#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fcw s LEU 1 N 0.00 3.49 0.42 0.99 2.96 -1.26 -2.06 118.68 123.22 3fcw s LEU 1 Ca 0.00 0.58 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 3fcw s LEU 1 Cb 0.00 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 3fcw s LEU 1 CO 0.00 -1.61 0.36 -1.10 -1.32 0.00 0.00 176.35 172.67 3fcw s GLN 2 N 5.32 2.47 -0.03 1.98 -0.21 -0.38 -4.90 119.66 123.92 3fcw s GLN 2 Ca 0.58 -1.61 0.06 0.00 0.02 0.00 0.00 55.36 54.42 3fcw s GLN 2 Cb -0.13 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 3fcw s GLN 2 CO 0.29 -0.21 -0.22 1.03 -2.12 0.00 0.00 175.29 174.05 3fcw s ARG 3 N -4.12 1.89 0.09 2.91 0.52 -1.26 -2.09 118.95 116.90 3fcw s ARG 3 Ca 0.47 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3fcw s ARG 3 Cb -0.02 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3fcw s ARG 3 CO 0.27 0.43 -0.09 -0.08 0.02 0.00 0.00 175.30 175.86 3fcw s THR 4 N -0.40 0.81 -0.20 0.02 -1.32 -0.48 -4.73 115.64 109.35 3fcw s THR 4 Ca 0.05 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 58.75 3fcw s THR 4 Cb -0.10 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 3fcw s THR 4 CO 0.00 -0.65 0.10 -0.22 -2.21 0.00 0.00 174.62 171.64 3fcw s LEU 5 N -2.57 4.05 0.01 9.08 2.96 -1.26 -1.33 118.68 129.61 3fcw s LEU 5 Ca 0.06 0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3fcw s LEU 5 Cb -0.01 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3fcw s LEU 5 CO -0.02 0.17 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.26 3fcw s VAL 6 N 0.41 2.29 -0.12 1.68 1.01 0.70 -1.90 120.40 124.48 3fcw s VAL 6 Ca 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3fcw s VAL 6 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3fcw s VAL 6 CO -0.01 0.48 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 3fcw s LEU 7 N -0.95 2.34 -0.35 3.92 1.43 -0.30 -0.61 118.68 124.16 3fcw s LEU 7 Ca 0.11 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 3fcw s LEU 7 Cb -0.10 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.63 3fcw s LEU 7 CO 0.01 0.15 0.79 -0.63 0.23 0.00 0.00 176.35 176.90 3fcw s ILE 8 N 0.42 4.74 0.61 -0.59 -1.09 0.79 -0.90 121.20 125.18 3fcw s ILE 8 Ca -0.14 0.96 -0.12 0.00 -2.23 0.00 0.00 60.65 59.11 3fcw s ILE 8 Cb -0.17 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 3fcw s ILE 8 CO 0.06 -0.40 1.03 -0.54 -1.23 0.00 0.00 174.94 173.86 3fcw s LYS 9 N 3.09 3.61 0.54 2.79 1.02 0.30 -2.67 119.74 128.41 3fcw s LYS 9 Ca 0.32 0.81 0.24 0.00 0.02 0.00 0.00 55.97 57.36 3fcw s LYS 9 Cb -0.13 -2.08 1.40 0.00 -0.52 0.00 0.00 37.83 36.50 3fcw s LYS 9 CO 0.16 -0.56 2.02 -1.35 -0.92 0.00 0.00 175.35 174.70 3fcw h PRO 10 N -0.13 0.00 -0.19 -1.68 0.11 -1.84 -0.75 132.00 127.52 3fcw h PRO 10 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3fcw h PRO 10 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3fcw h PRO 10 CO 0.61 0.00 -0.06 0.38 -0.21 0.00 0.00 178.00 178.72 3fcw h ASP 11 N 0.00 0.27 -0.83 -2.05 2.03 -1.90 -1.69 116.42 112.25 3fcw h ASP 11 Ca 0.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3fcw h ASP 11 Cb 0.85 -0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 39.24 3fcw h ASP 11 CO -0.00 0.37 0.51 0.00 -1.03 0.00 0.00 179.24 179.09 3fcw h ALA 12 N 1.66 1.32 -0.33 4.15 0.00 -1.38 -0.33 119.26 124.36 3fcw h ALA 12 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3fcw h ALA 12 Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fcw h ALA 12 CO 0.01 0.59 -0.25 0.74 0.00 0.00 0.00 179.25 180.34 3fcw h PHE 13 N 1.15 0.89 -0.48 0.00 -1.00 -1.43 0.38 116.94 116.46 3fcw h PHE 13 Ca 0.30 -0.25 -0.12 0.00 2.81 0.00 0.00 57.97 60.72 3fcw h PHE 13 Cb -0.06 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.29 3fcw h PHE 13 CO 0.00 1.00 -0.16 1.49 -1.61 0.00 0.00 178.31 179.03 3fcw h GLU 14 N 0.53 0.93 -0.51 1.51 4.22 -0.97 -2.39 114.58 117.90 3fcw h GLU 14 Ca 0.06 -0.36 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3fcw h GLU 14 Cb 0.81 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3fcw h GLU 14 CO 0.07 1.02 0.00 0.54 -2.18 0.00 0.00 179.01 178.45 3fcw n ARG 15 N -4.13 2.29 -3.98 1.92 1.74 -0.17 -4.94 116.66 109.40 3fcw n ARG 15 Ca 0.01 -1.66 -0.31 0.00 -0.77 0.00 0.00 57.85 55.11 3fcw n ARG 15 Cb 0.42 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 3fcw n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fcw n SER 16 N 0.73 -4.35 -1.44 0.55 7.64 -0.72 -4.89 113.62 111.14 3fcw n SER 16 Ca 0.15 -0.84 0.08 0.00 1.01 0.00 0.00 58.87 59.28 3fcw n SER 16 Cb 0.46 -3.62 0.34 0.00 -1.01 0.00 0.00 64.21 60.38 3fcw n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fcw n LEU 17 N -4.61 4.81 0.02 -3.43 4.77 0.13 -4.71 117.00 113.98 3fcw n LEU 17 Ca 0.04 -2.