#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbb s LEU 1 N 0.00 4.19 0.20 0.99 1.43 -1.26 -2.46 118.68 121.78 3fbb s LEU 1 Ca 0.00 2.86 0.03 0.00 -1.03 0.00 0.00 54.13 55.99 3fbb s LEU 1 Cb 0.00 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 3fbb s LEU 1 CO 0.00 -1.00 -0.03 -1.10 0.23 0.00 0.00 176.35 174.45 3fbb s GLN 2 N -2.30 1.23 0.15 1.70 -0.21 -0.42 -4.82 119.66 115.00 3fbb s GLN 2 Ca 0.58 -1.60 0.11 0.00 0.02 0.00 0.00 55.36 54.47 3fbb s GLN 2 Cb -0.42 -0.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.98 3fbb s GLN 2 CO 0.55 -0.06 -0.25 1.03 -2.12 0.00 0.00 175.29 174.44 3fbb s ARG 3 N -3.84 1.48 0.07 2.91 0.52 -1.26 -2.17 118.95 116.66 3fbb s ARG 3 Ca 0.25 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.97 3fbb s ARG 3 Cb 0.05 -1.90 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 3fbb s ARG 3 CO 0.06 0.43 0.17 -0.08 0.02 0.00 0.00 175.30 175.90 3fbb s THR 4 N -1.32 0.14 -0.19 0.02 -1.32 -0.65 -4.66 115.64 107.67 3fbb s THR 4 Ca 0.17 -1.18 -0.06 0.00 -1.21 0.00 0.00 61.69 59.41 3fbb s THR 4 Cb -0.09 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 3fbb s THR 4 CO 0.08 -0.65 0.03 -0.22 -2.21 0.00 0.00 174.62 171.65 3fbb s LEU 5 N -2.68 3.57 -0.07 9.08 2.96 -1.26 -1.50 118.68 128.78 3fbb s LEU 5 Ca 0.03 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 3fbb s LEU 5 Cb 0.04 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3fbb s LEU 5 CO -0.09 0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 3fbb s VAL 6 N 0.64 3.01 -0.12 1.68 1.01 0.60 -1.68 120.40 125.54 3fbb s VAL 6 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3fbb s VAL 6 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3fbb s VAL 6 CO 0.02 0.58 -0.12 -0.76 0.00 0.00 0.00 175.10 174.81 3fbb s LEU 7 N -0.49 2.79 -0.29 3.92 1.43 -0.43 -0.12 118.68 125.49 3fbb s LEU 7 Ca 0.06 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 3fbb s LEU 7 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3fbb s LEU 7 CO 0.02 0.19 0.74 -0.63 0.23 0.00 0.00 176.35 176.90 3fbb s ILE 8 N 0.18 4.86 0.72 -0.59 -1.09 0.49 -0.17 121.20 125.62 3fbb s ILE 8 Ca -0.07 1.18 -0.10 0.00 -2.23 0.00 0.00 60.65 59.44 3fbb s ILE 8 Cb -0.15 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 3fbb s ILE 8 CO 0.05 -0.15 1.08 -0.54 -1.23 0.00 0.00 174.94 174.14 3fbb s LYS 9 N 2.79 2.39 0.49 2.79 1.02 0.58 -2.44 119.74 127.36 3fbb s LYS 9 Ca 0.30 0.09 0.19 0.00 0.02 0.00 0.00 55.97 56.57 3fbb s LYS 9 Cb -0.15 -2.07 1.21 0.00 -0.52 0.00 0.00 37.83 36.30 3fbb s LYS 9 CO 0.11 -1.23 2.05 -1.35 -0.92 0.00 0.00 175.35 174.01 3fbb h PRO 10 N -0.71 0.00 -0.08 -1.68 0.11 -1.84 -1.75 132.00 126.05 3fbb h PRO 10 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3fbb h PRO 10 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3fbb h PRO 10 CO 0.63 0.13 -0.11 0.38 -0.21 0.00 0.00 178.00 178.82 3fbb h ASP 11 N 0.00 0.11 -0.75 -2.05 2.03 -1.90 -2.17 116.42 111.69 3fbb h ASP 11 Ca -0.00 -0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.24 3fbb h ASP 11 Cb 0.25 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 38.69 3fbb h ASP 11 CO 0.02 0.24 0.32 0.00 -1.03 0.00 0.00 179.24 178.78 3fbb h ALA 12 N 1.78 1.13 -0.15 4.15 0.00 -1.57 -0.86 119.26 123.75 3fbb h ALA 12 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fbb h ALA 12 Cb 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fbb h ALA 12 CO 0.02 0.63 -0.08 0.74 0.00 0.00 0.00 179.25 180.56 3fbb h PHE 13 N 1.10 0.36 -0.83 0.00 -1.00 -1.49 0.18 116.94 115.25 3fbb h PHE 13 Ca 0.26 -0.09 0.03 0.00 2.81 0.00 0.00 57.97 60.97 3fbb h PHE 13 Cb 0.18 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.61 3fbb h PHE 13 CO 0.02 0.65 0.54 1.49 -1.61 0.00 0.00 178.31 179.39 3fbb h GLU 14 N -0.03 1.02 -0.26 1.51 4.22 -1.34 -2.39 114.58 117.31 3fbb h GLU 14 Ca 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3fbb h GLU 14 Cb 0.55 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3fbb h GLU 14 CO 0.02 0.68 0.00 0.54 -2.18 0.00 0.00 179.01 178.07 3fbb n ARG 15 N -4.56 1.97 -2.79 1.92 1.74 -0.33 -4.94 116.66 109.66 3fbb n ARG 15 Ca 0.10 -1.47 -0.20 0.00 -0.77 0.00 0.00 57.85 55.51 3fbb n ARG 15 Cb 0.07 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.69 -5.70 -1.34 0.55 7.64 -0.44 -4.90 113.62 110.12 3fbb n SER 16 Ca 0.17 -0.20 0.09 0.00 1.01 0.00 0.00 58.87 59.94 3fbb n SER 16 Cb 0.41 -4.58 0.31 0.00 -1.01 0.00 0.00 