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3bfm h PRO 115 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3bfm h PRO 115 CO 1.01 0.00 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.90 3bfm h ASP 116 N 0.00 0.00 -3.41 -2.05 3.32 -1.94 -1.43 116.42 110.91 3bfm h ASP 116 Ca 0.18 -0.05 -0.55 0.00 0.02 0.00 0.00 57.03 56.63 3bfm h ASP 116 Cb 0.90 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3bfm h ASP 116 CO -0.00 0.03 0.10 -0.89 -1.72 0.00 0.00 179.24 176.75 3bfm s THR 117 N -3.23 4.58 -0.09 0.35 2.01 -0.72 -4.67 115.64 113.88 3bfm s THR 117 Ca 0.05 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 3bfm s THR 117 Cb 0.10 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3bfm s THR 117 CO 0.71 0.49 1.17 -1.58 -0.69 0.00 0.00 174.62 174.72 3bfm s GLN 118 N -0.85 4.34 0.52 4.92 0.74 -1.26 -0.91 119.66 127.16 3bfm s GLN 118 Ca 0.34 1.61 -0.18 0.00 0.05 0.00 0.00 55.36 57.18 3bfm s GLN 118 Cb -0.21 -3.59 -0.07 0.00 1.10 0.00 0.00 33.01 30.24 3bfm s GLN 118 CO 0.23 -0.47 1.01 -1.25 -0.55 0.00 0.00 175.29 174.26 3bfm s PRO 119 N 2.39 3.78 0.40 1.67 0.04 -1.26 -4.92 135.00 137.10 3bfm s PRO 119 Ca 0.54 1.14 0.21 0.00 0.04 0.00 0.00 61.00 62.93 3bfm s PRO 119 Cb -0.23 -2.10 0.69 0.00 0.04 0.00 0.00 34.50 32.90 3bfm s PRO 119 CO 0.20 -0.42 1.73 -0.44 0.04 0.00 0.00 177.00 178.10 3bfm h ASP 120 N 1.08 0.00 -4.92 6.66 3.32 -1.94 -3.46 116.42 117.16 3bfm h ASP 120 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3bfm h ASP 120 Cb 1.20 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.62 3bfm h ASP 120 CO 0.60 0.31 0.26 -1.66 -1.72 0.00 0.00 179.24 177.03 3bfm s TRP 121 N -3.50 -0.51 -0.03 4.55 1.48 -1.26 -4.83 118.94 114.84 3bfm s TRP 121 Ca 0.01 0.39 -0.04 0.00 -1.06 0.00 0.00 56.10 55.40 3bfm s TRP 121 Cb 0.10 0.54 0.01 0.00 -1.16 0.00 0.00 33.47 32.95 3bfm s TRP 121 CO 0.67 -0.77 0.09 -1.17 -4.06 0.00 0.00 176.95 171.72 3bfm s LEU 122 N -2.53 1.67 -0.05 -4.66 0.20 -0.07 -1.99 118.68 111.24 3bfm s LEU 122 Ca 0.01 0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.95 3bfm s LEU 122 Cb -0.01 0.36 0.00 0.00 -0.43 0.00 0.00 46.19 46.11 3bfm s LEU 122 CO -0.10 -0.10 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.01 3bfm s VAL 123 N -0.27 1.39 -0.15 1.68 1.01 -0.21 -0.23 120.40 123.61 3bfm s VAL 123 Ca -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3bfm s VAL 123 Cb -0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3bfm s VAL 123 CO 0.00 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 3bfm s VAL 124 N 0.23 3.30 0.02 2.92 1.01 -0.50 -1.37 120.40 125.99 3bfm s VAL 124 Ca -0.08 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3bfm s VAL 124 Cb -0.13 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3bfm s VAL 124 CO 0.03 0.50 -0.21 -0.83 0.00 0.00 0.00 175.10 174.60 3bfm s GLY 125 N 0.53 1.48 -0.14 4.51 0.00 0.84 -0.80 107.32 113.75 3bfm s GLY 125 Ca -0.07 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 3bfm s GLY 125 CO 0.03 -1.03 -0.08 -2.27 0.00 0.00 0.00 173.10 169.76 3bfm s LEU 126 N -1.15 3.02 -0.14 0.66 2.96 0.10 0.01 118.68 124.15 3bfm s LEU 126 Ca 0.13 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3bfm s LEU 126 Cb -0.10 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.90 3bfm s LEU 126 CO 0.03 0.19 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.28 3bfm s ASP 127 N 0.23 2.67 -0.12 3.68 1.11 -0.14 -1.55 116.67 122.55 3bfm s ASP 127 Ca -0.05 -0.49 -0.02 0.00 0.18 0.00 0.00 52.55 52.17 3bfm s ASP 127 Cb -0.15 -1.19 0.04 0.00 1.07 0.00 0.00 42.92 42.70 3bfm s ASP 127 CO 0.04 -0.03 0.01 -0.22 1.18 0.00 0.00 175.17 176.15 3bfm s LEU 128 N 1.31 0.85 0.20 1.23 2.96 -0.14 -1.22 118.68 123.86 3bfm s LEU 128 Ca 0.01 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.26 3bfm s LEU 128 Cb -0.13 -0.