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.06 3fcw n LEU 17 Cb 0.52 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3fcw n LEU 17 CO 0.78 0.68 0.66 0.58 -1.33 0.00 0.00 177.39 178.76 3fcw h VAL 18 N 3.17 1.20 -0.32 4.08 2.07 -1.90 -2.44 116.25 122.11 3fcw h VAL 18 Ca 0.00 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3fcw h VAL 18 Cb 1.65 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3fcw h VAL 18 CO 0.33 0.21 -0.09 0.00 0.02 0.00 0.00 177.57 178.04 3fcw h ALA 19 N 0.48 1.26 -0.69 1.67 0.00 -1.94 -2.22 119.26 117.81 3fcw h ALA 19 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3fcw h ALA 19 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fcw h ALA 19 CO 0.01 0.49 0.23 1.49 0.00 0.00 0.00 179.25 181.47 3fcw h GLU 20 N 0.49 1.06 -0.00 0.00 4.57 -1.86 0.13 114.58 118.97 3fcw h GLU 20 Ca 0.09 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3fcw h GLU 20 Cb 0.46 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3fcw h GLU 20 CO 0.02 0.90 -0.17 0.82 -1.18 0.00 0.00 179.01 179.41 3fcw h ILE 21 N 1.02 1.58 -0.17 2.32 2.04 -1.23 -3.04 117.51 120.03 3fcw h ILE 21 Ca 0.23 -1.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 3fcw h ILE 21 Cb 0.27 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3fcw h ILE 21 CO -0.01 0.52 -0.02 0.24 0.00 0.00 0.00 178.15 178.88 3fcw h MET 22 N -0.60 0.25 -0.29 2.37 2.86 -1.32 -2.57 114.93 115.63 3fcw h MET 22 Ca -0.02 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 3fcw h MET 22 Cb 0.94 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3fcw h MET 22 CO 0.03 0.29 -0.26 0.78 1.06 0.00 0.00 176.91 178.81 3fcw h GLY 23 N 0.54 0.62 1.19 8.32 0.00 -0.75 -0.28 103.07 112.71 3fcw h GLY 23 Ca 0.06 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3fcw h GLY 23 CO 0.01 0.48 0.04 3.21 0.00 0.00 0.00 176.54 180.27 3fcw h ARG 24 N 0.50 0.98 -0.20 4.80 3.08 -1.34 0.20 114.38 122.39 3fcw h ARG 24 Ca 0.07 -0.27 -0.20 0.00 0.07 0.00 0.00 59.98 59.65 3fcw h ARG 24 Cb 0.71 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.66 3fcw h ARG 24 CO 0.05 0.94 -0.63 0.82 -1.07 0.00 0.00 179.97 180.08 3fcw h ILE 25 N 0.91 1.29 -0.43 2.04 2.04 -1.41 -2.91 117.51 119.03 3fcw h ILE 25 Ca 0.17 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.20 3fcw h ILE 25 Cb 0.47 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3fcw h ILE 25 CO 0.02 0.59 0.28 -0.08 0.00 0.00 0.00 178.15 178.95 3fcw h GLU 26 N 0.53 0.58 0.00 2.37 4.81 -0.81 -2.52 114.58 119.55 3fcw h GLU 26 Ca -0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3fcw h GLU 26 Cb 1.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3fcw h GLU 26 CO 0.14 0.40 -0.10 0.87 -0.73 0.00 0.00 179.01 179.59 3fcw h LYS 27 N 0.58 0.00 -0.11 1.92 1.57 -0.60 0.45 116.57 120.39 3fcw h LYS 27 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3fcw h LYS 27 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3fcw h LYS 27 CO -0.03 0.10 0.00 1.17 -0.57 0.00 0.00 179.45 180.11 3fcw n LYS 28 N -3.69 1.33 -1.00 3.15 4.81 -0.96 -4.90 118.16 116.90 3fcw n LYS 28 Ca -0.02 -0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 56.92 3fcw n LYS 28 Cb 0.21 -1.21 -0.00 0.00 0.02 0.00 0.00 35.03 34.05 3fcw n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fcw n ASN 29 N -0.18 -3.02 -4.76 3.14 4.05 0.15 -5.04 115.26 109.60 3fcw n ASN 29 Ca 0.09 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.73 3fcw n ASN 29 Cb 0.15 -0.53 -0.06 0.00 1.23 0.00 0.00 39.78 40.57 3fcw n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fcw s PHE 30 N -1.99 3.84 -0.01 1.20 0.40 -1.17 -4.93 117.98 115.31 3fcw s PHE 30 Ca 0.00 1.85 -0.00 0.00 -0.60 0.00 0.00 56.93 58.18 3fcw s PHE 30 Cb 0.00 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 3fcw s PHE 30 CO 0.00 0.20 0.05 0.15 0.70 0.00 0.00 175.22 176.32 3fcw s LYS 31 N -1.44 2.98 0.05 0.44 -0.14 -0.64 -4.41 119.74 116.58 3fcw s LYS 31 Ca 0.44 -0.51 -0.31 0.00 -1.36 0.00 0.00 55.97 54.23 3fcw s LYS 31 Cb -0.26 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 3fcw s LYS 31 CO 0.32 0.65 1.19 0.42 -0.76 0.00 0.00 175.35 177.16 3fcw s ILE 32 N -1.14 4.09 -0.00 2.17 1.01 -1.26 -0.86 121.20 125.21 3fcw s ILE 32 Ca 0.21 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.36 3fcw s ILE 32 Cb -0.12 