#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxr s LEU 2 N 0.00 3.65 -0.34 -0.89 1.43 -1.26 -4.95 118.68 116.32 3fxr s LEU 2 Ca 0.00 2.69 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 3fxr s LEU 2 Cb 0.00 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.78 3fxr s LEU 2 CO 0.00 -1.91 0.06 -0.75 0.23 0.00 0.00 176.35 173.98 3fxr s LYS 3 N -3.25 2.07 0.61 1.70 2.20 -1.26 -4.99 119.74 116.83 3fxr s LYS 3 Ca 0.80 -1.57 0.31 0.00 -0.36 0.00 0.00 55.97 55.14 3fxr s LYS 3 Cb -0.39 -3.27 1.76 0.00 -1.51 0.00 0.00 37.83 34.42 3fxr s LYS 3 CO 0.43 -0.82 2.13 -0.07 -0.36 0.00 0.00 175.35 176.66 3fxr h LEU 4 N 7.90 0.00 -1.43 5.43 4.07 -2.02 0.36 115.31 129.62 3fxr h LEU 4 Ca -0.15 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 3fxr h LEU 4 Cb 1.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 3fxr h LEU 4 CO 0.57 0.00 -0.26 -0.61 -1.08 0.00 0.00 178.44 177.06 3fxr h GLN 5 N 0.00 0.03 0.00 1.13 4.15 -2.03 -2.92 115.11 115.47 3fxr h GLN 5 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3fxr h GLN 5 Cb 0.41 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3fxr h GLN 5 CO -0.00 0.30 -0.48 1.15 -1.93 0.00 0.00 178.83 177.86 3fxr h THR 6 N 0.03 0.19 -0.90 2.39 2.02 -1.30 -3.33 112.91 112.01 3fxr h THR 6 Ca 0.00 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 65.93 3fxr h THR 6 Cb 0.48 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 3fxr h THR 6 CO 0.03 0.11 0.58 -0.07 0.37 0.00 0.00 175.52 176.54 3fxr h LEU 7 N 0.00 0.96 -0.76 2.58 3.38 -1.54 -0.64 115.31 119.29 3fxr h LEU 7 Ca -0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3fxr h LEU 7 Cb 1.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3fxr h LEU 7 CO 0.01 0.66 -0.23 -0.61 0.09 0.00 0.00 178.44 178.36 3fxr h GLN 8 N 1.12 0.70 -0.02 1.13 5.75 -1.72 -0.98 115.11 121.09 3fxr h GLN 8 Ca 0.36 -0.28 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3fxr h GLN 8 Cb 0.02 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 3fxr h GLN 8 CO -0.12 0.86 -0.38 0.00 -2.65 0.00 0.00 178.83 176.54 3fxr h ALA 9 N 1.14 -0.57 -0.64 3.38 0.00 -1.48 0.10 119.26 121.19 3fxr h ALA 9 Ca 0.09 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fxr h ALA 9 Cb 0.71 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 3fxr h ALA 9 CO 0.05 -0.90 0.33 1.25 0.00 0.00 0.00 179.25 179.98 3fxr h LEU 10 N -0.52 0.45 -0.04 0.00 5.85 -0.93 -0.70 115.31 119.42 3fxr h LEU 10 Ca 0.06 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3fxr h LEU 10 Cb 0.62 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3fxr h LEU 10 CO -0.31 0.29 -0.16 0.40 -0.34 0.00 0.00 178.44 178.32 3fxr h ILE 11 N 0.60 0.60 -0.27 4.05 2.04 -0.72 -1.57 117.51 122.24 3fxr h ILE 11 Ca 0.30 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.18 3fxr h ILE 11 Cb 0.24 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3fxr h ILE 11 CO -0.21 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.06 3fxr h ILE 13 N 0.26 1.15 0.00 0.00 2.04 -0.91 -1.84 117.51 118.21 3fxr h ILE 13 Ca 0.12 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 3fxr h ILE 13 Cb 0.06 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3fxr h ILE 13 CO -0.10 0.15 -0.56 1.05 0.00 0.00 0.00 178.15 178.69 3fxr h GLU 14 N 0.82 0.00 0.16 2.37 -0.00 -0.96 -1.78 114.58 115.18 3fxr h GLU 14 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.58 3fxr h GLU 14 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.68 3fxr h GLU 14 CO -0.05 0.56 -0.08 0.93 -0.00 0.00 0.00 179.01 180.37 3fxr h GLU 15 N 0.00 -0.21 0.00 1.06 5.08 -0.90 -3.33 114.58 116.29 3fxr h GLU 15 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fxr h GLU 15 Cb 1.07 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3fxr h GLU 15 CO 0.07 -0.14 0.00 -0.39 -1.00 0.00 0.00 179.01 177.56 3fxr h VAL 16 N -0.95 0.00 0.00 3.13 -1.51 -1.50 -3.46 116.25 111.96 3fxr h VAL 16 Ca -0.02 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3fxr h VAL 16 Cb 0.16 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3fxr h VAL 16 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 3fxr n GLY 17 N -0.06 0.37 3.24 5.19 0.00 -0.67 -4.96 105.19 108.29 3fxr n GLY 17 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3fxr n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxr s SER 18 N -2.31 2.55 0.07 1.61 0.15 -1.25 -2.09 113.70 112.43 3fxr s SER 18 Ca 0.00 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.09 3fxr s SER 18 Cb 0.00 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 3fxr s SER 18 CO 0.00 0.27 1.28 0.17 1.20 0.00 0.00 173.24 176.16 3fxr h LEU 19 N 5.61 -1.00 -0.07 3.45 -0.00 -1.90 -3.05 115.31 118.36 3fxr h LEU 19 Ca -0.40 0.13 -0.25 0.00 -0.00 0.00 0.00 57.88 57.37 3fxr h LEU 19 Cb 1.14 0.41 0.01 0.00 -0.00 0.00 0.00 40.66 42.22 3fxr h LEU 19 CO 0.48 -0.20 -1.05 0.03 -0.00 0.00 0.00 178.44 177.70 3fxr h ARG 20 N -0.18 0.42 0.00 0.17 2.47 -2.00 -3.15 114.38 112.11 3fxr h ARG 20 Ca 0.04 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3fxr h ARG 20 Cb 0.30 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3fxr h ARG 20 CO -0.34 1.17 0.04 0.00 0.56 0.00 0.00 179.97 181.41 3fxr h ALA 21 N 0.64 1.04 0.00 0.04 0.00 -1.95 0.64 119.26 119.67 3fxr h ALA 21 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fxr h ALA 21 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3fxr h ALA 21 CO 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3fxr h ALA 22 N 1.90 1.00 0.00 0.00 0.00 -1.48 -3.33 119.26 117.35 3fxr h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fxr h ALA 22 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fxr h ALA 22 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.45 3fxr h ALA 23 N 2.05 1.14 0.00 0.00 0.00 -1.03 -0.22 119.26 121.20 3fxr h ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fxr h ALA 23 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fxr h ALA 23 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3fxr n GLN 24 N -2.23 0.26 0.00 0.00 10.64 -1.25 -0.94 117.38 123.86 3fxr n GLN 24 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 3fxr n GLN 24 Cb 0.22 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 3fxr n GLN 24 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3fxr n LEU 25 N -0.71 1.37 -3.93 2.61 4.77 -0.10 -4.80 117.00 116.21 3fxr n LEU 25 Ca 0.03 -0.68 -0.26 0.00 -0.03 0.00 0.00 56.01 55.06 3fxr n LEU 25 Cb 0.01 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 3fxr n LEU 25 CO 0.02 0.29 -0.16 0.18 -1.33 0.00 0.00 177.39 176.39 3fxr n LEU 26 N 0.12 -2.36 -2.28 2.23 4.77 -1.06 -4.93 117.00 113.50 3fxr n LEU 26 Ca 0.00 -0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 54.73 3fxr n LEU 26 Cb 0.29 -2.31 0.03 0.00 -2.33 0.00 0.00 43.42 39.10 3fxr n LEU 26 CO 0.00 0.42 0.64 1.41 -1.33 0.00 0.00 177.39 178.53 3fxr n HIS 27 N -4.40 3.02 1.50 -1.77 8.25 -0.12 -4.71 115.22 117.00 3fxr n HIS 27 Ca -0.24 -2.61 0.00 0.00 -0.26 0.00 0.00 57.72 54.61 3fxr n HIS 27 Cb 0.65 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3fxr n HIS 27 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fxr n LEU 28 N -0.70 0.28 -0.05 2.41 4.77 -1.21 -3.27 117.00 119.23 3fxr n LEU 28 Ca 0.49 -0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 3fxr n LEU 28 Cb 0.76 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3fxr n LEU 28 CO 0.50 0.07 -0.80 -1.20 -1.33 0.00 0.00 177.39 174.63 3fxr n SER 29 N -0.33 3.18 -3.63 -1.43 7.64 -1.26 -5.09 113.62 112.70 3fxr n SER 29 Ca 0.00 -0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 3fxr n SER 29 Cb 0.07 0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 3fxr n SER 29 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3fxr s GLN 30 N -2.19 0.89 0.00 1.43 -0.21 -1.20 -5.04 119.66 113.33 3fxr s GLN 30 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.27 3fxr s GLN 30 Cb 0.03 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.45 3fxr s GLN 30 CO 0.26 -0.27 1.59 -0.35 -2.12 0.00 0.00 175.29 174.40 3fxr n PRO 31 N 0.98 0.94 -0.11 2.91 -0.04 -1.26 -4.33 135.00 134.10 3fxr n PRO 31 Ca -0.20 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.28 3fxr n PRO 31 Cb 0.57 -1.03 0.06 0.00 -0.04 0.00 0.00 33.50 33.07 3fxr n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fxr n ALA 32 N 1.22 2.59 -0.22 0.55 0.00 -1.26 -2.45 120.51 120.93 3fxr n ALA 32 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 3fxr n ALA 32 Cb 0.47 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.95 3fxr n ALA 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fxr h LEU 33 N 0.74 0.97 -0.35 0.00 5.85 -1.96 -2.88 115.31 117.69 3fxr h LEU 33 Ca 0.00 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3fxr h LEU 33 Cb 0.42 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3fxr h LEU 33 CO 0.04 0.97 0.05 -1.28 -0.34 0.00 0.00 178.44 177.88 3fxr h SER 34 N 0.94 -0.02 -0.80 1.25 0.87 -1.86 -0.99 113.55 112.93 3fxr h SER 34 Ca 0.20 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 3fxr h SER 34 Cb 0.39 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 3fxr h SER 34 CO 0.01 0.02 0.49 0.00 -0.53 0.00 0.00 176.83 176.82 3fxr h ALA 35 N 1.27 1.09 -0.85 6.23 0.00 -1.75 0.15 119.26 125.41 3fxr h ALA 35 Ca 0.17 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3fxr h ALA 35 Cb 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3fxr h ALA 35 CO -0.23 0.23 0.54 0.00 0.00 0.00 0.00 179.25 179.79 3fxr h ALA 36 N 1.38 1.12 -0.07 0.00 0.00 -1.17 -2.13 119.26 118.39 3fxr h ALA 36 Ca 0.35 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 3fxr h ALA 36 Cb 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fxr h ALA 36 CO -0.16 0.37 -0.76 0.82 0.00 0.00 0.00 179.25 179.52 3fxr h ILE 37 N 1.05 1.38 -0.84 0.00 1.08 -0.59 -2.97 117.51 116.62 3fxr h ILE 37 Ca 0.34 -2.17 0.09 0.00 -0.39 0.00 0.00 64.86 62.73 3fxr h ILE 37 Cb 0.02 2.14 -0.07 0.00 -3.07 0.00 0.00 36.82 35.84 3fxr h ILE 37 CO -0.12 0.65 0.49 1.56 -0.69 0.00 0.00 178.15 180.04 3fxr h GLN 38 N 0.29 0.80 -0.20 2.37 1.08 -0.35 0.17 115.11 119.27 3fxr h GLN 38 Ca -0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3fxr h GLN 38 Cb 1.35 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 3fxr h GLN 38 CO 0.13 0.53 0.03 1.96 -0.95 0.00 0.00 178.83 180.53 3fxr h GLN 39 N 0.83 0.32 -0.72 1.46 4.20 -1.38 -1.65 115.11 118.17 3fxr h GLN 39 Ca 0.40 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 3fxr h GLN 39 Cb 0.34 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3fxr h GLN 39 CO -0.24 0.48 0.34 1.25 -0.67 0.00 0.00 178.83 180.00 3fxr h LEU 40 N 0.12 0.94 -1.09 1.46 5.85 -1.26 -0.54 115.31 120.79 3fxr h LEU 40 Ca 0.06 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3fxr h LEU 40 Cb 0.31 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3fxr h LEU 40 CO 0.00 0.81 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.52 3fxr h GLU 41 N 1.00 0.57 0.00 1.25 5.08 -0.60 -1.99 114.58 119.89 3fxr h GLU 41 Ca 0.25 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3fxr h GLU 41 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3fxr h GLU 41 CO -0.03 0.64 -0.64 0.22 -1.00 0.00 0.00 179.01 178.20 3fxr h ASP 42 N 0.53 0.00 0.10 1.42 3.58 -0.78 0.46 116.42 121.73 3fxr h ASP 42 Ca 0.10 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 3fxr h ASP 42 Cb 0.