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.94 3bfm s LEU 128 CO -0.08 -0.23 1.23 -2.16 -1.32 0.00 0.00 176.35 173.79 3bfm s PRO 129 N 1.91 4.46 -0.25 0.98 0.04 -1.26 -0.43 135.00 140.45 3bfm s PRO 129 Ca 0.03 1.93 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 3bfm s PRO 129 Cb -0.14 -3.22 -0.13 0.00 0.04 0.00 0.00 34.50 31.05 3bfm s PRO 129 CO -0.06 -0.12 -0.29 1.28 0.04 0.00 0.00 177.00 177.84 3bfm n LEU 130 N 2.44 2.19 -4.44 -3.56 4.77 0.13 -1.21 117.00 117.32 3bfm n LEU 130 Ca 0.04 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.92 3bfm n LEU 130 Cb 0.44 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 3bfm n LEU 130 CO 0.56 0.65 -0.52 0.26 -1.33 0.00 0.00 177.39 177.01 3bfm s TRP 131 N -2.47 2.34 0.26 -1.77 0.52 -1.05 -0.86 118.94 115.92 3bfm s TRP 131 Ca -0.35 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.13 3bfm s TRP 131 Cb 0.12 -1.17 -0.09 0.00 -1.15 0.00 0.00 33.47 31.17 3bfm s TRP 131 CO 0.48 0.48 1.22 -2.14 0.02 0.00 0.00 176.95 177.02 3bfm s PRO 132 N -2.60 4.48 -0.35 4.98 0.02 -1.26 -4.83 135.00 135.43 3bfm s PRO 132 Ca 0.20 2.00 -0.25 0.00 0.02 0.00 0.00 61.00 62.97 3bfm s PRO 132 Cb -0.08 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.29 3bfm s PRO 132 CO 0.10 -0.06 0.89 -1.83 -0.33 0.00 0.00 177.00 175.77 3bfm s GLU 133 N -1.07 3.89 -0.15 5.54 1.03 -1.26 -4.93 118.70 121.75 3bfm s GLU 133 Ca 0.50 0.60 0.16 0.00 0.03 0.00 0.00 54.97 56.25 3bfm s GLU 133 Cb -0.35 -3.78 0.58 0.00 -0.80 0.00 0.00 34.13 29.78 3bfm s GLU 133 CO 0.43 -0.86 1.49 0.41 -1.33 0.00 0.00 175.26 175.41 3bfm n GLY 134 N 4.29 3.47 0.07 -3.83 0.00 -1.26 -4.62 105.19 103.31 3bfm n GLY 134 Ca 0.06 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.31 3bfm n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bfm n ASP 135 N 0.09 0.44 0.00 1.61 5.75 -1.26 -4.89 116.55 118.29 3bfm n ASP 135 Ca 0.22 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.57 3bfm n ASP 135 Cb 0.88 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3bfm n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bfm n GLY 136 N 0.74 0.88 3.75 6.12 0.00 -1.26 -5.08 105.19 110.34 3bfm n GLY 136 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3bfm n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bfm s GLY 137 N -1.92 2.81 0.18 -0.02 0.00 -1.26 -4.98 107.32 102.13 3bfm s GLY 137 Ca 0.00 1.05 -0.32 0.00 0.00 0.00 0.00 44.72 45.45 3bfm s GLY 137 CO 0.00 1.82 1.64 -1.83 0.00 0.00 0.00 173.10 174.73 3bfm s GLU 138 N -0.91 4.17 -0.08 2.90 4.04 -1.26 -5.01 118.70 122.55 3bfm s GLU 138 Ca 0.51 2.47 -0.11 0.00 0.04 0.00 0.00 54.97 57.88 3bfm s GLU 138 Cb -0.35 -3.14 0.02 0.00 0.02 0.00 0.00 34.13 30.69 3bfm s GLU 138 CO 0.42 -0.68 0.28 -0.08 -1.84 0.00 0.00 175.26 173.36 3bfm s THR 139 N 1.21 0.02 -0.82 1.83 -1.32 -1.26 -5.02 115.64 110.28 3bfm s THR 139 Ca 0.72 -0.16 0.27 0.00 -1.21 0.00 0.00 61.69 61.31 3bfm s THR 139 Cb -0.46 -0.45 0.26 0.00 -1.51 0.00 0.00 72.50 70.34 3bfm s THR 139 CO 0.32 -0.09 1.82 -0.81 -2.21 0.00 0.00 174.62 173.64 3bfm n PRO 140 N 2.47 0.16 -2.37 7.08 -0.04 -1.26 -4.92 135.00 136.12 3bfm n PRO 140 Ca -0.15 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3bfm n PRO 140 Cb 0.57 -1.69 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3bfm n PRO 140 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bfm s ASP 141 N -3.92 7.10 -0.02 3.54 1.01 -1.26 -4.85 116.67 118.27 3bfm s ASP 141 Ca 0.11 2.31 0.19 0.00 0.71 0.00 0.00 52.55 55.87 3bfm s ASP 141 Cb 0.14 -2.62 -0.28 0.00 1.01 0.00 0.00 42.92 41.18 3bfm s ASP 141 CO 0.55 -0.33 0.53 -0.62 0.21 0.00 0.00 175.17 175.51 3bfm n GLU 142 N 1.90 0.64 -1.36 8.23 1.02 0.40 -5.00 120.64 126.47 3bfm n GLU 142 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3bfm n GLU 142 Cb 0.44 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3bfm n GLU 142 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3bfm n THR 143 N -1.98 0.00 -3.77 2.62 5.66 -0.99 -4.94 114.28 110.88 3bfm n THR 143 Ca -0.02 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.87 3bfm n THR 143 Cb 0.45 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.15 3bfm n THR 