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 3fcw s ILE 32 CO 0.12 0.11 0.00 0.52 0.00 0.00 0.00 174.94 175.69 3fcw n VAL 33 N 3.97 0.01 -3.85 2.92 0.31 0.23 -4.93 118.33 117.00 3fcw n VAL 33 Ca 0.09 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 3fcw n VAL 33 Cb 0.47 -0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.60 3fcw n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fcw s SER 34 N -2.83 -0.02 -0.28 4.52 0.01 -1.13 -4.96 113.70 109.00 3fcw s SER 34 Ca -0.00 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.93 3fcw s SER 34 Cb 0.00 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.54 3fcw s SER 34 CO 0.01 -0.40 0.69 -0.32 0.41 0.00 0.00 173.24 173.64 3fcw s MET 35 N -1.43 0.73 0.01 12.44 0.00 -1.26 -0.79 119.30 129.00 3fcw s MET 35 Ca -0.14 1.19 0.05 0.00 0.00 0.00 0.00 55.69 56.79 3fcw s MET 35 Cb -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 34.83 34.93 3fcw s MET 35 CO 0.02 -0.14 -0.15 0.15 0.00 0.00 0.00 175.02 174.90 3fcw s LYS 36 N 1.43 1.07 -0.15 4.11 1.02 -0.47 -5.00 119.74 121.75 3fcw s LYS 36 Ca -0.08 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 3fcw s LYS 36 Cb -0.05 -1.06 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 3fcw s LYS 36 CO -0.17 0.28 0.02 0.12 -0.92 0.00 0.00 175.35 174.68 3fcw s PHE 37 N -0.58 3.17 -0.19 3.18 5.36 -1.26 -1.37 117.98 126.28 3fcw s PHE 37 Ca 0.04 0.00 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 3fcw s PHE 37 Cb -0.07 -1.96 0.04 0.00 -0.34 0.00 0.00 43.02 40.69 3fcw s PHE 37 CO 0.00 0.20 -0.14 -1.58 -1.46 0.00 0.00 175.22 172.25 3fcw s TRP 38 N -0.02 2.58 0.29 10.12 0.52 0.86 -4.99 118.94 128.29 3fcw s TRP 38 Ca 0.04 -1.64 0.00 0.00 0.02 0.00 0.00 56.10 54.52 3fcw s TRP 38 Cb -0.13 -1.74 0.44 0.00 -1.15 0.00 0.00 33.47 30.89 3fcw s TRP 38 CO 0.02 -0.77 1.82 0.66 0.02 0.00 0.00 176.95 178.70 3fcw h SER 39 N 7.95 0.68 -2.39 2.95 4.64 -1.90 0.39 113.55 125.88 3fcw h SER 39 Ca -0.33 -0.14 -0.31 0.00 -0.47 0.00 0.00 61.79 60.54 3fcw h SER 39 Cb 1.11 -0.18 -0.35 0.00 -0.31 0.00 0.00 62.40 62.67 3fcw h SER 39 CO 0.53 0.72 -0.62 -0.75 -0.87 0.00 0.00 176.83 175.84 3fcw s LYS 40 N -5.06 0.24 0.29 4.77 2.20 -1.26 -2.75 119.74 118.16 3fcw s LYS 40 Ca -0.09 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.36 3fcw s LYS 40 Cb 0.15 -1.01 -0.11 0.00 -1.51 0.00 0.00 37.83 35.35 3fcw s LYS 40 CO 0.79 -0.75 1.53 0.00 -0.36 0.00 0.00 175.35 176.56 3fcw s ALA 41 N 2.35 3.68 0.05 3.13 0.00 -1.26 -4.90 121.76 124.80 3fcw s ALA 41 Ca 0.08 1.49 -0.36 0.00 0.00 0.00 0.00 51.96 53.17 3fcw s ALA 41 Cb -0.15 -3.61 -0.16 0.00 0.00 0.00 0.00 23.12 19.20 3fcw s ALA 41 CO -0.18 -0.91 1.48 -2.30 0.00 0.00 0.00 175.76 173.85 3fcw n PRO 42 N 1.94 1.45 -0.10 0.00 -0.02 -1.26 -4.84 135.00 132.17 3fcw n PRO 42 Ca 0.06 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3fcw n PRO 42 Cb 0.39 -2.22 0.59 0.00 -0.02 0.00 0.00 33.50 32.23 3fcw n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fcw h ARG 43 N 5.51 0.23 0.34 -0.52 2.43 -1.97 -2.01 114.38 118.39 3fcw h ARG 43 Ca -0.47 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3fcw h ARG 43 Cb 1.31 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3fcw h ARG 43 CO 0.84 0.15 -0.50 -0.97 -1.51 0.00 0.00 179.97 177.98 3fcw h ASN 44 N 0.24 -1.44 -0.96 -3.80 -0.00 -1.99 -0.33 115.58 107.30 3fcw h ASN 44 Ca 0.33 0.13 0.20 0.00 -0.00 0.00 0.00 56.30 56.96 3fcw h ASN 44 Cb 0.96 0.50 -0.11 0.00 -0.00 0.00 0.00 38.32 39.66 3fcw h ASN 44 CO -0.07 -0.61 0.54 -0.07 -0.00 0.00 0.00 177.43 177.22 3fcw h LEU 45 N -0.89 0.63 -0.77 0.34 4.07 -1.74 0.24 115.31 117.19 3fcw h LEU 45 Ca -0.03 0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 3fcw h LEU 45 Cb 0.82 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3fcw h LEU 45 CO -0.16 0.17 -0.05 0.40 -1.08 0.00 0.00 178.44 177.73 3fcw h ILE 46 N 0.63 1.26 -0.35 1.22 1.08 -1.31 -1.13 117.51 118.91 3fcw h ILE 46 Ca 0.57 -1.12 -0.10 0.00 -0.39 0.00 0.00 64.86 63.82 3fcw h ILE 46 Cb 0.97 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 3fcw h ILE 46 CO -0.43 0.40 -0.15 -0.33 -0.69 0.00 0.00 178.15 176.94 3fcw h GLU 47 N 0.81 0.73 0.53 2.37 5.08 0.76 -1.80 114.58 123.06 3fcw h GLU 47 Ca 0.14 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3fcw h GLU 47 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3fcw h GLU 47 CO 0.03 0.91 -0.42 1.96 -1.00 0.00 0.00 179.01 180.50 3fcw h GLN 48 N 0.51 -0.89 -0.97 2.33 4.20 -1.06 -1.71 115.11 117.52 3fcw h GLN 48 Ca 0.08 