#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbb n LEU 1 N 0.00 3.62 -3.97 0.99 7.94 -1.26 -1.39 117.00 122.93 3fbb n LEU 1 Ca 0.00 1.10 -0.08 0.00 -1.11 0.00 0.00 56.01 55.91 3fbb n LEU 1 Cb 0.00 -1.50 -0.09 0.00 0.53 0.00 0.00 43.42 42.35 3fbb n LEU 1 CO 0.00 -0.09 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.84 3fbb s GLN 2 N 0.49 0.63 0.06 1.96 -0.21 -0.26 -4.86 119.66 117.48 3fbb s GLN 2 Ca 0.73 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 55.24 3fbb s GLN 2 Cb -0.59 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 33.63 3fbb s GLN 2 CO 0.40 -0.15 -0.22 1.03 -2.12 0.00 0.00 175.29 174.23 3fbb s ARG 3 N -3.25 1.89 0.04 2.91 0.52 -1.26 -1.28 118.95 118.52 3fbb s ARG 3 Ca 0.01 -1.08 -0.02 0.00 -0.52 0.00 0.00 55.73 54.12 3fbb s ARG 3 Cb 0.03 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3fbb s ARG 3 CO -0.08 0.52 0.01 -0.08 0.02 0.00 0.00 175.30 175.69 3fbb s THR 4 N -0.92 0.17 -0.15 0.02 -1.32 0.09 -4.71 115.64 108.82 3fbb s THR 4 Ca 0.14 -1.37 -0.05 0.00 -1.21 0.00 0.00 61.69 59.20 3fbb s THR 4 Cb -0.10 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 3fbb s THR 4 CO 0.05 -0.75 0.03 -0.22 -2.21 0.00 0.00 174.62 171.51 3fbb s LEU 5 N -2.33 3.66 -0.04 9.08 2.96 -1.26 -0.83 118.68 129.91 3fbb s LEU 5 Ca -0.02 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3fbb s LEU 5 Cb 0.01 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3fbb s LEU 5 CO -0.06 0.24 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.27 3fbb s VAL 6 N -0.02 1.97 -0.10 1.68 1.01 0.13 -2.17 120.40 122.90 3fbb s VAL 6 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3fbb s VAL 6 Cb -0.13 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3fbb s VAL 6 CO 0.02 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 174.85 3fbb s LEU 7 N -0.32 3.22 -0.29 3.92 1.43 0.02 -0.26 118.68 126.41 3fbb s LEU 7 Ca 0.02 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 3fbb s LEU 7 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3fbb s LEU 7 CO 0.02 0.29 0.28 -0.63 0.23 0.00 0.00 176.35 176.54 3fbb s ILE 8 N -0.35 5.24 0.60 -0.59 1.01 0.53 -0.90 121.20 126.73 3fbb s ILE 8 Ca 0.05 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 3fbb s ILE 8 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3fbb s ILE 8 CO 0.02 0.16 0.99 -0.54 0.00 0.00 0.00 174.94 175.57 3fbb s LYS 9 N 1.91 3.51 0.49 2.79 1.02 0.07 -2.28 119.74 127.25 3fbb s LYS 9 Ca 0.11 0.61 0.21 0.00 0.02 0.00 0.00 55.97 56.91 3fbb s LYS 9 Cb -0.16 -2.13 1.25 0.00 -0.52 0.00 0.00 37.83 36.27 3fbb s LYS 9 CO 0.11 -0.54 1.99 -1.35 -0.92 0.00 0.00 175.35 174.63 3fbb h PRO 10 N -0.24 0.15 0.00 -1.68 0.11 -1.82 -0.90 132.00 127.63 3fbb h PRO 10 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3fbb h PRO 10 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fbb h PRO 10 CO 0.62 0.10 -0.14 0.38 -0.21 0.00 0.00 178.00 178.75 3fbb h ASP 11 N 0.16 0.00 -0.29 -2.05 2.03 -1.91 -0.13 116.42 114.23 3fbb h ASP 11 Ca 0.27 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.42 3fbb h ASP 11 Cb 0.84 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 3fbb h ASP 11 CO -0.04 0.14 -0.37 0.00 -1.03 0.00 0.00 179.24 177.94 3fbb h ALA 12 N 1.86 0.68 -0.12 4.15 0.00 -1.42 -1.30 119.26 123.11 3fbb h ALA 12 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3fbb h ALA 12 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3fbb h ALA 12 CO 0.02 0.67 -0.05 0.74 0.00 0.00 0.00 179.25 180.62 3fbb h PHE 13 N 0.68 0.28 -0.91 0.00 -1.00 -1.43 0.28 116.94 114.84 3fbb h PHE 13 Ca 0.06 -0.07 0.19 0.00 2.81 0.00 0.00 57.97 60.96 3fbb h PHE 13 Cb 0.93 -0.07 -0.11 0.00 3.61 0.00 0.00 35.95 40.32 3fbb h PHE 13 CO 0.05 0.58 0.48 1.49 -1.61 0.00 0.00 178.31 179.31 3fbb h GLU 14 N -0.10 0.58 -0.31 1.51 4.57 -0.92 -2.55 114.58 117.36 3fbb h GLU 14 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fbb h GLU 14 Cb 0.51 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3fbb h GLU 14 CO 0.02 0.38 0.00 0.54 -1.18 0.00 0.00 179.01 178.77 3fbb n ARG 15 N -4.89 2.37 -3.63 1.92 1.74 -0.50 -4.97 116.66 108.70 3fbb n ARG 15 Ca 0.21 -2.16 -0.23 0.00 -0.77 0.00 0.00 57.85 54.90 3fbb n ARG 15 Cb 0.56 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.59 3fbb n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbb n SER 16 N 1.37 -4.22 -0.77 0.55 7.64 -0.10 -4.91 113.62 113.18 3fbb n SER 16 Ca 0.17 -0.64 0.08 0.00 1.01 0.00 0.00 58.87 59.49 3fbb n SER 16 Cb 0.58 -4.72 0.15 0.00 -1.01 0.00 0.00 64.21 59.21 3fbb n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbb n LEU 17 N -4.62 2.86 0.03 -3.43 4.77 0.79 -4.71 117.00 112.70 3fbb n LEU 17 Ca -0.11 -1.57 -0.11 0.00 -0.03 0.00 0.00 56.01 54.20 3fbb n LEU 17 Cb 0.60 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3fbb n LEU 17 CO 0.66 0.64 0.68 0.58 -1.33 0.00 0.00 177.39 178.63 3fbb h VAL 18 N 2.91 0.37 -0.40 4.08 2.07 -1.91 -0.10 116.25 123.27 3fbb h VAL 18 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3fbb h VAL 18 Cb 0.75 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3fbb h VAL 18 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 3fbb h ALA 19 N 0.46 0.97 -0.75 1.67 0.00 -1.94 -1.30 119.26 118.38 3fbb h ALA 19 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fbb h ALA 19 Cb 0.50 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3fbb h ALA 19 CO -0.28 0.60 0.47 1.49 0.00 0.00 0.00 179.25 181.53 3fbb h GLU 20 N 0.67 1.00 0.03 0.00 4.57 -1.72 0.26 114.58 119.39 3fbb h GLU 20 Ca 0.11 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3fbb h GLU 20 Cb 0.64 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3fbb h GLU 20 CO 0.04 0.69 -0.01 0.82 -1.18 0.00 0.00 179.01 179.37 3fbb h ILE 21 N 1.01 1.32 -0.16 2.32 2.04 -0.59 -2.77 117.51 120.68 3fbb h ILE 21 Ca 0.27 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3fbb h ILE 21 Cb -0.07 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3fbb h ILE 21 CO -0.05 0.29 0.02 0.24 0.00 0.00 0.00 178.15 178.64 3fbb h MET 22 N -0.54 0.22 -0.62 2.37 2.86 -1.08 -2.59 114.93 115.55 3fbb h MET 22 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3fbb h MET 22 Cb 0.50 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3fbb h MET 22 CO 0.01 0.23 0.28 0.78 1.06 0.00 0.00 176.91 179.27 3fbb h GLY 23 N 0.43 0.97 1.88 8.32 0.00 -0.42 0.15 103.07 114.40 3fbb h GLY 23 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3fbb h GLY 23 CO -0.00 0.47 -0.11 3.21 0.00 0.00 0.00 176.54 180.11 3fbb h ARG 24 N 0.86 0.16 0.15 4.80 3.08 -1.17 -0.08 114.38 122.17 3fbb h ARG 24 Ca 0.21 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.93 3fbb h ARG 24 Cb 0.15 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.20 3fbb h ARG 24 CO -0.02 0.28 -1.28 0.82 -1.07 0.00 0.00 179.97 178.69 3fbb h ILE 25 N 0.15 1.29 -0.69 2.04 2.04 -1.43 -3.05 117.51 117.87 3fbb h ILE 25 Ca 0.03 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3fbb h ILE 25 Cb 0.29 2.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 3fbb h ILE 25 CO 0.02 0.76 0.43 -0.08 0.00 0.00 0.00 178.15 179.28 3fbb h GLU 26 N 0.22 0.92 0.00 2.37 4.81 -0.61 -2.64 114.58 119.65 3fbb h GLU 26 Ca -0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3fbb h GLU 26 Cb 1.96 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.14 3fbb h GLU 26 CO 0.24 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 180.79 3fbb n LYS 27 N -4.58 0.22 0.00 1.92 5.02 -0.08 -1.16 118.16 119.51 3fbb n LYS 27 Ca 0.06 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 3fbb n LYS 27 Cb 0.04 -1.88 0.60 0.00 -0.02 0.00 0.00 35.03 33.76 3fbb n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fbb n LYS 28 N -2.30 1.55 -1.47 1.97 3.00 -1.01 -4.94 118.16 114.96 3fbb n LYS 28 Ca 0.03 -0.80 0.00 0.00 -0.00 0.00 0.00 58.31 57.54 3fbb n LYS 28 Cb 0.27 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.82 3fbb n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3fbb n ASN 29 N -0.02 -1.95 -4.86 3.14 4.05 -0.31 -5.07 115.26 110.23 3fbb n ASN 29 Ca 0.20 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.90 3fbb n ASN 29 Cb 0.31 -0.49 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 3fbb n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbb s PHE 30 N -2.00 3.42 -0.11 1.20 0.40 -1.11 -4.94 117.98 114.85 3fbb s PHE 30 Ca 0.00 1.04 -0.00 0.00 -0.60 0.00 0.00 56.93 57.37 3fbb s PHE 30 Cb 0.00 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 3fbb s PHE 30 CO 0.00 0.22 -0.09 0.15 0.70 0.00 0.00 175.22 176.19 3fbb s LYS 31 N -2.79 3.14 0.07 0.44 -0.14 -0.64 -4.52 119.74 115.31 3fbb s LYS 31 Ca 0.49 -0.61 -0.31 0.00 -1.36 0.00 0.00 55.97 54.18 3fbb s LYS 31 Cb -0.11 -2.65 -0.07 0.00 -1.68 0.00 0.00 37.83 33.32 3fbb s LYS 31 CO 0.20 0.41 1.32 0.42 -0.76 0.00 0.00 175.35 176.94 3fbb s ILE 32 N -0.14 3.64 -0.11 2.17 1.01 -1.26 -0.46 121.20 126.04 3fbb s ILE 32 Ca 0.01 1.15 0.04 0.00 0.00 0.00 0.00 60.65 61.84 3fbb s ILE 32 Cb -0.13 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 3fbb s ILE 32 CO 0.03 0.07 -0.06 0.52 0.00 0.00 0.00 174.94 175.50 3fbb n VAL 33 N 4.08 0.68 -3.69 2.92 0.31 0.51 -4.93 118.33 118.21 3fbb n VAL 33 Ca 0.11 -0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 64.02 3fbb n VAL 33 Cb 0.44 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 3fbb n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fbb s SER 34 N -4.82 -0.25 -0.24 4.52 1.04 -1.19 -4.99 113.70 107.78 3fbb s SER 34 Ca -0.12 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 3fbb s SER 34 Cb 0.04 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.75 3fbb s SER 34 CO 0.32 -0.96 0.60 -0.32 0.98 0.00 0.00 173.24 173.86 3fbb s MET 35 N -3.84 0.66 -0.01 4.02 0.00 -1.26 -0.57 119.30 118.29 3fbb s MET 35 Ca 0.07 0.96 0.03 0.00 0.00 0.00 0.00 55.69 56.75 3fbb s MET 35 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 34.83 35.04 3fbb s MET 35 CO -0.07 -0.12 -0.12 0.15 0.00 0.00 0.00 175.02 174.87 3fbb s LYS 36 N 0.94 0.99 -0.17 4.11 1.02 0.69 -4.99 119.74 122.32 3fbb s LYS 36 Ca -0.05 -0.41 -0.07 0.00 0.02 0.00 0.00 55.97 55.46 3fbb s LYS 36 Cb -0.05 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 3fbb s LYS 36 CO -0.08 0.23 0.06 0.12 -0.92 0.00 0.00 175.35 174.76 3fbb s PHE 37 N -0.19 3.28 -0.23 3.18 5.36 -1.26 -0.37 117.98 127.74 3fbb s PHE 37 Ca 0.03 0.13 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3fbb s PHE 37 Cb -0.05 -2.04 0.05 0.00 -0.34 0.00 0.00 43.02 40.64 3fbb s PHE 37 CO -0.00 0.24 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.32 3fbb s TRP 38 N 0.13 2.69 0.28 10.12 0.52 0.25 -4.98 118.94 127.94 3fbb s TRP 38 Ca 0.05 -1.88 -0.01 0.00 0.02 0.00 0.00 56.10 54.28 3fbb s TRP 38 Cb -0.12 -1.72 0.46 0.00 -1.15 0.00 0.00 33.47 30.94 3fbb s TRP 38 CO 0.01 -0.80 1.89 0.66 0.02 0.00 0.00 176.95 178.73 3fbb h SER 39 N 7.90 0.99 -2.60 2.95 4.64 -1.91 -0.53 113.55 124.99 3fbb h SER 39 Ca -0.22 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 3fbb h SER 39 Cb 1.07 -0.20 -0.32 0.00 -0.31 0.00 0.00 62.40 62.64 3fbb h SER 39 CO 0.46 0.63 -0.51 -0.75 -0.87 0.00 0.00 176.83 175.79 3fbb s LYS 40 N -5.98 0.22 0.26 4.77 2.20 -1.26 -2.91 119.74 117.03 3fbb s LYS 40 Ca -0.12 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 3fbb s LYS 40 Cb 0.20 -0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 36.20 3fbb s LYS 40 CO 0.81 -0.39 1.35 0.00 -0.36 0.00 0.00 175.35 176.76 3fbb s ALA 41 N 2.46 3.55 0.09 3.13 0.00 -1.26 -4.96 121.76 124.77 3fbb s ALA 41 Ca 0.03 1.22 -0.36 0.00 0.00 0.00 0.00 51.96 52.86 3fbb s ALA 41 Cb -0.13 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 3fbb s ALA 41 CO -0.11 -0.63 1.40 -2.30 0.00 0.00 0.00 175.76 174.13 3fbb n PRO 42 N 1.98 1.35 -0.24 0.00 -0.02 -1.26 -4.86 135.00 131.94 3fbb n PRO 42 Ca 0.04 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 3fbb n PRO 42 Cb 0.42 -2.16 0.33 0.00 -0.02 0.00 0.00 33.50 32.07 3fbb n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbb h ARG 43 N 4.95 0.77 -0.34 -0.52 2.43 -1.98 -2.00 114.38 117.69 3fbb h ARG 43 Ca -0.47 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3fbb h ARG 43 Cb 1.32 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3fbb h ARG 43 CO 0.81 0.51 0.13 -0.97 -1.51 0.00 0.00 179.97 178.94 3fbb h ASN 44 N 0.80 0.15 -0.55 -3.80 -0.73 -1.99 -0.52 115.58 108.93 3fbb h ASN 44 Ca 0.38 0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.67 3fbb h ASN 44 Cb 0.42 0.01 -0.07 0.00 0.27 0.00 0.00 38.32 38.96 3fbb h ASN 44 CO -0.15 0.12 0.20 -0.07 -0.37 0.00 0.00 177.43 177.16 3fbb h LEU 45 N 0.28 0.19 -0.70 0.34 4.07 -1.74 0.05 115.31 117.79 3fbb h LEU 45 Ca 0.15 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 3fbb h LEU 45 Cb 0.12 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 3fbb h LEU 45 CO -0.15 0.13 0.26 0.40 -1.08 0.00 0.00 178.44 178.00 3fbb h ILE 46 N 0.38 1.25 -0.58 1.22 1.08 -1.30 -0.39 117.51 119.17 3fbb h ILE 46 Ca 0.27 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3fbb h ILE 46 Cb 0.32 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3fbb h ILE 46 CO -0.28 0.32 0.17 -0.33 -0.69 0.00 0.00 178.15 177.34 3fbb h GLU 47 N 1.02 0.91 0.08 2.37 5.08 -0.34 -0.94 114.58 122.75 3fbb h GLU 47 Ca 0.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fbb h GLU 47 Cb 0.