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bfm s ALA 144 N -1.57 -0.63 0.19 1.79 0.00 -1.26 -4.68 121.76 115.60 3bfm s ALA 144 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 3bfm s ALA 144 Cb 0.00 0.33 0.21 0.00 0.00 0.00 0.00 23.12 23.65 3bfm s ALA 144 CO 0.00 -0.41 1.72 1.25 0.00 0.00 0.00 175.76 178.31 3bfm h LEU 145 N 3.23 0.01 -0.01 0.00 5.85 -1.14 -0.70 115.31 122.55 3bfm h LEU 145 Ca -0.32 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3bfm h LEU 145 Cb 1.20 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3bfm h LEU 145 CO 0.47 0.03 0.00 -1.22 -0.34 0.00 0.00 178.44 177.38 3bfm n TYR 146 N -5.11 0.17 0.57 1.25 4.01 -0.04 -1.58 117.16 116.44 3bfm n TYR 146 Ca 0.06 0.05 0.13 0.00 -0.16 0.00 0.00 57.90 57.98 3bfm n TYR 146 Cb 0.26 -0.58 0.40 0.00 -0.31 0.00 0.00 39.34 39.10 3bfm n TYR 146 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bfm h ALA 147 N 2.87 1.00 -0.40 -0.72 0.00 -1.28 -3.37 119.26 117.35 3bfm h ALA 147 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3bfm h ALA 147 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3bfm h ALA 147 CO 0.00 0.00 0.03 0.39 0.00 0.00 0.00 179.25 179.67 3bfm n GLU 148 N -2.34 2.31 -0.55 0.00 -0.58 -0.62 -4.93 120.64 113.94 3bfm n GLU 148 Ca 0.05 -3.06 0.00 0.00 -0.42 0.00 0.00 57.16 53.74 3bfm n GLU 148 Cb 0.42 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 3bfm n GLU 148 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bfm n GLY 149 N -0.89 0.70 1.24 0.62 0.00 -1.25 -4.90 105.19 100.71 3bfm n GLY 149 Ca 0.32 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3bfm n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfm h ALA 151 N 1.15 1.46 -0.11 0.00 0.00 -1.83 -0.22 119.26 119.70 3bfm h ALA 151 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bfm h ALA 151 Cb 1.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3bfm h ALA 151 CO 0.44 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 3bfm n ASP 152 N -3.76 1.07 -4.58 0.00 5.68 -1.26 -4.77 116.55 108.92 3bfm n ASP 152 Ca -0.03 -1.63 -0.41 0.00 -0.50 0.00 0.00 54.79 52.22 3bfm n ASP 152 Cb 0.09 -0.07 -0.08 0.00 -1.14 0.00 0.00 41.12 39.92 3bfm n ASP 152 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3bfm s VAL 153 N -1.86 5.02 0.13 2.12 1.01 -0.10 -5.02 120.40 121.70 3bfm s VAL 153 Ca 0.29 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 3bfm s VAL 153 Cb 0.15 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3bfm s VAL 153 CO 0.23 -0.10 0.82 0.00 0.00 0.00 0.00 175.10 176.05 3bfm s ALA 154 N 2.41 3.38 0.15 5.51 0.00 -1.26 -4.98 121.76 126.97 3bfm s ALA 154 Ca 0.21 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 3bfm s ALA 154 Cb -0.15 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3bfm s ALA 154 CO 0.12 0.16 1.74 0.00 0.00 0.00 0.00 175.76 177.77 3bfm h ALA 155 N 4.94 0.56 -0.82 0.00 0.00 -1.98 -0.92 119.26 121.04 3bfm h ALA 155 Ca -0.45 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.41 3bfm h ALA 155 Cb 1.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3bfm h ALA 155 CO 0.69 0.10 0.51 -1.35 0.00 0.00 0.00 179.25 179.20 3bfm h PRO 156 N 0.56 0.93 -0.47 0.00 0.11 -2.00 -0.93 132.00 130.20 3bfm h PRO 156 Ca 0.15 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 3bfm h PRO 156 Cb 0.09 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3bfm h PRO 156 CO -0.02 0.62 -0.16 0.00 -0.21 0.00 0.00 178.00 178.23 3bfm h ARG 157 N 0.96 0.90 -0.42 1.05 2.47 -1.84 -2.09 114.38 115.41 3bfm h ARG 157 Ca 0.35 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3bfm h ARG 157 Cb 0.11 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3bfm h ARG 157 CO -0.15 1.00 0.22 1.25 0.56 0.00 0.00 179.97 182.85 3bfm h LEU 158 N 0.80 0.54 -0.20 3.04 5.85 -0.86 -0.98 115.31 123.49 3bfm h LEU 158 Ca 0.12 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3bfm h LEU 158 Cb 0.70 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3bfm h LEU 158 CO 0.05 0.48 -0.07 0.25 -0.34 0.00 0.00 178.44 