64.21 59.34 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 -3.45 4.24 -0.02 -3.43 4.77 0.51 -4.60 117.00 115.03 3fbb n LEU 17 Ca -0.14 -2.32 -0.11 0.00 -0.03 0.00 0.00 56.01 53.42 3fbb n LEU 17 Cb 0.63 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3fbb n LEU 17 CO 0.39 0.83 0.91 0.58 -1.33 0.00 0.00 177.39 178.77 3fbb h VAL 18 N 3.66 1.05 -0.17 4.08 2.07 -1.90 -1.30 116.25 123.74 3fbb h VAL 18 Ca 0.00 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3fbb h VAL 18 Cb 1.24 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3fbb h VAL 18 CO 0.14 0.05 -0.46 0.00 0.02 0.00 0.00 177.57 177.32 3fbb h ALA 19 N 1.02 0.89 -0.28 1.67 0.00 -1.94 -2.39 119.26 118.24 3fbb h ALA 19 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3fbb h ALA 19 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3fbb h ALA 19 CO -0.01 0.65 0.17 1.49 0.00 0.00 0.00 179.25 181.55 3fbb h GLU 20 N 0.34 0.34 -0.03 0.00 4.57 -1.76 0.10 114.58 118.13 3fbb h GLU 20 Ca 0.02 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3fbb h GLU 20 Cb 0.94 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 3fbb h GLU 20 CO 0.08 0.22 -0.01 0.82 -1.18 0.00 0.00 179.01 178.95 3fbb h ILE 21 N 0.35 1.29 -0.44 2.32 2.04 -1.15 -2.56 117.51 119.35 3fbb h ILE 21 Ca 0.11 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3fbb h ILE 21 Cb -0.01 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3fbb h ILE 21 CO -0.04 0.24 0.30 0.24 0.00 0.00 0.00 178.15 178.88 3fbb h MET 22 N -0.29 0.47 -0.41 2.37 2.86 -1.43 -2.77 114.93 115.74 3fbb h MET 22 Ca 0.01 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3fbb h MET 22 Cb 0.39 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3fbb h MET 22 CO 0.00 0.31 -0.19 0.78 1.06 0.00 0.00 176.91 178.88 3fbb h GLY 23 N 0.49 0.86 1.20 8.32 0.00 -0.61 0.31 103.07 113.63 3fbb h GLY 23 Ca 0.18 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3fbb h GLY 23 CO -0.04 0.65 -0.15 3.21 0.00 0.00 0.00 176.54 180.20 3fbb h ARG 24 N 0.70 0.93 -0.28 4.80 3.08 -1.18 0.13 114.38 122.55 3fbb h ARG 24 Ca 0.10 -0.35 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 3fbb h ARG 24 Cb 0.70 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3fbb h ARG 24 CO 0.05 1.01 -0.47 0.82 -1.07 0.00 0.00 179.97 180.31 3fbb h ILE 25 N 0.82 1.29 -0.74 2.04 2.04 -1.35 -2.96 117.51 118.64 3fbb h ILE 25 Ca 0.12 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 3fbb h ILE 25 Cb 0.69 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3fbb h ILE 25 CO 0.05 0.54 0.41 -0.08 0.00 0.00 0.00 178.15 179.07 3fbb h GLU 26 N 0.60 1.04 0.00 2.37 4.81 -0.60 -2.96 114.58 119.83 3fbb h GLU 26 Ca 0.03 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3fbb h GLU 26 Cb 1.04 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 3fbb h GLU 26 CO 0.10 0.77 -0.03 0.87 -0.73 0.00 0.00 179.01 180.00 3fbb h LYS 27 N 1.03 0.00 -0.09 1.92 1.57 -0.69 -1.79 116.57 118.53 3fbb h LYS 27 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3fbb h LYS 27 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3fbb h LYS 27 CO -0.04 0.03 0.00 1.17 -0.57 0.00 0.00 179.45 180.03 3fbb n LYS 28 N -3.12 1.33 -1.05 3.15 4.81 -1.12 -4.94 118.16 117.21 3fbb n LYS 28 Ca 0.01 -0.50 0.00 0.00 -0.87 0.00 0.00 58.31 56.95 3fbb n LYS 28 Cb 0.36 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.10 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 -0.26 -2.58 -4.84 3.14 4.05 -0.67 -5.05 115.26 109.05 3fbb n ASN 29 Ca 0.14 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.83 3fbb n ASN 29 Cb 0.18 -0.47 -0.06 0.00 1.23 0.00 0.00 39.78 40.66 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 3.44 -0.05 1.20 0.40 -1.18 -4.88 117.98 114.91 3fbb s PHE 30 Ca 0.00 1.27 0.05 0.00 -0.60 0.00 0.00 56.93 57.64 3fbb s PHE 30 Cb 0.00 -2.56 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 3fbb s PHE 30 CO 0.00 0.15 -0.18 0.15 0.70 0.00 0.00 175.22 176.05 3fbb s LYS 31 N -2.73 2.45 -0.09 0.44 -0.14 -0.21 -4.58 119.74 114.88 3fbb s LYS 31 Ca 0.51 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 3fbb s LYS 31 Cb -0.12 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 3fbb s LYS 31 CO 0.18 0.58 1.39 0.42 -0.76 0.00 0.00 175.35 177.17 3fbb s ILE 32 N -0.63 3.96 -0.26 2.17 1.01 -1.26 0.08 121.20 126.26 3fbb s ILE 32 Ca 0.09 1.22 0.02 0.00 0.00 0.00 0.00 60.65 61.98 3fbb s ILE 32 Cb -0.11 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.41 