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3fbb h GLU 47 CO -0.01 0.82 -0.04 1.96 -1.00 0.00 0.00 179.01 180.74 3fbb h GLN 48 N 0.82 -0.10 -0.74 2.33 4.20 -0.88 -0.61 115.11 120.13 3fbb h GLN 48 Ca 0.19 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.04 3fbb h GLN 48 Cb 0.30 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 3fbb h GLN 48 CO -0.00 0.03 0.29 1.25 -0.67 0.00 0.00 178.83 179.72 3fbb h HIS 49 N -0.21 0.50 -0.56 2.96 2.76 -0.81 -1.47 115.15 118.32 3fbb h HIS 49 Ca -0.01 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.02 3fbb h HIS 49 Cb 0.18 -0.11 -0.10 0.00 1.55 0.00 0.00 27.41 28.93 3fbb h HIS 49 CO -0.04 0.07 0.15 0.66 -1.30 0.00 0.00 177.93 177.47 3fbb n TYR 50 N -5.00 1.84 -0.25 5.26 0.53 -0.38 -4.69 117.16 114.47 3fbb n TYR 50 Ca 0.14 -1.24 0.05 0.00 -1.02 0.00 0.00 57.90 55.83 3fbb n TYR 50 Cb 0.40 -0.57 0.18 0.00 -1.03 0.00 0.00 39.34 38.32 3fbb n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3fbb h LYS 51 N 2.03 0.35 0.00 -0.72 2.10 0.02 0.19 116.57 120.54 3fbb h LYS 51 Ca 0.21 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3fbb h LYS 51 Cb 2.01 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.26 3fbb h LYS 51 CO 0.56 0.23 0.55 1.49 -2.00 0.00 0.00 179.45 180.28 3fbb h GLU 52 N 0.36 0.00 -0.01 0.07 4.57 -1.84 0.85 114.58 118.58 3fbb h GLU 52 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3fbb h GLU 52 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3fbb h GLU 52 CO -0.44 0.00 -0.03 0.72 -1.18 0.00 0.00 179.01 178.08 3fbb n HIS 53 N -2.31 0.00 0.18 0.92 8.25 0.66 -4.72 115.22 118.19 3fbb n HIS 53 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 3fbb n HIS 53 Cb 0.57 0.00 0.51 0.00 1.12 0.00 0.00 29.99 32.18 3fbb n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbb h SER 54 N 1.88 0.00 0.19 0.41 4.64 -0.82 0.39 113.55 120.25 3fbb h SER 54 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3fbb h SER 54 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3fbb h SER 54 CO 0.00 0.00 -1.92 -0.62 -0.87 0.00 0.00 176.83 173.42 3fbb n GLU 55 N -2.22 0.66 -1.80 4.77 4.71 -1.26 -4.93 120.64 120.56 3fbb n GLU 55 Ca -0.01 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.16 56.73 3fbb n GLU 55 Cb 0.20 -1.59 0.05 0.00 -1.01 0.00 0.00 31.44 29.09 3fbb n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3fbb s GLN 56 N -3.16 2.69 0.47 3.49 -1.52 0.13 -4.91 119.66 116.85 3fbb s GLN 56 Ca -0.07 1.76 0.15 0.00 -1.95 0.00 0.00 55.36 55.25 3fbb s GLN 56 Cb 0.11 -1.90 1.08 0.00 -0.22 0.00 0.00 33.01 32.08 3fbb s GLN 56 CO 0.86 -1.41 2.04 0.66 -0.25 0.00 0.00 175.29 177.19 3fbb h SER 57 N 0.42 0.00 1.39 5.90 4.64 -1.94 -2.51 113.55 121.45 3fbb h SER 57 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fbb h SER 57 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3fbb h SER 57 CO 0.53 0.13 -0.08 0.00 -0.87 0.00 0.00 176.83 176.54 3fbb n TYR 58 N -4.38 0.86 -0.38 4.77 0.18 -1.26 -4.45 117.16 112.50 3fbb n TYR 58 Ca -0.03 0.25 -0.10 0.00 1.88 0.00 0.00 57.90 59.90 3fbb n TYR 58 Cb 0.20 -0.90 -0.09 0.00 -0.38 0.00 0.00 39.34 38.17 3fbb n TYR 58 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3fbb n PHE 59 N -2.22 -0.40 -0.16 -3.48 -0.00 -0.95 -0.77 117.46 109.48 3fbb n PHE 59 Ca 0.05 1.14 -0.09 0.00 -0.00 0.00 0.00 57.45 58.56 3fbb n PHE 59 Cb 0.43 -0.57 -0.00 0.00 -0.00 0.00 0.00 39.48 39.34 3fbb n PHE 59 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3fbb h ASN 60 N 0.00 0.66 -0.76 -2.13 2.35 -1.83 -0.73 115.58 113.15 3fbb h ASN 60 Ca 0.15 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3fbb h ASN 60 Cb 0.38 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3fbb h ASN 60 CO -0.86 0.70 0.46 0.44 -1.65 0.00 0.00 177.43 176.53 3fbb h ASP 61 N 0.59 0.74 -0.65 5.81 3.32 -1.77 -2.10 116.42 122.36 3fbb h ASP 61 Ca 0.14 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3fbb h ASP 61 Cb 0.28 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3fbb h ASP 61 CO -0.00 0.50 0.40 0.25 -1.72 0.00 0.00 179.24 178.66 3fbb h LEU 62 N 0.88 0.65 -0.23 1.55 5.85 -0.26 -0.48 115.31 123.27 3fbb h LEU 62 Ca 0.32 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3fbb h LEU 62 Cb 0.09 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3fbb h LEU 62 CO -0.14 0.46 -0.02 0.00 -0.34 0.00 0.00 178.44 178.39 3fbb h ASP 64 N 0.19 -0.01 -0.53 0.00 3.32 -1.15 -2.27 116.42 115.96 3fbb h ASP 64 Ca 0.06 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3fbb h ASP 64 Cb 0.45 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3fbb h ASP 64 CO 0.02 0.02 0.24 0.15 -1.72 0.00 0.00 179.24 177.95 3fbb h PHE 65 N 0.22 0.77 0.00 4.55 3.04 -0.96 -1.47 116.94 123.09 3fbb h PHE 65 Ca 0.23 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3fbb h PHE 65 Cb 0.31 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.58 3fbb h PHE 65 CO -0.23 0.61 0.00 0.52 -2.02 0.00 0.00 