#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbf n LEU 1 N 0.00 1.35 -4.13 0.99 7.94 -1.26 -2.48 117.00 119.41 3fbf n LEU 1 Ca 0.00 1.13 -0.09 0.00 -1.11 0.00 0.00 56.01 55.95 3fbf n LEU 1 Cb 0.00 -1.16 -0.10 0.00 0.53 0.00 0.00 43.42 42.69 3fbf n LEU 1 CO 0.00 -1.27 -0.33 -1.10 -1.11 0.00 0.00 177.39 173.58 3fbf s GLN 2 N 0.12 0.78 0.05 1.96 -0.21 -0.77 -4.85 119.66 116.73 3fbf s GLN 2 Ca 0.81 -1.34 0.07 0.00 0.02 0.00 0.00 55.36 54.93 3fbf s GLN 2 Cb -0.96 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 3fbf s GLN 2 CO 0.50 -0.17 -0.20 1.03 -2.12 0.00 0.00 175.29 174.32 3fbf s ARG 3 N -3.97 1.36 0.05 2.91 0.52 -1.26 -2.12 118.95 116.44 3fbf s ARG 3 Ca 0.16 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3fbf s ARG 3 Cb 0.08 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.04 3fbf s ARG 3 CO -0.04 0.37 0.01 -0.08 0.02 0.00 0.00 175.30 175.58 3fbf s THR 4 N -0.82 0.20 -0.18 0.02 -1.32 -0.48 -4.71 115.64 108.36 3fbf s THR 4 Ca 0.07 -1.68 -0.06 0.00 -1.21 0.00 0.00 61.69 58.82 3fbf s THR 4 Cb -0.09 -1.44 -0.03 0.00 -1.51 0.00 0.00 72.50 69.42 3fbf s THR 4 CO 0.02 -0.93 0.02 -0.22 -2.21 0.00 0.00 174.62 171.30 3fbf s LEU 5 N -2.85 3.53 -0.08 9.08 2.96 -1.26 -0.95 118.68 129.10 3fbf s LEU 5 Ca 0.06 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3fbf s LEU 5 Cb 0.07 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3fbf s LEU 5 CO -0.10 0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.20 3fbf s VAL 6 N 0.55 2.62 -0.17 1.68 1.01 0.88 -2.26 120.40 124.72 3fbf s VAL 6 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3fbf s VAL 6 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3fbf s VAL 6 CO 0.02 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 174.87 3fbf s LEU 7 N -0.08 3.10 -0.37 3.92 1.43 -0.34 -0.00 118.68 126.33 3fbf s LEU 7 Ca -0.04 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3fbf s LEU 7 Cb -0.14 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3fbf s LEU 7 CO 0.04 0.13 0.61 -0.63 0.23 0.00 0.00 176.35 176.73 3fbf s ILE 8 N 0.60 4.90 0.67 -0.59 -1.09 0.20 -0.84 121.20 125.05 3fbf s ILE 8 Ca -0.03 0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 58.69 3fbf s ILE 8 Cb -0.15 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 3fbf s ILE 8 CO 0.03 -0.36 1.06 -0.54 -1.23 0.00 0.00 174.94 173.90 3fbf s LYS 9 N 2.67 3.16 0.49 2.79 1.02 0.87 -2.08 119.74 128.65 3fbf s LYS 9 Ca 0.23 0.63 0.16 0.00 0.02 0.00 0.00 55.97 57.01 3fbf s LYS 9 Cb -0.15 -2.04 1.18 0.00 -0.52 0.00 0.00 37.83 36.31 3fbf s LYS 9 CO 0.15 -0.86 2.07 -1.35 -0.92 0.00 0.00 175.35 174.45 3fbf h PRO 10 N -0.53 0.16 0.00 -1.68 0.11 -1.83 -1.02 132.00 127.22 3fbf h PRO 10 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3fbf h PRO 10 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fbf h PRO 10 CO 0.62 0.11 -0.09 0.38 -0.21 0.00 0.00 178.00 178.82 3fbf h ASP 11 N 0.17 0.00 -0.20 -2.05 2.03 -1.90 -1.18 116.42 113.28 3fbf h ASP 11 Ca 0.13 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.34 3fbf h ASP 11 Cb 0.31 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 3fbf h ASP 11 CO -0.02 0.09 -0.16 0.00 -1.03 0.00 0.00 179.24 178.12 3fbf h ALA 12 N 1.91 1.09 -0.12 4.15 0.00 -1.44 -0.50 119.26 124.36 3fbf h ALA 12 Ca -0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3fbf h ALA 12 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fbf h ALA 12 CO 0.01 0.56 -0.77 0.74 0.00 0.00 0.00 179.25 179.79 3fbf h PHE 13 N 0.56 0.86 -0.41 0.00 -1.00 -1.32 0.50 116.94 116.13 3fbf h PHE 13 Ca 0.09 -0.38 -0.07 0.00 2.81 0.00 0.00 57.97 60.42 3fbf h PHE 13 Cb 0.59 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 3fbf h PHE 13 CO 0.02 1.19 -0.00 1.49 -1.61 0.00 0.00 178.31 179.40 3fbf h GLU 14 N 0.43 0.73 -0.46 1.51 4.22 -0.98 -2.65 114.58 117.38 3fbf h GLU 14 Ca -0.05 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.16 3fbf h GLU 14 Cb 1.