#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 3.16 -4.21 0.99 7.94 -1.26 -2.34 117.00 121.28 3fbb n LEU 1 Ca 0.00 1.17 -0.12 0.00 -1.11 0.00 0.00 56.01 55.95 3fbb n LEU 1 Cb 0.00 -1.44 -0.10 0.00 0.53 0.00 0.00 43.42 42.41 3fbb n LEU 1 CO 0.00 -0.56 -0.29 -1.10 -1.11 0.00 0.00 177.39 174.33 3fbb s GLN 2 N -1.02 1.09 0.07 1.96 -0.21 -0.66 -4.82 119.66 116.07 3fbb s GLN 2 Ca 0.63 -1.54 0.09 0.00 0.02 0.00 0.00 55.36 54.55 3fbb s GLN 2 Cb -0.63 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.39 3fbb s GLN 2 CO 0.55 -0.25 -0.24 1.03 -2.12 0.00 0.00 175.29 174.26 3fbb s ARG 3 N -4.03 1.47 0.07 2.91 0.52 -1.26 -1.93 118.95 116.69 3fbb s ARG 3 Ca 0.28 -1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 3fbb s ARG 3 Cb 0.07 -1.70 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 3fbb s ARG 3 CO 0.06 0.42 0.09 -0.08 0.02 0.00 0.00 175.30 175.81 3fbb s THR 4 N -0.91 0.17 -0.18 0.02 -1.32 -0.43 -4.65 115.64 108.34 3fbb s THR 4 Ca 0.10 -1.43 -0.05 0.00 -1.21 0.00 0.00 61.69 59.09 3fbb s THR 4 Cb -0.10 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 3fbb s THR 4 CO 0.03 -0.79 0.00 -0.22 -2.21 0.00 0.00 174.62 171.43 3fbb s LEU 5 N -2.81 3.39 -0.07 9.08 2.96 -1.26 -1.47 118.68 128.51 3fbb s LEU 5 Ca 0.05 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3fbb s LEU 5 Cb 0.06 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3fbb s LEU 5 CO -0.10 0.13 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.17 3fbb s VAL 6 N 0.61 2.53 -0.18 1.68 1.01 0.58 -1.48 120.40 125.15 3fbb s VAL 6 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3fbb s VAL 6 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3fbb s VAL 6 CO 0.02 0.57 -0.05 -0.76 0.00 0.00 0.00 175.10 174.88 3fbb s LEU 7 N -0.22 3.04 -0.25 3.92 1.43 0.55 -1.05 118.68 126.10 3fbb s LEU 7 Ca -0.01 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 3fbb s LEU 7 Cb -0.13 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3fbb s LEU 7 CO 0.03 0.09 0.76 -0.63 0.23 0.00 0.00 176.35 176.84 3fbb s ILE 8 N 0.81 4.88 0.53 -0.59 -1.09 0.21 -0.44 121.20 125.51 3fbb s ILE 8 Ca -0.02 1.39 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 3fbb s ILE 8 Cb -0.15 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3fbb s ILE 8 CO 0.02 -0.06 0.82 -0.54 -1.23 0.00 0.00 174.94 173.94 3fbb s LYS 9 N 2.75 3.13 0.55 2.79 1.02 0.38 -2.31 119.74 128.04 3fbb s LYS 9 Ca 0.32 -0.05 0.22 0.00 0.02 0.00 0.00 55.97 56.48 3fbb s LYS 9 Cb -0.15 -2.36 1.51 0.00 -0.52 0.00 0.00 37.83 36.30 3fbb s LYS 9 CO 0.08 -0.46 2.19 -1.35 -0.92 0.00 0.00 175.35 174.88 3fbb h PRO 10 N 0.06 0.00 0.00 -1.68 0.11 -1.83 -0.06 132.00 128.61 3fbb h PRO 10 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3fbb h PRO 10 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3fbb h PRO 10 CO 0.60 0.01 -0.20 0.38 -0.21 0.00 0.00 178.00 178.59 3fbb h ASP 11 N 0.00 0.00 -0.06 -2.05 2.03 -1.91 -2.22 116.42 112.22 3fbb h ASP 11 Ca -0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.19 3fbb h ASP 11 Cb 0.02 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 3fbb h ASP 11 CO 0.00 0.20 -0.29 0.00 -1.03 0.00 0.00 179.24 178.12 3fbb h ALA 12 N 1.80 1.03 -0.19 4.15 0.00 -1.25 -1.58 119.26 123.22 3fbb h ALA 12 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3fbb h ALA 12 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fbb h ALA 12 CO 0.03 0.58 -0.39 0.74 0.00 0.00 0.00 179.25 180.21 3fbb h PHE 13 N 0.44 0.75 -0.79 0.00 -1.00 -1.49 0.34 116.94 115.21 3fbb h PHE 13 Ca 0.06 -0.28 -0.00 0.00 2.81 0.00 0.00 57.97 60.56 3fbb h PHE 13 Cb 0.73 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.11 3fbb h PHE 13 CO 0.03 1.03 0.47 1.49 -1.61 0.00 0.00 178.31 179.72 3fbb h GLU 14 N 0.26 1.06 -0.28 1.51 4.22 -1.27 -1.77 114.58 118.31 3fbb h GLU 14 Ca 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3fbb h GLU 14 Cb 0.99 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3fbb h GLU 14 CO 0.09 0.74 0.00 0.54 -2.18 0.00 0.00 179.01 178.20 3fbb n ARG 15 N -4.38 2.26 -3.77 1.92 1.74 -0.61 -4.96 116.66 108.87 3fbb n ARG 15 Ca 0.08 -1.90 -0.27 0.00 -0.77 0.00 0.00 57.85 55.00 3fbb n ARG 15 Cb 0.06 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.14 -4.80 -1.29 0.55 7.64 -0.46 -4.91 113.62 111.49 3fbb n SER 16 Ca 0.18 -0.70 0.09 0.00 1.01 0.00 0.00 58.87 59.45 3fbb n SER 16 Cb 0.53 -4.33 0.30 0.00 -1.01 