178.31 177.19 3fbb h MET 66 N 0.71 0.00 -0.01 1.11 2.86 -0.84 -1.57 114.93 117.19 3fbb h MET 66 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3fbb h MET 66 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3fbb h MET 66 CO -0.02 0.00 -0.05 0.28 1.06 0.00 0.00 176.91 178.18 3fbb n VAL 67 N -2.56 0.00 2.00 -2.22 0.31 -0.89 -4.57 118.33 110.40 3fbb n VAL 67 Ca -0.02 -0.48 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 3fbb n VAL 67 Cb 0.06 1.20 0.46 0.00 -0.91 0.00 0.00 33.84 34.65 3fbb n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fbb n SER 68 N 0.42 0.00 0.00 4.52 3.41 -0.59 -4.82 113.62 116.56 3fbb n SER 68 Ca 0.06 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 3fbb n SER 68 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3fbb n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbb n GLY 69 N 0.74 -1.31 3.74 5.00 0.00 -1.26 -5.07 105.19 107.04 3fbb n GLY 69 Ca 0.12 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3fbb n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbb s PRO 70 N -0.74 2.49 0.05 1.61 0.02 -1.14 -4.57 135.00 132.71 3fbb s PRO 70 Ca 0.00 1.61 0.01 0.00 0.02 0.00 0.00 61.00 62.64 3fbb s PRO 70 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 3fbb s PRO 70 CO 0.00 -1.53 -0.05 0.96 -0.33 0.00 0.00 177.00 176.04 3fbb s ILE 71 N -2.10 0.40 -0.10 2.83 -4.36 -0.21 -2.93 121.20 114.73 3fbb s ILE 71 Ca 0.71 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 3fbb s ILE 71 Cb -0.25 -0.91 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 3fbb s ILE 71 CO 0.42 -0.63 -0.13 -0.63 0.24 0.00 0.00 174.94 174.21 3fbb s ILE 72 N -2.35 3.10 -0.20 8.37 1.01 -0.97 -0.59 121.20 129.58 3fbb s ILE 72 Ca -0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3fbb s ILE 72 Cb -0.03 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3fbb s ILE 72 CO -0.03 0.55 0.02 -0.94 0.00 0.00 0.00 174.94 174.54 3fbb s SER 73 N -0.12 4.97 -0.06 3.58 1.04 0.50 -0.35 113.70 123.27 3fbb s SER 73 Ca -0.01 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.27 3fbb s SER 73 Cb -0.14 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.15 3fbb s SER 73 CO 0.03 0.07 -0.10 -0.63 0.98 0.00 0.00 173.24 173.60 3fbb s ILE 74 N 0.99 0.93 -0.32 -1.02 1.01 0.65 -0.22 121.20 123.21 3fbb s ILE 74 Ca 0.02 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 3fbb s ILE 74 Cb -0.14 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 3fbb s ILE 74 CO 0.02 0.31 0.44 -0.69 0.00 0.00 0.00 174.94 175.02 3fbb s VAL 75 N 0.75 5.10 -0.03 2.92 1.01 0.27 0.22 120.40 130.64 3fbb s VAL 75 Ca -0.13 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3fbb s VAL 75 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3fbb s VAL 75 CO 0.02 -0.08 0.06 -0.31 0.00 0.00 0.00 175.10 174.80 3fbb s TYR 76 N 2.21 3.25 0.04 5.22 1.51 -0.01 -0.36 117.35 129.21 3fbb s TYR 76 Ca 0.16 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.50 3fbb s TYR 76 Cb -0.16 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3fbb s TYR 76 CO 0.12 0.53 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.89 3fbb s GLU 77 N -1.49 1.33 0.00 -0.62 2.12 0.39 -0.73 118.70 119.69 3fbb s GLU 77 Ca 0.20 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.61 3fbb s GLU 77 Cb -0.12 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.84 3fbb s GLU 77 CO 0.10 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 3fbb n GLY 78 N 1.84 0.49 3.67 -1.50 0.00 -0.40 -1.62 105.19 107.66 3fbb n GLY 78 Ca -0.17 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3fbb n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbb s THR 79 N -2.00 3.01 -1.52 2.61 2.01 -1.26 -1.11 115.64 117.38 3fbb s THR 79 Ca 0.00 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3fbb s THR 79 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3fbb s THR 79 CO 0.00 -0.01 0.30 -0.67 -0.69 0.00 0.00 174.62 173.55 3fbb n ASP 80 N 6.92 -5.63 -0.17 3.53 4.64 -0.49 -4.88 116.55 120.47 3fbb n ASP 80 Ca 0.19 -0.15 -0.05 0.00 -1.38 0.00 0.00 54.79 53.40 3fbb n ASP 80 Cb 0.41 -4.55 0.05 0.00 -1.04 0.00 0.00 41.12 35.98 3fbb n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbb h ALA 81 N 0.91 0.67 0.66 -1.67 0.00 -1.69 -1.14 119.26 116.99 3fbb h ALA 81 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3fbb h ALA 81 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3fbb h ALA 81 CO 0.53 -0.03 -0.46 0.82 0.00 0.00 0.00 179.25 180.10 3fbb h ILE 82 N 0.57 0.07 -0.41 0.00 2.04 -1.87 0.08 117.51 117.99 3fbb h ILE 82 Ca 0.22 