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3fbf h GLU 14 CO 0.15 0.81 0.00 0.54 -2.18 0.00 0.00 179.01 178.33 3fbf n ARG 15 N -4.43 2.08 -3.87 1.92 1.74 -0.22 -4.93 116.66 108.96 3fbf n ARG 15 Ca -0.01 -1.61 -0.28 0.00 -0.77 0.00 0.00 57.85 55.19 3fbf n ARG 15 Cb 0.29 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3fbf n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbf n SER 16 N 0.78 -3.63 -1.03 0.55 7.64 -0.79 -4.90 113.62 112.25 3fbf n SER 16 Ca 0.15 -0.80 0.08 0.00 1.01 0.00 0.00 58.87 59.31 3fbf n SER 16 Cb 0.39 -3.88 0.28 0.00 -1.01 0.00 0.00 64.21 59.99 3fbf n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbf n LEU 17 N -4.56 4.10 0.04 -3.43 4.77 0.17 -4.71 117.00 113.38 3fbf n LEU 17 Ca -0.06 -2.93 -0.13 0.00 -0.03 0.00 0.00 56.01 52.86 3fbf n LEU 17 Cb 0.57 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3fbf n LEU 17 CO 0.74 0.67 0.72 0.58 -1.33 0.00 0.00 177.39 178.78 3fbf h VAL 18 N 2.17 1.12 -0.20 4.08 2.07 -1.90 -2.53 116.25 121.04 3fbf h VAL 18 Ca 0.00 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 66.80 3fbf h VAL 18 Cb 1.48 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3fbf h VAL 18 CO 0.25 0.14 -0.50 0.00 0.02 0.00 0.00 177.57 177.48 3fbf h ALA 19 N 0.60 0.75 -0.74 1.67 0.00 -1.94 -1.83 119.26 117.77 3fbf h ALA 19 Ca -0.01 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3fbf h ALA 19 Cb 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3fbf h ALA 19 CO 0.01 0.67 0.42 1.49 0.00 0.00 0.00 179.25 181.85 3fbf h GLU 20 N 0.44 0.74 -0.09 0.00 4.57 -1.87 0.59 114.58 118.96 3fbf h GLU 20 Ca 0.02 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 57.95 3fbf h GLU 20 Cb 1.03 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3fbf h GLU 20 CO 0.09 0.49 -0.73 0.82 -1.18 0.00 0.00 179.01 178.50 3fbf h ILE 21 N 0.76 1.32 -0.18 2.32 2.04 -1.25 -2.84 117.51 119.67 3fbf h ILE 21 Ca 0.34 -2.00 -0.16 0.00 1.00 0.00 0.00 64.86 64.04 3fbf h ILE 21 Cb 0.24 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3fbf h ILE 21 CO -0.20 0.62 -0.53 0.24 0.00 0.00 0.00 178.15 178.27 3fbf h MET 22 N 0.30 0.53 -0.70 2.37 2.86 -1.05 -2.83 114.93 116.41 3fbf h MET 22 Ca -0.07 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.32 3fbf h MET 22 Cb 1.38 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.03 3fbf h MET 22 CO 0.15 0.93 0.46 0.78 1.06 0.00 0.00 176.91 180.29 3fbf h GLY 23 N 1.09 0.88 1.01 8.32 0.00 0.22 0.09 103.07 114.67 3fbf h GLY 23 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3fbf h GLY 23 CO 0.10 0.18 -0.21 3.21 0.00 0.00 0.00 176.54 179.82 3fbf h ARG 24 N 0.67 0.80 -0.35 4.80 3.08 -1.25 0.15 114.38 122.27 3fbf h ARG 24 Ca 0.31 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3fbf h ARG 24 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3fbf h ARG 24 CO -0.10 0.99 -0.11 0.82 -1.07 0.00 0.00 179.97 180.49 3fbf h ILE 25 N 0.59 1.28 -0.36 2.04 2.04 -1.43 -2.72 117.51 118.96 3fbf h ILE 25 Ca 0.08 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.79 3fbf h ILE 25 Cb 0.77 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3fbf h ILE 25 CO 0.06 0.39 0.13 -0.08 0.00 0.00 0.00 178.15 178.65 3fbf h GLU 26 N 0.48 0.27 0.00 2.37 4.81 -0.81 -2.14 114.58 119.56 3fbf h GLU 26 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3fbf h GLU 26 Cb 0.63 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3fbf h GLU 26 CO 0.04 0.18 -0.08 0.87 -0.73 0.00 0.00 179.01 179.29 3fbf h LYS 27 N 0.28 0.00 -0.20 1.92 1.57 -0.63 0.26 116.57 119.78 3fbf h LYS 27 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3fbf h LYS 27 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fbf h LYS 27 CO -0.17 0.08 0.00 1.17 -0.57 0.00 0.00 179.45 179.96 3fbf n LYS 28 N -3.65 1.54 -1.94 3.15 4.81 -0.82 -4.90 118.16 116.35 3fbf n LYS 28 Ca -0.02 -0.84 -0.04 0.00 -0.87 0.00 0.00 58.31 56.54 3fbf n LYS 28 Cb 0.19 -1.25 -0.00 0.00 0.02 0.00 0.00 35.03 33.99 3fbf n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbf n ASN 29 N 0.13 -2.11 -4.85 3.14 4.05 0.93 -5.04 115.26 111.52 3fbf n ASN 29 Ca 0.11 0.01 -0.36 0.00 0.45 0.00 0.00 54.58 54.79 3fbf n ASN 29 Cb 0.22 -1.30 -0.06 0.00 1.23 0.00 0.00 39.78 39.87 3fbf n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbf s PHE 30 N -2.18 3.63 -0.04 1.20 0.40 -1.15 -4.91 117.98 114.93 3fbf s PHE 30 Ca 0.00 0.92 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 3fbf s PHE 30 Cb 0.00 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 3fbf s PHE 30 CO 0.00 0.53 -0.02 0.15 0.70 0.00 0.00 175.22 176.58 3fbf s LYS 31 N -1.70 2.82 -0.06 0.44 -0.14 -0.66 -4.41 119.74 116.04 3fbf s LYS 31 Ca 0.32 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.09 3fbf s LYS 31 Cb -0.15 -2.68 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 3fbf s LYS 31 CO 0.17 0.65 1.32 0.42 -0.76 0.00 0.00 175.35 177.16 3fbf s ILE 32 N -0.97 4.00 -0.06 2.17 1.01 -1.26 -0.72 121.20 125.37 3fbf s ILE 32 Ca 0.16 1.32 0.10 0.00 0.00 0.00 0.00 60.65 62.23 3fbf s ILE 32 Cb -0.11 -3.85 -0.14 0.00 0.01 0.00 0.00 