0.00 0.00 64.21 59.70 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 -4.72 4.25 0.05 -3.43 4.77 0.11 -4.72 117.00 113.31 3fbb n LEU 17 Ca -0.02 -2.43 -0.12 0.00 -0.03 0.00 0.00 56.01 53.40 3fbb n LEU 17 Cb 0.56 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3fbb n LEU 17 CO 0.71 0.79 0.82 0.58 -1.33 0.00 0.00 177.39 178.96 3fbb h VAL 18 N 3.34 1.01 -0.44 4.08 2.07 -1.91 -2.15 116.25 122.26 3fbb h VAL 18 Ca 0.00 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 3fbb h VAL 18 Cb 1.30 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3fbb h VAL 18 CO 0.18 0.04 -0.23 0.00 0.02 0.00 0.00 177.57 177.58 3fbb h ALA 19 N 0.84 0.76 -0.47 1.67 0.00 -1.94 -1.99 119.26 118.14 3fbb h ALA 19 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3fbb h ALA 19 Cb 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3fbb h ALA 19 CO 0.01 0.66 0.18 1.49 0.00 0.00 0.00 179.25 181.58 3fbb h GLU 20 N 0.78 0.34 -0.04 0.00 4.57 -1.86 0.35 114.58 118.72 3fbb h GLU 20 Ca 0.10 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3fbb h GLU 20 Cb 0.78 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3fbb h GLU 20 CO 0.06 0.23 -0.02 0.82 -1.18 0.00 0.00 179.01 178.93 3fbb h ILE 21 N 0.36 1.31 -0.28 2.32 2.04 -1.29 -2.18 117.51 119.78 3fbb h ILE 21 Ca 0.22 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 3fbb h ILE 21 Cb 0.21 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3fbb h ILE 21 CO -0.22 0.26 0.00 0.24 0.00 0.00 0.00 178.15 178.44 3fbb h MET 22 N -0.29 0.43 -0.59 2.37 2.86 -1.22 -2.75 114.93 115.74 3fbb h MET 22 Ca 0.01 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3fbb h MET 22 Cb 0.43 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3fbb h MET 22 CO 0.01 0.46 0.07 0.78 1.06 0.00 0.00 176.91 179.28 3fbb h GLY 23 N 0.74 1.07 1.36 8.32 0.00 -0.15 0.75 103.07 115.16 3fbb h GLY 23 Ca 0.09 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.72 3fbb h GLY 23 CO 0.01 0.68 0.36 3.21 0.00 0.00 0.00 176.54 180.79 3fbb h ARG 24 N 0.89 0.59 0.01 4.80 3.08 -1.10 0.28 114.38 122.92 3fbb h ARG 24 Ca 0.18 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 3fbb h ARG 24 Cb 0.46 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3fbb h ARG 24 CO 0.02 0.39 -0.39 0.82 -1.07 0.00 0.00 179.97 179.74 3fbb h ILE 25 N 0.61 1.52 -0.58 2.04 2.04 -1.32 -3.01 117.51 118.80 3fbb h ILE 25 Ca 0.22 -2.05 0.09 0.00 1.00 0.00 0.00 64.86 64.12 3fbb h ILE 25 Cb 0.11 2.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.89 3fbb h ILE 25 CO -0.06 0.57 0.20 -0.08 0.00 0.00 0.00 178.15 178.79 3fbb h GLU 26 N -0.39 0.37 0.00 2.37 4.81 -0.54 -2.18 114.58 119.02 3fbb h GLU 26 Ca -0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3fbb h GLU 26 Cb 1.15 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3fbb h GLU 26 CO 0.08 0.24 -0.09 0.87 -0.73 0.00 0.00 179.01 179.38 3fbb h LYS 27 N 0.38 0.00 -0.20 1.92 1.57 -0.49 0.94 116.57 120.69 3fbb h LYS 27 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3fbb h LYS 27 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3fbb h LYS 27 CO -0.30 0.09 0.00 1.17 -0.57 0.00 0.00 179.45 179.83 3fbb n LYS 28 N -3.52 1.56 -1.58 3.15 4.81 -0.83 -4.91 118.16 116.85 3fbb n LYS 28 Ca -0.02 -0.86 -0.03 0.00 -0.87 0.00 0.00 58.31 56.54 3fbb n LYS 28 Cb 0.22 -1.27 -0.01 0.00 0.02 0.00 0.00 35.03 33.99 3fbb n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbb n ASN 29 N 0.14 -2.42 -4.86 3.14 4.05 0.33 -5.04 115.26 110.60 3fbb n ASN 29 Ca 0.12 0.03 -0.33 0.00 0.45 0.00 0.00 54.58 54.84 3fbb n ASN 29 Cb 0.23 -1.03 -0.06 0.00 1.23 0.00 0.00 39.78 40.16 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 -2.11 3.49 0.01 1.20 0.40 -1.18 -4.91 117.98 114.89 3fbb s PHE 30 Ca 0.00 1.03 0.04 0.00 -0.60 0.00 0.00 56.93 57.40 3fbb s PHE 30 Cb 0.00 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 3fbb s PHE 30 CO 0.00 0.30 -0.07 0.15 0.70 0.00 0.00 175.22 176.30 3fbb s LYS 31 N -2.49 2.51 -0.26 0.44 -0.14 0.07 -4.49 119.74 115.37 3fbb s LYS 31 Ca 0.45 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 54.02 3fbb s LYS 31 Cb -0.13 -2.48 -0.00 0.00 -1.68 0.00 0.00 37.83 33.54 3fbb s LYS 31 CO 0.20 0.59 1.30 0.42 -0.76 0.00 0.00 175.35 177.10 3fbb s ILE 32 N -1.01 4.17 -0.16 2.17 1.01 -1.26 0.06 121.20 126.18 3fbb s ILE 32 Ca 0.17 1.35 0.08 0.00 0.00 0.00 0.00 60.65 62.25 3fbb s ILE 32 Cb -0.11 