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.07 3fcw h GLN 48 Cb 0.69 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.49 3fcw h GLN 48 CO 0.05 -0.59 -0.14 1.25 -0.67 0.00 0.00 178.83 178.73 3fcw h HIS 49 N -0.92 -0.33 -0.70 2.96 2.76 -1.08 0.31 115.15 118.15 3fcw h HIS 49 Ca -0.07 0.08 -0.25 0.00 -2.20 0.00 0.00 60.37 57.93 3fcw h HIS 49 Cb 0.77 0.30 -0.15 0.00 1.55 0.00 0.00 27.41 29.88 3fcw h HIS 49 CO -0.16 -0.42 0.28 0.66 -1.30 0.00 0.00 177.93 176.99 3fcw n TYR 50 N -5.56 2.27 -0.26 5.26 4.02 -0.69 -4.72 117.16 117.48 3fcw n TYR 50 Ca 0.18 -1.34 0.07 0.00 -0.01 0.00 0.00 57.90 56.80 3fcw n TYR 50 Cb 0.59 -0.68 0.20 0.00 -0.02 0.00 0.00 39.34 39.43 3fcw n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fcw h LYS 51 N 2.08 0.29 0.00 -0.72 2.10 0.60 0.22 116.57 121.14 3fcw h LYS 51 Ca 0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 3fcw h LYS 51 Cb 2.28 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.54 3fcw h LYS 51 CO 0.72 0.19 0.41 0.93 -2.00 0.00 0.00 179.45 179.70 3fcw h GLU 52 N 0.30 0.00 -0.41 0.07 3.07 -1.84 0.19 114.58 115.96 3fcw h GLU 52 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3fcw h GLU 52 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3fcw h GLU 52 CO -0.51 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 177.82 3fcw n HIS 53 N -2.45 0.54 0.05 4.33 8.25 0.76 -4.64 115.22 122.07 3fcw n HIS 53 Ca -0.01 -0.40 0.03 0.00 -0.26 0.00 0.00 57.72 57.08 3fcw n HIS 53 Cb 0.44 -0.01 0.18 0.00 1.12 0.00 0.00 29.99 31.72 3fcw n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fcw n SER 54 N 0.97 0.17 -0.06 0.41 3.41 0.68 -1.53 113.62 117.66 3fcw n SER 54 Ca 0.15 0.56 -0.07 0.00 -0.26 0.00 0.00 58.87 59.25 3fcw n SER 54 Cb 0.49 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 3fcw n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fcw n GLU 55 N -1.71 1.77 -1.20 4.33 4.71 -1.26 -4.98 120.64 122.30 3fcw n GLU 55 Ca -0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 3fcw n GLU 55 Cb 0.04 -1.32 0.06 0.00 -1.01 0.00 0.00 31.44 29.21 3fcw n GLU 55 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3fcw n GLN 56 N -2.52 0.17 0.07 3.49 1.13 -0.58 -4.86 117.38 114.27 3fcw n GLN 56 Ca -0.21 0.09 0.02 0.00 -1.94 0.00 0.00 57.00 54.95 3fcw n GLN 56 Cb 0.89 -1.56 0.38 0.00 0.11 0.00 0.00 30.24 30.06 3fcw n GLN 56 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3fcw h SER 57 N -0.45 0.34 1.40 1.08 4.64 -1.96 -2.87 113.55 115.72 3fcw h SER 57 Ca -0.44 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fcw h SER 57 Cb 1.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3fcw h SER 57 CO 0.39 0.42 0.00 0.10 -0.87 0.00 0.00 176.83 176.87 3fcw h TYR 58 N 0.35 0.00 -0.86 4.77 -0.00 -1.90 -3.40 116.97 115.94 3fcw h TYR 58 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 58.73 59.02 3fcw h TYR 58 Cb 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 36.85 3fcw h TYR 58 CO 0.01 0.00 -0.02 0.35 -0.00 0.00 0.00 178.16 178.50 3fcw h PHE 59 N 0.00 -0.10 -0.31 0.10 3.04 -1.71 0.37 116.94 118.32 3fcw h PHE 59 Ca 0.00 0.06 -0.15 0.00 3.98 0.00 0.00 57.97 61.87 3fcw h PHE 59 Cb 0.70 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.39 3fcw h PHE 59 CO 0.00 -0.32 -0.39 -0.91 -2.02 0.00 0.00 178.31 174.67 3fcw h ASN 60 N 0.06 0.87 -0.43 0.41 2.35 -1.84 -1.83 115.58 115.18 3fcw h ASN 60 Ca 0.48 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3fcw h ASN 60 Cb 0.89 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3fcw h ASN 60 CO -0.79 1.19 -0.02 0.44 -1.65 0.00 0.00 177.43 176.60 3fcw h ASP 61 N 0.57 0.76 0.27 5.81 3.32 -1.40 -1.38 116.42 124.37 3fcw h ASP 61 Ca 0.04 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3fcw h ASP 61 Cb 0.98 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3fcw h ASP 61 CO 0.09 0.90 -0.23 0.25 -1.72 0.00 0.00 179.24 178.53 3fcw h LEU 62 N 0.60 -0.62 -0.65 1.55 5.85 -1.00 -0.88 115.31 120.17 3fcw h LEU 62 Ca 0.12 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.00 3fcw h LEU 62 Cb 0.52 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3fcw h LEU 62 CO 0.03 -0.35 0.25 0.00 -0.34 0.00 0.00 178.44 178.02 3fcw h ASP 64 N 0.42 0.22 -0.45 0.00 3.32 -1.02 -2.70 116.42 116.22 3fcw h ASP 64 Ca 0.33 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3fcw h ASP 64 Cb 0.44 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3fcw h ASP 64 CO -0.33 0.17 0.28 0.15 -1.72 0.00 0.00 179.24 177.79 3fcw h PHE 65 N 0.33 0.57 0.00 4.55 3.04 -0.10 -1.71 116.94 123.62 3fcw h PHE 65 Ca 0.15 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3fcw h PHE 65 Cb 0.07 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.39 3fcw h PHE 65 CO -0.11 0.38 0.00 0.52 -2.02 0.00 0.00 178.31 177.08 3fcw h MET 66 N 0.60 0.00 -0.01 1.11 2.86 -0.71 -1.53 114.93 117.25 3fcw h MET 66 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3fcw h MET 66 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3fcw h MET 66 CO -0.03 0.00 -0.03 0.28 1.06 0.00 0.00 176.91 178.18 3fcw n VAL 67 N -2.47 0.00 1.87 -2.22 0.31 -0.78 -4.61 118.33 110.43 3fcw n VAL 67 Ca -0.02 -0.48 0.15 0.00 -0.01 0.00 0.00 64.34 63.98 3fcw n VAL 67 Cb 0.05 1.19 0.82 0.00 -0.91 0.00 0.00 33.84 34.99 3fcw n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fcw n SER 68 N 0.40 0.40 -2.76 4.52 3.41 -0.58 -4.81 113.62 114.20 3fcw n SER 68 Ca 0.05 -1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 57.50 3fcw n SER 68 Cb 0.23 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3fcw n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fcw n GLY 69 N 1.04 0.73 3.65 5.00 0.00 -1.26 -5.08 105.19 109.26 3fcw n GLY 69 Ca 0.22 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 3fcw n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fcw s PRO 70 N -2.04 0.35 -0.11 1.61 0.02 -1.11 -4.54 135.00 129.19 3fcw s PRO 70 Ca 0.18 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 61.78 3fcw s PRO 70 Cb -0.02 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.82 3fcw s PRO 70 CO 0.04 -2.83 0.31 0.42 -0.33 0.00 0.00 177.00 174.61 3fcw s ILE 71 N -2.84 0.01 -0.12 2.83 1.01 0.14 -3.45 121.20 118.78 3fcw s ILE 71 Ca 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.25 3fcw s ILE 71 Cb -0.20 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3fcw s ILE 71 CO 0.59 -0.03 -0.11 -0.63 0.00 0.00 0.00 174.94 174.76 3fcw s ILE 72 N 0.01 3.24 -0.18 2.92 1.01 -1.09 -0.10 121.20 127.01 3fcw s ILE 72 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3fcw s ILE 72 Cb -0.03 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 3fcw s ILE 72 CO 0.01 0.53 0.00 -0.94 0.00 0.00 0.00 174.94 174.54 3fcw s SER 73 N 0.11 4.99 -0.04 3.58 1.04 -0.47 -0.14 113.70 122.77 3fcw s SER 73 Ca -0.05 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3fcw s SER 73 Cb -0.15 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.14 3fcw s SER 73 CO 0.04 0.12 -0.12 -0.63 0.98 0.00 0.00 173.24 173.64 3fcw s ILE 74 N 0.64 1.03 -0.31 -1.02 1.01 0.22 -1.36 121.20 121.41 3fcw s ILE 74 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 3fcw s ILE 74 Cb -0.14 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3fcw s ILE 74 CO 0.02 0.31 0.27 -0.69 0.00 0.00 0.00 174.94 174.85 3fcw s VAL 75 N 0.26 5.25 0.00 2.92 1.01 0.03 -0.22 120.40 129.66 3fcw s VAL 75 Ca -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3fcw s VAL 75 Cb -0.11 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3fcw s VAL 75 CO 0.02 0.10 0.12 -0.31 0.00 0.00 0.00 175.10 175.03 3fcw s TYR 76 N 1.86 3.39 -0.05 5.22 1.51 -0.44 -0.60 117.35 128.23 3fcw s TYR 76 Ca 0.09 0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.44 3fcw s TYR 76 Cb -0.16 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 3fcw s TYR 76 CO 0.11 0.59 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.99 3fcw s GLU 77 N -1.87 1.65 0.00 -0.62 2.12 -0.04 -1.38 118.70 118.56 3fcw s GLU 77 Ca 0.25 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3fcw s GLU 77 Cb -0.12 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.86 3fcw s GLU 77 CO 0.17 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 3fcw n GLY 78 N 3.42 -0.24 3.69 -1.50 0.00 -0.89 -1.62 105.19 108.06 3fcw n GLY 78 Ca -0.20 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3fcw n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fcw s THR 79 N -2.00 2.66 -1.84 2.61 2.01 -1.26 -1.25 115.64 116.57 3fcw s THR 79 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3fcw s THR 79 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 3fcw s THR 79 CO 0.00 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.26 3fcw n ASP 80 N 5.42 -5.43 -0.25 3.53 4.64 -0.87 -4.86 116.55 118.73 3fcw n ASP 80 Ca 0.17 0.21 -0.03 0.00 -1.38 0.00 0.00 54.79 53.75 3fcw n ASP 80 Cb 0.39 -4.64 0.02 0.00 -1.04 0.00 0.00 41.12 35.85 3fcw n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fcw h ALA 81 N 0.64 0.07 0.22 -1.67 0.00 -1.68 -0.03 119.26 116.82 3fcw h ALA 81 Ca -0.44 