42.46 38.37 3fbf s ILE 32 CO 0.06 -0.03 0.12 0.52 0.00 0.00 0.00 174.94 175.61 3fbf n VAL 33 N 4.85 0.38 -3.78 2.92 0.31 0.82 -4.93 118.33 118.90 3fbf n VAL 33 Ca 0.13 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 3fbf n VAL 33 Cb 0.45 -0.30 -0.09 0.00 -0.91 0.00 0.00 33.84 32.98 3fbf n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fbf s SER 34 N -3.77 -0.19 -0.17 4.52 0.01 -1.09 -4.96 113.70 108.06 3fbf s SER 34 Ca -0.04 0.17 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 3fbf s SER 34 Cb 0.05 0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.70 3fbf s SER 34 CO 0.42 -0.35 0.41 -0.32 0.41 0.00 0.00 173.24 173.81 3fbf s MET 35 N -0.95 0.41 -0.02 12.44 0.00 -1.26 -0.90 119.30 129.01 3fbf s MET 35 Ca -0.10 0.76 0.03 0.00 0.00 0.00 0.00 55.69 56.37 3fbf s MET 35 Cb -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 34.83 34.80 3fbf s MET 35 CO 0.03 -0.14 -0.11 0.15 0.00 0.00 0.00 175.02 174.95 3fbf s LYS 36 N 1.19 1.08 -0.18 4.11 1.02 -0.46 -5.02 119.74 121.49 3fbf s LYS 36 Ca -0.08 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 3fbf s LYS 36 Cb -0.07 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 3fbf s LYS 36 CO -0.10 0.16 0.01 0.12 -0.92 0.00 0.00 175.35 174.62 3fbf s PHE 37 N 0.07 3.11 -0.20 3.18 5.36 -1.26 -1.31 117.98 126.92 3fbf s PHE 37 Ca -0.02 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 3fbf s PHE 37 Cb -0.08 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.58 3fbf s PHE 37 CO 0.01 -0.04 -0.18 -1.58 -1.46 0.00 0.00 175.22 171.96 3fbf s TRP 38 N 0.61 2.87 0.27 10.12 0.52 0.15 -4.99 118.94 128.48 3fbf s TRP 38 Ca 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 56.10 54.41 3fbf s TRP 38 Cb -0.14 -1.93 0.37 0.00 -1.15 0.00 0.00 33.47 30.62 3fbf s TRP 38 CO 0.02 -0.81 1.73 0.66 0.02 0.00 0.00 176.95 178.57 3fbf h SER 39 N 7.92 0.60 -2.45 2.95 4.64 -1.90 0.23 113.55 125.55 3fbf h SER 39 Ca -0.42 -0.18 -0.30 0.00 -0.47 0.00 0.00 61.79 60.42 3fbf h SER 39 Cb 1.13 -0.16 -0.35 0.00 -0.31 0.00 0.00 62.40 62.70 3fbf h SER 39 CO 0.61 0.78 -0.61 -0.75 -0.87 0.00 0.00 176.83 175.99 3fbf s LYS 40 N -4.67 0.21 0.30 4.77 2.20 -1.26 -2.75 119.74 118.54 3fbf s LYS 40 Ca -0.08 0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 3fbf s LYS 40 Cb 0.14 -1.12 -0.12 0.00 -1.51 0.00 0.00 37.83 35.22 3fbf s LYS 40 CO 0.80 -0.67 1.55 0.00 -0.36 0.00 0.00 175.35 176.66 3fbf n ALA 41 N 5.32 2.30 -1.66 3.13 0.00 -1.26 -4.88 120.51 123.46 3fbf n ALA 41 Ca -0.05 0.37 -0.49 0.00 0.00 0.00 0.00 53.44 53.27 3fbf n ALA 41 Cb 0.49 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 3fbf n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fbf n PRO 42 N 1.84 1.90 -0.22 0.00 -0.02 -1.26 -4.84 135.00 132.40 3fbf n PRO 42 Ca 0.08 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 3fbf n PRO 42 Cb 0.36 -2.45 0.40 0.00 -0.02 0.00 0.00 33.50 31.79 3fbf n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbf h ARG 43 N 6.85 0.63 -0.44 -0.52 2.43 -1.98 -1.72 114.38 119.64 3fbf h ARG 43 Ca -0.47 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3fbf h ARG 43 Cb 1.28 -0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.60 3fbf h ARG 43 CO 0.90 0.42 -0.14 -0.97 -1.51 0.00 0.00 179.97 178.67 3fbf h ASN 44 N 0.65 -0.49 -0.84 -3.80 -0.00 -1.99 -0.56 115.58 108.55 3fbf h ASN 44 Ca 0.39 0.14 0.06 0.00 -0.00 0.00 0.00 56.30 56.89 3fbf h ASN 44 Cb 0.60 0.30 -0.06 0.00 -0.00 0.00 0.00 38.32 39.17 3fbf h ASN 44 CO -0.15 -0.17 0.52 -0.07 -0.00 0.00 0.00 177.43 177.55 3fbf h LEU 45 N -0.03 0.82 -1.00 0.34 4.07 -1.68 -0.80 115.31 117.03 3fbf h LEU 45 Ca 0.21 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 3fbf h LEU 45 Cb 0.36 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 3fbf h LEU 45 CO -0.48 0.53 0.30 0.40 -1.08 0.00 0.00 178.44 178.11 3fbf h ILE 46 N 0.96 1.23 -0.42 1.22 1.08 -1.23 -0.83 117.51 119.53 3fbf h ILE 46 Ca 0.37 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 64.06 3fbf h ILE 46 Cb 0.16 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3fbf h ILE 46 CO -0.17 0.29 0.00 -0.33 -0.69 0.00 0.00 178.15 177.25 3fbf h GLU 47 N 1.01 0.73 0.63 2.37 5.08 -0.20 -1.92 114.58 122.28 3fbf h GLU 47 Ca 0.24 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3fbf h GLU 47 Cb 0.