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 3fbb h ILE 82 Cb 0.08 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3fbb h ILE 82 CO -0.13 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.82 3fbb h SER 83 N -1.07 0.57 -0.13 1.72 0.87 -1.85 -2.07 113.55 111.59 3fbb h SER 83 Ca -0.08 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.17 3fbb h SER 83 Cb 0.88 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3fbb h SER 83 CO 0.04 0.59 -0.75 0.11 -0.53 0.00 0.00 176.83 176.30 3fbb h LYS 84 N 0.60 0.77 -0.01 2.24 1.79 -0.84 -2.24 116.57 118.89 3fbb h LYS 84 Ca 0.14 -0.61 -0.14 0.00 -2.18 0.00 0.00 60.65 57.85 3fbb h LYS 84 Cb 0.26 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3fbb h LYS 84 CO 0.00 1.22 -0.66 0.82 -1.08 0.00 0.00 179.45 179.75 3fbb h ILE 85 N 0.54 1.46 -0.56 1.86 2.04 -0.96 -1.43 117.51 120.45 3fbb h ILE 85 Ca -0.04 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.59 3fbb h ILE 85 Cb 1.37 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 3fbb h ILE 85 CO 0.15 0.64 0.35 0.03 0.00 0.00 0.00 178.15 179.33 3fbb h ARG 86 N 0.03 0.75 -0.64 2.37 2.47 -1.31 0.21 114.38 118.27 3fbb h ARG 86 Ca -0.01 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 3fbb h ARG 86 Cb 1.17 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 3fbb h ARG 86 CO 0.09 0.52 0.10 0.00 0.56 0.00 0.00 179.97 181.24 3fbb h ARG 87 N 0.76 1.05 -0.48 0.04 3.08 -1.11 -0.96 114.38 116.76 3fbb h ARG 87 Ca 0.20 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.00 3fbb h ARG 87 Cb -0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 3fbb h ARG 87 CO -0.04 0.98 0.27 1.25 -1.07 0.00 0.00 179.97 181.36 3fbb h LEU 88 N 0.97 0.42 -0.35 3.04 5.85 -1.07 -2.51 115.31 121.65 3fbb h LEU 88 Ca 0.19 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3fbb h LEU 88 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3fbb h LEU 88 CO 0.01 0.30 0.16 -0.61 -0.34 0.00 0.00 178.44 177.96 3fbb h GLN 89 N 0.54 0.32 0.00 1.25 4.15 -0.74 0.11 115.11 120.74 3fbb h GLN 89 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3fbb h GLN 89 Cb 0.06 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3fbb h GLN 89 CO -0.11 0.21 0.00 0.41 -1.93 0.00 0.00 178.83 177.41 3fbb n GLY 90 N -1.21 2.62 3.33 2.39 0.00 -0.38 -1.64 105.19 110.30 3fbb n GLY 90 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 3fbb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbb s ASN 91 N -4.00 -0.03 0.00 1.61 2.20 -1.26 -4.85 114.94 108.60 3fbb s ASN 91 Ca 0.00 -0.67 0.14 0.00 -0.94 0.00 0.00 52.86 51.39 3fbb s ASN 91 Cb 0.00 0.44 0.68 0.00 -2.00 0.00 0.00 41.25 40.37 3fbb s ASN 91 CO 0.00 -0.87 1.37 2.30 -2.94 0.00 0.00 177.10 176.96 3fbb n ILE 92 N -0.20 0.67 -0.02 0.54 -5.35 -1.26 -2.01 119.36 111.73 3fbb n ILE 92 Ca -0.11 0.17 -0.21 0.00 -0.27 0.00 0.00 62.75 62.33 3fbb n ILE 92 Cb 0.63 -0.94 -0.13 0.00 -1.74 0.00 0.00 39.64 37.45 3fbb n ILE 92 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3fbb h LEU 93 N 0.00 0.28 -8.56 7.28 3.38 -1.88 -3.43 115.31 112.38 3fbb h LEU 93 Ca 0.00 -0.80 -0.70 0.00 0.09 0.00 0.00 57.88 56.47 3fbb h LEU 93 Cb 0.14 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 40.60 3fbb h LEU 93 CO 0.00 1.59 -0.36 -0.89 0.09 0.00 0.00 178.44 178.87 3fbb s THR 94 N -2.45 5.21 0.95 0.22 2.01 -1.15 -4.99 115.64 115.44 3fbb s THR 94 Ca -0.22 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3fbb s THR 94 Cb 0.05 -3.92 0.16 0.00 0.01 0.00 0.00 72.50 68.80 3fbb s THR 94 CO 0.73 -0.28 1.10 -2.84 -0.69 0.00 0.00 174.62 172.63 3fbb s PRO 95 N 1.85 0.78 0.00 4.92 0.02 -1.26 -3.56 135.00 137.75 3fbb s PRO 95 Ca 0.08 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.26 3fbb s PRO 95 Cb -0.18 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3fbb s PRO 95 CO 0.11 -2.67 0.00 0.41 -0.33 0.00 0.00 177.00 174.52 3fbb n GLY 96 N -0.16 3.27 3.97 0.52 0.00 -1.26 -4.93 105.19 106.61 3fbb n GLY 96 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3fbb n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbb s THR 97 N -2.93 2.48 0.04 2.61 -4.23 -1.23 -4.92 115.64 107.47 3fbb s THR 97 Ca 0.00 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3fbb s THR 97 Cb 0.00 -2.62 -0.12 0.00 1.34 0.00 0.00 72.50 71.09 3fbb s THR 97 CO 0.00 0.00 1.35 0.40 -0.54 0.00 0.00 174.62 175.83 3fbb h ILE 98 N 0.60 0.00 -0.96 2.99 2.04 -1.05 0.45 117.51 121.58 3fbb h ILE 98 Ca -0.37 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3fbb h ILE 98 Cb 1.28 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3fbb h ILE 98 CO 0.48 