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3fxr h ASP 42 CO 0.02 0.64 -0.48 -0.33 -2.88 0.00 0.00 179.24 176.21 3fxr h GLU 43 N 0.00 0.44 0.00 0.28 5.08 -0.73 -2.73 114.58 116.91 3fxr h GLU 43 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3fxr h GLU 43 Cb 1.40 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3fxr h GLU 43 CO 0.08 0.83 -1.06 1.28 -1.00 0.00 0.00 179.01 179.14 3fxr n LEU 44 N -3.98 0.60 -3.66 1.33 4.77 -0.78 -4.89 117.00 110.39 3fxr n LEU 44 Ca -0.02 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 3fxr n LEU 44 Cb 0.55 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3fxr n LEU 44 CO 0.45 0.04 0.00 1.17 -1.33 0.00 0.00 177.39 177.72 3fxr n LYS 45 N -1.99 -5.50 -3.65 3.23 4.81 0.14 -5.00 118.16 110.21 3fxr n LYS 45 Ca 0.02 0.68 -0.14 0.00 -0.87 0.00 0.00 58.31 57.99 3fxr n LYS 45 Cb 0.44 -5.39 -0.08 0.00 0.02 0.00 0.00 35.03 30.02 3fxr n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fxr s ALA 46 N -3.55 -1.58 0.18 3.14 0.00 -0.08 -5.00 121.76 114.87 3fxr s ALA 46 Ca 0.10 1.73 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 3fxr s ALA 46 Cb -0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 3fxr s ALA 46 CO 0.79 -0.31 1.48 -1.25 0.00 0.00 0.00 175.76 176.47 3fxr s PRO 47 N 0.16 4.26 -0.22 0.00 0.04 -1.26 -4.55 135.00 133.44 3fxr s PRO 47 Ca -0.01 2.26 0.01 0.00 0.04 0.00 0.00 61.00 63.30 3fxr s PRO 47 Cb -0.04 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.19 3fxr s PRO 47 CO 0.02 -0.50 -0.20 1.28 0.04 0.00 0.00 177.00 177.64 3fxr n LEU 48 N 3.45 2.92 -4.84 -3.56 4.77 -1.26 -4.34 117.00 114.14 3fxr n LEU 48 Ca 0.11 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.77 3fxr n LEU 48 Cb 0.40 -0.77 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 3fxr n LEU 48 CO 0.60 0.86 -0.04 -0.76 -1.33 0.00 0.00 177.39 176.72 3fxr s LEU 49 N -6.35 3.35 -0.15 2.23 1.43 -1.26 -0.82 118.68 117.11 3fxr s LEU 49 Ca -0.30 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 51.92 3fxr s LEU 49 Cb 0.08 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3fxr s LEU 49 CO 0.51 -0.60 0.36 0.54 0.23 0.00 0.00 176.35 177.39 3fxr s VAL 50 N -2.49 -0.03 -0.09 -1.59 0.11 0.16 -4.62 120.40 111.86 3fxr s VAL 50 Ca 0.46 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 3fxr s VAL 50 Cb -0.02 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.21 3fxr s VAL 50 CO 0.27 0.04 2.08 -2.11 -3.33 0.00 0.00 175.10 172.04 3fxr n ARG 51 N 4.17 2.40 -4.45 1.54 0.00 -1.26 -1.73 116.66 117.33 3fxr n ARG 51 Ca -0.23 0.80 -0.23 0.00 -0.00 0.00 0.00 57.85 58.19 3fxr n ARG 51 Cb 0.55 -3.05 -0.09 0.00 -0.00 0.00 0.00 32.46 29.87 3fxr n ARG 51 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3fxr s THR 52 N 6.06 0.59 0.36 8.89 -1.32 -0.11 -4.94 115.64 125.17 3fxr s THR 52 Ca 0.95 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 3fxr s THR 52 Cb -0.43 -2.46 0.30 0.00 -1.51 0.00 0.00 72.50 68.40 3fxr s THR 52 CO 0.40 0.00 1.93 0.11 -2.21 0.00 0.00 174.62 174.86 3fxr h LYS 53 N 1.96 0.72 -0.00 7.08 6.56 -1.98 -2.70 116.57 128.21 3fxr h LYS 53 Ca -0.35 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 3fxr h LYS 53 Cb 1.26 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 3fxr h LYS 53 CO 0.57 0.48 -0.10 -2.13 -2.06 0.00 0.00 179.45 176.21 3fxr n ARG 54 N -4.50 2.25 0.00 3.15 0.63 -1.26 -5.08 116.66 111.85 3fxr n ARG 54 Ca 0.12 -0.46 0.00 0.00 -0.92 0.00 0.00 57.85 56.60 3fxr n ARG 54 Cb 0.29 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.27 3fxr n ARG 54 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fxr n GLY 55 N 0.65 -1.13 2.99 5.14 0.00 -1.02 -4.96 105.19 106.86 3fxr n GLY 55 Ca 0.02 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 3fxr n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxr s VAL 56 N 0.00 0.74 0.01 1.61 0.11 -0.89 -0.94 120.40 121.04 3fxr s VAL 56 Ca 0.00 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 3fxr s VAL 56 Cb 0.00 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3fxr s VAL 56 CO 0.00 0.24 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.43 3fxr s SER 57 N 0.25 1.58 0.48 3.54 0.01 -0.71 -4.55 113.70 114.31 3fxr s SER 57 Ca -0.04 -0.31 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 3fxr s SER 57 Cb -0.09 -0.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 3fxr s SER 57 CO 0.00 0.12 1.33 -0.76 0.41 0.00 0.00 173.24 174.35 3fxr s LEU 58 N -0.58 4.01 0.89 2.44 1.43 -1.26 0.39 118.68 126.01 3fxr s LEU 58 Ca 0.04 2.71 -0.13 0.00 -1.03 0.00 0.00 54.13 55.71 3fxr s LEU 58 Cb -0.06 -4.11 0.13 0.00 0.03 0.00 0.00 46.19 42.19 3fxr s LEU 58 CO 0.00 -1.22 1.20 0.42 0.23 0.00 0.00 176.35 176.98 3fxr s THR 59 N -1.31 1.98 0.45 5.49 -4.23 -0.00 -4.81 115.64 113.21 3fxr s THR 59 Ca 0.65 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.32 3fxr s THR 59 Cb -0.39 -2.92 0.35 0.00 1.34 0.00 0.00 72.50 70.88 3fxr s THR 59 CO 0.48 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 177.30 3fxr h SER 60 N -1.38 0.32 -0.13 3.99 4.64 -1.89 -0.50 113.55 118.59 3fxr h SER 60 Ca -0.47 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3fxr h SER 60 Cb 1.30 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3fxr h SER 60 CO 0.56 0.18 0.05 -0.26 -0.87 0.00 0.00 176.83 176.50 3fxr h PHE 61 N 0.35 0.20 -0.31 4.77 0.04 -1.90 -1.34 116.94 118.74 3fxr h PHE 61 Ca 0.30 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.11 3fxr h PHE 61 Cb 0.70 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 3fxr h PHE 61 CO -0.00 0.28 -0.00 0.78 -0.60 0.00 0.00 178.31 178.77 3fxr h GLY 62 N 0.06 0.30 0.73 -1.45 0.00 -1.28 -1.24 103.07 100.20 3fxr h GLY 62 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.45 3fxr h GLY 62 CO -0.00 -0.07 0.21 1.46 0.00 0.00 0.00 176.54 178.14 3fxr h GLN 63 N 0.09 0.41 -0.46 4.80 4.20 -1.17 -2.03 115.11 120.95 3fxr h GLN 63 Ca 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3fxr h GLN 63 Cb 0.20 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3fxr h GLN 63 CO -0.25 0.27 0.24 0.00 -0.67 0.00 0.00 178.83 178.42 3fxr h ALA 64 N 1.25 1.56 0.00 3.87 0.00 -0.86 -2.85 119.26 122.22 3fxr h ALA 64 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fxr h ALA 64 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fxr h ALA 64 CO -0.15 0.37 0.00 0.35 0.00 0.00 0.00 179.25 179.82 3fxr h PHE 65 N 0.64 0.00 -0.42 0.00 3.57 -0.50 -3.37 116.94 116.86 3fxr h PHE 65 Ca 0.16 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3fxr h PHE 65 Cb 0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3fxr h PHE 65 CO 0.00 0.00 0.05 0.52 -2.23 0.00 0.00 178.31 176.66 3fxr h MET 66 N 0.00 0.71 -0.62 1.11 2.86 -1.24 -0.93 114.93 116.81 3fxr h MET 66 Ca 0.00 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3fxr h MET 66 Cb 0.64 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 3fxr h MET 66 CO 0.00 0.75 0.39 1.57 1.06 0.00 0.00 176.91 180.69 3fxr h LYS 67 N 0.55 0.76 -0.24 1.72 2.10 -1.78 0.25 116.57 119.94 3fxr h LYS 67 Ca 0.13 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 3fxr h LYS 67 Cb 0.40 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 3fxr h LYS 67 CO 0.01 0.50 0.06 0.45 -2.00 0.00 0.00 179.45 178.47 3fxr h HIS 68 N 0.78 0.40 -0.35 0.07 3.86 -1.77 -1.96 115.15 116.19 3fxr h HIS 68 Ca 0.24 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 3fxr h HIS 68 Cb -0.01 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3fxr h HIS 68 CO -0.05 0.48 0.08 0.00 0.86 0.00 0.00 177.93 179.30 3fxr h ALA 69 N 0.87 0.37 -0.74 2.45 0.00 -0.78 -1.70 119.26 119.74 3fxr h ALA 69 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3fxr h ALA 69 Cb 0.28 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3fxr h ALA 69 CO 0.00 -0.33 0.24 0.00 0.00 0.00 0.00 179.25 179.16 3fxr h ARG 70 N 0.20 1.14 -0.40 0.00 3.08 -0.47 -1.38 114.38 116.55 3fxr h ARG 70 Ca 0.16 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3fxr h ARG 70 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3fxr h ARG 70 CO -0.21 0.97 -0.09 1.25 -1.07 0.00 0.00 179.97 180.82 3fxr h LEU 71 N 1.09 0.78 0.08 3.04 7.12 -1.13 -1.37 115.31 124.93 3fxr h LEU 71 Ca 0.24 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.89 3fxr h LEU 71 Cb 0.30 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 3fxr h LEU 71 CO -0.01 0.96 -0.08 0.40 -0.13 0.00 0.00 178.44 179.58 3fxr h ILE 72 N 0.59 0.81 -0.07 4.05 2.04 -1.17 0.56 117.51 124.32 3fxr h ILE 72 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3fxr h ILE 72 Cb 0.61 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3fxr h ILE 72 CO 0.04 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.80 3fxr h VAL 73 N -0.19 1.15 0.00 1.67 2.07 -1.23 -0.88 116.25 118.84 3fxr h VAL 73 Ca 0.00 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 3fxr h VAL 73 Cb 0.18 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3fxr h VAL 73 CO -0.02 0.13 -0.43 0.71 0.02 0.00 0.00 177.57 177.97 3fxr h THR 74 N -0.05 1.20 -0.19 2.57 1.35 -1.25 -1.59 112.91 114.95 3fxr h THR 74 Ca 0.02 -1.52 -0.21 0.00 -0.55 0.00 0.00 66.41 64.15 3fxr h THR 74 Cb 0.18 1.85 0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3fxr h THR 74 CO -0.00 0.42 -0.71 -0.08 -0.25 0.00 0.00 175.52 174.89 3fxr h GLU 75 N 0.00 0.82 -0.93 4.72 4.57 -0.79 -1.38 114.58 121.59 3fxr h GLU 75 Ca -0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3fxr h GLU 75 Cb 0.81 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.47 3fxr h GLU 75 CO 0.06 1.24 0.59 0.77 -1.18 0.00 0.00 179.01 180.48 3fxr h SER 76 N 0.58 1.09 -0.35 1.04 0.02 -0.89 0.93 113.55 115.98 3fxr h SER 76 Ca -0.03 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 3fxr h SER 76 Cb 1.34 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3fxr h SER 76 CO 0.15 0.81 -0.30 -0.09 -1.14 0.00 0.00 176.83 176.26 3fxr h ARG 77 N 1.27 0.81 -0.46 3.45 2.43 -1.24 -2.67 114.38 117.97 3fxr h ARG 77 Ca 0.34 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3fxr h ARG 77 Cb -0.11 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3fxr h ARG 77 CO -0.07 1.05 0.04 0.00 -1.51 0.00 0.00 179.97 179.48 3fxr h ARG 78 N 0.60 0.73 -0.31 0.20 3.08 -0.91 -1.33 114.38 116.44 3fxr h ARG 78 Ca 0.06 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.96 3fxr h ARG 78 Cb 0.88 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3fxr h ARG 78 CO 0.08 0.72 0.14 0.00 -1.07 0.00 0.00 179.97 179.84 3fxr h ALA 79 N 1.34 0.38 -0.21 0.04 0.00 -0.65 -1.22 119.26 118.93 3fxr h ALA 79 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fxr h ALA 79 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fxr h ALA 79 CO 0.01 -0.24 -0.08 0.37 0.00 0.00 0.00 179.25 179.31 3fxr h GLN 80 N 0.30 0.43 -0.41 0.00 4.15 -1.26 -2.77 115.11 115.56 3fxr h GLN 80 Ca 0.13 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3fxr h GLN 80 Cb 0.