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fbf h GLU 47 CO -0.02 0.81 -0.31 1.96 -1.00 0.00 0.00 179.01 180.45 3fbf h GLN 48 N 0.57 -0.82 -0.85 2.33 4.20 -1.00 -2.31 115.11 117.23 3fbf h GLN 48 Ca 0.12 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.10 3fbf h GLN 48 Cb 0.48 0.19 -0.13 0.00 0.30 0.00 0.00 27.48 28.31 3fbf h GLN 48 CO 0.02 -0.55 0.22 1.25 -0.67 0.00 0.00 178.83 179.10 3fbf h HIS 49 N -0.85 0.32 -0.80 2.96 2.76 -0.99 0.10 115.15 118.65 3fbf h HIS 49 Ca -0.08 0.05 -0.46 0.00 -2.20 0.00 0.00 60.37 57.67 3fbf h HIS 49 Cb 0.66 -0.01 -0.26 0.00 1.55 0.00 0.00 27.41 29.35 3fbf h HIS 49 CO -0.04 -0.18 0.40 0.66 -1.30 0.00 0.00 177.93 177.47 3fbf n TYR 50 N -5.21 2.53 -0.18 5.26 4.02 -0.74 -4.76 117.16 118.09 3fbf n TYR 50 Ca 0.19 -2.05 -0.01 0.00 -0.01 0.00 0.00 57.90 56.02 3fbf n TYR 50 Cb 0.62 -0.89 0.09 0.00 -0.02 0.00 0.00 39.34 39.14 3fbf n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fbf h LYS 51 N 1.28 0.18 -1.04 -0.72 2.10 -0.20 -1.04 116.57 117.13 3fbf h LYS 51 Ca 0.50 -0.01 0.35 0.00 -2.00 0.00 0.00 60.65 59.49 3fbf h LYS 51 Cb 2.03 -0.04 -0.15 0.00 -0.90 0.00 0.00 32.23 33.17 3fbf h LYS 51 CO 0.99 0.12 0.60 0.93 -2.00 0.00 0.00 179.45 180.09 3fbf h GLU 52 N 0.19 0.23 -0.26 0.07 3.07 -1.85 0.11 114.58 116.13 3fbf h GLU 52 Ca 0.29 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3fbf h GLU 52 Cb 0.43 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3fbf h GLU 52 CO -0.42 0.15 0.00 0.72 -1.40 0.00 0.00 179.01 178.07 3fbf n HIS 53 N -5.03 0.35 0.30 4.33 8.25 -0.40 -4.30 115.22 118.72 3fbf n HIS 53 Ca 0.33 -0.18 0.17 0.00 -0.26 0.00 0.00 57.72 57.79 3fbf n HIS 53 Cb 1.09 0.00 0.91 0.00 1.12 0.00 0.00 29.99 33.12 3fbf n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbf h SER 54 N 1.81 0.00 0.30 0.41 4.64 -0.82 -2.09 113.55 117.79 3fbf h SER 54 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3fbf h SER 54 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3fbf h SER 54 CO 0.00 0.04 -1.75 -0.62 -0.87 0.00 0.00 176.83 173.63 3fbf n GLU 55 N -3.44 0.65 -0.66 4.77 4.71 -1.26 -4.92 120.64 120.49 3fbf n GLU 55 Ca -0.02 -0.07 -0.31 0.00 -0.01 0.00 0.00 57.16 56.75 3fbf n GLU 55 Cb 0.16 -1.62 0.18 0.00 -1.01 0.00 0.00 31.44 29.15 3fbf n GLU 55 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3fbf n GLN 56 N -2.46 -0.94 0.01 3.49 1.13 -0.79 -4.93 117.38 112.88 3fbf n GLN 56 Ca -0.06 -0.23 -0.12 0.00 -1.94 0.00 0.00 57.00 54.65 3fbf n GLN 56 Cb 0.64 -2.16 0.01 0.00 0.11 0.00 0.00 30.24 28.85 3fbf n GLN 56 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3fbf h SER 57 N -2.01 0.68 0.86 1.08 4.64 -1.93 -3.24 113.55 113.63 3fbf h SER 57 Ca -0.48 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 3fbf h SER 57 Cb 1.29 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3fbf h SER 57 CO 0.41 1.15 0.00 0.00 -0.87 0.00 0.00 176.83 177.52 3fbf n TYR 58 N -3.92 0.18 -0.29 4.77 0.18 -1.26 -4.25 117.16 112.57 3fbf n TYR 58 Ca -0.05 0.06 0.22 0.00 1.88 0.00 0.00 57.90 60.01 3fbf n TYR 58 Cb 0.67 -0.60 0.52 0.00 -0.38 0.00 0.00 39.34 39.55 3fbf n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbf h PHE 59 N 0.00 0.58 -0.22 -3.48 3.04 -1.76 0.14 116.94 115.24 3fbf h PHE 59 Ca 0.00 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 3fbf h PHE 59 Cb 0.43 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.77 3fbf h PHE 59 CO 0.00 0.09 -0.62 -0.91 -2.02 0.00 0.00 178.31 174.86 3fbf h ASN 60 N 0.38 0.93 -0.09 0.41 2.35 -1.86 -2.38 115.58 115.31 3fbf h ASN 60 Ca 0.55 -0.58 -0.20 0.00 -0.55 0.00 0.00 56.30 55.52 3fbf h ASN 60 Cb 1.41 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3fbf h ASN 60 CO -0.23 1.34 -0.67 0.44 -1.65 0.00 0.00 177.43 176.65 3fbf h ASP 61 N 0.56 0.83 -0.23 5.81 3.32 -1.46 -2.21 116.42 123.03 3fbf h ASP 61 Ca -0.01 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.58 3fbf h ASP 61 Cb 1.24 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 3fbf h ASP 61 CO 0.13 1.28 -0.07 0.25 -1.72 0.00 0.00 179.24 179.11 3fbf h LEU 62 N 0.52 -0.24 -0.52 1.55 6.46 -1.05 -1.03 115.31 120.99 3fbf h LEU 62 Ca -0.02 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3fbf h LEU 62 Cb 1.28 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 3fbf h LEU 62 CO 0.14 -0.09 0.10 0.00 -0.62 0.00 0.00 178.44 177.96 3fbf h ASP 64 N 0.75 0.29 -0.70 0.00 3.32 -1.15 -2.76 116.42 116.16 3fbf h ASP 64 Ca 0.16 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3fbf h ASP 64 Cb 0.38 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3fbf h ASP 64 CO 0.01 0.21 0.46 0.15 -1.72 0.00 0.00 179.24 178.35 3fbf h PHE 65 N 0.38 0.87 0.00 4.55 3.04 -0.97 -1.74 116.94 123.08 3fbf h PHE 