3fbb s ILE 32 CO 0.00 -0.07 -0.23 0.52 0.00 0.00 0.00 174.94 175.16 3fbb n VAL 33 N 5.17 1.49 -3.95 2.92 0.31 0.49 -4.93 118.33 119.83 3fbb n VAL 33 Ca 0.14 -0.57 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 3fbb n VAL 33 Cb 0.44 -1.43 -0.11 0.00 -0.91 0.00 0.00 33.84 31.83 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 -6.54 0.17 -0.23 4.52 0.01 -1.11 -4.98 113.70 105.53 3fbb s SER 34 Ca -0.35 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 56.38 3fbb s SER 34 Cb 0.09 0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.49 3fbb s SER 34 CO 0.60 -0.26 0.58 -0.32 0.41 0.00 0.00 173.24 174.25 3fbb s MET 35 N -1.18 0.63 -0.01 12.44 0.00 -1.26 -0.18 119.30 129.74 3fbb s MET 35 Ca -0.13 0.95 0.05 0.00 0.00 0.00 0.00 55.69 56.55 3fbb s MET 35 Cb -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 34.83 34.93 3fbb s MET 35 CO -0.01 -0.12 -0.15 0.15 0.00 0.00 0.00 175.02 174.89 3fbb s LYS 36 N 0.99 1.21 -0.22 4.11 1.02 -0.05 -5.01 119.74 121.79 3fbb s LYS 36 Ca -0.05 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 3fbb s LYS 36 Cb -0.05 -1.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 3fbb s LYS 36 CO -0.09 0.32 0.15 0.12 -0.92 0.00 0.00 175.35 174.93 3fbb s PHE 37 N -0.38 3.36 -0.30 3.18 5.36 -1.26 -0.96 117.98 126.98 3fbb s PHE 37 Ca 0.06 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 3fbb s PHE 37 Cb -0.06 -2.22 0.07 0.00 -0.34 0.00 0.00 43.02 40.47 3fbb s PHE 37 CO -0.00 0.17 -0.02 -1.58 -1.46 0.00 0.00 175.22 172.32 3fbb s TRP 38 N 0.75 3.40 0.35 10.12 0.52 0.01 -4.97 118.94 129.12 3fbb s TRP 38 Ca 0.08 -2.34 0.06 0.00 0.02 0.00 0.00 56.10 53.92 3fbb s TRP 38 Cb -0.12 -2.30 0.74 0.00 -1.15 0.00 0.00 33.47 30.64 3fbb s TRP 38 CO 0.02 -0.88 1.93 0.66 0.02 0.00 0.00 176.95 178.70 3fbb h SER 39 N 7.83 0.68 -2.74 2.95 4.64 -1.91 -0.65 113.55 124.35 3fbb h SER 39 Ca -0.16 0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 60.92 3fbb h SER 39 Cb 1.04 -0.13 -0.34 0.00 -0.31 0.00 0.00 62.40 62.67 3fbb h SER 39 CO 0.52 0.42 -0.57 -0.75 -0.87 0.00 0.00 176.83 175.58 3fbb s LYS 40 N -5.69 0.16 0.25 4.77 2.20 -1.26 -2.81 119.74 117.35 3fbb s LYS 40 Ca -0.10 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 3fbb s LYS 40 Cb 0.20 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.03 3fbb s LYS 40 CO 0.78 -0.41 1.19 0.00 -0.36 0.00 0.00 175.35 176.56 3fbb s ALA 41 N 2.39 3.45 0.32 3.13 0.00 -1.26 -4.98 121.76 124.81 3fbb s ALA 41 Ca 0.04 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3fbb s ALA 41 Cb -0.13 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 3fbb s ALA 41 CO -0.10 -0.36 1.52 -2.14 0.00 0.00 0.00 175.76 174.68 3fbb s PRO 42 N -0.95 4.15 0.38 0.00 0.02 -1.26 -4.86 135.00 132.48 3fbb s PRO 42 Ca 0.49 2.52 0.07 0.00 0.02 0.00 0.00 61.00 64.10 3fbb s PRO 42 Cb -0.34 -3.01 0.76 0.00 0.02 0.00 0.00 34.50 31.92 3fbb s PRO 42 CO 0.41 -0.55 1.97 -0.09 -0.33 0.00 0.00 177.00 178.42 3fbb h ARG 43 N 4.09 0.48 -0.52 5.54 2.43 -1.97 -2.54 114.38 121.88 3fbb h ARG 43 Ca -0.48 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 3fbb h ARG 43 Cb 1.23 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3fbb h ARG 43 CO 0.73 0.43 0.03 -2.95 -1.51 0.00 0.00 179.97 176.70 3fbb h ASN 44 N 0.47 0.82 0.12 -3.80 -1.07 -1.98 0.57 115.58 110.71 3fbb h ASN 44 Ca 0.11 -0.19 0.02 0.00 0.07 0.00 0.00 56.30 56.31 3fbb h ASN 44 Cb 0.16 -0.22 -0.04 0.00 -2.07 0.00 0.00 38.32 36.15 3fbb h ASN 44 CO -0.01 0.86 -0.33 -0.07 0.07 0.00 0.00 177.43 177.96 3fbb h LEU 45 N 0.80 -0.95 -0.75 6.14 4.07 -1.84 0.21 115.31 122.99 3fbb h LEU 45 Ca 0.16 0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.33 3fbb h LEU 45 Cb 0.44 0.36 -0.07 0.00 1.08 0.00 0.00 40.66 42.46 3fbb h LEU 45 CO 0.02 -0.42 0.38 0.40 -1.08 0.00 0.00 178.44 177.74 3fbb h ILE 46 N -0.55 0.85 -0.44 1.22 1.08 -1.32 0.47 117.51 118.81 3fbb h ILE 46 Ca 0.03 -0.22 -0.13 0.00 -0.39 0.00 0.00 64.86 64.15 3fbb h ILE 46 Cb 0.59 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3fbb h ILE 46 CO -0.19 0.12 -0.23 -0.33 -0.69 0.00 0.00 178.15 176.83 3fbb h GLU 47 N 0.64 0.91 0.19 2.37 5.08 -0.62 -0.82 114.58 122.32 3fbb h GLU 47 Ca 0.37 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3fbb h GLU 47 Cb 0.