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.02 3fbb s ILE 32 CO 0.08 -0.38 0.20 0.52 0.00 0.00 0.00 174.94 175.36 3fbb n VAL 33 N 6.00 1.55 -3.82 2.92 0.31 0.24 -4.93 118.33 120.60 3fbb n VAL 33 Ca 0.15 -0.73 -0.12 0.00 -0.01 0.00 0.00 64.34 63.62 3fbb n VAL 33 Cb 0.46 -1.09 -0.11 0.00 -0.91 0.00 0.00 33.84 32.20 3fbb n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fbb s SER 34 N -6.19 -0.13 -0.25 4.52 0.01 -1.13 -4.98 113.70 105.55 3fbb s SER 34 Ca -0.17 0.15 -0.19 0.00 1.31 0.00 0.00 55.95 57.05 3fbb s SER 34 Cb 0.07 0.34 0.07 0.00 0.21 0.00 0.00 66.02 66.72 3fbb s SER 34 CO 0.76 -0.25 0.63 -0.32 0.41 0.00 0.00 173.24 174.48 3fbb s MET 35 N -0.67 0.70 -0.01 12.44 0.00 -1.26 -0.58 119.30 129.92 3fbb s MET 35 Ca -0.08 1.00 0.02 0.00 0.00 0.00 0.00 55.69 56.63 3fbb s MET 35 Cb -0.04 0.24 -0.00 0.00 0.00 0.00 0.00 34.83 35.03 3fbb s MET 35 CO 0.01 -0.12 -0.06 0.15 0.00 0.00 0.00 175.02 175.01 3fbb s LYS 36 N 0.90 0.53 -0.19 4.11 1.02 0.10 -5.00 119.74 121.22 3fbb s LYS 36 Ca -0.05 -0.22 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 3fbb s LYS 36 Cb -0.05 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 3fbb s LYS 36 CO -0.08 0.12 -0.00 0.12 -0.92 0.00 0.00 175.35 174.59 3fbb s PHE 37 N -0.07 3.06 -0.21 3.18 5.36 -1.26 -0.79 117.98 127.25 3fbb s PHE 37 Ca 0.01 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 3fbb s PHE 37 Cb -0.03 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 3fbb s PHE 37 CO -0.00 -0.13 -0.13 -1.58 -1.46 0.00 0.00 175.22 171.92 3fbb s TRP 38 N 0.74 2.90 0.30 10.12 0.52 0.39 -4.99 118.94 128.92 3fbb s TRP 38 Ca 0.00 -1.46 -0.01 0.00 0.02 0.00 0.00 56.10 54.65 3fbb s TRP 38 Cb -0.14 -2.00 0.45 0.00 -1.15 0.00 0.00 33.47 30.63 3fbb s TRP 38 CO 0.02 -0.72 1.92 0.66 0.02 0.00 0.00 176.95 178.85 3fbb h SER 39 N 7.99 0.86 -2.37 2.95 4.64 -1.91 -0.52 113.55 125.18 3fbb h SER 39 Ca -0.41 -0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 60.58 3fbb h SER 39 Cb 1.14 -0.22 -0.34 0.00 -0.31 0.00 0.00 62.40 62.67 3fbb h SER 39 CO 0.61 0.70 -0.57 -0.75 -0.87 0.00 0.00 176.83 175.95 3fbb s LYS 40 N -5.63 0.23 0.28 4.77 2.20 -1.26 -2.92 119.74 117.41 3fbb s LYS 40 Ca -0.11 0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 3fbb s LYS 40 Cb 0.17 -0.87 -0.10 0.00 -1.51 0.00 0.00 37.83 35.52 3fbb s LYS 40 CO 0.79 -0.61 1.39 0.00 -0.36 0.00 0.00 175.35 176.56 3fbb s ALA 41 N 2.40 3.57 0.10 3.13 0.00 -1.26 -4.92 121.76 124.79 3fbb s ALA 41 Ca 0.08 1.30 -0.35 0.00 0.00 0.00 0.00 51.96 52.99 3fbb s ALA 41 Cb -0.15 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 3fbb s ALA 41 CO -0.13 -0.71 1.55 -2.30 0.00 0.00 0.00 175.76 174.17 3fbb n PRO 42 N 1.76 1.86 -0.30 0.00 -0.02 -1.26 -4.87 135.00 132.17 3fbb n PRO 42 Ca 0.04 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 3fbb n PRO 42 Cb 0.41 -2.41 0.31 0.00 -0.02 0.00 0.00 33.50 31.79 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 5.91 0.82 -0.43 -0.52 2.43 -1.98 -2.17 114.38 118.44 3fbb h ARG 43 Ca -0.46 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 58.75 3fbb h ARG 43 Cb 1.28 -0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 3fbb h ARG 43 CO 0.87 0.54 -0.22 -0.97 -1.51 0.00 0.00 179.97 178.68 3fbb h ASN 44 N 0.85 -0.75 -0.66 -3.80 -0.00 -1.99 0.13 115.58 109.35 3fbb h ASN 44 Ca 0.44 0.17 0.04 0.00 -0.00 0.00 0.00 56.30 56.95 3fbb h ASN 44 Cb 0.52 0.40 -0.05 0.00 -0.00 0.00 0.00 38.32 39.19 3fbb h ASN 44 CO -0.20 -0.25 0.39 -0.07 -0.00 0.00 0.00 177.43 177.30 3fbb h LEU 45 N -0.13 0.61 -0.78 0.34 4.07 -1.77 0.62 115.31 118.27 3fbb h LEU 45 Ca 0.21 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.11 3fbb h LEU 45 Cb 0.46 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3fbb h LEU 45 CO -0.52 0.41 0.12 0.40 -1.08 0.00 0.00 178.44 177.77 3fbb h ILE 46 N 0.74 1.26 -0.44 1.22 1.08 -1.25 0.93 117.51 121.04 3fbb h ILE 46 Ca 0.28 -0.98 -0.10 0.00 -0.39 0.00 0.00 64.86 63.67 3fbb h ILE 46 Cb 0.11 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3fbb h ILE 46 CO -0.14 0.37 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.21 3fbb h GLU 47 N 0.98 0.82 0.63 2.37 5.08 -0.15 -1.67 114.58 122.64 3fbb h GLU 47 Ca 0.20 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3fbb h GLU 47 Cb 0.40 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.59 3fbb h GLU 47 CO 0.01 0.91 -0.30 1.96 -1.00 0.00 0.00 179.01 180.58 3fbb h GLN 48 N 