65 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3fbf h PHE 65 Cb 0.03 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.25 3fbf h PHE 65 CO -0.09 0.54 0.00 -1.33 -2.02 0.00 0.00 178.31 175.41 3fbf n MET 66 N -4.61 0.22 0.00 1.11 2.81 -0.72 -1.76 117.12 114.18 3fbf n MET 66 Ca 0.06 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 3fbf n MET 66 Cb 0.03 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3fbf n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3fbf n VAL 67 N -1.18 0.24 1.64 2.03 3.14 -0.73 -4.64 118.33 118.82 3fbf n VAL 67 Ca 0.06 -0.41 0.15 0.00 -2.96 0.00 0.00 64.34 61.18 3fbf n VAL 67 Cb 0.07 1.13 0.68 0.00 -1.06 0.00 0.00 33.84 34.65 3fbf n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fbf n SER 68 N -0.12 0.77 -2.21 6.55 3.41 -0.72 -4.83 113.62 116.47 3fbf n SER 68 Ca 0.00 -1.12 -0.02 0.00 -0.26 0.00 0.00 58.87 57.47 3fbf n SER 68 Cb 0.20 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3fbf n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbf n GLY 69 N 1.14 1.04 3.64 5.00 0.00 -1.26 -5.08 105.19 109.68 3fbf n GLY 69 Ca 0.19 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3fbf n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbf s PRO 70 N -2.03 0.21 -0.05 1.61 0.02 -1.11 -4.53 135.00 129.12 3fbf s PRO 70 Ca 0.12 0.64 -0.10 0.00 0.02 0.00 0.00 61.00 61.67 3fbf s PRO 70 Cb -0.02 -1.70 0.02 0.00 0.02 0.00 0.00 34.50 32.82 3fbf s PRO 70 CO 0.04 -2.91 0.25 0.42 -0.33 0.00 0.00 177.00 174.47 3fbf s ILE 71 N -2.85 0.03 -0.14 2.83 1.01 0.82 -3.25 121.20 119.65 3fbf s ILE 71 Ca 0.66 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.05 3fbf s ILE 71 Cb -0.20 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.83 3fbf s ILE 71 CO 0.59 -0.15 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 3fbf s ILE 72 N -0.56 2.40 -0.19 2.92 1.01 -0.88 -0.68 121.20 125.22 3fbf s ILE 72 Ca -0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 3fbf s ILE 72 Cb -0.04 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3fbf s ILE 72 CO 0.02 0.53 0.05 -0.94 0.00 0.00 0.00 174.94 174.60 3fbf s SER 73 N 0.75 5.48 -0.02 3.58 1.04 -0.43 0.62 113.70 124.71 3fbf s SER 73 Ca -0.08 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.41 3fbf s SER 73 Cb -0.16 -1.94 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 3fbf s SER 73 CO 0.00 0.15 -0.11 -0.63 0.98 0.00 0.00 173.24 173.64 3fbf s ILE 74 N 0.49 0.90 -0.30 -1.02 1.01 0.99 -1.35 121.20 121.92 3fbf s ILE 74 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3fbf s ILE 74 Cb -0.13 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3fbf s ILE 74 CO 0.01 0.27 0.19 -0.69 0.00 0.00 0.00 174.94 174.71 3fbf s VAL 75 N -0.03 5.03 -0.06 2.92 1.01 -0.08 -0.08 120.40 129.11 3fbf s VAL 75 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3fbf s VAL 75 Cb -0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3fbf s VAL 75 CO 0.00 0.13 0.09 -0.31 0.00 0.00 0.00 175.10 175.01 3fbf s TYR 76 N 1.70 3.37 -0.06 5.22 1.51 -0.13 -0.13 117.35 128.83 3fbf s TYR 76 Ca 0.06 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.48 3fbf s TYR 76 Cb -0.17 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3fbf s TYR 76 CO 0.09 0.59 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.90 3fbf s GLU 77 N -1.37 2.36 0.00 -0.62 2.12 0.10 -1.38 118.70 119.92 3fbf s GLU 77 Ca 0.19 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.74 3fbf s GLU 77 Cb -0.12 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.31 3fbf s GLU 77 CO 0.09 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 3fbf n GLY 78 N 3.16 1.12 3.65 -1.50 0.00 -0.90 -1.65 105.19 109.07 3fbf n GLY 78 Ca -0.18 -0.88 -0.48 0.00 0.00 0.00 0.00 46.02 44.48 3fbf n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbf n THR 79 N -0.38 0.03 -2.62 2.61 -1.04 -1.26 -1.85 114.28 109.77 3fbf n THR 79 Ca 0.00 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.84 3fbf n THR 79 Cb 0.00 -1.35 -0.00 0.00 -1.82 0.00 0.00 70.33 67.16 3fbf n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbf n ASP 80 N 3.33 -4.38 -0.18 8.00 4.64 -1.04 -4.85 116.55 122.07 3fbf n ASP 80 Ca 0.18 0.04 -0.00 0.00 -1.38 0.00 0.00 54.79 53.62 3fbf n ASP 80 Cb 0.26 -3.67 0.09 0.00 -1.04 0.00 0.00 41.12 36.75 3fbf n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbf h ALA 81 N 1.00 0.60 0.53 -1.67 0.00 -1.62 -0.92 119.26 117.17 3fbf h ALA 81 Ca -0.36 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3fbf h ALA 