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3fbb h GLU 47 CO -0.27 1.04 -0.23 1.96 -1.00 0.00 0.00 179.01 180.50 3fbb h GLN 48 N 0.79 -0.45 -0.83 2.33 4.20 -0.23 -0.66 115.11 120.26 3fbb h GLN 48 Ca 0.10 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.99 3fbb h GLN 48 Cb 0.78 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.57 3fbb h GLN 48 CO 0.06 -0.30 0.41 1.25 -0.67 0.00 0.00 178.83 179.58 3fbb h HIS 49 N -0.47 0.71 -0.53 2.96 2.76 -0.70 -1.68 115.15 118.21 3fbb h HIS 49 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3fbb h HIS 49 Cb 0.46 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3fbb h HIS 49 CO -0.18 0.16 0.00 0.66 -1.30 0.00 0.00 177.93 177.26 3fbb n TYR 50 N -4.90 1.87 0.16 5.26 0.53 -0.33 -4.70 117.16 115.05 3fbb n TYR 50 Ca 0.16 -0.75 0.16 0.00 -1.02 0.00 0.00 57.90 56.46 3fbb n TYR 50 Cb 0.43 -0.47 0.76 0.00 -1.03 0.00 0.00 39.34 39.02 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 3.63 0.00 0.00 -0.72 2.10 -0.12 0.69 116.57 122.15 3fbb h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fbb h LYS 51 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 3fbb h LYS 51 CO 0.44 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.28 3fbb n GLU 52 N -4.10 0.03 0.00 0.07 1.02 -1.26 -2.58 120.64 113.83 3fbb n GLU 52 Ca 0.03 0.28 0.07 0.00 -0.02 0.00 0.00 57.16 57.52 3fbb n GLU 52 Cb 0.36 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3fbb n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fbb n HIS 53 N -1.46 0.00 -0.04 -0.32 8.25 0.24 -4.67 115.22 117.22 3fbb n HIS 53 Ca 0.03 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.72 3fbb n HIS 53 Cb 0.13 0.00 0.71 0.00 1.12 0.00 0.00 29.99 31.94 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 2.17 0.00 0.07 0.41 4.64 -1.48 0.43 113.55 119.79 3fbb h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbb h SER 54 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3fbb h SER 54 CO 0.00 0.00 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.22 3fbb n GLU 55 N -4.30 1.40 -1.90 4.77 -0.58 -1.26 -4.89 120.64 113.88 3fbb n GLU 55 Ca 0.12 -0.89 -0.31 0.00 -0.42 0.00 0.00 57.16 55.66 3fbb n GLU 55 Cb 0.71 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 30.11 3fbb n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3fbb s GLN 56 N -2.21 3.58 0.40 3.49 -1.52 0.14 -4.97 119.66 118.57 3fbb s GLN 56 Ca 0.31 0.79 0.20 0.00 -1.95 0.00 0.00 55.36 54.71 3fbb s GLN 56 Cb 0.20 -2.08 0.79 0.00 -0.22 0.00 0.00 33.01 31.70 3fbb s GLN 56 CO 0.41 -0.59 1.78 0.66 -0.25 0.00 0.00 175.29 177.31 3fbb h SER 57 N -0.21 0.00 0.23 5.90 4.64 -1.92 -3.02 113.55 119.17 3fbb h SER 57 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3fbb h SER 57 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fbb h SER 57 CO 0.61 0.33 -0.18 0.00 -0.87 0.00 0.00 176.83 176.72 3fbb n TYR 58 N -3.54 0.00 0.00 4.77 0.18 -1.26 -4.59 117.16 112.72 3fbb n TYR 58 Ca -0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 3fbb n TYR 58 Cb 0.47 -0.12 -0.05 0.00 -0.38 0.00 0.00 39.34 39.26 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 1.18 -0.98 -0.74 -3.48 3.04 -1.76 0.24 116.94 114.44 3fbb h PHE 59 Ca 0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3fbb h PHE 59 Cb 0.46 0.45 -0.04 0.00 2.56 0.00 0.00 35.95 39.39 3fbb h PHE 59 CO 0.00 -0.42 0.41 -0.91 -2.02 0.00 0.00 178.31 175.37 3fbb h ASN 60 N -0.43 0.93 -0.57 0.41 2.35 -1.84 -1.98 115.58 114.45 3fbb h ASN 60 Ca 0.09 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3fbb h ASN 60 Cb 0.57 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3fbb h ASN 60 CO -0.36 0.75 0.07 0.44 -1.65 0.00 0.00 177.43 176.68 3fbb h ASP 61 N 1.03 0.92 -0.31 5.81 3.32 -1.72 0.22 116.42 125.69 3fbb h ASP 61 Ca 0.26 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3fbb h ASP 61 Cb 0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3fbb h ASP 61 CO -0.04 0.96 0.11 0.25 -1.72 0.00 0.00 179.24 178.79 3fbb h LEU 62 N 0.85 0.11 -0.67 1.55 5.85 -0.41 -1.07 115.31 121.51 3fbb h LEU 62 Ca 0.17 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3fbb h LEU 62 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3fbb h LEU 62 CO 0.01 0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 178.06 3fbb h ASP 64 N 0.77 0.55 -0.19 0.00 3.32 -0.79 -2.27 116.42 117.81 3fbb h ASP 64 Ca 0.12 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3fbb h ASP 64 Cb 0.68 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3fbb h ASP 64 CO 0.05 0.47 -0.04 0.15 -1.72 0.00 0.00 179.24 178.15 3fbb