0.73 -0.82 -0.93 2.33 4.20 -0.59 -1.83 115.11 118.20 3fbb h GLN 48 Ca 0.12 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.09 3fbb h GLN 48 Cb 0.64 0.19 -0.18 0.00 0.30 0.00 0.00 27.48 28.43 3fbb h GLN 48 CO 0.04 -0.50 -0.15 1.25 -0.67 0.00 0.00 178.83 178.80 3fbb h HIS 49 N -1.04 -0.36 -0.71 2.96 2.76 -0.69 0.27 115.15 118.34 3fbb h HIS 49 Ca -0.09 0.08 -0.25 0.00 -2.20 0.00 0.00 60.37 57.91 3fbb h HIS 49 Cb 0.70 0.31 -0.15 0.00 1.55 0.00 0.00 27.41 29.81 3fbb h HIS 49 CO -0.00 -0.40 0.28 0.66 -1.30 0.00 0.00 177.93 177.17 3fbb n TYR 50 N -5.55 2.31 -0.33 5.26 4.02 -0.64 -4.75 117.16 117.48 3fbb n TYR 50 Ca 0.16 -1.34 0.04 0.00 -0.01 0.00 0.00 57.90 56.75 3fbb n TYR 50 Cb 0.54 -0.69 0.11 0.00 -0.02 0.00 0.00 39.34 39.28 3fbb n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fbb h LYS 51 N 2.12 -0.01 -0.51 -0.72 2.10 0.45 0.25 116.57 120.25 3fbb h LYS 51 Ca 0.31 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 59.11 3fbb h LYS 51 Cb 2.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.61 3fbb h LYS 51 CO 0.73 -0.00 0.40 0.93 -2.00 0.00 0.00 179.45 179.51 3fbb h GLU 52 N -0.01 0.00 -0.03 0.07 3.07 -1.85 0.11 114.58 115.94 3fbb h GLU 52 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3fbb h GLU 52 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3fbb h GLU 52 CO -0.94 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 177.39 3fbb n HIS 53 N -4.21 0.03 0.07 4.33 8.25 0.07 -4.30 115.22 119.46 3fbb n HIS 53 Ca 0.09 -0.02 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 3fbb n HIS 53 Cb 0.62 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.96 3fbb n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fbb n SER 54 N -0.06 0.23 -0.01 0.41 3.41 0.39 -0.42 113.62 117.57 3fbb n SER 54 Ca 0.19 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.45 3fbb n SER 54 Cb 0.29 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 3fbb n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fbb n GLU 55 N -1.80 3.31 -1.40 4.33 4.71 -1.26 -4.94 120.64 123.59 3fbb n GLU 55 Ca -0.01 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.16 56.81 3fbb n GLU 55 Cb 0.03 -1.02 0.09 0.00 -1.01 0.00 0.00 31.44 29.54 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 -2.01 2.09 0.32 3.49 -1.52 0.44 -4.96 119.66 117.51 3fbb s GLN 56 Ca 0.04 0.87 0.05 0.00 -1.95 0.00 0.00 55.36 54.37 3fbb s GLN 56 Cb 0.08 -1.90 0.55 0.00 -0.22 0.00 0.00 33.01 31.52 3fbb s GLN 56 CO 0.44 -1.68 1.80 0.66 -0.25 0.00 0.00 175.29 176.27 3fbb h SER 57 N -1.14 0.41 0.19 5.90 4.64 -1.95 -3.18 113.55 118.42 3fbb h SER 57 Ca -0.46 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3fbb h SER 57 Cb 1.25 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3fbb h SER 57 CO 0.56 0.60 -0.11 0.00 -0.87 0.00 0.00 176.83 177.01 3fbb n TYR 58 N -4.19 0.00 -0.27 4.77 0.18 -1.26 -4.50 117.16 111.90 3fbb n TYR 58 Ca 0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 3fbb n TYR 58 Cb 0.34 -0.10 0.30 0.00 -0.38 0.00 0.00 39.34 39.50 3fbb n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbb h PHE 59 N 1.16 0.93 0.11 -3.48 3.04 -1.76 0.22 116.94 117.16 3fbb h PHE 59 Ca 0.00 0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.70 3fbb h PHE 59 Cb 0.40 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.62 3fbb h PHE 59 CO 0.00 0.45 -1.18 -0.91 -2.02 0.00 0.00 178.31 174.65 3fbb h ASN 60 N 0.88 0.58 -0.23 0.41 2.35 -1.86 -1.68 115.58 116.03 3fbb h ASN 60 Ca 0.39 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3fbb h ASN 60 Cb 0.35 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3fbb h ASN 60 CO -0.16 1.40 -0.10 0.44 -1.65 0.00 0.00 177.43 177.37 3fbb h ASP 61 N 0.16 0.49 -0.37 5.81 3.32 -1.75 -1.08 116.42 123.00 3fbb h ASP 61 Ca -0.14 -0.40 0.07 0.00 0.02 0.00 0.00 57.03 56.58 3fbb h ASP 61 Cb 1.87 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 41.22 3fbb h ASP 61 CO 0.21 0.78 -0.05 0.25 -1.72 0.00 0.00 179.24 178.71 3fbb h LEU 62 N 0.20 -0.25 -0.51 1.55 5.85 -0.59 0.05 115.31 121.60 3fbb h LEU 62 Ca 0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3fbb h LEU 62 Cb 0.58 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3fbb h LEU 62 CO 0.03 -0.08 0.28 0.00 -0.34 0.00 0.00 178.44 178.33 3fbb h ASP 64 N 0.68 0.46 -0.46 0.00 3.32 -0.67 -2.89 116.42 116.87 3fbb h ASP 64 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3fbb h ASP 