81 Cb 1.26 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3fbf h ALA 81 CO 0.43 -0.36 -0.33 0.82 0.00 0.00 0.00 179.25 179.81 3fbf h ILE 82 N 0.17 0.33 -0.46 0.00 2.04 -1.87 0.99 117.51 118.72 3fbf h ILE 82 Ca 0.29 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.10 3fbf h ILE 82 Cb 0.45 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3fbf h ILE 82 CO -0.44 0.00 0.07 -1.28 0.00 0.00 0.00 178.15 176.50 3fbf h SER 83 N -0.81 0.73 -0.48 1.72 0.87 -1.84 -1.67 113.55 112.06 3fbf h SER 83 Ca -0.06 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.16 3fbf h SER 83 Cb 0.66 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3fbf h SER 83 CO 0.07 0.81 0.04 0.11 -0.53 0.00 0.00 176.83 177.33 3fbf h LYS 84 N 0.62 0.83 -0.10 2.24 1.79 -1.01 -0.23 116.57 120.71 3fbf h LYS 84 Ca 0.14 -0.24 -0.22 0.00 -2.18 0.00 0.00 60.65 58.15 3fbf h LYS 84 Cb 0.40 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3fbf h LYS 84 CO 0.01 0.85 -0.80 0.82 -1.08 0.00 0.00 179.45 179.25 3fbf h ILE 85 N 0.69 1.32 -0.83 1.86 2.04 -0.82 -0.72 117.51 121.05 3fbf h ILE 85 Ca 0.14 -2.09 0.16 0.00 1.00 0.00 0.00 64.86 64.07 3fbf h ILE 85 Cb 0.45 2.09 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 3fbf h ILE 85 CO 0.02 0.65 0.38 0.03 0.00 0.00 0.00 178.15 179.23 3fbf h ARG 86 N 0.42 0.51 -0.34 2.37 2.47 -1.18 0.18 114.38 118.80 3fbf h ARG 86 Ca -0.06 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3fbf h ARG 86 Cb 1.42 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 3fbf h ARG 86 CO 0.15 0.34 0.05 -0.09 0.56 0.00 0.00 179.97 180.98 3fbf h ARG 87 N 0.52 0.57 -0.28 0.04 9.65 -0.45 -1.07 114.38 123.36 3fbf h ARG 87 Ca 0.46 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 59.20 3fbf h ARG 87 Cb 0.72 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 3fbf h ARG 87 CO -0.41 0.66 0.16 1.25 2.80 0.00 0.00 179.97 184.43 3fbf h LEU 88 N 0.40 0.26 -0.33 3.80 5.85 -0.49 -2.47 115.31 122.34 3fbf h LEU 88 Ca 0.10 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3fbf h LEU 88 Cb 0.37 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3fbf h LEU 88 CO 0.01 0.19 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.52 3fbf h GLN 89 N 0.34 -0.12 0.00 1.25 4.15 -0.39 0.23 115.11 120.57 3fbf h GLN 89 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3fbf h GLN 89 Cb -0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3fbf h GLN 89 CO -0.05 -0.08 0.00 0.41 -1.93 0.00 0.00 178.83 177.18 3fbf n GLY 90 N -1.34 2.03 3.61 2.39 0.00 -0.43 -1.66 105.19 109.79 3fbf n GLY 90 Ca 0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 3fbf n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbf s ASN 91 N -4.00 -0.04 0.00 1.61 2.20 -1.26 -4.80 114.94 108.65 3fbf s ASN 91 Ca 0.00 -0.94 0.17 0.00 -0.94 0.00 0.00 52.86 51.14 3fbf s ASN 91 Cb 0.00 0.61 0.99 0.00 -2.00 0.00 0.00 41.25 40.86 3fbf s ASN 91 CO 0.00 -1.19 1.42 2.30 -2.94 0.00 0.00 177.10 176.69 3fbf n ILE 92 N -0.40 0.00 0.18 0.54 -5.35 -1.26 -1.86 119.36 111.21 3fbf n ILE 92 Ca -0.02 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.57 3fbf n ILE 92 Cb 0.62 -0.62 -0.16 0.00 -1.74 0.00 0.00 39.64 37.74 3fbf n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbf n LEU 93 N -0.93 0.18 -4.16 7.28 4.77 -1.26 -4.76 117.00 118.13 3fbf n LEU 93 Ca 0.12 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 3fbf n LEU 93 Cb 0.06 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 3fbf n LEU 93 CO 0.09 0.05 -0.11 -0.89 -1.33 0.00 0.00 177.39 175.20 3fbf s THR 94 N -3.39 3.67 0.60 -5.08 2.01 -0.77 -5.03 115.64 107.65 3fbf s THR 94 Ca -0.05 -1.93 -0.19 0.00 0.31 0.00 0.00 61.69 59.82 3fbf s THR 94 Cb 0.14 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 3fbf s THR 94 CO 0.88 -0.72 1.29 -2.84 -0.69 0.00 0.00 174.62 172.54 3fbf s PRO 95 N 1.24 2.85 0.00 4.92 0.02 -1.26 -3.02 135.00 139.74 3fbf s PRO 95 Ca 0.07 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3fbf s PRO 95 Cb -0.24 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3fbf s PRO 95 CO -0.03 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 3fbf n GLY 96 N 0.75 3.11 3.99 0.52 0.00 -1.26 -4.95 105.19 107.35 3fbf n GLY 96 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3fbf n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbf s THR 97 N -2.86 2.70 0.10 2.61 -4.23 -1.17 -4.93 115.64 107.86 3fbf s THR 97 Ca 0.00 -0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 3fbf s THR 97 Cb 0.00 