h PHE 65 N 0.58 -0.09 0.00 4.55 -0.00 -0.76 -1.70 116.94 119.52 3fbb h PHE 65 Ca 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.14 3fbb h PHE 65 Cb 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.06 3fbb h PHE 65 CO -0.02 -0.08 0.00 0.52 -0.00 0.00 0.00 178.31 178.73 3fbb h MET 66 N 0.01 0.00 -0.02 1.11 2.86 -0.60 0.01 114.93 118.30 3fbb h MET 66 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 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 -0.19 0.00 -0.11 0.28 1.06 0.00 0.00 176.91 177.95 3fbb n VAL 67 N -2.55 0.00 1.17 -2.22 0.31 -0.88 -4.54 118.33 109.62 3fbb n VAL 67 Ca -0.01 -0.44 0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3fbb n VAL 67 Cb 0.11 1.28 0.63 0.00 -0.91 0.00 0.00 33.84 34.95 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 0.52 0.00 -1.19 4.52 3.41 -0.01 -4.82 113.62 116.06 3fbb n SER 68 Ca 0.08 -0.01 -0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3fbb n SER 68 Cb 0.37 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.91 1.08 3.73 5.00 0.00 -1.26 -5.09 105.19 109.56 3fbb n GLY 69 Ca 0.11 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 2.25 0.09 1.61 0.02 -1.12 -4.58 135.00 131.26 3fbb s PRO 70 Ca 0.02 1.65 0.03 0.00 0.02 0.00 0.00 61.00 62.71 3fbb s PRO 70 Cb -0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3fbb s PRO 70 CO 0.00 -1.73 -0.09 0.96 -0.33 0.00 0.00 177.00 175.82 3fbb s ILE 71 N -2.12 0.82 -0.11 2.83 -4.36 -0.25 -3.32 121.20 114.68 3fbb s ILE 71 Ca 0.72 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 3fbb s ILE 71 Cb -0.26 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.08 3fbb s ILE 71 CO 0.45 -0.63 -0.17 -0.63 0.24 0.00 0.00 174.94 174.20 3fbb s ILE 72 N -2.66 2.74 -0.15 8.37 1.01 -1.02 -0.81 121.20 128.69 3fbb s ILE 72 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3fbb s ILE 72 Cb -0.01 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3fbb s ILE 72 CO -0.01 0.54 0.03 -0.94 0.00 0.00 0.00 174.94 174.56 3fbb s SER 73 N 0.18 5.41 -0.02 3.58 1.04 -0.13 -0.38 113.70 123.38 3fbb s SER 73 Ca -0.10 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3fbb s SER 73 Cb -0.16 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.17 3fbb s SER 73 CO 0.06 0.25 -0.04 -0.63 0.98 0.00 0.00 173.24 173.85 3fbb s ILE 74 N -0.08 0.41 -0.26 -1.02 1.01 0.83 -0.87 121.20 121.22 3fbb s ILE 74 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3fbb s ILE 74 Cb -0.12 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 3fbb s ILE 74 CO 0.02 0.14 0.16 -0.69 0.00 0.00 0.00 174.94 174.57 3fbb s VAL 75 N 0.23 5.19 0.08 2.92 1.01 0.75 -0.29 120.40 130.28 3fbb s VAL 75 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3fbb s VAL 75 Cb -0.06 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3fbb s VAL 75 CO -0.00 0.31 0.02 -0.31 0.00 0.00 0.00 175.10 175.11 3fbb s TYR 76 N 1.40 3.05 -0.01 5.22 1.51 -0.56 -0.38 117.35 127.58 3fbb s TYR 76 Ca 0.07 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 3fbb s TYR 76 Cb -0.15 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3fbb s TYR 76 CO 0.07 0.49 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.88 3fbb s GLU 77 N -2.23 1.02 0.00 -0.62 2.12 0.11 -1.64 118.70 117.46 3fbb s GLU 77 Ca 0.26 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.16 3fbb s GLU 77 Cb -0.12 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.30 3fbb s GLU 77 CO 0.18 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3fbb n GLY 78 N 2.86 -0.30 3.69 -1.50 0.00 -0.92 -1.04 105.19 107.97 3fbb n GLY 78 Ca -0.15 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 2.76 -1.57 2.61 2.01 -1.26 -1.31 115.64 116.88 3fbb s THR 79 Ca 0.00 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 3fbb s THR 79 Cb 0.00 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3fbb s THR 79 CO 0.00 0.00 0.58 -0.67 -0.69 0.00 0.00 174.62 173.84 3fbb n ASP 80 N 5.44 -6.05 -0.12 3.53 4.64 -1.03 -4.87 116.55 118.09 3fbb n ASP 80 Ca 0.16 -0.28 -0.05 0.00 -1.38 0.00 0.00 54.79 53.25 3fbb n ASP 80 Cb 0.39 -4.90 0.03 0.00 -1.04 0.00 0.00 41.12 35.60 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 1.01 0.41 -0.19 -1.67 0.00 -1.73 -1.03 119.26 116.07 3fbb h ALA 81 Ca -0.53 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.52 3fbb h ALA 81 Cb 1.37 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 3fbb h ALA 81 CO 0.57 -0.35 -0.12 0.82 0.00 0.00 0.00 