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3fxr h GLN 80 CO -0.10 0.70 0.21 0.93 -1.93 0.00 0.00 178.83 178.63 3fxr h GLU 81 N 0.14 0.58 -0.46 1.69 5.08 -1.19 -2.88 114.58 117.55 3fxr h GLU 81 Ca 0.05 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3fxr h GLU 81 Cb 0.55 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 3fxr h GLU 81 CO 0.03 0.50 -0.04 1.49 -1.00 0.00 0.00 179.01 179.99 3fxr h GLU 82 N 0.52 0.07 -0.70 2.33 4.81 -1.23 -1.17 114.58 119.21 3fxr h GLU 82 Ca 0.14 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3fxr h GLU 82 Cb 0.10 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3fxr h GLU 82 CO -0.02 0.05 0.43 0.82 -0.73 0.00 0.00 179.01 179.56 3fxr h ILE 83 N 0.07 1.08 -0.50 2.32 1.08 -1.34 0.29 117.51 120.51 3fxr h ILE 83 Ca 0.23 -0.29 -0.09 0.00 -0.39 0.00 0.00 64.86 64.32 3fxr h ILE 83 Cb 0.34 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 3fxr h ILE 83 CO -0.41 0.15 -0.04 1.23 -0.69 0.00 0.00 178.15 178.40 3fxr h GLY 84 N 0.84 0.93 1.03 5.37 0.00 -1.27 -2.53 103.07 107.44 3fxr h GLY 84 Ca 0.28 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 3fxr h GLY 84 CO -0.12 0.61 0.07 1.46 0.00 0.00 0.00 176.54 178.57 3fxr h GLN 85 N 0.79 0.97 0.00 4.80 4.20 -0.31 0.76 115.11 126.33 3fxr h GLN 85 Ca 0.14 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3fxr h GLN 85 Cb 0.52 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3fxr h GLN 85 CO 0.03 0.94 0.00 -0.07 -0.67 0.00 0.00 178.83 179.06 3fxr h LEU 86 N 0.87 0.00 -2.91 1.46 3.38 -0.20 0.16 115.31 118.06 3fxr h LEU 86 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fxr h LEU 86 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fxr h LEU 86 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 3fxr n ARG 87 N -2.47 3.07 -1.00 1.13 1.74 -0.66 -4.95 116.66 113.52 3fxr n ARG 87 Ca -0.01 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 3fxr n ARG 87 Cb 0.11 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3fxr n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fxr n GLY 88 N 1.21 0.39 3.43 -0.13 0.00 0.57 -4.98 105.19 105.69 3fxr n GLY 88 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 3fxr n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fxr s ARG 89 N -0.43 3.10 -1.20 1.61 6.06 0.17 -4.97 118.95 123.28 3fxr s ARG 89 Ca 0.00 -0.95 -0.12 0.00 -2.50 0.00 0.00 55.73 52.16 3fxr s ARG 89 Cb 0.00 -4.23 0.20 0.00 0.06 0.00 0.00 34.95 30.98 3fxr s ARG 89 CO 0.00 -1.71 1.47 0.91 -2.50 0.00 0.00 175.30 173.48 3fxr n TRP 90 N 7.25 4.49 -4.45 5.12 7.02 -1.26 -2.65 117.44 132.96 3fxr n TRP 90 Ca -0.05 -3.30 -0.22 0.00 -1.02 0.00 0.00 57.50 52.91 3fxr n TRP 90 Cb 0.45 -2.02 -0.10 0.00 -2.42 0.00 0.00 31.31 27.22 3fxr n TRP 90 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3fxr s GLU 91 N 0.64 1.60 0.00 -0.99 0.41 -1.26 -3.82 118.70 115.28 3fxr s GLU 91 Ca 0.40 -1.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 3fxr s GLU 91 Cb -0.01 -1.29 0.00 0.00 -1.78 0.00 0.00 34.13 31.05 3fxr s GLU 91 CO -0.00 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 3fxr n GLY 92 N -0.62 0.50 3.38 -1.39 0.00 -1.26 -4.83 105.19 100.97 3fxr n GLY 92 Ca -0.05 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 3fxr n GLY 92 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fxr s HIS 93 N -0.68 2.33 -0.05 1.61 3.76 -1.26 -0.21 115.29 120.80 3fxr s HIS 93 Ca 0.00 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 54.52 3fxr s HIS 93 Cb 0.00 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.40 3fxr s HIS 93 CO 0.00 0.25 -0.00 0.42 -0.85 0.00 0.00 174.74 174.56 3fxr s ILE 94 N -0.96 0.31 -0.09 0.60 1.01 0.03 -4.87 121.20 117.22 3fxr s ILE 94 Ca 0.13 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.91 3fxr s ILE 94 Cb -0.10 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.95 3fxr s ILE 94 CO 0.05 0.21 -0.21 -0.89 0.00 0.00 0.00 174.94 174.09 3fxr s THR 95 N 1.47 1.86 0.08 2.92 2.01 -1.26 0.11 115.64 122.83 3fxr s THR 95 Ca -0.03 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 3fxr s THR 95 Cb -0.13 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.77 3fxr s THR 95 CO -0.03 0.52 0.26 0.72 -0.69 0.00 0.00 174.62 175.40 3fxr s PHE 96 N 0.39 0.00 0.13 4.92 -0.12 -0.58 -0.04 117.98 122.68 3fxr s PHE 96 Ca -0.18 -0.31 0.07 0.00 -0.05 0.00 0.00 56.93 56.46 3fxr s PHE 96 Cb -0.17 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3fxr s PHE 96 CO 0.08 -0.55 -0.03 0.00 -0.05 0.00 0.00 175.22 174.67 3fxr s ALA 97 N -3.33 3.14 -0.00 1.99 0.00 -0.90 -1.51 121.76 121.15 3fxr s ALA 97 Ca 0.01 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3fxr s ALA 97 Cb 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.13 3fxr s ALA 97 CO -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 175.76 176.26 3fxr s ALA 98 N -1.45 0.17 0.76 0.00 0.00 0.36 -0.06 121.76 121.54 3fxr s ALA 98 Ca 0.25 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 3fxr s ALA 98 Cb -0.10 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.00 3fxr s ALA 98 CO 0.17 0.03 1.09 -1.54 0.00 0.00 0.00 175.76 175.50 3fxr s SER 99 N 0.06 4.63 0.43 0.00 1.04 0.29 -3.15 113.70 117.01 3fxr s SER 99 Ca -0.00 1.76 0.11 0.00 0.48 0.00 0.00 55.95 58.30 3fxr s SER 99 Cb -0.02 -2.50 0.98 0.00 0.10 0.00 0.00 66.02 64.58 3fxr s SER 99 CO -0.00 -1.94 2.04 -0.65 0.98 0.00 0.00 173.24 173.67 3fxr h PRO 100 N -1.07 0.42 -0.05 4.02 0.11 -1.91 -0.78 132.00 132.73 3fxr h PRO 100 Ca -0.44 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 3fxr h PRO 100 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3fxr h PRO 100 CO 0.53 0.28 -0.63 0.00 -0.21 0.00 0.00 178.00 177.96 3fxr h ALA 101 N 1.76 0.84 0.02 -0.75 0.00 -1.95 -2.06 119.26 117.12 3fxr h ALA 101 Ca 0.17 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 3fxr h ALA 101 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fxr h ALA 101 CO -0.04 0.75 -0.67 0.82 0.00 0.00 0.00 179.25 180.11 3fxr h ILE 102 N 0.14 1.43 -0.08 0.00 1.08 -1.85 -3.32 117.51 114.91 3fxr h ILE 102 Ca -0.01 -2.16 -0.04 0.00 -0.39 0.00 0.00 64.86 62.26 3fxr h ILE 102 Cb 1.14 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 3fxr h ILE 102 CO 0.09 0.63 -0.14 0.00 -0.69 0.00 0.00 178.15 178.05 3fxr h ALA 103 N 0.29 1.63 0.00 1.87 0.00 -1.00 -0.84 119.26 121.22 3fxr h ALA 103 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fxr h ALA 103 Cb 1.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fxr h ALA 103 CO 0.13 0.27 -0.93 1.28 0.00 0.00 0.00 179.25 180.00 3fxr n LEU 104 N -4.32 0.65 0.00 0.00 4.77 -0.79 -4.32 117.00 113.00 3fxr n LEU 104 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3fxr n LEU 104 Cb 0.24 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fxr n LEU 104 CO 0.37 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 3fxr n ALA 105 N -1.70 2.38 -0.14 -1.18 0.00 -1.17 -4.90 120.51 113.79 3fxr n ALA 105 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3fxr n ALA 105 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 3fxr n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fxr h ALA 106 N 0.00 0.55 -0.44 0.00 0.00 -1.73 -3.34 119.26 114.30 3fxr h ALA 106 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3fxr h ALA 106 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3fxr h ALA 106 CO 0.00 0.20 0.08 1.25 0.00 0.00 0.00 179.25 180.78 3fxr h LEU 107 N 0.54 -0.01 -1.06 0.00 5.85 -1.37 -1.35 115.31 117.90 3fxr h LEU 107 Ca 0.14 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3fxr h LEU 107 Cb 0.26 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3fxr h LEU 107 CO -0.00 0.03 0.63 -0.65 -0.34 0.00 0.00 178.44 178.10 3fxr h PRO 108 N 0.21 1.06 -0.16 5.25 0.11 -1.75 0.11 132.00 136.83 3fxr h PRO 108 Ca 0.22 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 3fxr h PRO 108 Cb 0.28 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3fxr h PRO 108 CO -0.29 0.70 -0.75 -0.07 -0.21 0.00 0.00 178.00 177.38 3fxr h LEU 109 N 1.10 0.89 -0.31 2.35 3.38 -1.59 -2.97 115.31 118.16 3fxr h LEU 109 Ca 0.43 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3fxr h LEU 109 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3fxr h LEU 109 CO -0.18 1.37 -0.15 0.00 0.09 0.00 0.00 178.44 179.57 3fxr h ALA 110 N 0.62 0.44 -0.69 1.53 0.00 -0.89 -2.06 119.26 118.20 3fxr h ALA 110 Ca -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3fxr h ALA 110 Cb 1.