178.82 3bfm h LEU 159 N 0.55 -0.24 -0.72 2.25 5.85 -1.11 0.16 115.31 122.05 3bfm h LEU 159 Ca 0.15 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3bfm h LEU 159 Cb 0.07 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3bfm h LEU 159 CO -0.02 -0.09 0.44 -0.33 -0.34 0.00 0.00 178.44 178.10 3bfm h GLU 160 N -0.03 0.82 -0.27 1.25 5.08 -1.27 -1.93 114.58 118.23 3bfm h GLU 160 Ca 0.10 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3bfm h GLU 160 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3bfm h GLU 160 CO -0.22 0.54 -0.42 0.77 -1.00 0.00 0.00 179.01 178.67 3bfm h SER 161 N 0.85 0.72 0.22 1.42 0.02 -0.85 -1.82 113.55 114.11 3bfm h SER 161 Ca 0.30 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3bfm h SER 161 Cb 0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3bfm h SER 161 CO -0.13 1.05 -0.11 -0.25 -1.14 0.00 0.00 176.83 176.24 3bfm h TRP 162 N 0.54 -0.28 -0.49 3.45 7.01 -0.39 0.06 115.95 125.85 3bfm h TRP 162 Ca 0.04 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.12 3bfm h TRP 162 Cb 0.96 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 28.04 3bfm h TRP 162 CO 0.05 -0.16 0.06 0.00 -2.79 0.00 0.00 178.44 175.60 3bfm h ALA 163 N 0.45 0.52 -0.17 2.65 0.00 -1.22 0.19 119.26 121.68 3bfm h ALA 163 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bfm h ALA 163 Cb 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3bfm h ALA 163 CO 0.05 -0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.03 3bfm h ARG 164 N 0.19 0.25 -0.21 0.00 3.08 -1.12 -1.37 114.38 115.19 3bfm h ARG 164 Ca 0.25 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 3bfm h ARG 164 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3bfm h ARG 164 CO -0.35 0.32 -0.45 0.45 -1.07 0.00 0.00 179.97 178.87 3bfm h HIS 165 N 0.11 0.63 -0.46 3.04 3.86 -0.61 -1.69 115.15 120.04 3bfm h HIS 165 Ca 0.06 -0.19 0.05 0.00 -1.16 0.00 0.00 60.37 59.12 3bfm h HIS 165 Cb 0.17 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.46 3bfm h HIS 165 CO -0.01 0.88 0.20 0.00 0.86 0.00 0.00 177.93 179.85 3bfm h LEU 167 N 0.40 1.00 -0.31 0.00 5.85 -1.01 0.38 115.31 121.61 3bfm h LEU 167 Ca 0.21 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3bfm h LEU 167 Cb 0.16 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3bfm h LEU 167 CO -0.18 0.81 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.95 3bfm h HIS 168 N 1.11 -0.11 -0.03 1.25 2.76 -0.95 -0.66 115.15 118.53 3bfm h HIS 168 Ca 0.28 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.31 3bfm h HIS 168 Cb 0.04 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3bfm h HIS 168 CO 0.00 -0.11 -0.71 -1.49 -1.30 0.00 0.00 177.93 174.32 3bfm h TRP 169 N 0.03 0.25 -0.46 5.26 4.06 -1.14 -2.00 115.95 121.96 3bfm h TRP 169 Ca 0.15 -0.11 -0.12 0.00 2.06 0.00 0.00 58.89 60.87 3bfm h TRP 169 Cb 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3bfm h TRP 169 CO -0.27 0.84 -0.17 0.82 -3.56 0.00 0.00 178.44 176.10 3bfm h ILE 170 N 0.12 1.27 -0.69 1.49 2.04 -0.67 0.12 117.51 121.19 3bfm h ILE 170 Ca -0.02 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3bfm h ILE 170 Cb 1.27 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 3bfm h ILE 170 CO 0.11 0.45 0.24 0.78 0.00 0.00 0.00 178.15 179.72 3bfm h ASN 171 N 0.78 0.97 -0.24 1.72 2.35 -0.88 -1.08 115.58 119.19 3bfm h ASN 171 Ca 0.11 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 3bfm h ASN 171 Cb 0.73 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3bfm h ASN 171 CO 0.06 0.89 -0.32 0.03 -1.65 0.00 0.00 177.43 176.43 3bfm h ARG 172 N 1.01 0.76 -0.48 0.81 3.08 -1.02 -1.56 114.38 116.98 3bfm h ARG 172 Ca 0.23 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3bfm h ARG 172 Cb 0.26 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3bfm h ARG 172 CO -0.01 0.98 0.29 2.35 -1.07 0.00 0.00 179.97 182.51 3bfm h TRP 173 N 0.64 0.55 -0.16 3.04 7.01 -0.43 -1.04 115.95 125.54 3bfm h TRP 173 Ca 0.07 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 3bfm h TRP 173 Cb 0.86 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 3bfm h TRP 173 CO 0.04 0.32 -0.00 0.22 -2.79 0.00 0.00 178.44 176.23 3bfm h ASP 174 N 0.58 0.21 -0.10 2.65 3.58 -0.80 -1.00 116.42 121.55 3bfm h ASP 174 Ca 0.19 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3bfm h ASP 174 Cb -0.