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.86 3fbf s THR 97 CO 0.00 0.00 1.51 0.40 -0.54 0.00 0.00 174.62 175.99 3fbf h ILE 98 N 0.21 1.27 -0.02 2.99 2.04 -0.54 -0.47 117.51 122.99 3fbf h ILE 98 Ca -0.40 -1.03 -0.16 0.00 1.00 0.00 0.00 64.86 64.26 3fbf h ILE 98 Cb 1.29 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3fbf h ILE 98 CO 0.48 0.33 -0.72 0.03 0.00 0.00 0.00 178.15 178.28 3fbf h ARG 99 N 0.33 0.14 -0.63 2.37 3.08 -1.53 -2.20 114.38 115.94 3fbf h ARG 99 Ca 0.08 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3fbf h ARG 99 Cb 0.50 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3fbf h ARG 99 CO 0.02 0.80 0.23 0.78 -1.07 0.00 0.00 179.97 180.73 3fbf h GLY 100 N 1.79 0.99 0.65 0.04 0.00 -1.01 -1.85 103.07 103.68 3fbf h GLY 100 Ca -0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 3fbf h GLY 100 CO 0.10 0.50 -1.58 1.22 0.00 0.00 0.00 176.54 176.78 3fbf n ASP 101 N -4.30 0.56 0.00 0.19 8.00 -0.22 -4.42 116.55 116.36 3fbf n ASP 101 Ca 0.05 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3fbf n ASP 101 Cb 0.18 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 3fbf n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbf n LEU 102 N -2.69 0.00 -4.50 0.64 4.77 -0.83 -5.08 117.00 109.31 3fbf n LEU 102 Ca -0.09 -0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.50 3fbf n LEU 102 Cb 0.76 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 3fbf n LEU 102 CO 0.43 0.00 -0.46 0.00 -1.33 0.00 0.00 177.39 176.03 3fbf s ALA 103 N -1.02 2.77 -0.33 -1.18 0.00 -0.70 -5.02 121.76 116.27 3fbf s ALA 103 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 51.96 50.42 3fbf s ALA 103 Cb 0.00 -0.45 0.43 0.00 0.00 0.00 0.00 23.12 23.10 3fbf s ALA 103 CO 0.00 0.37 1.46 -1.71 0.00 0.00 0.00 175.76 175.88 3fbf n ASN 104 N -0.21 -0.97 -3.75 0.00 5.15 -1.26 -4.74 115.26 109.47 3fbf n ASN 104 Ca -0.09 -2.20 -0.13 0.00 -0.60 0.00 0.00 54.58 51.56 3fbf n ASN 104 Cb 0.58 0.50 -0.08 0.00 -0.53 0.00 0.00 39.78 40.25 3fbf n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbf s ASP 105 N -1.59 -0.18 0.31 1.20 -1.08 -1.26 -5.03 116.67 109.05 3fbf s ASP 105 Ca 0.13 0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.43 3fbf s ASP 105 Cb 0.43 0.33 0.89 0.00 -1.46 0.00 0.00 42.92 43.10 3fbf s ASP 105 CO -0.11 -0.50 1.76 0.16 0.52 0.00 0.00 175.17 177.00 3fbf h ILE 106 N 3.65 0.00 0.00 4.11 -2.65 -2.02 -3.38 117.51 117.22 3fbf h ILE 106 Ca -0.30 -0.48 -0.13 0.00 1.03 0.00 0.00 64.86 64.98 3fbf h ILE 106 Cb 1.18 1.39 -0.02 0.00 -2.05 0.00 0.00 36.82 37.32 3fbf h ILE 106 CO 0.42 0.00 -1.37 -1.14 0.03 0.00 0.00 178.15 176.09 3fbf n ARG 107 N -2.51 0.17 -2.69 0.16 0.63 -1.26 -4.84 116.66 106.32 3fbf n ARG 107 Ca 0.03 0.07 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 3fbf n ARG 107 Cb 0.36 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.48 3fbf n ARG 107 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3fbf n GLU 108 N -3.40 3.28 -0.49 -0.14 1.02 -1.26 -4.68 120.64 114.97 3fbf n GLU 108 Ca -0.15 -3.52 0.07 0.00 -0.02 0.00 0.00 57.16 53.54 3fbf n GLU 108 Cb 0.58 -3.26 0.15 0.00 -0.02 0.00 0.00 31.44 28.90 3fbf n GLU 108 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3fbf n ASN 109 N 6.83 1.75 0.00 1.62 0.23 -1.26 -4.21 115.26 120.21 3fbf n ASN 109 Ca 0.43 -3.30 0.00 0.00 -0.53 0.00 0.00 54.58 51.19 3fbf n ASN 109 Cb 0.44 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3fbf n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbf n LEU 110 N -1.00 0.00 -3.79 -4.53 4.77 -1.26 -4.81 117.00 106.38 3fbf n LEU 110 Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3fbf n LEU 110 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3fbf n LEU 110 CO -0.02 0.00 -0.06 -0.51 -1.33 0.00 0.00 177.39 175.47 3fbf s ILE 111 N 0.00 0.03 -0.06 -0.08 2.07 -1.26 -0.09 121.20 121.81 3fbf s ILE 111 Ca 0.00 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 3fbf s ILE 111 Cb 0.00 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 3fbf s ILE 111 CO 0.00 -0.11 -0.15 -2.28 -1.91 0.00 0.00 174.94 170.49 3fbf s HIS 112 N -0.41 2.70 -0.03 3.50 5.65 -0.02 -4.95 115.29 121.72 3fbf s HIS 112 Ca -0.05 -0.23 0.03 0.00 0.25 0.00 0.00 55.06 55.05 3fbf s HIS 112 Cb -0.03 -1.65 0.00 0.00 -1.18 0.00 0.00 32.58 29.72 3fbf s HIS 112 CO 0.01 0.13 -0.10 0.00 -0.65 0.00 0.00 174.74 174.13 3fbf s ALA 113 N -0.59 0.99 0.38 1.58 0.00 -1.26 -1.20 121.76 121.65 3fbf s ALA 113 Ca 0.08 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 