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3fxr h ALA 110 CO 0.15 0.34 0.34 -0.07 0.00 0.00 0.00 179.25 180.01 3fxr h LEU 111 N 0.41 0.90 -0.77 0.00 3.38 -1.05 -0.33 115.31 117.86 3fxr h LEU 111 Ca 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3fxr h LEU 111 Cb 0.68 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3fxr h LEU 111 CO 0.05 0.78 0.11 0.00 0.09 0.00 0.00 178.44 179.46 3fxr h ALA 112 N 1.16 0.98 0.15 1.53 0.00 -1.49 -0.28 119.26 121.31 3fxr h ALA 112 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fxr h ALA 112 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fxr h ALA 112 CO -0.03 0.64 -0.07 0.77 0.00 0.00 0.00 179.25 180.56 3fxr h SER 113 N 0.99 -0.17 -0.39 0.00 0.02 -1.06 -2.54 113.55 110.40 3fxr h SER 113 Ca 0.20 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3fxr h SER 113 Cb 0.41 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3fxr h SER 113 CO 0.01 0.09 0.06 0.15 -1.14 0.00 0.00 176.83 176.01 3fxr h PHE 114 N -0.44 0.10 -0.26 3.45 3.57 -0.95 -2.33 116.94 120.07 3fxr h PHE 114 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3fxr h PHE 114 Cb 0.35 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3fxr h PHE 114 CO 0.01 -0.00 0.03 0.00 -2.23 0.00 0.00 178.31 176.12 3fxr h ALA 115 N 1.30 1.57 -0.07 2.41 0.00 -1.05 0.55 119.26 123.97 3fxr h ALA 115 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fxr h ALA 115 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fxr h ALA 115 CO -0.26 0.32 -0.30 0.00 0.00 0.00 0.00 179.25 179.02 3fxr h ARG 116 N 0.38 0.14 0.03 0.00 3.08 -0.98 -2.21 114.38 114.82 3fxr h ARG 116 Ca 0.09 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.74 3fxr h ARG 116 Cb 0.20 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3fxr h ARG 116 CO 0.00 0.43 -2.10 -1.91 -1.07 0.00 0.00 179.97 175.32 3fxr n GLU 117 N -4.14 0.68 -3.24 0.04 2.13 -0.83 -4.57 120.64 110.71 3fxr n GLU 117 Ca -0.01 0.18 -0.26 0.00 0.66 0.00 0.00 57.16 57.72 3fxr n GLU 117 Cb 0.37 -1.65 -0.06 0.00 0.27 0.00 0.00 31.44 30.37 3fxr n GLU 117 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3fxr n PHE 118 N -3.12 3.32 0.16 4.31 3.72 0.19 -4.96 117.46 121.08 3fxr n PHE 118 Ca -0.30 -4.05 0.17 0.00 -0.05 0.00 0.00 57.45 53.22 3fxr n PHE 118 Cb 1.07 -0.51 0.78 0.00 -0.94 0.00 0.00 39.48 39.87 3fxr n PHE 118 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fxr h PRO 119 N 3.72 0.00 -0.08 -1.08 0.11 -1.61 -2.74 132.00 130.32 3fxr h PRO 119 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3fxr h PRO 119 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3fxr h PRO 119 CO 0.79 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 3fxr n ASP 120 N -3.99 2.89 -4.69 -2.05 8.00 -1.26 -4.91 116.55 110.53 3fxr n ASP 120 Ca 0.03 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 3fxr n ASP 120 Cb 0.37 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3fxr n ASP 120 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fxr s VAL 121 N -1.93 4.84 -0.31 2.53 1.01 -1.04 -4.24 120.40 121.27 3fxr s VAL 121 Ca 0.30 1.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.92 3fxr s VAL 121 Cb 0.20 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3fxr s VAL 121 CO 0.31 0.05 0.87 -0.89 0.00 0.00 0.00 175.10 175.44 3fxr s THR 122 N 1.82 4.71 -0.10 3.92 2.01 0.71 -4.97 115.64 123.74 3fxr s THR 122 Ca 0.45 1.35 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 3fxr s THR 122 Cb -0.18 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 3fxr s THR 122 CO 0.18 -0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.05 3fxr s VAL 123 N 3.16 3.85 -0.19 3.82 1.01 -1.26 -0.79 120.40 130.00 3fxr s VAL 123 Ca 0.36 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3fxr s VAL 123 Cb -0.14 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3fxr s VAL 123 CO 0.13 0.57 -0.19 0.21 0.00 0.00 0.00 175.10 175.82 3fxr s ASN 124 N -0.45 3.26 -0.19 3.32 3.84 0.30 -4.95 114.94 120.07 3fxr s ASN 124 Ca 0.07 -0.69 -0.03 0.00 0.21 0.00 0.00 52.86 52.42 3fxr s ASN 124 Cb -0.12 -1.50 -0.01 0.00 -0.55 0.00 0.00 41.25 39.07 3fxr s ASN 124 CO 0.02 -0.01 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.57 3fxr s VAL 125 N 1.28 3.41 0.10 -5.21 1.01 -1.26 -1.53 120.40 118.20 3fxr s VAL 125 Ca 0.04 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3fxr s VAL 125 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3fxr s VAL 125 CO -0.12 0.46 -0.13 -0.13 0.00 0.00 0.00 175.10 175.17 3fxr s ARG 126 N 1.05 0.92 0.57 2.72 0.52 -0.57 -5.01 118.95 119.16 3fxr s ARG 126 Ca 0.01 -1.13 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 3fxr s ARG 126 Cb -0.15 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.48 3fxr s ARG 126 CO -0.00 0.16 1.09 -0.51 0.02 0.00 0.00 175.30 176.06 3fxr s ASP 127 N -2.23 5.68 -0.29 0.23 1.01 -1.26 -0.49 116.67 119.32 3fxr s ASP 127 Ca 0.05 2.01 -0.29 0.00 0.71 0.00 0.00 52.55 55.02 3fxr s ASP 127 Cb -0.06 -2.56 0.20 0.00 1.01 0.00 0.00 42.92 41.51 3fxr s ASP 127 CO 0.02 -1.24 1.38 -0.83 0.21 0.00 0.00 175.17 174.72 3fxr s GLY 128 N -2.24 0.10 0.03 0.21 0.00 -1.19 -4.63 107.32 99.61 3fxr s GLY 128 Ca 0.68 2.85 -0.02 0.00 0.00 0.00 0.00 44.72 48.24 3fxr s GLY 128 CO 0.32 1.10 0.01 -0.29 0.00 0.00 0.00 173.10 174.23 3fxr s MET 129 N -1.05 0.48 0.09 2.90 1.75 -1.26 -3.79 119.30 118.42 3fxr s MET 129 Ca 0.10 -0.83 -0.23 0.00 -1.25 0.00 0.00 55.69 53.48 3fxr s MET 129 Cb -0.01 0.17 -0.07 0.00 2.84 0.00 0.00 34.83 37.77 3fxr s MET 129 CO -0.08 -0.09 0.69 -0.47 -0.65 0.00 0.00 175.02 174.41 3fxr s TYR 130 N -2.50 3.81 -2.47 4.11 5.04 -1.26 -1.06 117.35 123.02 3fxr s TYR 130 Ca -0.06 1.44 0.25 0.00 -2.44 0.00 0.00 57.07 56.26 3fxr s TYR 130 Cb -0.02 -2.68 0.87 0.00 0.35 0.00 0.00 41.96 40.48 3fxr s TYR 130 CO -0.05 0.46 1.64 -0.35 -1.34 0.00 0.00 175.55 175.91 3fxr n PRO 131 N 2.05 1.77 -0.00 4.97 -0.04 -1.26 -3.78 135.00 138.71 3fxr n PRO 131 Ca -0.06 -1.13 0.16 0.00 -0.04 0.00 0.00 63.50 62.43 3fxr n PRO 131 Cb 0.50 -1.45 0.62 0.00 -0.04 0.00 0.00 33.50 33.12 3fxr n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fxr h ALA 132 N 4.29 2.28 0.00 0.55 0.00 -1.70 -1.76 119.26 122.92 3fxr h ALA 132 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fxr h ALA 132 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fxr h ALA 132 CO 0.00 -0.41 -0.06 -0.39 0.00 0.00 0.00 179.25 178.39 3fxr h VAL 133 N 0.14 0.13 -0.74 0.00 -1.51 -1.46 -3.38 116.25 109.43 3fxr h VAL 133 Ca 0.24 -0.80 0.15 0.00 -1.23 0.00 0.00 66.70 65.06 3fxr h VAL 133 Cb 0.74 1.71 -0.14 0.00 -2.13 0.00 0.00 31.29 31.48 3fxr h VAL 133 CO -0.03 0.06 -0.15 0.28 -1.23 0.00 0.00 177.57 176.50 3fxr h SER 134 N 0.00 -0.62 0.89 4.19 0.02 -1.60 -1.33 113.55 115.10 3fxr h SER 134 Ca -0.00 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3fxr h SER 134 Cb 0.71 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3fxr h SER 134 CO 0.01 -0.23 -0.14 -0.65 -1.14 0.00 0.00 176.83 174.67 3fxr h PRO 135 N 0.02 0.00 0.00 3.45 0.11 -1.81 0.73 132.00 134.49 3fxr h PRO 135 Ca 0.37 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.25 3fxr h PRO 135 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3fxr h PRO 135 CO -0.74 0.14 -1.17 1.96 -0.21 0.00 0.00 178.00 177.97 3fxr h GLN 136 N 0.00 0.00 -0.36 1.05 7.50 -1.57 -2.22 115.11 119.50 3fxr h GLN 136 Ca -0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 3fxr h GLN 136 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 3fxr h GLN 136 CO 0.02 0.88 0.22 -0.07 -1.50 0.00 0.00 178.83 178.37 3fxr h LEU 137 N 0.00 0.44 -1.05 1.46 3.38 -0.88 -1.65 115.31 117.00 3fxr h LEU 137 Ca -0.08 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3fxr h LEU 137 Cb 1.83 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 3fxr h LEU 137 CO 0.12 0.37 -0.07 0.03 0.09 0.00 0.00 178.44 178.98 3fxr h ARG 138 N 0.47 0.59 -0.66 1.13 3.08 -0.79 -2.99 114.38 115.22 3fxr h ARG 138 Ca 0.13 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3fxr h ARG 138 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3fxr h ARG 138 CO -0.02 0.67 0.00 -0.40 -1.07 0.00 0.00 179.97 179.14 3fxr n ASP 139 N -4.22 4.36 0.00 7.04 5.68 -0.84 -4.93 116.55 123.64 3fxr n ASP 139 Ca 0.01 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 3fxr n ASP 139 Cb 0.31 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3fxr n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fxr n GLY 140 N 1.19 1.56 0.15 6.12 0.00 -1.13 -2.67 105.19 110.41 3fxr n GLY 140 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3fxr n GLY 140 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fxr h THR 141 N 0.00 0.00 -3.43 2.61 1.35 -1.70 -3.40 112.91 108.35 3fxr h THR 141 Ca 0.00 -0.36 -0.66 0.00 -0.55 0.00 0.00 66.41 64.84 3fxr h THR 141 Cb 0.00 1.21 -0.33 0.00 -1.73 0.00 0.00 68.15 67.30 3fxr h THR 141 CO 0.00 0.00 -0.87 -0.76 -0.25 0.00 0.00 175.52 173.64 3fxr s LEU 142 N -4.82 2.02 0.16 3.87 1.43 -0.67 -4.84 118.68 115.82 3fxr s LEU 142 Ca 0.05 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3fxr s LEU 142 Cb 0.10 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3fxr s LEU 142 CO 0.47 0.15 1.44 0.44 0.23 0.00 0.00 176.35 179.08 3fxr h ASP 143 N 6.67 0.76 -4.96 2.29 3.32 -0.67 -3.39 116.42 120.44 3fxr h ASP 143 Ca -0.22 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.43 3fxr h ASP 143 Cb 1.23 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.45 3fxr h ASP 143 CO 0.47 1.19 0.28 0.72 -1.72 0.00 0.00 179.24 180.18 3fxr s PHE 144 N -3.96 -0.41 -0.05 4.55 -0.12 -1.24 -4.76 117.98 111.99 3fxr s PHE 144 Ca -0.09 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 56.99 3fxr s PHE 144 Cb 0.10 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 43.09 3fxr s PHE 144 CO 0.87 -0.87 -0.15 0.00 -0.05 0.00 0.00 175.22 175.02 3fxr s ALA 145 N -3.64 1.37 -0.52 1.99 0.00 -0.34 -2.12 121.76 118.50 3fxr s ALA 145 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 3fxr s ALA 145 Cb -0.02 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.73 3fxr s ALA 145 CO -0.07 0.21 0.41 -0.51 0.00 0.00 0.00 175.76 175.80 3fxr s LEU 146 N 0.24 5.82 0.03 0.00 1.43 0.91 -0.00 118.68 127.12 3fxr s LEU 146 Ca -0.07 -2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 50.93 3fxr s LEU 146 Cb -0.12 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3fxr s LEU 146 CO 0.03 -0.68 0.12 0.28 0.23 0.00 0.00 176.35 176.32 3fxr s THR 147 N 1.19 0.12 0.55 5.49 -1.32 -0.39 -0.54 115.64 120.73 3fxr s THR 147 Ca 0.07 -1.01 -0.20 0.00 -1.21 0.00 0.00 61.69 59.35 3fxr s THR 147 Cb -0.25 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 3fxr s THR 147 CO -0.01 -0.55 1.17 0.00 -2.21 0.00 0.00 174.62 173.01 3fxr s ALA 148 N -2.44 2.68 0.22 11.08 0.00 -1.26 0.27 121.76 132.32 3fxr s ALA 148 Ca -0.06 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.59 3fxr s ALA 148 Cb -0.02 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3fxr s ALA 148 CO -0.04 -0.91 0.78 0.00 0.00 0.00 0.00 175.76 175.60 3fxr s ALA 149 N -1.66 -1.40 -0.23 0.00 0.00 -1.09 -4.28 121.76 113.10 3fxr s ALA 149 Ca 0.73 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 3fxr s ALA 149 Cb -0.27 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3fxr s ALA 149 CO 0.31 -1.00 -0.01 -1.01 0.00 0.00 0.00 175.76 174.04 3fxr s HIS 150 N -3.70 2.99 0.21 0.00 3.76 -1.26 -4.36 115.29 112.94 3fxr s HIS 150 Ca 0.10 -0.78 -0.17 0.00 -0.15 0.00 0.00 55.06 54.06 3fxr s HIS 150 Cb -0.04 -2.14 0.21 0.00 1.11 0.00 0.00 32.58 31.72 3fxr s HIS 150 CO 0.03 -0.48 1.58 -0.22 -0.85 0.00 0.00 174.74 174.80 3fxr h LYS 151 N 8.10 -0.08 0.00 1.40 3.64 -1.99 -0.06 116.57 127.58 3fxr h LYS 151 Ca -0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3fxr h LYS 151 Cb 1.