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fcw h ALA 81 Cb 1.32 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 3fcw h ALA 81 CO 0.57 -0.63 -0.52 0.82 0.00 0.00 0.00 179.25 179.48 3fcw h ILE 82 N -0.11 0.00 -0.56 0.00 2.04 -1.87 0.22 117.51 117.23 3fcw h ILE 82 Ca 0.27 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 3fcw h ILE 82 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3fcw h ILE 82 CO -0.76 0.00 0.18 -1.28 0.00 0.00 0.00 178.15 176.29 3fcw h SER 83 N -0.82 0.81 -0.30 1.72 0.87 -1.78 -2.00 113.55 112.07 3fcw h SER 83 Ca -0.02 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 3fcw h SER 83 Cb 0.78 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3fcw h SER 83 CO -0.23 0.80 -0.30 0.11 -0.53 0.00 0.00 176.83 176.68 3fcw h LYS 84 N 0.78 0.81 -0.03 2.24 1.79 -0.75 -0.54 116.57 120.88 3fcw h LYS 84 Ca 0.18 -0.38 -0.24 0.00 -2.18 0.00 0.00 60.65 58.03 3fcw h LYS 84 Cb 0.27 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3fcw h LYS 84 CO -0.01 1.01 -0.96 0.82 -1.08 0.00 0.00 179.45 179.24 3fcw h ILE 85 N 0.69 1.32 -0.78 1.86 2.04 -0.99 0.72 117.51 122.36 3fcw h ILE 85 Ca 0.08 -2.25 0.15 0.00 1.00 0.00 0.00 64.86 63.84 3fcw h ILE 85 Cb 0.85 2.31 -0.10 0.00 -0.74 0.00 0.00 36.82 39.14 3fcw h ILE 85 CO 0.07 0.69 0.31 0.03 0.00 0.00 0.00 178.15 179.25 3fcw h ARG 86 N 0.36 0.42 -0.29 2.37 2.47 -1.24 0.27 114.38 118.74 3fcw h ARG 86 Ca -0.10 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.50 3fcw h ARG 86 Cb 1.59 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.81 3fcw h ARG 86 CO 0.18 0.28 -0.19 -0.09 0.56 0.00 0.00 179.97 180.71 3fcw h ARG 87 N 0.43 0.64 -0.48 0.04 9.65 -0.68 -0.65 114.38 123.33 3fcw h ARG 87 Ca 0.44 -0.30 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 3fcw h ARG 87 Cb 0.69 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.19 3fcw h ARG 87 CO -0.43 0.89 0.00 -0.07 2.80 0.00 0.00 179.97 183.16 3fcw h LEU 88 N 0.38 -0.20 -0.04 3.80 4.07 -0.23 -2.39 115.31 120.71 3fcw h LEU 88 Ca 0.06 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.16 3fcw h LEU 88 Cb 0.72 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 3fcw h LEU 88 CO 0.05 -0.06 -0.14 -0.61 -1.08 0.00 0.00 178.44 176.60 3fcw h GLN 89 N 0.12 -0.21 0.00 1.13 4.15 -0.19 0.82 115.11 120.93 3fcw h GLN 89 Ca 0.24 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3fcw h GLN 89 Cb 0.36 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.09 3fcw h GLN 89 CO -0.40 -0.14 0.00 0.41 -1.93 0.00 0.00 178.83 176.77 3fcw n GLY 90 N -1.28 1.19 3.39 2.39 0.00 -0.28 -1.75 105.19 108.85 3fcw n GLY 90 Ca -0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 3fcw n GLY 90 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fcw n ASN 91 N -2.15 -1.21 0.00 1.61 0.23 -1.26 -4.79 115.26 107.69 3fcw n ASN 91 Ca 0.00 -3.01 0.11 0.00 -0.53 0.00 0.00 54.58 51.15 3fcw n ASN 91 Cb 0.00 2.35 0.54 0.00 -2.08 0.00 0.00 39.78 40.59 3fcw n ASN 91 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fcw n ILE 92 N -0.60 0.33 -0.04 1.53 0.13 -1.26 -1.94 119.36 117.50 3fcw n ILE 92 Ca 0.03 0.08 0.01 0.00 -1.10 0.00 0.00 62.75 61.77 3fcw n ILE 92 Cb 0.60 -0.68 -0.16 0.00 -0.84 0.00 0.00 39.64 38.56 3fcw n ILE 92 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3fcw n LEU 93 N -1.41 0.08 -4.35 9.51 4.77 -1.26 -4.71 117.00 119.64 3fcw n LEU 93 Ca 0.08 0.04 -0.45 0.00 -0.03 0.00 0.00 56.01 55.64 3fcw n LEU 93 Cb 0.24 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3fcw n LEU 93 CO 0.20 0.22 0.11 -0.89 -1.33 0.00 0.00 177.39 175.70 3fcw s THR 94 N -3.03 5.20 0.72 -5.08 2.01 -1.09 -5.02 115.64 109.35 3fcw s THR 94 Ca -0.08 -1.29 -0.15 0.00 0.31 0.00 0.00 61.69 60.48 3fcw s THR 94 Cb 0.10 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.39 3fcw s THR 94 CO 0.87 -0.76 1.19 -2.84 -0.69 0.00 0.00 174.62 172.39 3fcw s PRO 95 N 1.68 2.21 0.00 4.92 0.02 -1.26 -3.22 135.00 139.35 3fcw s PRO 95 Ca 0.04 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.76 3fcw s PRO 95 Cb -0.27 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.40 3fcw s PRO 95 CO 0.05 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 3fcw n GLY 96 N 0.26 3.22 3.97 0.52 0.00 -1.26 -4.96 105.19 106.94 3fcw n GLY 96 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3fcw n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fcw s THR 97 N -2.92 2.44 0.05 2.61 -4.23 -1.20 -4.93 115.64 107.47 3fcw s THR 97 Ca 0.00 -0.59 -0.26 0.00 -1.18 0.00 0.00 61.69 59.66 3fcw s THR 97 