64 Cb 0.05 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3fbb h ASP 64 CO -0.03 0.32 0.22 0.15 -1.72 0.00 0.00 179.24 178.18 3fbb h PHE 65 N 0.58 0.66 0.00 4.55 3.04 -0.69 -2.14 116.94 122.94 3fbb h PHE 65 Ca 0.22 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3fbb h PHE 65 Cb 0.07 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3fbb h PHE 65 CO -0.08 0.53 0.00 -1.33 -2.02 0.00 0.00 178.31 175.41 3fbb n MET 66 N -4.64 0.03 0.00 1.11 2.81 -0.67 -1.37 117.12 114.39 3fbb n MET 66 Ca 0.01 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 3fbb n MET 66 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3fbb n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3fbb n VAL 67 N -1.44 0.35 1.37 2.03 3.14 -0.92 -4.59 118.33 118.27 3fbb n VAL 67 Ca 0.02 -0.62 0.14 0.00 -2.96 0.00 0.00 64.34 60.92 3fbb n VAL 67 Cb 0.07 0.89 0.59 0.00 -1.06 0.00 0.00 33.84 34.33 3fbb n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fbb n SER 68 N -0.17 0.48 -2.04 6.55 3.41 -0.47 -4.82 113.62 116.56 3fbb n SER 68 Ca 0.00 -0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 58.04 3fbb n SER 68 Cb 0.12 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.30 1.20 3.68 5.00 0.00 -1.26 -5.08 105.19 110.02 3fbb n GLY 69 Ca 0.14 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.03 1.08 -0.03 1.61 0.02 -1.15 -4.57 135.00 129.92 3fbb s PRO 70 Ca 0.10 1.11 -0.10 0.00 0.02 0.00 0.00 61.00 62.13 3fbb s PRO 70 Cb -0.02 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.75 3fbb s PRO 70 CO 0.04 -2.45 0.23 0.42 -0.33 0.00 0.00 177.00 174.91 3fbb s ILE 71 N -2.77 0.05 -0.12 2.83 1.01 -0.20 -3.25 121.20 118.73 3fbb s ILE 71 Ca 0.65 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3fbb s ILE 71 Cb -0.20 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.81 3fbb s ILE 71 CO 0.58 -0.22 -0.22 -0.63 0.00 0.00 0.00 174.94 174.46 3fbb s ILE 72 N -0.87 2.16 -0.18 2.92 1.01 -0.98 -0.46 121.20 124.80 3fbb s ILE 72 Ca -0.10 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3fbb s ILE 72 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3fbb s ILE 72 CO 0.02 0.55 0.05 -0.94 0.00 0.00 0.00 174.94 174.62 3fbb s SER 73 N 0.59 5.54 -0.02 3.58 1.04 0.03 -0.62 113.70 123.84 3fbb s SER 73 Ca -0.12 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.38 3fbb s SER 73 Cb -0.17 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.01 3fbb s SER 73 CO 0.03 0.17 -0.05 -0.63 0.98 0.00 0.00 173.24 173.74 3fbb s ILE 74 N 0.40 0.46 -0.26 -1.02 1.01 -0.22 -0.72 121.20 120.85 3fbb s ILE 74 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 3fbb s ILE 74 Cb -0.13 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3fbb s ILE 74 CO 0.01 0.16 0.13 -0.69 0.00 0.00 0.00 174.94 174.54 3fbb s VAL 75 N 0.25 4.85 -0.08 2.92 1.01 0.25 -0.30 120.40 129.30 3fbb s VAL 75 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3fbb s VAL 75 Cb -0.07 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3fbb s VAL 75 CO -0.00 0.31 0.01 -0.31 0.00 0.00 0.00 175.10 175.10 3fbb s TYR 76 N 1.58 3.16 -0.03 5.22 1.51 -0.54 -0.59 117.35 127.65 3fbb s TYR 76 Ca 0.06 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.38 3fbb s TYR 76 Cb -0.15 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3fbb s TYR 76 CO 0.07 0.47 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.76 3fbb s GLU 77 N -0.97 2.23 0.00 -0.62 2.12 0.11 -1.31 118.70 120.26 3fbb s GLU 77 Ca 0.14 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.61 3fbb s GLU 77 Cb -0.11 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3fbb s GLU 77 CO 0.03 0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 3fbb n GLY 78 N 2.42 1.98 3.68 -1.50 0.00 -0.81 -0.75 105.19 110.21 3fbb n GLY 78 Ca -0.16 -0.93 -0.51 0.00 0.00 0.00 0.00 46.02 44.42 3fbb n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbb n THR 79 N -0.73 0.38 -2.46 2.61 -1.04 -1.26 -1.65 114.28 110.13 3fbb n THR 79 Ca 0.00 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 3fbb n THR 79 Cb 0.00 -1.57 -0.01 0.00 -1.82 0.00 0.00 70.33 66.93 3fbb n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbb n ASP 80 N 5.52 -5.55 -0.31 8.00 4.64 -0.99 -4.86 116.55 123.00 3fbb n ASP 80 Ca 0.22 -0.00 0.10 0.00 -1.38 0.00 0.00 54.79 53.74 3fbb n ASP 80 Cb 0.24 -4.62 0.27 0.00 -1.04 0.00 0.00 41.12 35.97 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 1.00 1.40 0.24 -1.67 0.00 -1.58 -1.52 119.26 117.14 3fbb h ALA 81 Ca -0.46 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3fbb h ALA 81 Cb 1.