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3fxr h LYS 151 CO 0.60 -0.05 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 3fxr n HIS 152 N -5.47 0.00 -2.81 1.91 8.25 -1.26 -3.56 115.22 112.29 3fxr n HIS 152 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 3fxr n HIS 152 Cb 0.38 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.55 3fxr n HIS 152 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3fxr n ASP 153 N -0.66 -0.63 -4.30 0.41 2.03 -0.04 -5.09 116.55 108.27 3fxr n ASP 153 Ca 0.05 -2.98 -0.32 0.00 0.52 0.00 0.00 54.79 52.06 3fxr n ASP 153 Cb 0.02 0.53 -0.16 0.00 -0.72 0.00 0.00 41.12 40.80 3fxr n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fxr s ILE 154 N -1.15 2.43 0.37 5.18 1.01 -1.21 -4.65 121.20 123.17 3fxr s ILE 154 Ca 0.27 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 3fxr s ILE 154 Cb 0.37 -1.94 -0.12 0.00 0.01 0.00 0.00 42.46 40.78 3fxr s ILE 154 CO -0.05 0.56 0.89 0.47 0.00 0.00 0.00 174.94 176.81 3fxr n ASP 155 N 3.19 0.71 0.12 3.58 8.00 -1.26 -4.88 116.55 126.01 3fxr n ASP 155 Ca -0.18 1.06 0.08 0.00 0.71 0.00 0.00 54.79 56.46 3fxr n ASP 155 Cb 0.52 -1.26 0.57 0.00 -0.02 0.00 0.00 41.12 40.93 3fxr n ASP 155 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3fxr h THR 156 N 1.51 1.00 -0.01 -3.53 2.02 -2.02 -1.50 112.91 110.38 3fxr h THR 156 Ca -0.41 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3fxr h THR 156 Cb 1.36 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3fxr h THR 156 CO 0.57 0.04 -0.01 -0.90 0.37 0.00 0.00 175.52 175.59 3fxr n ASP 157 N -4.50 0.72 -4.68 4.18 5.75 -1.26 -4.79 116.55 111.97 3fxr n ASP 157 Ca 0.01 -1.20 -0.35 0.00 -0.01 0.00 0.00 54.79 53.24 3fxr n ASP 157 Cb 0.16 -0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 3fxr n ASP 157 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3fxr s LEU 158 N -2.03 4.04 0.17 -2.12 1.43 -0.57 -0.29 118.68 119.31 3fxr s LEU 158 Ca 0.42 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 3fxr s LEU 158 Cb 0.21 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 3fxr s LEU 158 CO 0.36 0.16 0.91 -0.70 0.23 0.00 0.00 176.35 177.31 3fxr s GLU 159 N 0.46 4.73 -0.15 1.70 2.12 0.12 -4.82 118.70 122.85 3fxr s GLU 159 Ca 0.06 1.39 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 3fxr s GLU 159 Cb -0.12 -3.32 0.05 0.00 0.26 0.00 0.00 34.13 31.00 3fxr s GLU 159 CO -0.00 0.40 0.03 0.00 -0.54 0.00 0.00 175.26 175.15 3fxr s ALA 160 N -0.67 0.81 -0.21 6.30 0.00 -1.26 -1.85 121.76 124.88 3fxr s ALA 160 Ca 0.42 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3fxr s ALA 160 Cb -0.24 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3fxr s ALA 160 CO 0.30 -0.95 -0.09 -1.14 0.00 0.00 0.00 175.76 173.88 3fxr s GLN 161 N 1.94 3.22 0.18 0.00 2.00 0.04 -4.93 119.66 122.12 3fxr s GLN 161 Ca 0.01 -0.71 -0.33 0.00 -2.00 0.00 0.00 55.36 52.33 3fxr s GLN 161 Cb -0.15 -2.87 -0.13 0.00 0.80 0.00 0.00 33.01 30.66 3fxr s GLN 161 CO -0.07 -0.22 1.68 -2.30 -0.50 0.00 0.00 175.29 173.88 3fxr n PRO 162 N 4.73 2.51 -0.07 1.67 -0.02 -1.26 0.18 135.00 142.74 3fxr n PRO 162 Ca -0.19 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 3fxr n PRO 162 Cb 0.50 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 3fxr n PRO 162 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fxr n LEU 163 N 3.91 2.08 -3.63 2.45 7.94 0.89 -4.81 117.00 125.83 3fxr n LEU 163 Ca 0.17 0.05 -0.13 0.00 -1.11 0.00 0.00 56.01 54.98 3fxr n LEU 163 Cb 0.32 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.74 3fxr n LEU 163 CO 0.64 0.54 0.48 -0.47 -1.11 0.00 0.00 177.39 177.47 3fxr s TYR 164 N -2.28 -0.73 -0.43 1.96 5.04 -1.06 -4.94 117.35 114.92 3fxr s TYR 164 Ca -0.20 1.79 -0.16 0.00 -2.44 0.00 0.00 57.07 56.06 3fxr s TYR 164 Cb 0.06 0.29 0.03 0.00 0.35 0.00 0.00 41.96 42.69 3fxr s TYR 164 CO 0.30 -0.35 0.38 0.08 -1.34 0.00 0.00 175.55 174.61 3fxr s VAL 165 N 0.36 5.17 0.73 3.14 1.01 -1.26 0.58 120.40 130.13 3fxr s VAL 165 Ca 0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3fxr s VAL 165 Cb -0.05 -4.02 0.16 0.00 0.00 0.00 0.00 36.38 32.47 3fxr s VAL 165 CO -0.00 -0.41 1.00 -1.54 0.00 0.00 0.00 175.10 174.14 3fxr n SER 166 N 5.39 0.69 -3.85 3.32 3.41 0.63 -4.97 113.62 118.24 3fxr n SER 166 Ca -0.09 -1.74 -0.21 0.00 -0.26 0.00 0.00 58.87 56.56 3fxr n SER 166 Cb 0.47 -0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 63.54 3fxr n SER 166 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fxr s ASP 167 N -4.86 1.24 -0.10 4.04 2.15 -1.26 -3.87 116.67 114.01 3fxr s ASP 167 Ca 0.61 -0.13 -0.14 0.00 0.43 0.00 0.00 52.55 53.33 3fxr s ASP 167 Cb -0.03 -0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 42.07 3fxr s ASP 167 CO 0.42 -0.10 0.33 -0.69 -0.17 0.00 0.00 175.17 174.96 3fxr s VAL 168 N 1.32 5.23 0.26 1.11 1.01 -1.22 -0.39 120.40 127.71 3fxr s VAL 168 Ca -0.05 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.64 3fxr s VAL 168 Cb -0.13 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3fxr s VAL 168 CO -0.02 0.47 -0.05 0.68 0.00 0.00 0.00 175.10 176.18 3fxr s VAL 169 N -0.20 1.46 -0.21 2.92 -7.23 -0.08 -4.85 120.40 112.21 3fxr s VAL 169 Ca 0.20 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 3fxr s VAL 169 Cb -0.14 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3fxr s VAL 169 CO 0.08 -0.33 0.00 -0.63 -0.31 0.00 0.00 175.10 173.91 3fxr s ILE 170 N -3.13 3.87 0.00 -0.62 1.01 -1.26 -1.64 121.20 119.43 3fxr s ILE 170 Ca 0.29 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3fxr s ILE 170 Cb 0.04 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 3fxr s ILE 170 CO 0.11 0.41 -0.23 -0.69 0.00 0.00 0.00 174.94 174.53 3fxr s VAL 171 N 1.22 1.86 0.29 2.92 1.01 0.81 -0.52 120.40 128.00 3fxr s VAL 171 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3fxr s VAL 171 Cb -0.15 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3fxr s VAL 171 CO 0.01 0.45 0.36 -0.83 0.00 0.00 0.00 175.10 175.10 3fxr s GLY 172 N -0.74 1.43 0.62 4.51 0.00 -0.84 -1.45 107.32 110.84 3fxr s GLY 172 Ca 0.09 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 3fxr s GLY 172 CO -0.00 -1.09 1.32 1.62 0.00 0.00 0.00 173.10 174.95 3fxr s GLN 173 N -3.56 2.71 0.35 2.90 -0.44 -1.23 -1.87 119.66 118.52 3fxr s GLN 173 Ca 0.32 2.13 0.04 0.00 -2.50 0.00 0.00 55.36 55.36 3fxr s GLN 173 Cb 0.02 -1.96 0.68 0.00 -1.64 0.00 0.00 33.01 30.11 3fxr s GLN 173 CO 0.17 -1.49 1.96 -0.09 0.50 0.00 0.00 175.29 176.34 3fxr h ARG 174 N 0.81 0.80 -0.78 1.67 2.43 -1.36 -1.07 114.38 116.89 3fxr h ARG 174 Ca -0.51 -0.05 -0.52 0.00 -0.81 0.00 0.00 59.98 58.09 3fxr h ARG 174 Cb 1.33 -0.18 -0.31 0.00 -0.42 0.00 0.00 29.97 30.39 3fxr h ARG 174 CO 0.54 0.53 0.03 1.04 -1.51 0.00 0.00 179.97 180.60 3fxr n GLN 175 N -4.47 2.84 -1.61 0.20 3.00 -1.26 -4.81 117.38 111.27 3fxr n GLN 175 Ca 0.11 -3.59 -0.40 0.00 -0.01 0.00 0.00 57.00 53.10 3fxr n GLN 175 Cb 0.19 -2.19 0.02 0.00 0.00 0.00 0.00 30.24 28.27 3fxr n GLN 175 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3fxr n HIS 176 N -0.90 1.00 -0.35 1.08 -0.00 -0.41 -4.89 115.22 110.76 3fxr n HIS 176 Ca 0.50 0.51 0.13 0.00 0.46 0.00 0.00 57.72 59.32 3fxr n HIS 176 Cb 0.91 -2.19 0.33 0.00 -0.12 0.00 0.00 29.99 28.91 3fxr n HIS 176 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fxr h PRO 177 N 1.20 0.74 -0.59 1.57 0.11 -1.96 -1.70 132.00 131.37 3fxr h PRO 177 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fxr h PRO 177 Cb 1.35 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fxr h PRO 177 CO 0.55 0.49 0.00 -1.33 -0.21 0.00 0.00 178.00 177.50 3fxr n MET 178 N -4.74 2.76 -0.27 1.05 2.81 -1.26 -4.60 117.12 112.86 3fxr n MET 178 Ca 0.23 -1.98 0.31 0.00 -1.81 0.00 0.00 57.70 54.45 3fxr n MET 178 Cb 0.57 -1.63 0.71 0.00 -0.71 0.00 0.00 33.22 32.16 3fxr n MET 178 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fxr h ALA 179 N 3.74 2.91 -0.53 3.04 0.00 -1.65 0.10 119.26 126.87 3fxr h ALA 179 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fxr h ALA 179 Cb 1.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3fxr h ALA 179 CO 0.13 -1.22 0.00 0.09 0.00 0.00 0.00 179.25 178.25 3fxr n ASN 180 N -4.27 3.44 -4.74 0.00 3.02 -1.26 -4.31 115.26 107.14 3fxr n ASN 180 Ca 0.23 -2.01 -0.39 0.00 -0.03 0.00 0.00 54.58 52.37 3fxr n ASN 180 Cb 1.09 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.93 3fxr n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fxr n ALA 181 N 1.04 1.64 0.04 5.41 0.00 0.35 -4.87 120.51 124.13 3fxr n ALA 181 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3fxr n ALA 181 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3fxr n ALA 181 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fxr n THR 182 N -0.64 0.00 -4.54 0.00 -2.24 -1.26 -3.68 114.28 101.92 3fxr n THR 182 Ca 0.08 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 3fxr n THR 182 Cb 0.43 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 3fxr n THR 182 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fxr s ARG 183 N -0.46 1.00 0.27 -0.78 1.81 -1.26 0.08 118.95 119.61 3fxr s ARG 183 Ca 0.01 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 3fxr s ARG 183 Cb 0.01 -0.96 0.46 0.00 -0.45 0.00 0.00 34.95 34.01 3fxr s ARG 183 CO 0.02 0.26 1.86 1.25 -0.68 0.00 0.00 175.30 178.01 3fxr h LEU 184 N 5.87 0.99 -1.84 2.53 5.85 -1.96 -1.64 115.31 125.11 3fxr h LEU 184 Ca -0.33 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.56 3fxr h LEU 184 Cb 1.