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3bfm h ASP 174 CO -0.08 0.26 0.00 -0.62 -2.88 0.00 0.00 179.24 175.92 3bfm n GLU 175 N -4.39 1.31 -0.44 0.28 1.02 -0.62 -4.89 120.64 112.90 3bfm n GLU 175 Ca -0.01 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 3bfm n GLU 175 Cb 0.17 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3bfm n GLU 175 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bfm n GLY 176 N 0.83 0.74 2.00 0.62 0.00 -0.38 -4.99 105.19 104.01 3bfm n GLY 176 Ca 0.10 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3bfm n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bfm n GLU 177 N -2.44 2.05 -0.29 1.61 1.02 -0.44 -4.60 120.64 117.54 3bfm n GLU 177 Ca 0.00 -2.12 0.06 0.00 -0.02 0.00 0.00 57.16 55.08 3bfm n GLU 177 Cb 0.00 -1.83 0.21 0.00 -0.02 0.00 0.00 31.44 29.80 3bfm n GLU 177 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3bfm h LEU 178 N 2.08 0.57 -0.71 -4.62 5.85 -1.82 -2.52 115.31 114.14 3bfm h LEU 178 Ca 0.40 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.23 3bfm h LEU 178 Cb 1.14 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3bfm h LEU 178 CO 0.98 0.26 0.45 -0.08 -0.34 0.00 0.00 178.44 179.72 3bfm h GLU 179 N 0.67 0.88 -0.60 1.25 4.57 -1.99 0.11 114.58 119.46 3bfm h GLU 179 Ca 0.44 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.47 3bfm h GLU 179 Cb 0.57 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3bfm h GLU 179 CO -0.33 0.58 -0.01 1.15 -1.18 0.00 0.00 179.01 179.22 3bfm h THR 180 N 0.90 1.27 -0.47 0.32 2.02 -1.84 -2.21 112.91 112.89 3bfm h THR 180 Ca 0.28 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3bfm h THR 180 Cb -0.02 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3bfm h THR 180 CO -0.09 0.42 0.30 0.40 0.37 0.00 0.00 175.52 176.92 3bfm h ILE 181 N 0.96 1.08 -0.61 3.11 2.04 -0.98 -0.64 117.51 122.47 3bfm h ILE 181 Ca 0.17 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3bfm h ILE 181 Cb 0.57 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 3bfm h ILE 181 CO 0.03 0.11 0.26 0.45 0.00 0.00 0.00 178.15 179.01 3bfm h HIS 182 N 0.60 0.47 -0.41 1.37 3.86 -0.52 -0.59 115.15 119.93 3bfm h HIS 182 Ca 0.18 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3bfm h HIS 182 Cb -0.03 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3bfm h HIS 182 CO -0.06 0.16 0.17 0.78 0.86 0.00 0.00 177.93 179.84 3bfm h GLY 183 N 0.47 0.66 0.99 2.45 0.00 -0.82 0.33 103.07 107.15 3bfm h GLY 183 Ca 0.30 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3bfm h GLY 183 CO -0.27 0.33 0.34 0.83 0.00 0.00 0.00 176.54 177.77 3bfm h GLU 184 N 0.52 0.68 -0.38 4.80 4.39 -0.69 -2.75 114.58 121.15 3bfm h GLU 184 Ca 0.14 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 3bfm h GLU 184 Cb 0.18 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3bfm h GLU 184 CO -0.01 0.45 -0.06 2.35 -1.16 0.00 0.00 179.01 180.58 3bfm h TRP 185 N 0.70 0.79 -0.89 4.33 7.01 -0.92 -2.98 115.95 123.98 3bfm h TRP 185 Ca 0.19 -0.16 0.07 0.00 2.11 0.00 0.00 58.89 61.11 3bfm h TRP 185 Cb -0.07 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.73 3bfm h TRP 185 CO -0.04 0.83 0.58 -0.09 -2.79 0.00 0.00 178.44 176.93 3bfm h ARG 186 N 0.52 0.95 0.00 2.65 2.43 -0.79 -0.55 114.38 119.60 3bfm h ARG 186 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3bfm h ARG 186 Cb 0.55 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3bfm h ARG 186 CO 0.03 0.63 -0.10 0.78 -1.51 0.00 0.00 179.97 179.81 3bfm h GLY 187 N 0.98 0.00 -0.44 2.80 0.00 -1.33 -2.80 103.07 102.29 3bfm h GLY 187 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3bfm h GLY 187 CO -0.15 0.00 -0.74 1.04 0.00 0.00 