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3fbb h ALA 81 CO 0.54 -0.17 -0.12 0.82 0.00 0.00 0.00 179.25 180.32 3fbb h ILE 82 N 0.57 0.79 -0.44 0.00 2.04 -1.87 -0.11 117.51 118.50 3fbb h ILE 82 Ca 0.52 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 66.04 3fbb h ILE 82 Cb 0.84 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3fbb h ILE 82 CO -0.42 0.05 -0.23 -1.28 0.00 0.00 0.00 178.15 176.26 3fbb h SER 83 N -0.43 0.96 -0.43 1.72 0.87 -1.82 -2.28 113.55 112.14 3fbb h SER 83 Ca -0.03 -0.41 -0.08 0.00 -1.23 0.00 0.00 61.79 60.04 3fbb h SER 83 Cb 0.33 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3fbb h SER 83 CO 0.06 1.16 -0.03 0.11 -0.53 0.00 0.00 176.83 177.60 3fbb h LYS 84 N 0.76 0.79 -0.18 2.24 1.79 -1.21 -1.72 116.57 119.04 3fbb h LYS 84 Ca 0.09 -0.27 -0.20 0.00 -2.18 0.00 0.00 60.65 58.10 3fbb h LYS 84 Cb 0.81 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3fbb h LYS 84 CO 0.07 0.87 -0.68 0.82 -1.08 0.00 0.00 179.45 179.45 3fbb h ILE 85 N 0.62 1.30 -0.91 1.86 2.04 -1.04 -0.73 117.51 120.65 3fbb h ILE 85 Ca 0.12 -1.92 0.16 0.00 1.00 0.00 0.00 64.86 64.22 3fbb h ILE 85 Cb 0.54 1.89 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 3fbb h ILE 85 CO 0.03 0.60 0.51 0.03 0.00 0.00 0.00 178.15 179.32 3fbb h ARG 86 N 0.51 0.66 -0.31 2.37 2.47 -1.37 0.18 114.38 118.89 3fbb h ARG 86 Ca -0.02 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3fbb h ARG 86 Cb 1.28 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 3fbb h ARG 86 CO 0.14 0.44 0.03 -0.09 0.56 0.00 0.00 179.97 181.05 3fbb h ARG 87 N 0.68 0.52 -0.56 0.04 9.65 -0.78 -0.43 114.38 123.50 3fbb h ARG 87 Ca 0.51 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 59.25 3fbb h ARG 87 Cb 0.75 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 3fbb h ARG 87 CO -0.37 0.63 0.36 1.25 2.80 0.00 0.00 179.97 184.64 3fbb h LEU 88 N 0.34 0.62 -0.17 3.80 5.85 -0.39 -2.70 115.31 122.65 3fbb h LEU 88 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fbb h LEU 88 Cb 0.37 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3fbb h LEU 88 CO 0.01 0.44 0.11 -0.61 -0.34 0.00 0.00 178.44 178.05 3fbb h GLN 89 N 0.74 0.23 0.00 1.25 4.15 -0.49 0.63 115.11 121.62 3fbb h GLN 89 Ca 0.21 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3fbb h GLN 89 Cb -0.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3fbb h GLN 89 CO -0.06 0.17 0.00 0.41 -1.93 0.00 0.00 178.83 177.42 3fbb n GLY 90 N -1.09 2.48 3.51 2.39 0.00 -0.19 -1.25 105.19 111.03 3fbb n GLY 90 Ca -0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3fbb n GLY 90 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fbb n ASN 91 N -0.01 -1.64 0.06 1.61 0.23 -1.26 -4.78 115.26 109.47 3fbb n ASN 91 Ca 0.00 -2.83 0.11 0.00 -0.53 0.00 0.00 54.58 51.33 3fbb n ASN 91 Cb 0.00 2.93 0.44 0.00 -2.08 0.00 0.00 39.78 41.07 3fbb n ASN 91 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3fbb n ILE 92 N -0.57 0.68 0.93 1.53 -0.00 -1.26 -1.43 119.36 119.24 3fbb n ILE 92 Ca -0.02 0.10 0.10 0.00 -0.00 0.00 0.00 62.75 62.92 3fbb n ILE 92 Cb 0.59 -0.88 -0.09 0.00 -0.00 0.00 0.00 39.64 39.26 3fbb n ILE 92 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3fbb n LEU 93 N -1.88 1.14 -4.12 1.39 4.77 -1.26 -4.71 117.00 112.32 3fbb n LEU 93 Ca 0.04 -0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 3fbb n LEU 93 Cb 0.27 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 3fbb n LEU 93 CO 0.21 0.26 -0.14 -0.89 -1.33 0.00 0.00 177.39 175.50 3fbb s THR 94 N -2.76 3.40 0.55 -5.08 2.01 -0.68 -5.03 115.64 108.05 3fbb s THR 94 Ca 0.09 -2.11 -0.21 0.00 0.31 0.00 0.00 61.69 59.78 3fbb s THR 94 Cb 0.15 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3fbb s THR 94 CO 0.75 -0.71 1.27 -2.84 -0.69 0.00 0.00 174.62 172.39 3fbb s PRO 95 N 1.06 3.14 0.00 4.92 0.02 -1.26 -2.95 135.00 139.93 3fbb s PRO 95 Ca 0.09 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3fbb s PRO 95 Cb -0.23 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3fbb s PRO 95 CO -0.04 -1.11 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 3fbb n GLY 96 N 0.62 3.04 3.98 0.52 0.00 -1.26 -4.95 105.19 107.15 3fbb n GLY 96 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.84 3.20 0.09 2.61 -4.23 -1.15 -4.92 115.64 108.39 3fbb s THR 97 Ca 0.00 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 3fbb s THR 97 Cb 0.00 -3.14 -0.14 0.00 1.34 0.00 0.00 72.50 70.56 3fbb s THR 97 CO 0.00 -0.08 1.65 0.40 -0.54 0.00 0.00 174.62 176.05 3fbb h ILE 98 N 0.42 0.49 -0.18 2.99 2.04 -0.92 0.67 117.51 123.02 3fbb h ILE 98 Ca -0.43 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3fbb h ILE 98 Cb 1.28 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3fbb h ILE 98 CO 0.51 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 178.40 3fbb h ARG 99 N -0.56 0.34 -0.45 2.37 3.08 -1.40 -1.23 114.38 116.54 3fbb h ARG 99 Ca -0.02 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 3fbb h ARG 99 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3fbb h ARG 99 CO -0.01 0.60 -0.09 0.78 -1.07 0.00 0.00 179.97 180.17 3fbb h GLY 100 N 1.04 0.87 0.90 0.04 0.00 -0.90 -2.15 103.07 102.87 3fbb h GLY 100 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 47.33 46.42 3fbb h GLY 100 CO 0.05 0.60 -1.77 1.22 0.00 0.00 0.00 176.54 176.64 3fbb n ASP 101 N -4.17 0.93 -0.00 0.19 8.00 0.20 -4.40 116.55 117.31 3fbb n ASP 101 Ca 0.02 0.38 0.01 0.00 0.71 0.00 0.00 54.79 55.90 3fbb n ASP 101 Cb 0.36 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 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 -3.07 0.04 -4.40 0.64 4.77 -0.48 -5.05 117.00 109.46 3fbb n LEU 102 Ca -0.19 -0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 3fbb n LEU 102 Cb 1.06 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.05 3fbb n LEU 102 CO 0.45 0.01 -0.46 0.00 -1.33 0.00 0.00 177.39 176.05 3fbb s ALA 103 N -1.35 2.33 0.00 -1.18 0.00 -0.81 -5.03 121.76 115.72 3fbb s ALA 103 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.32 3fbb s ALA 103 Cb 0.01 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.11 3fbb s ALA 103 CO 0.05 0.18 1.02 -1.71 0.00 0.00 0.00 175.76 175.30 3fbb n ASN 104 N -0.39 -0.16 -4.01 0.00 5.15 -1.26 -4.74 115.26 109.85 3fbb n ASN 104 Ca -0.07 -1.92 -0.09 0.00 -0.60 0.00 0.00 54.58 51.89 3fbb n ASN 104 Cb 0.60 0.04 -0.11 0.00 -0.53 0.00 0.00 39.78 39.78 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 -1.28 0.36 0.11 1.20 -1.08 -1.26 -5.03 116.67 109.70 3fbb s ASP 105 Ca 0.12 -0.57 0.27 0.00 -0.52 0.00 0.00 52.55 51.86 3fbb s ASP 105 Cb 0.14 0.10 0.96 0.00 -1.46 0.00 0.00 42.92 42.66 3fbb s ASP 105 CO -0.06 -0.32 1.81 2.30 0.52 0.00 0.00 175.17 179.42 3fbb n ILE 106 N 1.40 0.32 -0.09 4.11 -0.00 -1.26 -4.20 119.36 119.64 3fbb n ILE 106 Ca -0.23 -0.16 -0.13 0.00 -0.00 0.00 0.00 62.75 62.23 3fbb n ILE 106 Cb 0.56 -0.50 -0.04 0.00 -0.00 0.00 0.00 39.64 39.65 3fbb n ILE 106 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3fbb n GLY 107 N 1.40 -0.45 3.48 3.28 0.00 -1.26 -4.83 105.19 106.80 3fbb n GLY 107 Ca 0.06 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.70 3.60 -0.07 1.61 2.02 -1.26 -4.74 118.70 117.17 3fbb s GLU 108 Ca -0.28 -1.62 0.10 0.00 0.02 0.00 0.00 54.97 53.19 3fbb s GLU 108 Cb 0.06 -5.02 0.17 0.00 0.10 0.00 0.00 34.13 29.45 3fbb s GLU 108 CO 0.39 -1.87 1.09 0.27 0.02 0.00 0.00 175.26 175.15 3fbb n ASN 109 N 7.08 1.14 0.00 -0.19 0.23 -1.26 -4.12 115.26 118.14 3fbb n ASN 109 Ca 0.26 -2.57 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 3fbb n ASN 109 Cb 0.49 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.63 0.00 -3.75 -4.53 4.77 -1.26 -4.79 117.00 106.81 3fbb n LEU 110 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3fbb n LEU 110 Cb 0.70 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 3fbb n LEU 110 CO -0.00 0.00 0.02 -0.51 -1.33 0.00 0.00 177.39 175.57 3fbb s ILE 111 N -0.08 0.01 -0.06 -0.08 2.07 -1.26 -0.47 121.20 121.32 3fbb s ILE 111 Ca 0.00 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.20 3fbb s ILE 111 Cb 0.00 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3fbb s ILE 111 CO 0.00 -0.04 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.57 3fbb s HIS 112 N -0.05 2.71 -0.01 3.50 5.65 0.41 -4.94 115.29 122.56 3fbb s HIS 112 Ca -0.02 -0.24 0.03 0.00 0.25 0.00 0.00 55.06 55.08 3fbb s HIS 112 Cb -0.03 -1.66 -0.01 0.00 -1.18 0.00 0.00 32.58 29.71 3fbb s HIS 112 CO 0.01 0.12 -0.11 0.00 -0.65 0.00 0.00 174.74 174.11 3fbb s ALA 113 N -0.56 0.91 0.47 1.58 0.00 -1.26 -0.33 121.76 122.57 3fbb s ALA 113 Ca 0.08 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 3fbb s ALA 113 Cb -0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 3fbb s ALA 113 CO 0.01 0.21 1.21 0.43 0.00 0.00 0.00 175.76 177.62 3fbb n SER 114 N 2.89 2.17 -0.94 0.00 7.64 -0.55 -4.92 113.62 119.91 3fbb n SER 114 Ca -0.14 1.04 0.08 0.00 1.01 0.00 0.00 58.87 60.85 3fbb n SER 114 Cb 0.56 -1.48 0.23 0.00 -1.01 0.00 0.00 64.21 62.51 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 -0.09 3.47 -3.59 6.43 5.75 -1.26 -4.66 116.55 122.59 3fbb n ASP 115 Ca 0.09 -2.14 -0.05 0.00 -0.01 0.00 0.00 54.79 52.67 3fbb n ASP 115 Cb 0.41 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3fbb n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbb s SER 116 N -1.08 -0.17 0.36 -1.12 1.04 -1.26 -5.01 113.70 106.47 3fbb s SER 116 Ca 0.34 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.87 3fbb s SER 116 Cb 0.20 0.17 0.68 0.00 0.10 0.00 0.00 66.02 67.16 3fbb s SER 116 CO 0.20 -0.25 1.94 -0.33 0.98 0.00 0.00 173.24 175.78 3fbb h GLU 117 N 2.07 0.55 -0.02 4.02 5.08 -1.96 0.25 114.58 124.57 3fbb h GLU 117 Ca -0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3fbb h GLU 117 Cb 1.17 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3fbb h GLU 117 CO 0.24 0.49 0.01 -0.44 -1.00 0.00 0.00 179.01 178.31 3fbb h ASP 118 N 0.54 0.03 0.75 1.42 3.32 -2.01 -2.64 116.42 117.84 3fbb h ASP 118 Ca 0.13 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3fbb h ASP 118 Cb 0.18 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3fbb h ASP 118 CO -0.01 0.21 -0.35 0.77 -1.72 0.00 0.00 179.24 178.15 3fbb h SER 119 N -0.16 0.00 0.03 6.45 4.64 -1.87 -2.84 113.55 119.80 3fbb h SER 119 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbb h SER 119 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3fbb h SER 119 CO -0.00 0.35 -0.01 0.00 -0.87 0.00 0.00 176.83 176.30 3fbb h ALA 120 N 1.65 -0.03 -0.19 5.18 0.00 -0.85 0.23 119.26 125.24 3fbb h ALA 120 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3fbb h ALA 120 Cb 0.82 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3fbb h ALA 120 CO 0.05 -0.38 -0.04 0.28 0.00 0.00 0.00 179.25 179.16 3fbb h VAL 121 N -0.31 0.82 -0.16 0.00 2.07 -1.45 0.25 116.25 117.46 3fbb h VAL 121 Ca -0.00 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3fbb h VAL 121 Cb 0.29 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3fbb h VAL 121 CO 0.01 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.80 3fbb h ASP 122 N 0.01 0.29 -0.40 0.57 3.58 -1.50 -2.07 116.42 116.91 3fbb h ASP 122 Ca 0.09 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 3fbb h ASP 122 Cb 0.14 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3fbb h ASP 122 CO -0.19 0.56 0.12 -0.33 -2.88 0.00 0.00 179.24 176.52 3fbb h GLU 123 N 0.02 0.70 -0.41 0.28 5.08 -0.38 -1.28 114.58 118.58 3fbb h GLU 123 Ca 0.04 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3fbb h GLU 123 Cb 0.42 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3fbb h GLU 123 CO 0.01 0.63 -0.09 0.82 -1.00 0.00 0.00 179.01 179.38 3fbb h ILE 124 N 0.68 1.25 0.00 3.13 2.04 -0.36 -2.70 117.51 121.55 3fbb h ILE 124 Ca 0.16 -1.09 -0.14 0.00 1.00 0.00 0.00 64.86 64.79 3fbb h ILE 124 Cb 0.24 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3fbb h ILE 124 CO -0.00 0.37 -0.65 0.77 0.00 0.00 0.00 178.15 178.64 3fbb h SER 125 N 0.65 0.00 -0.21 1.72 4.64 -1.02 0.37 113.55 119.70 3fbb h SER 125 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3fbb h SER 125 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3fbb h SER 125 CO 0.03 0.65 0.05 0.40 -0.87 0.00 0.00 176.83 177.09 3fbb h ILE 126 N 0.00 1.20 0.00 0.95 2.04 -1.08 -3.29 117.51 117.33 3fbb h ILE 126 Ca -0.01 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 3fbb h ILE 126 Cb 1.27 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3fbb h ILE 126 CO 0.08 0.20 -1.50 0.79 0.00 0.00 0.00 178.15 177.73 3fbb n TRP 127 N -4.77 0.68 -3.49 1.37 7.02 -1.03 -4.72 117.44 112.50 3fbb n TRP 127 Ca -0.04 0.21 -0.28 0.00 -1.02 0.00 0.00 57.50 56.37 3fbb n TRP 127 Cb 0.17 -0.91 -0.11 0.00 -2.42 0.00 0.00 31.31 28.03 3fbb n TRP 127 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3fbb s PHE 128 N -3.15 1.17 -2.63 -5.99 0.08 0.13 -5.04 117.98 102.55 3fbb s PHE 128 Ca -0.04 -2.10 0.21 0.00 0.12 0.00 0.00 56.93 55.12 3fbb s PHE 128 Cb 0.10 -1.13 0.17 0.00 -0.57 0.00 0.00 43.02 41.59 3fbb s PHE 128 CO 0.83 -0.81 1.17 -0.35 -0.10 0.00 0.00 175.22 175.96