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3fxr h LEU 184 CO 0.49 0.60 0.42 0.00 -0.34 0.00 0.00 178.44 179.61 3fxr h ALA 185 N 1.49 2.35 0.00 1.25 0.00 -1.96 0.83 119.26 123.23 3fxr h ALA 185 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3fxr h ALA 185 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fxr h ALA 185 CO -0.21 -0.52 0.00 0.93 0.00 0.00 0.00 179.25 179.45 3fxr h GLU 186 N 0.16 0.00 -0.41 0.00 5.08 -1.72 -2.78 114.58 114.91 3fxr h GLU 186 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3fxr h GLU 186 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3fxr h GLU 186 CO -0.04 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.25 3fxr n LEU 187 N -2.70 3.26 -0.34 1.33 4.77 0.29 -4.59 117.00 119.02 3fxr n LEU 187 Ca 0.00 -1.44 0.18 0.00 -0.03 0.00 0.00 56.01 54.72 3fxr n LEU 187 Cb 0.22 -0.27 0.40 0.00 -2.33 0.00 0.00 43.42 41.45 3fxr n LEU 187 CO 0.22 0.72 1.18 -0.61 -1.33 0.00 0.00 177.39 177.57 3fxr h GLN 188 N 4.10 0.56 -0.00 3.23 4.15 -1.53 -1.28 115.11 124.33 3fxr h GLN 188 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3fxr h GLN 188 Cb 0.91 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3fxr h GLN 188 CO 0.00 0.37 -0.35 0.39 -1.93 0.00 0.00 178.83 177.31 3fxr n GLU 189 N -4.81 0.45 -2.25 1.69 -0.58 -1.26 -4.62 120.64 109.26 3fxr n GLU 189 Ca 0.26 -0.25 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 3fxr n GLU 189 Cb 0.74 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3fxr n GLU 189 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fxr s ARG 191 N -3.30 4.31 0.09 0.00 1.81 -1.26 -3.67 118.95 116.93 3fxr s ARG 191 Ca 0.73 0.79 0.08 0.00 -1.72 0.00 0.00 55.73 55.61 3fxr s ARG 191 Cb -0.24 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 3fxr s ARG 191 CO 0.27 0.47 -0.18 -1.58 -0.68 0.00 0.00 175.30 173.60 3fxr s TRP 192 N -0.56 2.55 -0.46 -0.53 0.52 0.17 -1.80 118.94 118.83 3fxr s TRP 192 Ca 0.31 -0.25 -0.18 0.00 0.02 0.00 0.00 56.10 56.00 3fxr s TRP 192 Cb -0.19 -1.39 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 3fxr s TRP 192 CO 0.19 0.35 0.50 0.00 0.02 0.00 0.00 176.95 178.00 3fxr s ALA 193 N -1.08 3.44 -0.26 0.98 0.00 0.28 0.89 121.76 126.01 3fxr s ALA 193 Ca 0.17 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 3fxr s ALA 193 Cb -0.11 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3fxr s ALA 193 CO 0.09 -1.77 1.60 -0.06 0.00 0.00 0.00 175.76 175.61 3fxr s PHE 194 N 2.22 2.14 0.30 0.00 0.40 0.16 -4.57 117.98 118.62 3fxr s PHE 194 Ca 0.12 0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 3fxr s PHE 194 Cb -0.19 -4.03 -0.04 0.00 0.51 0.00 0.00 43.02 39.27 3fxr s PHE 194 CO 0.12 -2.75 0.51 -1.54 0.70 0.00 0.00 175.22 172.27 3fxr s SER 195 N 4.36 6.36 0.53 1.36 1.04 -1.26 -0.75 113.70 125.34 3fxr s SER 195 Ca 0.70 0.52 -0.20 0.00 0.48 0.00 0.00 55.95 57.45 3fxr s SER 195 Cb -0.23 -2.06 -0.06 0.00 0.10 0.00 0.00 66.02 63.77 3fxr s SER 195 CO 0.30 -0.21 1.16 -0.44 0.98 0.00 0.00 173.24 175.02 3fxr s SER 196 N -3.57 5.74 -0.03 7.02 0.01 -1.26 -0.79 113.70 120.82 3fxr s SER 196 Ca 0.41 2.25 -0.29 0.00 1.31 0.00 0.00 55.95 59.63 3fxr s SER 196 Cb -0.10 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.63 3fxr s SER 196 CO 0.33 -1.21 0.82 0.00 0.41 0.00 0.00 173.24 173.58 3fxr s ALA 197 N -1.68 -1.80 0.25 1.44 0.00 -1.24 -4.87 121.76 113.86 3fxr s ALA 197 Ca 0.71 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.81 3fxr s ALA 197 Cb -0.26 0.07 0.52 0.00 0.00 0.00 0.00 23.12 23.44 3fxr s ALA 197 CO 0.30 -0.51 1.67 -1.35 0.00 0.00 0.00 175.76 175.87 3fxr h PRO 198 N 2.41 0.24 -0.29 0.00 0.11 -1.88 -1.46 132.00 131.14 3fxr h PRO 198 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fxr h PRO 198 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fxr h PRO 198 CO 0.34 0.16 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 3fxr n ARG 199 N -5.18 1.38 0.00 1.05 1.74 -1.26 -4.44 116.66 109.94 3fxr n ARG 199 Ca 0.16 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3fxr n ARG 199 Cb 0.51 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3fxr n ARG 199 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fxr n GLY 200 N 0.59 2.40 3.71 -0.13 0.00 -0.55 -4.76 105.19 106.45 3fxr n GLY 200 Ca 0.04 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3fxr n GLY 200 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fxr s PRO 201 N -2.11 4.23 -0.50 1.61 0.02 -1.26 -1.82 135.00 135.17 3fxr s PRO 201 Ca 0.00 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3fxr s PRO 201 Cb 0.00 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3fxr s PRO 201 CO 0.00 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3fxr n GLY 202 N 3.78 0.67 0.30 0.52 0.00 0.03 -4.87 105.19 105.61 3fxr n GLY 202 Ca 0.14 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3fxr n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxr h ALA 203 N 0.00 2.11 0.20 4.61 0.00 -1.59 -1.18 119.26 123.42 3fxr h ALA 203 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fxr h ALA 203 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fxr h ALA 203 CO 0.14 -0.16 -0.10 0.82 0.00 0.00 0.00 179.25 179.96 3fxr h ILE 204 N 0.05 0.89 -0.15 0.00 2.04 -1.90 -0.02 117.51 118.41 3fxr h ILE 204 Ca 0.08 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 3fxr h ILE 204 Cb 0.27 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3fxr h ILE 204 CO -0.01 0.15 -0.54 -0.29 0.00 0.00 0.00 178.15 177.47 3fxr h ILE 205 N -0.63 1.33 0.32 -0.67 6.09 -1.92 -0.75 117.51 121.29 3fxr h ILE 205 Ca -0.03 -1.80 -0.01 0.00 -1.37 0.00 0.00 64.86 61.65 3fxr h ILE 205 Cb 0.46 1.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 3fxr h ILE 205 CO 0.05 0.55 -0.18 0.03 -3.07 0.00 0.00 178.15 175.53 3fxr h ARG 206 N 0.35 -0.45 0.00 2.19 3.08 -1.25 -0.66 114.38 117.63 3fxr h ARG 206 Ca 0.01 0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3fxr h ARG 206 Cb 1.05 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3fxr h ARG 206 CO 0.10 -0.30 -0.39 -0.91 -1.07 0.00 0.00 179.97 177.40 3fxr h ASN 207 N -0.47 0.00 -0.14 7.04 2.35 -0.93 -2.12 115.58 121.31 3fxr h ASN 207 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3fxr h ASN 207 Cb 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3fxr h ASN 207 CO 0.05 0.39 -0.04 0.00 -1.65 0.00 0.00 177.43 176.18 3fxr h ALA 208 N 1.61 0.19 -0.99 -0.83 0.00 -1.01 -2.41 119.26 115.83 3fxr h ALA 208 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3fxr h ALA 208 Cb 0.75 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3fxr h ALA 208 CO 0.05 -0.05 0.64 0.74 0.00 0.00 0.00 179.25 180.63 3fxr h PHE 209 N -0.04 1.26 0.59 0.00 0.05 -1.02 -1.67 116.94 116.11 3fxr h PHE 209 Ca 0.04 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 3fxr h PHE 209 Cb 0.46 -0.42 0.01 0.00 2.00 0.00 0.00 35.95 38.00 3fxr h PHE 209 CO 0.05 0.80 -0.28 0.00 -0.18 0.00 0.00 178.31 178.70 3fxr h ALA 210 N 1.36 -0.80 -0.25 2.45 0.00 -1.38 0.14 119.26 120.78 3fxr h ALA 210 Ca 0.36 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3fxr h ALA 210 Cb -0.13 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fxr h ALA 210 CO -0.08 -0.90 0.17 0.07 0.00 0.00 0.00 179.25 178.51 3fxr h ARG 211 N -0.89 0.15 -0.41 0.00 0.11 -1.20 -0.97 114.38 111.17 3fxr h ARG 211 Ca -0.08 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3fxr h ARG 211 Cb 0.64 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3fxr h ARG 211 CO 0.13 0.10 0.00 0.66 0.10 0.00 0.00 179.97 180.96 3fxr n TYR 212 N -4.49 0.52 -0.79 4.08 4.01 -0.65 -4.90 117.16 114.94 3fxr n TYR 212 Ca 0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3fxr n TYR 212 Cb 0.22 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3fxr n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fxr n GLY 213 N 0.89 0.63 3.92 2.72 0.00 -0.37 -4.98 105.19 108.01 3fxr n GLY 213 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3fxr n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxr s LEU 214 N 0.00 3.35 1.04 0.99 1.43 0.45 -5.00 118.68 120.94 3fxr s LEU 214 Ca 0.00 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 3fxr s LEU 214 Cb 0.00 -3.51 0.22 0.00 0.03 0.00 0.00 46.19 42.92 3fxr s LEU 214 CO 0.00 -0.95 1.18 -2.16 0.23 0.00 0.00 176.35 174.65 3fxr s PRO 215 N -4.89 0.05 0.21 1.29 0.04 -1.26 -4.26 135.00 126.18 3fxr s PRO 215 Ca 0.52 -0.03 -0.32 0.00 0.04 0.00 0.00 61.00 61.21 3fxr s PRO 215 Cb -0.10 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 3fxr s PRO 215 CO 0.44 -2.87 1.31 0.39 0.04 0.00 0.00 177.00 176.30 3fxr n GLU 216 N -4.17 1.69 -1.75 4.56 -0.58 -1.26 -4.75 120.64 114.37 3fxr n GLU 216 Ca 0.11 0.60 -0.35 0.00 -0.42 0.00 0.00 57.16 57.11 3fxr n GLU 216 Cb 0.59 -2.19 0.06 0.00 -0.57 0.00 0.00 31.44 29.33 3fxr n GLU 216 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3fxr s PRO 217 N -0.42 2.63 -0.18 3.49 0.04 -1.26 -4.96 135.00 134.34 3fxr s PRO 217 Ca 0.70 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 63.21 3fxr s PRO 217 Cb -0.73 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3fxr s PRO 217 CO 0.51 -1.45 0.86 0.15 0.04 0.00 0.00 177.00 177.11 3fxr s LYS 218 N -3.67 4.28 -0.09 4.56 1.02 -1.24 -4.99 119.74 119.62 3fxr s LYS 218 Ca 0.75 1.06 -0.30 0.00 0.02 0.00 0.00 55.97 57.50 3fxr s LYS 218 Cb -0.28 -3.59 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3fxr s LYS 218 CO 0.39 -0.38 1.17 -1.17 -0.92 0.00 0.00 175.35 174.44 3fxr s LEU 219 N 2.34 4.25 -0.26 3.17 2.96 -1.26 0.46 118.68 130.34 3fxr s LEU 219 Ca 0.39 1.74 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 3fxr s LEU 219 Cb -0.16 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3fxr s LEU 219 CO 0.11 -0.59 -0.31 0.61 -1.32 0.00 0.00 176.35 174.85 3fxr n GLY 220 N 3.35 -0.50 3.58 7.98 0.00 0.26 -4.67 105.19 115.19 3fxr n GLY 220 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3fxr n GLY 220 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3fxr s LEU 221 N -7.60 -0.42 -0.23 0.99 0.05 -0.76 -4.97 118.68 105.73 3fxr s LEU 221 Ca -0.36 -0.21 -0.10 0.00 0.05 0.00 0.00 54.13 53.51 3fxr s LEU 221 Cb 0.13 2.52 -0.05 0.00 -2.05 0.00 0.00 46.19 46.74 3fxr s LEU 221 CO 0.49 -1.02 0.14 -0.69 -0.55 0.00 0.00 176.35 174.71 3fxr s VAL 222 N -3.67 5.17 -0.38 1.48 1.01 -1.26 0.38 120.40 123.13 3fxr s VAL 222 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3fxr