0.00 0.64 0.03 0.00 0.00 0.00 178.15 179.30 3fbb h ARG 99 N -0.79 1.26 -0.96 2.37 3.08 -1.54 -0.51 114.38 117.29 3fbb h ARG 99 Ca -0.07 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.00 3fbb h ARG 99 Cb 0.62 -0.28 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3fbb h ARG 99 CO 0.08 0.83 0.62 0.78 -1.07 0.00 0.00 179.97 181.21 3fbb h GLY 100 N 1.29 1.48 0.67 0.04 0.00 -1.10 -1.68 103.07 103.76 3fbb h GLY 100 Ca 0.36 -0.42 -0.29 0.00 0.00 0.00 0.00 47.33 46.97 3fbb h GLY 100 CO -0.08 0.23 -1.88 1.22 0.00 0.00 0.00 176.54 176.03 3fbb n ASP 101 N -4.55 0.59 0.00 0.19 8.00 0.16 -4.23 116.55 116.71 3fbb n ASP 101 Ca 0.17 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3fbb n ASP 101 Cb 0.29 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3fbb n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbb n LEU 102 N -2.92 0.00 -4.51 0.64 4.77 -0.23 -5.06 117.00 109.68 3fbb n LEU 102 Ca -0.20 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 3fbb n LEU 102 Cb 1.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.04 3fbb n LEU 102 CO 0.44 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 176.05 3fbb s ALA 103 N -1.62 2.81 0.00 -1.18 0.00 -0.65 -5.02 121.76 116.10 3fbb s ALA 103 Ca 0.00 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.34 3fbb s ALA 103 Cb 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3fbb s ALA 103 CO 0.00 0.38 0.86 -1.71 0.00 0.00 0.00 175.76 175.28 3fbb n ASN 104 N -0.21 0.02 -4.05 0.00 5.15 -1.26 -4.76 115.26 110.14 3fbb n ASN 104 Ca -0.09 -1.66 -0.12 0.00 -0.60 0.00 0.00 54.58 52.10 3fbb n ASN 104 Cb 0.57 -0.09 -0.11 0.00 -0.53 0.00 0.00 39.78 39.62 3fbb n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbb s ASP 105 N -0.80 0.76 0.31 1.20 -1.08 -1.25 -5.02 116.67 110.79 3fbb s ASP 105 Ca 0.05 -0.56 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 3fbb s ASP 105 Cb 0.05 0.05 0.75 0.00 -1.46 0.00 0.00 42.92 42.32 3fbb s ASP 105 CO -0.02 -0.23 1.74 -0.29 0.52 0.00 0.00 175.17 176.89 3fbb h ILE 106 N 4.47 0.00 0.00 4.11 2.10 -2.02 -3.37 117.51 122.80 3fbb h ILE 106 Ca -0.35 -0.59 -0.08 0.00 1.08 0.00 0.00 64.86 64.91 3fbb h ILE 106 Cb 1.20 1.55 -0.01 0.00 -1.09 0.00 0.00 36.82 38.47 3fbb h ILE 106 CO 0.42 0.00 -0.99 0.61 -1.08 0.00 0.00 178.15 177.11 3fbb n GLY 107 N 0.94 -0.31 3.54 8.18 0.00 -1.26 -4.83 105.19 111.46 3fbb n GLY 107 Ca 0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3fbb n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fbb s GLU 108 N -2.45 3.60 -0.08 1.61 2.02 -1.26 -4.74 118.70 117.40 3fbb s GLU 108 Ca -0.19 -1.25 0.14 0.00 0.02 0.00 0.00 54.97 53.70 3fbb s GLU 108 Cb 0.04 -5.30 0.29 0.00 0.10 0.00 0.00 34.13 29.27 3fbb s GLU 108 CO 0.26 -2.14 1.14 0.27 0.02 0.00 0.00 175.26 174.80 3fbb n ASN 109 N 8.50 1.23 0.00 -0.19 0.23 -1.26 -3.77 115.26 120.00 3fbb n ASN 109 Ca 0.32 -2.72 0.00 0.00 -0.53 0.00 0.00 54.58 51.65 3fbb n ASN 109 Cb 0.51 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3fbb n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbb n LEU 110 N -0.44 0.00 -3.87 -4.53 4.77 -1.26 -4.78 117.00 106.89 3fbb n LEU 110 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3fbb n LEU 110 Cb 0.82 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.79 3fbb n LEU 110 CO -0.02 0.00 -0.26 -0.51 -1.33 0.00 0.00 177.39 175.27 3fbb s ILE 111 N 0.00 0.04 -0.06 -0.08 2.07 -1.26 -0.75 121.20 121.15 3fbb s ILE 111 Ca 0.00 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 3fbb s ILE 111 Cb 0.00 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 3fbb s ILE 111 CO 0.00 -0.17 -0.15 -2.28 -1.91 0.00 0.00 174.94 170.43 3fbb s HIS 112 N -0.53 2.70 -0.03 3.50 5.65 -0.08 -4.96 115.29 121.54 3fbb s HIS 112 Ca -0.06 -0.23 0.02 0.00 0.25 0.00 0.00 55.06 55.04 3fbb s HIS 112 Cb -0.04 -1.65 0.01 0.00 -1.18 0.00 0.00 32.58 29.72 3fbb s HIS 112 CO 0.00 0.13 -0.06 0.00 -0.65 0.00 0.00 174.74 174.16 3fbb s ALA 113 N -0.59 0.68 0.45 1.58 0.00 -1.26 -0.80 121.76 121.82 3fbb s ALA 113 Ca 0.09 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 3fbb s ALA 113 Cb -0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 3fbb s ALA 113 CO 0.01 0.06 0.99 0.43 0.00 0.00 0.00 175.76 177.24 3fbb n SER 114 N 3.63 1.11 -0.66 0.00 7.64 -0.92 -4.93 113.62 119.50 3fbb n SER 114 Ca -0.21 0.99 0.07 0.00 1.01 0.00 0.00 58.87 60.72 3fbb n SER 114 Cb 0.53 -1.35 0.12 0.00 -1.01 0.00 0.00 64.21 62.50 3fbb n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbb n ASP 115 N 0.33 2.63 -3.82 6.43 5.68 -1.26 -4.71 116.55 121.83 3fbb n