3fbf s ALA 113 Cb -0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 23.12 22.53 3fbf s ALA 113 CO 0.01 0.16 1.22 0.43 0.00 0.00 0.00 175.76 177.58 3fbf n SER 114 N 3.32 2.35 -0.61 0.00 7.64 -0.96 -4.91 113.62 120.45 3fbf n SER 114 Ca -0.19 1.14 0.06 0.00 1.01 0.00 0.00 58.87 60.90 3fbf n SER 114 Cb 0.54 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.40 3fbf n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbf n ASP 115 N 0.56 2.59 -3.63 6.43 5.75 -1.26 -4.63 116.55 122.36 3fbf n ASP 115 Ca 0.06 -1.79 -0.08 0.00 -0.01 0.00 0.00 54.79 52.97 3fbf n ASP 115 Cb 0.37 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 3fbf n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbf s SER 116 N -1.00 -0.13 0.18 -1.12 1.04 -1.26 -4.98 113.70 106.42 3fbf s SER 116 Ca 0.21 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.90 3fbf s SER 116 Cb 0.12 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.99 3fbf s SER 116 CO 0.16 -1.40 1.40 -0.33 0.98 0.00 0.00 173.24 174.05 3fbf h GLU 117 N 2.04 0.03 0.04 4.02 5.08 -1.98 -2.38 114.58 121.43 3fbf h GLU 117 Ca -0.23 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3fbf h GLU 117 Cb 1.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3fbf h GLU 117 CO 0.29 0.87 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.71 3fbf h ASP 118 N 0.01 -0.05 -0.76 1.42 3.32 -2.00 -3.00 116.42 115.35 3fbf h ASP 118 Ca -0.02 -0.47 0.13 0.00 0.02 0.00 0.00 57.03 56.69 3fbf h ASP 118 Cb 1.51 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.98 3fbf h ASP 118 CO 0.11 0.46 0.35 0.28 -1.72 0.00 0.00 179.24 178.73 3fbf h SER 119 N -0.58 0.40 0.49 6.45 0.02 -1.96 -1.50 113.55 116.86 3fbf h SER 119 Ca -0.01 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3fbf h SER 119 Cb 0.52 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3fbf h SER 119 CO 0.01 0.18 -0.23 0.00 -1.14 0.00 0.00 176.83 175.65 3fbf h ALA 120 N 1.51 -0.65 -0.82 3.77 0.00 -1.43 0.23 119.26 121.87 3fbf h ALA 120 Ca 0.41 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fbf h ALA 120 Cb 0.56 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3fbf h ALA 120 CO -0.35 -0.87 0.49 0.28 0.00 0.00 0.00 179.25 178.80 3fbf h VAL 121 N -0.65 1.23 0.40 0.00 2.07 -1.37 0.96 116.25 118.88 3fbf h VAL 121 Ca -0.07 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3fbf h VAL 121 Cb 0.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3fbf h VAL 121 CO 0.11 0.24 -0.19 -0.78 0.02 0.00 0.00 177.57 176.97 3fbf h ASP 122 N 1.13 -0.46 0.45 0.57 3.58 -1.07 -2.51 116.42 118.11 3fbf h ASP 122 Ca 0.29 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.62 3fbf h ASP 122 Cb -0.04 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3fbf h ASP 122 CO -0.06 -0.27 -0.45 -0.33 -2.88 0.00 0.00 179.24 175.25 3fbf h GLU 123 N -0.61 0.00 -0.19 0.28 5.08 -0.36 -1.99 114.58 116.78 3fbf h GLU 123 Ca -0.05 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3fbf h GLU 123 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3fbf h GLU 123 CO 0.09 0.45 -0.26 0.82 -1.00 0.00 0.00 179.01 179.11 3fbf h ILE 124 N 0.00 1.26 0.03 3.13 2.04 -0.74 -2.26 117.51 120.98 3fbf h ILE 124 Ca -0.00 -1.22 -0.24 0.00 1.00 0.00 0.00 64.86 64.40 3fbf h ILE 124 Cb 0.80 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3fbf h ILE 124 CO 0.06 0.38 -1.01 0.77 0.00 0.00 0.00 178.15 178.34 3fbf h SER 125 N 0.32 0.51 -0.36 1.72 4.64 -1.01 0.37 113.55 119.75 3fbf h SER 125 Ca 0.05 -0.44 0.04 0.00 -0.47 0.00 0.00 61.79 60.97 3fbf h SER 125 Cb 0.63 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3fbf h SER 125 CO 0.05 1.26 0.12 0.40 -0.87 0.00 0.00 176.83 177.79 3fbf h ILE 126 N 0.19 0.89 0.00 0.95 2.04 -1.15 -3.13 117.51 117.30 3fbf h ILE 126 Ca -0.09 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fbf h ILE 126 Cb 1.67 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3fbf h ILE 126 CO 0.17 0.05 -0.95 0.79 0.00 0.00 0.00 178.15 178.21 3fbf n TRP 127 N -5.02 0.20 -3.18 1.37 7.02 -0.87 -4.72 117.44 112.23 3fbf n TRP 127 Ca 0.01 0.06 -0.20 0.00 -1.02 0.00 0.00 57.50 56.35 3fbf n TRP 127 Cb 0.13 -0.37 -0.06 0.00 -2.42 0.00 0.00 31.31 28.59 3fbf n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3fbf n PHE 128 N -1.85 -1.71 0.92 -5.99 3.72 0.13 -5.01 117.46 107.66 3fbf n PHE 128 Ca 0.03 -2.78 0.11 0.00 -0.05 0.00 0.00 57.45 54.76 3fbf n PHE 128 Cb 0.41 0.56 0.09 0.00 -0.94 0.00 0.00 39.48 39.61 3fbf n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36