0.00 176.54 176.69 3bfm n LEU 188 N -3.67 1.43 -4.74 3.11 4.77 -0.35 -5.01 117.00 112.53 3bfm n LEU 188 Ca -0.02 -0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 3bfm n LEU 188 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3bfm n LEU 188 CO 0.29 0.30 1.10 0.00 -1.33 0.00 0.00 177.39 177.76 3bfm s ALA 189 N -2.70 3.63 -0.10 -1.18 0.00 -0.41 -0.69 121.76 120.30 3bfm s ALA 189 Ca 0.12 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.11 3bfm s ALA 189 Cb 0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3bfm s ALA 189 CO 0.71 -0.73 0.95 -1.58 0.00 0.00 0.00 175.76 175.12 3bfm s HIS 190 N 0.07 3.52 0.00 0.00 2.46 0.73 -4.77 115.29 117.30 3bfm s HIS 190 Ca 0.60 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.65 3bfm s HIS 190 Cb -0.42 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 28.91 3bfm s HIS 190 CO 0.42 -0.18 0.00 0.41 -2.47 0.00 0.00 174.74 172.92 3bfm n GLY 191 N 3.13 -2.33 1.48 1.59 0.00 -1.26 -4.72 105.19 103.08 3bfm n GLY 191 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3bfm n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bfm n GLY 193 N 0.40 0.00 3.76 -0.02 0.00 0.12 -4.62 105.19 104.82 3bfm n GLY 193 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3bfm n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bfm s GLU 194 N 0.00 2.27 0.60 1.61 0.41 -1.26 -4.78 118.70 117.54 3bfm s GLU 194 Ca 0.00 -1.79 -0.20 0.00 -0.41 0.00 0.00 54.97 52.57 3bfm s GLU 194 Cb 0.00 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.28 3bfm s GLU 194 CO 0.00 -0.12 1.30 0.00 -0.49 0.00 0.00 175.26 175.96 3bfm s ALA 195 N -2.58 2.58 -0.20 5.21 0.00 -1.26 -0.75 121.76 124.77 3bfm s ALA 195 Ca 0.42 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 3bfm s ALA 195 Cb 0.03 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3bfm s ALA 195 CO 0.23 -1.43 0.66 0.50 0.00 0.00 0.00 175.76 175.73 3bfm s ARG 196 N -3.17 0.84 -0.09 0.00 6.06 0.99 -4.77 118.95 118.81 3bfm s ARG 196 Ca 0.77 0.73 0.02 0.00 -2.50 0.00 0.00 55.73 54.76 3bfm s ARG 196 Cb -0.37 0.41 -0.02 0.00 0.06 0.00 0.00 34.95 35.03 3bfm s ARG 196 CO 0.42 -0.15 -0.16 0.99 -2.50 0.00 0.00 175.30 173.89 3bfm s THR 197 N -0.07 2.84 -0.22 4.11 2.01 -1.26 -1.45 115.64 121.59 3bfm s THR 197 Ca -0.03 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 3bfm s THR 197 Cb -0.04 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.40 3bfm s THR 197 CO 0.03 0.56 0.57 -0.70 -0.69 0.00 0.00 174.62 174.39 3bfm s GLU 198 N -0.09 0.65 -1.66 4.92 2.56 0.68 -4.93 118.70 120.83 3bfm s GLU 198 Ca -0.03 0.86 -0.14 0.00 0.00 0.00 0.00 54.97 55.66 3bfm s GLU 198 Cb -0.14 0.26 0.13 0.00 2.00 0.00 0.00 34.13 36.38 3bfm s GLU 198 CO 0.04 -0.10 0.61 0.00 -0.56 0.00 0.00 175.26 175.25 3bfm n ALA 199 N 3.16 -1.47 -1.14 6.30 0.00 -1.26 -0.23 120.51 125.87 3bfm n ALA 199 Ca -0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 3bfm n ALA 199 Cb 0.56 -2.70 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 3bfm n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bfm n GLY 200 N -1.58 0.69 3.31 0.00 0.00 -1.26 -5.01 105.19 101.34 3bfm n GLY 200 Ca -0.03 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 3bfm n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bfm s ARG 201 N -1.85 1.21 0.11 1.61 0.52 0.68 -5.15 118.95 116.07 3bfm s ARG 201 Ca 0.00 -1.19 0.06 0.00 -0.52 0.00 0.00 55.73 54.08 3bfm s ARG 201 Cb 0.00 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 3bfm s ARG 201 CO 0.00 0.36 -0.14 -1.12 0.02 0.00 0.00 175.30 174.41 3bfm s SER 202 N -1.89 1.99 0.00 0.23 0.01 -1.26 -0.23 113.70 112.55 3bfm s SER 202 Ca 0.08 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.56 3bfm s SER 202 Cb -0.10 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3bfm s SER 202 CO 0.04 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3bfm n GLY 203 N 0.66 -0.58 3.75 3.44 0.00 -0.53 -4.28 105.19 107.66 3bfm n GLY 203 Ca -0.16 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 