s VAL 222 Cb -0.02 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.07 3fxr s VAL 222 CO -0.06 0.36 0.16 0.00 0.00 0.00 0.00 175.10 175.57 3fxr h GLU 224 N 7.38 0.00 -6.63 0.00 5.08 -1.96 -3.36 114.58 115.10 3fxr h GLU 224 Ca -0.07 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.74 3fxr h GLU 224 Cb 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 3fxr h GLU 224 CO 0.49 0.33 0.94 0.45 -1.00 0.00 0.00 179.01 180.22 3fxr s SER 225 N -6.32 6.54 0.43 1.42 0.15 -1.26 -4.68 113.70 109.97 3fxr s SER 225 Ca 0.02 0.27 0.18 0.00 0.70 0.00 0.00 55.95 57.12 3fxr s SER 225 Cb 0.09 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.82 3fxr s SER 225 CO 0.69 -1.36 1.92 -0.26 1.20 0.00 0.00 173.24 175.42 3fxr h PHE 226 N 9.39 0.00 -0.76 3.44 0.04 -2.01 -1.28 116.94 125.76 3fxr h PHE 226 Ca -0.24 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.59 3fxr h PHE 226 Cb 1.06 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.15 3fxr h PHE 226 CO 1.00 0.26 0.44 1.25 -0.60 0.00 0.00 178.31 180.67 3fxr h LEU 227 N 0.00 0.67 -0.23 1.54 5.85 -1.99 -3.10 115.31 118.05 3fxr h LEU 227 Ca -0.00 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 3fxr h LEU 227 Cb 0.52 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3fxr h LEU 227 CO 0.03 0.43 -0.76 0.00 -0.34 0.00 0.00 178.44 177.80 3fxr h ALA 228 N 1.38 0.60 -0.13 1.25 0.00 -1.67 -3.40 119.26 117.29 3fxr h ALA 228 Ca 0.34 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3fxr h ALA 228 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3fxr h ALA 228 CO -0.19 0.95 -0.19 1.25 0.00 0.00 0.00 179.25 181.07 3fxr h LEU 229 N 0.00 -0.60 -0.47 0.00 5.85 -1.28 -2.51 115.31 116.29 3fxr h LEU 229 Ca -0.01 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3fxr h LEU 229 Cb 1.48 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 3fxr h LEU 229 CO 0.10 -0.25 0.24 -0.65 -0.34 0.00 0.00 178.44 177.54 3fxr h PRO 230 N -0.25 0.46 -0.86 5.25 0.11 -1.78 -2.18 132.00 132.75 3fxr h PRO 230 Ca 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3fxr h PRO 230 Cb 0.39 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 3fxr h PRO 230 CO -0.27 0.31 0.47 0.78 -0.21 0.00 0.00 178.00 179.08 3fxr h GLY 231 N 0.48 1.29 0.99 -0.55 0.00 -1.81 0.54 103.07 104.01 3fxr h GLY 231 Ca 0.21 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3fxr h GLY 231 CO -0.14 0.56 0.28 -2.08 0.00 0.00 0.00 176.54 175.15 3fxr h VAL 232 N 1.21 1.10 -0.58 4.60 2.07 -1.12 -1.33 116.25 122.20 3fxr h VAL 232 Ca 0.30 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 3fxr h VAL 232 Cb 0.03 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3fxr h VAL 232 CO -0.05 0.10 -0.02 0.58 0.02 0.00 0.00 177.57 178.21 3fxr h VAL 233 N 0.56 1.26 -0.58 2.57 2.07 -1.17 -3.03 116.25 117.94 3fxr h VAL 233 Ca 0.16 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3fxr h VAL 233 Cb -0.06 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3fxr h VAL 233 CO -0.04 0.42 0.28 0.00 0.02 0.00 0.00 177.57 178.25 3fxr h ALA 234 N 1.03 1.40 -0.75 1.67 0.00 -0.23 -3.07 119.26 119.32 3fxr h ALA 234 Ca 0.16 -0.12 -0.44 0.00 0.00 0.00 0.00 54.91 54.52 3fxr h ALA 234 Cb 0.56 -0.24 -0.25 0.00 0.00 0.00 0.00 17.79 17.87 3fxr h ALA 234 CO 0.03 0.47 0.31 0.72 0.00 0.00 0.00 179.25 180.78 3fxr n HIS 235 N -4.36 2.39 -3.62 0.00 8.25 -0.56 -4.76 115.22 112.55 3fxr n HIS 235 Ca 0.05 -2.04 -0.05 0.00 -0.26 0.00 0.00 57.72 55.43 3fxr n HIS 235 Cb 0.13 -0.84 0.02 0.00 1.12 0.00 0.00 29.99 30.42 3fxr n HIS 235 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fxr n SER 236 N -1.06 -1.46 -1.39 0.41 3.41 -1.16 -5.03 113.62 107.35 3fxr n SER 236 Ca 0.50 -1.94 0.08 0.00 -0.26 0.00 0.00 58.87 57.25 3fxr n SER 236 Cb 1.19 2.42 0.33 0.00 -0.26 0.00 0.00 64.21 67.89 3fxr n SER 236 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxr n ASP 237 N -1.27 4.78 -4.73 4.04 9.92 -1.26 -4.36 116.55 123.67 3fxr n ASP 237 Ca -0.05 -2.94 -0.41 0.00 -0.53 0.00 0.00 54.79 50.86 3fxr n ASP 237 Cb 0.41 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 40.25 3fxr n ASP 237 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3fxr s LEU 238 N -2.73 4.43 0.24 0.64 1.43 -1.26 -4.69 118.68 116.74 3fxr s LEU 238 Ca 0.48 2.22 -0.03 0.00 -1.03 0.00 0.00 54.13 55.77 3fxr s LEU 238 Cb 0.37 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 3fxr s LEU 238 CO 0.13 -0.41 0.47 -0.76 0.23 0.00 0.00 176.35 176.01 3fxr s LEU 239 N 0.04 4.14 0.11 1.79 1.43 -0.75 -4.51 118.68 120.95 3fxr s LEU 239 Ca 0.55 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 3fxr s LEU 239 Cb -0.33 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 3fxr s LEU 239 CO 0.35 -0.12 0.20 0.28 0.23 0.00 0.00 176.35 177.29 3fxr s THR 240 N -1.97 0.12 0.12 5.49 -1.32 -0.53 -0.56 115.64 116.99 3fxr s THR 240 Ca 0.41 -1.34 -0.03 0.00 -1.21 0.00 0.00 61.69 59.52 3fxr s THR 240 Cb -0.11 -1.57 -0.05 0.00 -1.51 0.00 0.00 72.50 69.26 3fxr s THR 240 CO 0.29 -0.54 0.33 0.42 -2.21 0.00 0.00 174.62 172.91 3fxr s THR 241 N -3.91 5.23 0.02 5.08 -4.23 -1.26 -0.13 115.64 116.44 3fxr s THR 241 Ca 0.11 -0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.24 3fxr s THR 241 Cb 0.05 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.34 3fxr s THR 241 CO -0.06 0.07 0.71 0.00 -0.54 0.00 0.00 174.62 174.79 3fxr s MET 242 N -2.62 1.07 0.21 3.99 0.23 -0.65 -4.76 119.30 116.77 3fxr s MET 242 Ca 0.39 -0.09 -0.32 0.00 -1.03 0.00 0.00 55.69 54.64 3fxr s MET 242 Cb -0.12 0.50 -0.14 0.00 -1.53 0.00 0.00 34.83 33.54 3fxr s MET 242 CO 0.26 -0.40 1.43 -2.30 -2.03 0.00 0.00 175.02 171.97 3fxr n PRO 243 N 0.28 1.97 -0.29 3.16 -0.02 -1.26 -0.90 135.00 137.94 3fxr n PRO 243 Ca -0.16 0.70 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3fxr n PRO 243 Cb 0.61 -2.37 0.26 0.00 -0.02 0.00 0.00 33.50 31.97 3fxr n PRO 243 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fxr h ARG 244 N 4.54 0.44 -0.98 -0.52 2.43 -1.05 -0.91 114.38 118.33 3fxr h ARG 244 Ca -0.45 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3fxr h ARG 244 Cb 1.28 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 3fxr h ARG 244 CO 0.78 0.29 0.62 1.15 -1.51 0.00 0.00 179.97 181.30 3fxr h THR 245 N 0.45 0.94 -0.22 0.20 2.02 -1.91 0.14 112.91 114.54 3fxr h THR 245 Ca 0.51 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 3fxr h THR 245 Cb 0.88 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3fxr h THR 245 CO -0.47 0.18 -0.20 0.25 0.37 0.00 0.00 175.52 175.64 3fxr h LEU 246 N 0.97 0.56 -0.50 2.58 5.85 -1.50 -0.94 115.31 122.33 3fxr h LEU 246 Ca 0.47 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3fxr h LEU 246 Cb 0.46 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3fxr h LEU 246 CO -0.24 0.91 0.12 0.22 -0.34 0.00 0.00 178.44 179.11 3fxr h TYR 247 N 0.21 0.20 0.00 1.25 3.20 -0.48 -1.43 116.97 119.92 3fxr h TYR 247 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3fxr h TYR 247 Cb 0.75 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.00 3fxr h TYR 247 CO 0.08 0.02 0.00 0.93 -1.64 0.00 0.00 178.16 177.54 3fxr h GLU 248 N 0.27 0.00 -2.57 1.82 5.08 -0.74 -3.39 114.58 115.04 3fxr h GLU 248 Ca 0.25 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.01 3fxr h GLU 248 Cb 0.32 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.17 3fxr h GLU 248 CO -0.31 0.00 -0.80 0.54 -1.00 0.00 0.00 179.01 177.44 3fxr n ARG 249 N -3.06 1.12 -4.09 2.33 1.74 -0.36 -5.04 116.66 109.30 3fxr n ARG 249 Ca 0.01 -3.84 -0.13 0.00 -0.77 0.00 0.00 57.85 53.12 3fxr n ARG 249 Cb 0.35 -1.91 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 3fxr n ARG 249 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fxr s ASN 250 N -0.93 0.61 0.00 0.55 2.20 -1.22 -4.76 114.94 111.38 3fxr s ASN 250 Ca 0.31 -1.35 0.28 0.00 -0.94 0.00 0.00 52.86 51.15 3fxr s ASN 250 Cb 0.04 0.61 0.98 0.00 -2.00 0.00 0.00 41.25 40.87 3fxr s ASN 250 CO -0.16 -1.20 1.73 0.00 -2.94 0.00 0.00 177.10 174.53 3fxr n ALA 251 N -0.49 2.86 -1.11 3.54 0.00 -1.26 -3.69 120.51 120.36 3fxr n ALA 251 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.30 3fxr n ALA 251 Cb 0.62 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.95 3fxr n ALA 251 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fxr n PHE 252 N -1.38 0.46 -0.31 0.00 3.72 -1.26 -4.73 117.46 113.96 3fxr n PHE 252 Ca 0.08 -1.03 0.17 0.00 -0.05 0.00 0.00 57.45 56.61 3fxr n PHE 252 Cb 0.32 -0.25 0.42 0.00 -0.94 0.00 0.00 39.48 39.03 3fxr n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3fxr h LYS 253 N 0.85 0.57 0.00 -1.08 1.63 -1.88 0.10 116.57 116.75 3fxr h LYS 253 Ca 0.02 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3fxr h LYS 253 Cb 1.23 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3fxr h LYS 253 CO 0.12 0.38 -0.15 -0.44 -3.45 0.00 0.00 179.45 175.91 3fxr h ASP 254 N 0.58 0.00 -0.39 4.20 3.32 -1.91 -3.04 116.42 119.18 3fxr h ASP 254 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3fxr h ASP 254 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3fxr h ASP 254 CO -0.29 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3fxr n GLN 255 N -3.86 2.52 -4.60 3.56 6.02 0.32 -4.92 117.38 116.42 3fxr n GLN 255 Ca -0.02 -2.09 -0.27 0.00 -0.01 0.00 0.00 57.00 54.61 3fxr n GLN 255 Cb 0.24 -1.35 -0.11 0.00 1.02 0.00 0.00 30.24 30.05 3fxr n GLN 255 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fxr s LEU 256 N -1.04 2.76 0.17 1.08 1.43 -1.00 -1.13 118.68 120.95 3fxr s LEU 256 Ca 0.29 -1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 3fxr s LEU 256 Cb 0.15 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.58 3fxr s LEU 256 CO 0.21 -0.49 0.45 0.00 0.23 0.00 0.00 176.35 176.75 3fxr s SER 258 N -2.87 4.37 -0.06 0.00 1.04 -1.26 -1.99 113.70 112.93 3fxr s SER 258 Ca 0.08 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 3fxr s SER 258 Cb 0.00 -1.27 -0.05 0.00 0.10 0.00 0.00 66.02 64.80 3fxr s SER 258 CO -0.05 0.29 1.59 -0.63 0.98 0.00 0.00 173.24 175.41 3fxr s ILE 259 N -0.36 3.67 -0.75 -1.02 -1.09 0.33 -4.86 121.20 117.11 3fxr s ILE 259 Ca 0.05 0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 59.24 3fxr s ILE 259 Cb -0.12 -3.54 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 3fxr s ILE 259 CO 0.02 -0.07 2.32 -0.81 -1.23 0.00 0.00 174.94 175.17 3fxr n PRO 260 N 6.93 2.06 -2.50 2.79 -0.04 -1.24 -4.75 