179.25 180.18 3fbb h ILE 82 N 0.17 0.65 0.20 0.00 2.04 -1.88 -0.86 117.51 117.83 3fbb h ILE 82 Ca 0.19 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.74 3fbb h ILE 82 Cb 0.25 0.65 0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3fbb h ILE 82 CO -0.28 0.00 -1.38 -1.28 0.00 0.00 0.00 178.15 175.21 3fbb h SER 83 N -0.11 0.82 -0.41 1.72 0.87 -1.83 -2.47 113.55 112.14 3fbb h SER 83 Ca 0.11 -0.84 -0.06 0.00 -1.23 0.00 0.00 61.79 59.77 3fbb h SER 83 Cb 0.27 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3fbb h SER 83 CO -0.26 1.65 0.03 0.11 -0.53 0.00 0.00 176.83 177.82 3fbb h LYS 84 N 0.19 0.71 -0.13 2.24 1.79 -1.15 -2.08 116.57 118.13 3fbb h LYS 84 Ca -0.22 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 3fbb h LYS 84 Cb 2.07 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.64 3fbb h LYS 84 CO 0.26 0.78 -0.24 0.82 -1.08 0.00 0.00 179.45 179.98 3fbb h ILE 85 N 0.55 1.23 -0.73 1.86 2.04 -1.24 -1.32 117.51 119.90 3fbb h ILE 85 Ca 0.12 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3fbb h ILE 85 Cb 0.44 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3fbb h ILE 85 CO 0.02 0.33 0.38 0.03 0.00 0.00 0.00 178.15 178.91 3fbb h ARG 86 N 0.22 1.04 -0.14 2.37 2.47 -1.19 -0.90 114.38 118.24 3fbb h ARG 86 Ca 0.04 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.50 3fbb h ARG 86 Cb 0.56 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3fbb h ARG 86 CO 0.04 0.79 -0.42 0.00 0.56 0.00 0.00 179.97 180.94 3fbb h ARG 87 N 1.02 0.32 -0.41 0.04 3.08 -1.02 -1.71 114.38 115.70 3fbb h ARG 87 Ca 0.25 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3fbb h ARG 87 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3fbb h ARG 87 CO -0.04 0.69 -0.02 1.25 -1.07 0.00 0.00 179.97 180.78 3fbb h LEU 88 N 0.26 0.72 -0.98 3.04 5.85 -0.90 -2.51 115.31 120.80 3fbb h LEU 88 Ca 0.02 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.48 3fbb h LEU 88 Cb 0.86 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3fbb h LEU 88 CO 0.07 0.87 0.63 -0.61 -0.34 0.00 0.00 178.44 179.06 3fbb h GLN 89 N 0.56 1.14 0.00 1.25 4.15 -0.98 -0.36 115.11 120.87 3fbb h GLN 89 Ca 0.11 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3fbb h GLN 89 Cb 0.51 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3fbb h GLN 89 CO 0.02 0.75 0.00 0.41 -1.93 0.00 0.00 178.83 178.09 3fbb n GLY 90 N -1.36 1.63 3.54 2.39 0.00 -0.66 -1.55 105.19 109.17 3fbb n GLY 90 Ca 0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.47 0.00 1.61 2.20 -1.26 -4.78 114.94 109.18 3fbb s ASN 91 Ca 0.00 -1.27 0.25 0.00 -0.94 0.00 0.00 52.86 50.90 3fbb s ASN 91 Cb 0.00 0.64 1.37 0.00 -2.00 0.00 0.00 41.25 41.26 3fbb s ASN 91 CO 0.00 -1.26 1.85 2.30 -2.94 0.00 0.00 177.10 177.05 3fbb n ILE 92 N -0.49 0.13 0.77 0.54 -5.35 -1.26 -1.48 119.36 112.21 3fbb n ILE 92 Ca -0.01 0.03 0.11 0.00 -0.27 0.00 0.00 62.75 62.62 3fbb n ILE 92 Cb 0.62 -0.63 0.12 0.00 -1.74 0.00 0.00 39.64 38.02 3fbb n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbb n LEU 93 N -1.16 3.03 -3.92 7.28 4.77 -1.26 -4.67 117.00 121.06 3fbb n LEU 93 Ca 0.15 -1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 54.69 3fbb n LEU 93 Cb 0.15 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 3fbb n LEU 93 CO 0.17 0.55 -0.17 -0.89 -1.33 0.00 0.00 177.39 175.73 3fbb s THR 94 N -1.77 2.52 0.59 -5.08 2.01 -0.90 -5.05 115.64 107.97 3fbb s THR 94 Ca 0.29 -3.38 -0.19 0.00 0.31 0.00 0.00 61.69 58.72 3fbb s THR 94 Cb 0.20 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3fbb s THR 94 CO 0.29 -0.84 1.15 -2.65 -0.69 0.00 0.00 174.62 171.89 3fbb n PRO 95 N 2.99 1.17 0.00 4.92 -0.02 -1.26 -2.68 135.00 140.13 3fbb n PRO 95 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3fbb n PRO 95 Cb 0.33 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3fbb n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fbb n GLY 96 N 1.05 3.22 3.99 -1.23 0.00 -1.26 -4.94 105.19 106.03 3fbb n GLY 96 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 3.11 0.09 2.61 -4.23 -1.09 -4.91 115.64 108.29 3fbb s THR 97 Ca 0.00 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.34 3fbb s THR 97 Cb 0.00 -3.08 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 3fbb s THR 97 CO 0.00 -0.04 1.64 0.40 -0.54 0.00 0.00 174.62 176.08 3fbb h ILE 98 N 0.50 0.44 -0.31 2.99 2.04 -1.15 0.91 117.51 122.92 3fbb h ILE 98 Ca -0.42 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 