ASP 115 Ca 0.10 -1.78 -0.06 0.00 -0.50 0.00 0.00 54.79 52.55 3fbb n ASP 115 Cb 0.41 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 3fbb n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fbb s SER 116 N -1.06 -0.23 0.20 -1.12 1.04 -1.26 -4.97 113.70 106.30 3fbb s SER 116 Ca 0.22 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 56.03 3fbb s SER 116 Cb 0.13 0.64 0.12 0.00 0.10 0.00 0.00 66.02 67.01 3fbb s SER 116 CO 0.18 -1.18 1.75 -0.33 0.98 0.00 0.00 173.24 174.65 3fbb h GLU 117 N 2.00 1.06 -0.08 4.02 5.08 -1.97 -1.77 114.58 122.92 3fbb h GLU 117 Ca -0.21 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3fbb h GLU 117 Cb 1.24 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3fbb h GLU 117 CO 0.24 0.88 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.68 3fbb h ASP 118 N 1.02 0.15 -0.41 1.42 3.32 -2.00 -2.48 116.42 117.43 3fbb h ASP 118 Ca 0.24 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3fbb h ASP 118 Cb 0.22 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3fbb h ASP 118 CO -0.02 0.46 0.23 0.77 -1.72 0.00 0.00 179.24 178.96 3fbb h SER 119 N -0.17 0.53 -0.37 6.45 4.64 -1.95 -2.11 113.55 120.57 3fbb h SER 119 Ca 0.02 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3fbb h SER 119 Cb 0.39 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3fbb h SER 119 CO 0.01 0.44 0.02 0.00 -0.87 0.00 0.00 176.83 176.43 3fbb h ALA 120 N 1.65 0.50 -0.27 5.18 0.00 -1.17 0.15 119.26 125.30 3fbb h ALA 120 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fbb h ALA 120 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fbb h ALA 120 CO -0.02 0.25 0.11 0.28 0.00 0.00 0.00 179.25 179.86 3fbb h VAL 121 N 0.47 1.17 0.33 0.00 2.07 -1.19 -1.11 116.25 118.00 3fbb h VAL 121 Ca 0.11 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3fbb h VAL 121 Cb 0.43 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3fbb h VAL 121 CO 0.01 0.17 -0.16 -0.78 0.02 0.00 0.00 177.57 176.84 3fbb h ASP 122 N 0.29 -0.38 -0.80 0.57 3.58 -1.23 -2.07 116.42 116.38 3fbb h ASP 122 Ca 0.09 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3fbb h ASP 122 Cb 0.17 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 3fbb h ASP 122 CO -0.01 -0.22 0.44 -0.33 -2.88 0.00 0.00 179.24 176.25 3fbb h GLU 123 N -0.51 1.13 -0.42 0.28 5.08 -0.69 -1.12 114.58 118.32 3fbb h GLU 123 Ca -0.05 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3fbb h GLU 123 Cb 0.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3fbb h GLU 123 CO 0.08 0.83 0.13 0.82 -1.00 0.00 0.00 179.01 179.86 3fbb h ILE 124 N 1.13 1.18 0.00 3.13 2.04 -1.13 -2.52 117.51 121.34 3fbb h ILE 124 Ca 0.29 -0.60 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 3fbb h ILE 124 Cb 0.03 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3fbb h ILE 124 CO -0.05 0.23 -0.73 0.77 0.00 0.00 0.00 178.15 178.37 3fbb h SER 125 N 0.61 0.00 -0.13 1.72 4.64 -0.55 0.28 113.55 120.11 3fbb h SER 125 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3fbb h SER 125 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3fbb h SER 125 CO -0.01 0.73 0.04 0.40 -0.87 0.00 0.00 176.83 177.12 3fbb h ILE 126 N 0.00 1.17 0.00 0.95 2.04 -0.89 -3.05 117.51 117.73 3fbb h ILE 126 Ca -0.01 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.18 3fbb h ILE 126 Cb 1.36 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3fbb h ILE 126 CO 0.09 0.16 -1.51 0.79 0.00 0.00 0.00 178.15 177.68 3fbb n TRP 127 N -4.87 0.80 -3.24 1.37 7.02 -0.98 -4.42 117.44 113.11 3fbb n TRP 127 Ca -0.05 0.26 -0.24 0.00 -1.02 0.00 0.00 57.50 56.44 3fbb n TRP 127 Cb 0.13 -1.01 -0.06 0.00 -2.42 0.00 0.00 31.31 27.95 3fbb n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3fbb n PHE 128 N -2.79 1.54 0.28 -5.99 3.72 0.97 -4.94 117.46 110.25 3fbb n PHE 128 Ca -0.10 -3.84 0.16 0.00 -0.05 0.00 0.00 57.45 53.62 3fbb n PHE 128 Cb 0.81 -0.45 0.72 0.00 -0.94 0.00 0.00 39.48 39.62 3fbb n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fbb h PRO 129 N 3.80 0.00 -2.08 -1.08 0.13 -1.69 -3.20 132.00 127.88 3fbb h PRO 129 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3fbb h PRO 129 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3fbb h PRO 129 CO 0.63 0.04 0.02 -1.91 -0.23 0.00 0.00 178.00 176.55 3fbb n GLU 130 N -3.18 0.51 0.00 0.86 4.07 -1.26 -5.03 120.64 116.61 3fbb n GLU 130 Ca -0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3fbb n GLU 130 Cb 0.29 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 3fbb n GLU 130 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32