3bfm n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bfm s THR 204 N -3.00 5.31 -0.75 2.61 2.01 0.44 -0.01 115.64 122.26 3bfm s THR 204 Ca 0.00 0.50 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 3bfm s THR 204 Cb 0.00 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.93 3bfm s THR 204 CO 0.00 0.44 1.46 0.12 -0.69 0.00 0.00 174.62 175.94 3bfm s PHE 205 N 0.16 2.15 -0.09 4.92 5.36 0.07 -1.36 117.98 129.20 3bfm s PHE 205 Ca 0.16 0.07 -0.27 0.00 -0.96 0.00 0.00 56.93 55.93 3bfm s PHE 205 Cb -0.13 -4.49 -0.24 0.00 -0.34 0.00 0.00 43.02 37.82 3bfm s PHE 205 CO 0.04 -2.10 0.96 1.25 -1.46 0.00 0.00 175.22 173.91 3bfm h LEU 206 N 13.96 0.06 0.00 6.12 5.85 -1.38 0.34 115.31 140.27 3bfm h LEU 206 Ca -0.20 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.70 3bfm h LEU 206 Cb 1.07 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3bfm h LEU 206 CO 1.28 0.87 0.00 0.61 -0.34 0.00 0.00 178.44 180.86 3bfm n GLY 207 N 1.12 -0.67 3.22 3.75 0.00 -1.22 -4.60 105.19 106.78 3bfm n GLY 207 Ca -0.10 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 3bfm n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bfm s VAL 208 N -3.73 1.20 0.86 1.61 -7.23 -1.26 -0.68 120.40 111.17 3bfm s VAL 208 Ca 0.00 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3bfm s VAL 208 Cb 0.00 -1.44 0.19 0.00 0.56 0.00 0.00 36.38 35.69 3bfm s VAL 208 CO 0.00 -0.45 1.17 -0.90 -0.31 0.00 0.00 175.10 174.61 3bfm n ASP 209 N 0.59 0.39 0.24 4.85 5.75 -0.33 -4.89 116.55 123.15 3bfm n ASP 209 Ca -0.16 -1.60 0.07 0.00 -0.01 0.00 0.00 54.79 53.09 3bfm n ASP 209 Cb 0.57 -0.87 0.58 0.00 -1.03 0.00 0.00 41.12 40.37 3bfm n ASP 209 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3bfm h GLU 210 N 0.00 0.00 -0.50 0.11 9.09 -2.02 0.21 114.58 121.47 3bfm h GLU 210 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 3bfm h GLU 210 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3bfm h GLU 210 CO 0.30 0.11 0.00 -0.25 0.05 0.00 0.00 179.01 179.22 3bfm n ASP 211 N -4.33 2.20 -1.18 3.06 8.00 -1.26 -4.91 116.55 118.13 3bfm n ASP 211 Ca -0.03 -2.15 -0.13 0.00 0.71 0.00 0.00 54.79 53.19 3bfm n ASP 211 Cb 0.19 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 3bfm n ASP 211 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bfm n PHE 212 N 0.38 -0.20 0.00 1.24 3.72 0.06 -4.62 117.46 118.05 3bfm n PHE 212 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3bfm n PHE 212 Cb 0.41 -2.57 0.00 0.00 -0.94 0.00 0.00 39.48 36.38 3bfm n PHE 212 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bfm n GLY 213 N -1.23 -0.63 3.10 1.37 0.00 -1.26 -4.41 105.19 102.14 3bfm n GLY 213 Ca -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 3bfm n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bfm s LEU 215 N 0.00 -0.91 -0.27 0.99 1.43 0.15 -1.19 118.68 118.87 3bfm s LEU 215 Ca 0.00 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3bfm s LEU 215 Cb 0.00 1.57 0.06 0.00 0.03 0.00 0.00 46.19 47.85 3bfm s LEU 215 CO 0.00 -0.27 -0.08 -0.22 0.23 0.00 0.00 176.35 176.01 3bfm s LEU 216 N 2.68 3.59 -0.35 1.79 2.96 -0.32 -0.97 118.68 128.05 3bfm s LEU 216 Ca 0.11 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.52 3bfm s LEU 216 Cb -0.14 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3bfm s LEU 216 CO -0.17 -0.21 0.33 -0.60 -1.32 0.00 0.00 176.35 174.38 3bfm s ARG 217 N 1.15 3.46 0.00 1.98 3.52 -0.46 0.15 118.95 128.75 3bfm s ARG 217 Ca -0.08 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3bfm s ARG 217 Cb -0.20 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 3bfm s ARG 217 CO -0.04 -0.55 0.00 -0.40 -0.81 0.00 0.00 175.30 173.50 3bfm n ASP 218 N 5.32 0.00 0.19 -2.12 5.68 -0.33 -0.42 116.55 124.87 3bfm n ASP 218 Ca -0.10 -0.29 0.04 0.00 -0.50 0.00 0.00 54.79 53.93 3bfm n ASP 218 Cb 0.49 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.87 3bfm n ASP 218 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3bfm h GLU 219 N 0.00 0.00 0.00 0.11 5.08 -1.98 -3.31 114.58 