3fbb h ILE 98 Cb 1.28 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3fbb h ILE 98 CO 0.49 0.00 -0.17 0.03 0.00 0.00 0.00 178.15 178.49 3fbb h ARG 99 N -0.59 0.57 -0.61 2.37 3.08 -1.51 -1.68 114.38 116.00 3fbb h ARG 99 Ca -0.02 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 3fbb h ARG 99 Cb 0.53 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3fbb h ARG 99 CO -0.02 0.72 -0.00 0.78 -1.07 0.00 0.00 179.97 180.37 3fbb h GLY 100 N 0.98 1.17 1.50 0.04 0.00 -1.01 -1.14 103.07 104.60 3fbb h GLY 100 Ca 0.08 -0.87 -0.26 0.00 0.00 0.00 0.00 47.33 46.29 3fbb h GLY 100 CO 0.04 0.80 -1.35 -0.55 0.00 0.00 0.00 176.54 175.48 3fbb h ASP 101 N 0.99 0.10 0.00 0.19 3.32 -0.80 -3.41 116.42 116.80 3fbb h ASP 101 Ca 0.17 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fbb h ASP 101 Cb 0.57 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fbb h ASP 101 CO 0.03 1.11 -0.92 0.18 -1.72 0.00 0.00 179.24 177.92 3fbb n LEU 102 N -3.28 0.01 -4.58 1.55 4.77 -0.64 -5.05 117.00 109.78 3fbb n LEU 102 Ca -0.09 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 3fbb n LEU 102 Cb 1.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.00 3fbb n LEU 102 CO 0.47 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 176.14 3fbb s ALA 103 N -1.95 2.99 -0.08 -1.18 0.00 -0.43 -5.02 121.76 116.08 3fbb s ALA 103 Ca -0.00 -1.63 0.11 0.00 0.00 0.00 0.00 51.96 50.44 3fbb s ALA 103 Cb 0.01 -0.65 0.23 0.00 0.00 0.00 0.00 23.12 22.70 3fbb s ALA 103 CO 0.05 0.35 1.15 -1.71 0.00 0.00 0.00 175.76 175.59 3fbb n ASN 104 N -0.46 -0.30 -3.84 0.00 5.15 -1.26 -4.71 115.26 109.83 3fbb n ASN 104 Ca -0.08 -2.04 -0.12 0.00 -0.60 0.00 0.00 54.58 51.74 3fbb n ASN 104 Cb 0.58 0.13 -0.11 0.00 -0.53 0.00 0.00 39.78 39.85 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 -1.55 -0.08 0.45 1.20 -1.08 -1.26 -5.03 116.67 109.32 3fbb s ASP 105 Ca 0.13 0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.37 3fbb s ASP 105 Cb 0.21 0.29 1.01 0.00 -1.46 0.00 0.00 42.92 42.97 3fbb s ASP 105 CO -0.07 -0.23 2.01 -0.29 0.52 0.00 0.00 175.17 177.11 3fbb h ILE 106 N 4.53 1.11 0.00 4.11 2.10 -2.02 -3.35 117.51 123.99 3fbb h ILE 106 Ca -0.28 -0.50 -0.26 0.00 1.08 0.00 0.00 64.86 64.90 3fbb h ILE 106 Cb 1.19 1.20 -0.04 0.00 -1.09 0.00 0.00 36.82 38.08 3fbb h ILE 106 CO 0.40 0.15 -1.88 0.61 -1.08 0.00 0.00 178.15 176.35 3fbb n GLY 107 N -1.12 -0.24 3.50 8.18 0.00 -1.26 -4.80 105.19 109.44 3fbb n GLY 107 Ca -0.02 -0.08 -0.43 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 -2.29 3.71 -0.10 1.61 2.02 -1.26 -4.77 118.70 117.62 3fbb s GLU 108 Ca -0.22 -1.71 0.17 0.00 0.02 0.00 0.00 54.97 53.23 3fbb s GLU 108 Cb 0.08 -5.13 0.37 0.00 0.10 0.00 0.00 34.13 29.54 3fbb s GLU 108 CO 0.30 -1.95 1.17 0.27 0.02 0.00 0.00 175.26 175.07 3fbb n ASN 109 N 7.31 1.31 0.00 -0.19 0.23 -1.26 -4.02 115.26 118.64 3fbb n ASN 109 Ca 0.31 -2.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.50 3fbb n ASN 109 Cb 0.48 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.38 0.00 -3.85 -4.53 4.77 -1.26 -4.79 117.00 106.96 3fbb n LEU 110 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3fbb n LEU 110 Cb 0.87 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.83 3fbb n LEU 110 CO -0.03 0.00 -0.26 -0.51 -1.33 0.00 0.00 177.39 175.26 3fbb s ILE 111 N 0.00 0.01 -0.09 -0.08 2.07 -1.26 -0.31 121.20 121.55 3fbb s ILE 111 Ca 0.00 -0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.16 3fbb s ILE 111 Cb 0.00 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3fbb s ILE 111 CO 0.00 -0.03 0.00 -2.28 -1.91 0.00 0.00 174.94 170.72 3fbb s HIS 112 N -0.07 3.17 -0.04 3.50 5.65 0.77 -4.94 115.29 123.33 3fbb s HIS 112 Ca -0.01 0.20 0.02 0.00 0.25 0.00 0.00 55.06 55.52 3fbb s HIS 112 Cb -0.01 -1.79 0.01 0.00 -1.18 0.00 0.00 32.58 29.61 3fbb s HIS 112 CO 0.00 0.48 -0.07 0.00 -0.65 0.00 0.00 174.74 174.50 3fbb s ALA 113 N -0.89 0.80 0.31 1.58 0.00 -1.26 -1.31 121.76 120.99 3fbb s ALA 113 Ca 0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.62 3fbb s ALA 113 Cb -0.11 -0.39 -0.13 0.00 0.00 0.00 0.00 23.12 22.48 3fbb s ALA 113 CO 0.02 0.07 1.02 0.43 0.00 0.00 0.00 175.76 177.30 3fbb n SER 114 N 3.71 1.38 -0.87 0.00 7.64 -0.68 -4.92 113.62 119.88 3fbb n SER 114 Ca -0.22 1.16 0.09 0.00 1.01 0.00 0.00 58.87 60.91 3fbb n SER 114 Cb 0.52 -1.31 0.15 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.11 2.96 -3.57 6.43 5.68 -1.26 -4.72 116.55 123.18 3fbb n ASP 115 Ca 0.09 -1.87 -0.07 0.00 -0.50 0.00 0.00 54.79 52.44 3fbb n ASP 115 Cb 0.33 -0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.27 -0.31 0.25 -1.12 1.04 -1.26 -4.98 113.70 106.04 3fbb s SER 116 Ca 0.29 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 3fbb s SER 116 Cb 0.17 0.41 0.46 0.00 0.10 0.00 0.00 66.02 67.16 3fbb s SER 116 CO 0.24 -0.70 1.77 -0.33 0.98 0.00 0.00 173.24 175.20 3fbb h GLU 117 N 2.00 0.62 0.02 4.02 5.08 -1.97 0.20 114.58 124.54 3fbb h GLU 117 Ca -0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3fbb h GLU 117 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3fbb h GLU 117 CO 0.29 0.41 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.26 3fbb h ASP 118 N 0.63 -0.02 -0.63 1.42 3.32 -1.99 -2.08 116.42 117.07 3fbb h ASP 118 Ca 0.42 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3fbb h ASP 118 Cb 0.54 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3fbb h ASP 118 CO -0.33 0.56 0.41 0.77 -1.72 0.00 0.00 179.24 178.94 3fbb h SER 119 N -0.61 0.67 0.68 6.45 4.64 -1.91 -1.09 113.55 122.38 3fbb h SER 119 Ca -0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3fbb h SER 119 Cb 0.58 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3fbb h SER 119 CO 0.00 0.47 -0.47 0.00 -0.87 0.00 0.00 176.83 175.96 3fbb h ALA 120 N 1.63 -1.17 -0.90 5.18 0.00 -0.56 0.27 119.26 123.71 3fbb h ALA 120 Ca 0.24 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fbb h ALA 120 Cb 0.01 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3fbb h ALA 120 CO -0.06 -1.18 0.59 0.28 0.00 0.00 0.00 179.25 178.88 3fbb h VAL 121 N -1.10 1.12 0.52 0.00 2.07 -1.08 0.32 116.25 118.10 3fbb h VAL 121 Ca -0.09 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3fbb h VAL 121 Cb 0.91 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3fbb h VAL 121 CO 0.06 0.20 -0.25 -0.78 0.02 0.00 0.00 177.57 176.81 3fbb h ASP 122 N 1.09 -0.59 -0.89 0.57 3.58 -1.07 -2.74 116.42 116.36 3fbb h ASP 122 Ca 0.37 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.81 3fbb h ASP 122 Cb 0.09 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 3fbb h ASP 122 CO -0.12 -0.29 0.58 -0.33 -2.88 0.00 0.00 179.24 176.20 3fbb h GLU 123 N -0.90 1.05 -0.63 0.28 5.08 0.08 -0.91 114.58 118.64 3fbb h GLU 123 Ca -0.07 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3fbb h GLU 123 Cb 0.61 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3fbb h GLU 123 CO 0.12 0.69 0.29 0.82 -1.00 0.00 0.00 179.01 179.93 3fbb h ILE 124 N 1.08 1.21 0.00 3.13 2.04 -1.00 -2.51 117.51 121.47 3fbb h ILE 124 Ca 0.36 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 3fbb h ILE 124 Cb 0.08 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3fbb h ILE 124 CO -0.12 0.25 -0.64 0.77 0.00 0.00 0.00 178.15 178.41 3fbb h SER 125 N 0.89 0.00 -0.17 1.72 4.64 -0.89 0.28 113.55 120.02 3fbb h SER 125 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fbb h SER 125 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3fbb h SER 125 CO -0.03 0.64 0.10 0.40 -0.87 0.00 0.00 176.83 177.07 3fbb h ILE 126 N 0.00 1.08 0.00 0.95 2.04 -0.97 -2.56 117.51 118.05 3fbb h ILE 126 Ca -0.01 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3fbb h ILE 126 Cb 1.17 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3fbb h ILE 126 CO 0.08 0.08 -1.43 0.79 0.00 0.00 0.00 178.15 177.67 3fbb n TRP 127 N -4.94 0.70 -3.16 1.37 7.02 -0.97 -4.42 117.44 113.04 3fbb n TRP 127 Ca -0.04 0.22 -0.22 0.00 -1.02 0.00 0.00 57.50 56.43 3fbb n TRP 127 Cb 0.06 -0.90 -0.05 0.00 -2.42 0.00 0.00 31.31 28.00 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 -2.65 1.23 0.04 -5.99 3.72 0.97 -4.93 117.46 109.85 3fbb n PHE 128 Ca -0.06 -3.83 0.03 0.00 -0.05 0.00 0.00 57.45 53.54 3fbb n PHE 128 Cb 0.68 -0.43 0.39 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.37 0.45 -5.29 -1.08 0.13 -1.60 -3.32 132.00 124.66 3fbb h PRO 129 Ca 0.11 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 3fbb h PRO 129 Cb 0.82 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 3fbb h PRO 129 CO 0.59 0.40 0.44 0.39 -0.23 0.00 0.00 178.00 179.59 3fbb n GLU 130 N -4.38 0.48 -0.41 0.86 4.71 -1.26 -5.02 120.64 115.62 3fbb n GLU 130 Ca 0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 3fbb n GLU 130 Cb 0.15 -3.22 0.00 0.00 -1.01 0.00 0.00 31.44 27.36 3fbb n GLU 130 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85