135.00 138.26 3fxr n PRO 260 Ca 0.17 -1.32 -0.41 0.00 -0.04 0.00 0.00 63.50 61.90 3fxr n PRO 260 Cb 0.43 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 3fxr n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3fxr s LEU 261 N 0.08 4.50 0.00 1.53 2.96 -1.26 -4.50 118.68 121.99 3fxr s LEU 261 Ca 0.44 2.14 0.21 0.00 -0.22 0.00 0.00 54.13 56.70 3fxr s LEU 261 Cb 0.14 -3.61 0.30 0.00 0.50 0.00 0.00 46.19 43.52 3fxr s LEU 261 CO -0.03 -0.22 1.28 0.00 -1.32 0.00 0.00 176.35 176.07 3fxr n GLN 262 N 2.15 2.25 -3.13 1.98 6.02 0.11 -4.87 117.38 121.89 3fxr n GLN 262 Ca 0.02 -2.04 -0.39 0.00 -0.01 0.00 0.00 57.00 54.58 3fxr n GLN 262 Cb 0.46 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 3fxr n GLN 262 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fxr s ASP 263 N -1.56 7.18 0.36 1.08 1.01 -1.24 -5.05 116.67 118.45 3fxr s ASP 263 Ca 0.32 1.40 -0.22 0.00 0.71 0.00 0.00 52.55 54.76 3fxr s ASP 263 Cb 0.20 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.61 3fxr s ASP 263 CO 0.28 0.19 0.90 0.00 0.21 0.00 0.00 175.17 176.75 3fxr s ALA 264 N -0.83 3.16 0.33 5.23 0.00 -1.26 -4.97 121.76 123.43 3fxr s ALA 264 Ca 0.33 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.74 3fxr s ALA 264 Cb -0.21 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3fxr s ALA 264 CO 0.22 0.19 0.06 -0.51 0.00 0.00 0.00 175.76 175.72 3fxr s LEU 265 N -2.70 3.11 0.93 0.00 1.43 -1.26 -5.12 118.68 115.06 3fxr s LEU 265 Ca 0.56 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3fxr s LEU 265 Cb -0.13 -1.53 0.15 0.00 0.03 0.00 0.00 46.19 44.72 3fxr s LEU 265 CO 0.18 -0.24 1.12 -2.84 0.23 0.00 0.00 176.35 174.79 3fxr s PRO 266 N -3.76 0.90 -0.65 1.29 0.02 -1.26 -4.89 135.00 126.65 3fxr s PRO 266 Ca 0.36 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.80 3fxr s PRO 266 Cb -0.02 -1.73 0.17 0.00 0.02 0.00 0.00 34.50 32.95 3fxr s PRO 266 CO 0.21 -2.65 0.48 0.09 -0.33 0.00 0.00 177.00 174.80 3fxr n ASN 267 N -4.23 2.47 -4.66 2.53 4.13 -1.26 -3.40 115.26 110.84 3fxr n ASN 267 Ca 0.10 -3.08 -0.46 0.00 1.68 0.00 0.00 54.58 52.81 3fxr n ASN 267 Cb 0.53 -0.72 -0.04 0.00 -1.54 0.00 0.00 39.78 38.00 3fxr n ASN 267 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3fxr n PRO 268 N 2.04 1.98 -2.69 3.52 -0.02 -1.25 -4.42 135.00 134.17 3fxr n PRO 268 Ca 0.22 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3fxr n PRO 268 Cb 0.38 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 3fxr n PRO 268 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fxr s THR 269 N 0.62 4.78 -0.02 3.45 2.01 -1.26 -0.27 115.64 124.94 3fxr s THR 269 Ca 0.77 2.04 -0.23 0.00 0.31 0.00 0.00 61.69 64.58 3fxr s THR 269 Cb -0.71 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.44 3fxr s THR 269 CO 0.42 -0.01 0.69 -0.63 -0.69 0.00 0.00 174.62 174.40 3fxr s ILE 270 N 2.10 4.93 0.16 1.82 -1.09 0.20 -2.68 121.20 126.63 3fxr s ILE 270 Ca 0.48 1.43 0.11 0.00 -2.23 0.00 0.00 60.65 60.44 3fxr s ILE 270 Cb -0.18 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 3fxr s ILE 270 CO 0.17 0.33 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.68 3fxr s TYR 271 N 0.31 2.39 -0.36 3.97 2.02 0.14 -0.08 117.35 125.74 3fxr s TYR 271 Ca 0.36 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.50 3fxr s TYR 271 Cb -0.19 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3fxr s TYR 271 CO 0.19 0.44 0.78 0.08 -1.57 0.00 0.00 175.55 175.47 3fxr s VAL 272 N -1.44 4.75 -0.11 0.71 1.01 0.13 -1.27 120.40 124.18 3fxr s VAL 272 Ca 0.19 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 3fxr s VAL 272 Cb -0.09 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3fxr s VAL 272 CO 0.10 -0.41 -0.07 -0.76 0.00 0.00 0.00 175.10 173.96 3fxr s LEU 273 N 3.07 3.13 -0.01 3.92 1.43 1.00 -0.78 118.68 130.43 3fxr s LEU 273 Ca 0.31 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3fxr s LEU 273 Cb -0.13 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3fxr s LEU 273 CO 0.16 0.26 0.16 -0.13 0.23 0.00 0.00 176.35 177.03 3fxr s ARG 274 N -0.19 0.46 -0.10 1.70 0.52 -0.77 -1.20 118.95 119.37 3fxr s ARG 274 Ca 0.02 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 3fxr s ARG 274 Cb -0.13 0.20 -0.06 0.00 0.52 0.00 0.00 34.95 35.48 3fxr s ARG 274 CO 0.03 -0.11 1.84 0.50 0.02 0.00 0.00 175.30 177.58 3fxr s ARG 275 N -1.18 3.87 0.26 3.54 3.52 -1.26 0.11 118.95 127.81 3fxr s ARG 275 Ca -0.13 2.15 -0.03 0.00 -0.13 0.00 0.00 55.73 57.59 3fxr s ARG 275 Cb -0.07 -4.12 0.33 0.00 -1.56 0.00 0.00 34.95 29.53 3fxr s ARG 275 CO 0.02 -1.23 1.81 1.25 -0.81 0.00 0.00 175.30 176.33 3fxr h HIS 276 N 11.19 0.96 0.00 5.12 -0.00 -0.97 -2.65 115.15 128.80 3fxr h HIS 276 Ca -0.41 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 3fxr h HIS 276 Cb 1.20 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.33 3fxr h HIS 276 CO 0.92 0.78 0.00 -0.40 -0.00 0.00 0.00 177.93 179.23 3fxr n ASP 277 N -4.27 0.00 -4.62 3.26 5.75 -1.26 -4.73 116.55 110.68 3fxr n ASP 277 Ca 0.05 -1.54 -0.39 0.00 -0.01 0.00 0.00 54.79 52.90 3fxr n ASP 277 Cb 0.22 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.22 3fxr n ASP 277 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3fxr s LEU 278 N -1.46 4.07 0.09 -2.12 1.43 -1.00 -5.05 118.68 114.64 3fxr s LEU 278 Ca 0.22 0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 53.35 3fxr s LEU 278 Cb 0.10 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 3fxr s LEU 278 CO 0.17 -0.16 1.45 -2.16 0.23 0.00 0.00 176.35 175.89 3fxr s PRO 279 N 1.88 4.28 -0.00 1.29 0.04 -1.26 -4.95 135.00 136.27 3fxr s PRO 279 Ca 0.16 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 3fxr s PRO 279 Cb -0.15 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 3fxr s PRO 279 CO 0.09 -0.53 1.17 0.54 0.04 0.00 0.00 177.00 178.31 3fxr s VAL 280 N 1.59 4.26 0.52 -0.36 0.11 -1.26 -5.01 120.40 120.25 3fxr s VAL 280 Ca 0.67 1.61 -0.22 0.00 -2.93 0.00 0.00 61.98 61.10 3fxr s VAL 280 Cb -0.37 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.39 3fxr s VAL 280 CO 0.30 0.07 1.29 0.42 -3.33 0.00 0.00 175.10 173.85 3fxr s THR 281 N 1.56 2.43 0.42 5.04 -4.23 -1.26 -4.82 115.64 114.78 3fxr s THR 281 Ca 0.56 0.32 0.16 0.00 -1.18 0.00 0.00 61.69 61.56 3fxr s THR 281 Cb -0.26 -3.16 0.37 0.00 1.34 0.00 0.00 72.50 70.79 3fxr s THR 281 CO 0.26 -0.01 1.88 -0.65 -0.54 0.00 0.00 174.62 175.56 3fxr h PRO 282 N 1.63 0.41 -0.22 3.99 0.11 -1.95 -0.78 132.00 135.19 3fxr h PRO 282 Ca -0.50 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3fxr h PRO 282 Cb 1.28 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3fxr h PRO 282 CO 0.58 0.27 -0.09 0.00 -0.21 0.00 0.00 178.00 178.55 3fxr h ALA 283 N 1.62 0.31 -0.65 -0.75 0.00 -1.96 -1.10 119.26 116.74 3fxr h ALA 283 Ca 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fxr h ALA 283 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3fxr h ALA 283 CO -0.15 0.14 0.28 0.00 0.00 0.00 0.00 179.25 179.52 3fxr h ALA 284 N 0.73 0.84 -0.56 0.00 0.00 -1.74 -1.69 119.26 116.83 3fxr h ALA 284 Ca 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3fxr h ALA 284 Cb 0.57 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3fxr h ALA 284 CO 0.03 0.43 0.25 0.00 0.00 0.00 0.00 179.25 179.96 3fxr h ALA 285 N 1.12 0.72 -0.98 0.00 0.00 -1.12 -1.24 119.26 117.75 3fxr h ALA 285 Ca 0.22 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.28 3fxr h ALA 285 Cb 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3fxr h ALA 285 CO -0.02 -0.13 0.63 0.78 0.00 0.00 0.00 179.25 180.51 3fxr h GLY 286 N 0.47 1.54 1.25 0.00 0.00 -0.35 -1.31 103.07 104.67 3fxr h GLY 286 Ca 0.26 -0.43 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 3fxr h GLY 286 CO -0.22 0.21 -1.08 -2.00 0.00 0.00 0.00 176.54 173.46 3fxr h LEU 287 N 1.02 0.87 -0.77 3.11 5.85 -0.54 -2.85 115.31 122.00 3fxr h LEU 287 Ca 0.47 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3fxr h LEU 287 Cb 0.40 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3fxr h LEU 287 CO -0.22 1.52 0.37 0.40 -0.34 0.00 0.00 178.44 180.17 3fxr h ILE 288 N 0.36 1.24 -0.57 4.05 2.04 -0.97 -0.52 117.51 123.15 3fxr h ILE 288 Ca -0.14 -0.68 0.11 0.00 1.00 0.00 0.00 64.86 65.15 3fxr h ILE 288 Cb 1.73 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 37.98 3fxr h ILE 288 CO 0.21 0.29 -0.28 -0.09 0.00 0.00 0.00 178.15 178.28 3fxr h ARG 289 N 1.08 -0.13 -0.40 2.37 2.43 -1.26 0.71 114.38 119.18 3fxr h ARG 289 Ca 0.26 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3fxr h ARG 289 Cb 0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3fxr h ARG 289 CO -0.03 -0.09 -0.14 -1.49 -1.51 0.00 0.00 179.97 176.71 3fxr h TRP 290 N -0.13 0.92 -0.55 2.20 4.06 -1.07 -1.43 115.95 119.95 3fxr h TRP 290 Ca 0.24 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3fxr h TRP 290 Cb 0.53 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 3fxr h TRP 290 CO -0.58 0.95 0.35 0.82 -3.56 0.00 0.00 178.44 176.42 3fxr h ILE 291 N 0.62 1.16 -0.38 1.49 2.04 -0.85 -1.76 117.51 119.82 3fxr h ILE 291 Ca 0.10 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3fxr h ILE 291 Cb 0.68 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3fxr h ILE 291 CO 0.05 0.16 0.01 1.56 0.00 0.00 0.00 178.15 179.93 3fxr h GLN 292 N 0.75 0.12 0.19 2.37 1.08 -0.69 0.10 115.11 119.03 3fxr h GLN 292 Ca 0.20 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3fxr h GLN 292 Cb -0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3fxr h GLN 292 CO -0.04 0.08 -0.15 1.25 -0.95 0.00 0.00 178.83 179.01 3fxr h HIS 293 N 0.12 -0.40 0.00 2.96 2.76 -0.84 -2.36 115.15 117.39 3fxr h HIS 293 Ca 0.19 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3fxr h HIS 293 Cb 0.25 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 3fxr h HIS 293 CO -0.25 -0.24 -0.32 0.45 -1.30 0.00 0.00 177.93 176.28 3fxr h HIS 294 N -0.36 0.00 0.00 5.26 3.86 -1.24 -1.71 115.15 120.96 3fxr h HIS 294 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fxr h HIS 294 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3fxr h HIS 294 CO -0.12 0.32 0.00 0.00 0.86 0.00 0.00 177.93 178.99 3fxr n ALA 295 N -2.33 1.54 -1.00 2.45 0.00 0.35 -4.71 120.51 116.82 3fxr n ALA 295 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3fxr n ALA 295 Cb 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3fxr n ALA 295 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78