Cb 0.00 -2.85 -0.17 0.00 1.34 0.00 0.00 72.50 70.83 3fcw s THR 97 CO 0.00 0.00 1.54 0.40 -0.54 0.00 0.00 174.62 176.02 3fcw h ILE 98 N -0.21 0.85 -0.22 2.99 2.04 -0.84 -1.40 117.51 120.72 3fcw h ILE 98 Ca -0.40 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3fcw h ILE 98 Cb 1.29 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3fcw h ILE 98 CO 0.49 0.07 -0.24 0.03 0.00 0.00 0.00 178.15 178.50 3fcw h ARG 99 N -0.42 0.40 -0.66 2.37 3.08 -1.57 -2.23 114.38 115.36 3fcw h ARG 99 Ca -0.03 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3fcw h ARG 99 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3fcw h ARG 99 CO 0.05 0.62 0.29 0.78 -1.07 0.00 0.00 179.97 180.63 3fcw h GLY 100 N 1.00 1.04 0.76 0.04 0.00 -1.16 -2.31 103.07 102.44 3fcw h GLY 100 Ca 0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 3fcw h GLY 100 CO 0.04 0.51 -1.53 1.22 0.00 0.00 0.00 176.54 176.78 3fcw n ASP 101 N -4.44 0.66 0.00 0.19 8.00 -0.55 -4.56 116.55 115.85 3fcw n ASP 101 Ca 0.05 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3fcw n ASP 101 Cb 0.15 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3fcw n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fcw n LEU 102 N -2.77 0.00 -4.59 0.64 4.77 -0.84 -5.08 117.00 109.13 3fcw n LEU 102 Ca -0.10 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.57 3fcw n LEU 102 Cb 0.80 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.80 3fcw n LEU 102 CO 0.43 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 176.14 3fcw s ALA 103 N -1.62 3.09 -0.40 -1.18 0.00 -0.87 -5.04 121.76 115.75 3fcw s ALA 103 Ca 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 51.96 50.09 3fcw s ALA 103 Cb 0.00 -0.29 0.39 0.00 0.00 0.00 0.00 23.12 23.21 3fcw s ALA 103 CO 0.00 0.10 1.26 -1.71 0.00 0.00 0.00 175.76 175.41 3fcw n ASN 104 N -0.87 -1.48 -3.61 0.00 5.15 -1.26 -4.75 115.26 108.44 3fcw n ASN 104 Ca -0.05 -2.70 -0.10 0.00 -0.60 0.00 0.00 54.58 51.14 3fcw n ASN 104 Cb 0.62 0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 40.73 3fcw n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fcw s ASP 105 N -1.49 -0.40 0.42 1.20 -1.08 -1.26 -5.04 116.67 109.02 3fcw s ASP 105 Ca 0.23 0.64 0.20 0.00 -0.52 0.00 0.00 52.55 53.10 3fcw s ASP 105 Cb 0.39 0.60 0.91 0.00 -1.46 0.00 0.00 42.92 43.35 3fcw s ASP 105 CO -0.07 -0.24 1.85 0.16 0.52 0.00 0.00 175.17 177.39 3fcw h ILE 106 N 3.11 0.85 0.00 4.11 -2.65 -2.02 -3.37 117.51 117.54 3fcw h ILE 106 Ca -0.24 -1.18 -0.00 0.00 1.03 0.00 0.00 64.86 64.47 3fcw h ILE 106 Cb 1.17 1.71 -0.00 0.00 -2.05 0.00 0.00 36.82 37.65 3fcw h ILE 106 CO 0.20 0.29 -1.00 -1.14 0.03 0.00 0.00 178.15 176.53 3fcw n ARG 107 N -3.66 0.53 -2.61 0.16 0.63 -1.26 -4.78 116.66 105.67 3fcw n ARG 107 Ca -0.01 0.22 -0.42 0.00 -0.92 0.00 0.00 57.85 56.71 3fcw n ARG 107 Cb 0.41 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.87 3fcw n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3fcw s GLU 108 N -2.89 3.81 -0.17 -0.14 2.02 -1.26 -4.74 118.70 115.34 3fcw s GLU 108 Ca -0.29 -1.66 0.14 0.00 0.02 0.00 0.00 54.97 53.19 3fcw s GLU 108 Cb 0.04 -5.41 0.42 0.00 0.10 0.00 0.00 34.13 29.28 3fcw s GLU 108 CO 0.43 -2.19 1.21 0.27 0.02 0.00 0.00 175.26 174.99 3fcw n ASN 109 N 8.37 1.65 0.00 -0.19 0.23 -1.26 -4.34 115.26 119.72 3fcw n ASN 109 Ca 0.41 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.01 3fcw n ASN 109 Cb 0.48 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 3fcw n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fcw n LEU 110 N -0.73 0.00 -3.76 -4.53 4.77 -1.26 -4.80 117.00 106.69 3fcw n LEU 110 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3fcw n LEU 110 Cb 0.81 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.81 3fcw n LEU 110 CO -0.02 0.00 0.02 -0.51 -1.33 0.00 0.00 177.39 175.54 3fcw s ILE 111 N 0.00 0.06 -0.04 -0.08 2.07 -1.26 -0.54 121.20 121.41 3fcw s ILE 111 Ca 0.00 -0.47 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 3fcw s ILE 111 Cb 0.00 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 3fcw s ILE 111 CO 0.00 -0.26 -0.25 -2.28 -1.91 0.00 0.00 174.94 170.25 3fcw s HIS 112 N -1.29 2.40 -0.03 3.50 5.65 -0.08 -4.94 115.29 120.49 3fcw s HIS 112 Ca -0.13 -0.54 0.03 0.00 0.25 0.00 0.00 55.06 54.67 3fcw s HIS 112 Cb -0.05 -1.55 0.01 0.00 -1.18 0.00 0.00 32.58 29.80 3fcw s HIS 112 CO 0.04 -0.10 -0.10 0.00 -0.65 0.00 0.00 174.74 173.93 3fcw s ALA 113 N -0.43 0.96 0.42 1.58 0.00 -1.26 -1.14 121.76 121.88 3fcw s ALA 113 Ca 0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 