114.48 3bfm h GLU 219 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bfm h GLU 219 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bfm h GLU 219 CO 0.00 0.34 0.00 0.25 -1.00 0.00 0.00 179.01 178.60 3bfm n THR 220 N -4.01 0.00 -3.74 1.13 -2.24 -1.26 -5.09 114.28 99.07 3bfm n THR 220 Ca -0.02 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 3bfm n THR 220 Cb 0.39 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3bfm n THR 220 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3bfm s THR 221 N -0.54 0.01 -0.17 4.28 -1.32 -1.25 -5.14 115.64 111.52 3bfm s THR 221 Ca 0.00 -0.75 -0.01 0.00 -1.21 0.00 0.00 61.69 59.72 3bfm s THR 221 Cb 0.00 -1.64 -0.00 0.00 -1.51 0.00 0.00 72.50 69.34 3bfm s THR 221 CO 0.00 -0.06 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.34 3bfm s THR 222 N -3.88 2.87 0.10 5.08 2.01 -1.26 -1.19 115.64 119.38 3bfm s THR 222 Ca 0.09 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 3bfm s THR 222 Cb -0.02 -2.24 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 3bfm s THR 222 CO -0.01 0.49 0.55 -1.00 -0.69 0.00 0.00 174.62 173.97 3bfm s HIS 223 N 0.97 3.71 -0.26 4.92 3.76 0.12 -4.91 115.29 123.61 3bfm s HIS 223 Ca -0.02 1.16 -0.07 0.00 -0.15 0.00 0.00 55.06 55.99 3bfm s HIS 223 Cb -0.15 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 3bfm s HIS 223 CO -0.02 0.52 0.06 -1.17 -0.85 0.00 0.00 174.74 173.29 3bfm s LEU 224 N -1.50 3.52 -0.40 0.89 2.96 -1.26 -1.17 118.68 121.72 3bfm s LEU 224 Ca 0.33 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 3bfm s LEU 224 Cb -0.17 -1.89 0.07 0.00 0.50 0.00 0.00 46.19 44.69 3bfm s LEU 224 CO 0.19 -0.08 0.21 -0.63 -1.32 0.00 0.00 176.35 174.71 3bfm s ILE 225 N 1.57 4.01 0.55 6.68 1.01 -1.26 -5.04 121.20 128.72 3bfm s ILE 225 Ca 0.05 -1.40 -0.20 0.00 0.00 0.00 0.00 60.65 59.10 3bfm s ILE 225 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3bfm s ILE 225 CO 0.03 -0.44 1.19 -2.84 0.00 0.00 0.00 174.94 172.87 3bfm s PRO 226 N 1.39 3.24 0.56 2.79 0.02 -1.26 -4.44 135.00 137.30 3bfm s PRO 226 Ca 0.02 1.78 0.34 0.00 0.02 0.00 0.00 61.00 63.16 3bfm s PRO 226 Cb -0.22 -2.06 1.58 0.00 0.02 0.00 0.00 34.50 33.82 3bfm s PRO 226 CO 0.02 -0.98 2.08 1.25 -0.33 0.00 0.00 177.00 179.03 3bfm h LEU 227 N 1.22 0.00 -1.92 -5.54 5.85 -1.82 -2.02 115.31 111.09 3bfm h LEU 227 Ca -0.50 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.32 3bfm h LEU 227 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3bfm h LEU 227 CO 0.57 0.05 0.45 0.71 -0.34 0.00 0.00 178.44 179.88 3bfm h THR 228 N 0.00 0.27 0.00 1.05 1.35 -1.92 -1.50 112.91 112.16 3bfm h THR 228 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3bfm h THR 228 Cb 0.38 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3bfm h THR 228 CO 0.01 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 3bfm h THR 229 N 0.00 0.00 -0.02 6.82 1.35 -1.73 -2.33 112.91 116.99 3bfm h THR 229 Ca 0.16 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3bfm h THR 229 Cb 1.07 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3bfm h THR 229 CO -0.00 0.00 -0.08 1.33 -0.25 0.00 0.00 175.52 176.51 3bfm n VAL 230 N -3.00 0.00 -1.67 6.82 0.24 -0.57 -4.93 118.33 115.22 3bfm n VAL 230 Ca -0.02 -0.32 -0.45 0.00 -2.04 0.00 0.00 64.34 61.50 3bfm n VAL 230 Cb 0.13 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 3bfm n VAL 230 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3bfm n LEU 231 N 0.47 3.19 -4.68 1.34 4.77 -0.88 -4.66 117.00 116.54 3bfm n LEU 231 Ca 0.15 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.81 3bfm n LEU 231 Cb 0.45 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 3bfm n LEU 231 CO 0.18 -0.29 1.09 -0.69 -1.33 0.00 0.00 177.39 176.36 3bfm s VAL 232 N 0.69 3.87 -2.56 4.08 1.01 -0.39 -5.02 120.40 122.06 3bfm s VAL 232 Ca 0.76 1.22 0.28 0.00 0.00 0.00 0.00 61.98 64.23 3bfm s VAL 232 Cb -0.66 -3.78 0.51 0.00 0.00 0.00 0.00 36.38 32.45 3bfm s VAL 232 CO 0.40 -0.02 1.69 0.00 0.00 0.00 0.00 175.10 177.17