3fcw s ALA 113 Cb -0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.53 3fcw s ALA 113 CO 0.01 0.14 1.11 0.43 0.00 0.00 0.00 175.76 177.45 3fcw n SER 114 N 3.39 1.76 -0.54 0.00 7.64 -0.80 -4.90 113.62 120.18 3fcw n SER 114 Ca -0.19 1.06 0.05 0.00 1.01 0.00 0.00 58.87 60.80 3fcw n SER 114 Cb 0.54 -1.41 0.12 0.00 -1.01 0.00 0.00 64.21 62.44 3fcw n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fcw n ASP 115 N 0.36 2.61 -3.80 6.43 5.68 -1.26 -4.65 116.55 121.91 3fcw n ASP 115 Ca 0.08 -1.86 -0.07 0.00 -0.50 0.00 0.00 54.79 52.44 3fcw n ASP 115 Cb 0.39 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 3fcw n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fcw s SER 116 N -0.96 -0.28 0.25 -1.12 1.04 -1.26 -4.98 113.70 106.38 3fcw s SER 116 Ca 0.19 -0.52 0.10 0.00 0.48 0.00 0.00 55.95 56.19 3fcw s SER 116 Cb 0.10 0.69 0.27 0.00 0.10 0.00 0.00 66.02 67.18 3fcw s SER 116 CO 0.14 -1.26 1.56 -0.33 0.98 0.00 0.00 173.24 174.33 3fcw h GLU 117 N 2.00 0.01 -0.10 4.02 5.08 -1.98 -2.01 114.58 121.60 3fcw h GLU 117 Ca -0.21 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3fcw h GLU 117 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fcw h GLU 117 CO 0.25 0.68 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.47 3fcw h ASP 118 N 0.00 0.19 0.10 1.42 5.19 -2.00 -2.86 116.42 118.47 3fcw h ASP 118 Ca -0.01 -0.36 0.02 0.00 -0.62 0.00 0.00 57.03 56.06 3fcw h ASP 118 Cb 1.19 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 3fcw h ASP 118 CO 0.09 0.51 -0.27 0.28 -3.12 0.00 0.00 179.24 176.73 3fcw h SER 119 N -0.13 -0.77 -0.68 6.45 0.02 -1.94 -2.34 113.55 114.16 3fcw h SER 119 Ca 0.03 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 3fcw h SER 119 Cb 0.42 0.30 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 3fcw h SER 119 CO 0.01 -0.35 0.29 0.00 -1.14 0.00 0.00 176.83 175.63 3fcw h ALA 120 N 0.27 0.92 -0.37 3.77 0.00 -1.37 0.56 119.26 123.05 3fcw h ALA 120 Ca 0.04 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fcw h ALA 120 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fcw h ALA 120 CO -0.17 -0.15 -0.00 0.28 0.00 0.00 0.00 179.25 179.21 3fcw h VAL 121 N 0.48 1.26 -0.03 0.00 2.07 -1.40 -0.58 116.25 118.05 3fcw h VAL 121 Ca 0.35 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3fcw h VAL 121 Cb 0.44 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3fcw h VAL 121 CO -0.32 0.33 -0.01 -0.78 0.02 0.00 0.00 177.57 176.81 3fcw h ASP 122 N 0.47 0.05 -0.44 0.57 3.58 -0.71 -2.81 116.42 117.14 3fcw h ASP 122 Ca 0.10 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 3fcw h ASP 122 Cb 0.47 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3fcw h ASP 122 CO 0.02 0.43 0.00 -0.33 -2.88 0.00 0.00 179.24 176.48 3fcw h GLU 123 N -0.32 0.85 -0.31 0.28 5.08 0.08 -2.10 114.58 118.14 3fcw h GLU 123 Ca 0.01 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3fcw h GLU 123 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fcw h GLU 123 CO 0.00 0.85 0.04 0.82 -1.00 0.00 0.00 179.01 179.72 3fcw h ILE 124 N 0.79 1.17 -0.01 3.13 2.04 -1.11 -2.24 117.51 121.28 3fcw h ILE 124 Ca 0.15 -0.62 -0.20 0.00 1.00 0.00 0.00 64.86 65.19 3fcw h ILE 124 Cb 0.47 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3fcw h ILE 124 CO 0.02 0.22 -0.87 0.77 0.00 0.00 0.00 178.15 178.28 3fcw h SER 125 N 0.45 0.38 -0.09 1.72 4.64 -1.17 0.28 113.55 119.76 3fcw h SER 125 Ca 0.10 -0.30 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3fcw h SER 125 Cb 0.23 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3fcw h SER 125 CO 0.00 1.08 0.05 0.40 -0.87 0.00 0.00 176.83 177.50 3fcw h ILE 126 N 0.17 1.08 0.00 0.95 2.04 -1.11 -3.19 117.51 117.45 3fcw h ILE 126 Ca -0.05 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 3fcw h ILE 126 Cb 1.49 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3fcw h ILE 126 CO 0.14 0.07 -1.17 -0.50 0.00 0.00 0.00 178.15 176.69 3fcw h TRP 127 N 0.07 0.00 -2.59 1.37 4.06 -1.41 -3.42 115.95 114.04 3fcw h TRP 127 Ca 0.03 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.40 3fcw h TRP 127 Cb 0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 27.83 3fcw h TRP 127 CO -0.05 0.40 -0.86 -0.06 -3.56 0.00 0.00 178.44 174.32 3fcw s PHE 128 N -3.05 0.83 -2.67 0.49 0.08 0.99 -5.01 117.98 109.65 3fcw s PHE 128 Ca -0.01 -1.74 0.27 0.00 0.12 0.00 0.00 56.93 55.56 3fcw s PHE 128 Cb 0.09 -0.97 0.76 0.00 -0.57 0.00 0.00 43.02 42.33 3fcw s PHE 128 CO 0.79 -0.83 1.58 -2.30 -0.10 0.00 0.00 175.22 174.37