#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bii s ILE 2 N 0.00 3.83 -0.13 2.02 1.01 0.29 -1.47 121.20 126.74 3bii s ILE 2 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3bii s ILE 2 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3bii s ILE 2 CO 0.00 0.50 0.33 -0.75 0.00 0.00 0.00 174.94 175.02 3bii s LYS 3 N 0.35 4.19 -0.11 2.79 2.47 -0.96 -0.48 119.74 127.99 3bii s LYS 3 Ca -0.05 0.19 0.02 0.00 -1.56 0.00 0.00 55.97 54.57 3bii s LYS 3 Cb -0.14 -3.39 0.01 0.00 -1.46 0.00 0.00 37.83 32.85 3bii s LYS 3 CO 0.03 0.31 -0.18 0.08 0.16 0.00 0.00 175.35 175.75 3bii s VAL 4 N 0.24 1.67 0.16 4.02 1.01 0.77 -0.29 120.40 127.97 3bii s VAL 4 Ca 0.19 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3bii s VAL 4 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3bii s VAL 4 CO 0.06 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 3bii s LEU 5 N 0.83 3.28 0.03 3.92 1.43 0.66 -1.14 118.68 127.69 3bii s LEU 5 Ca -0.09 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3bii s LEU 5 Cb -0.16 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3bii s LEU 5 CO 0.00 0.11 -0.06 -0.36 0.23 0.00 0.00 176.35 176.27 3bii s PHE 6 N -1.64 0.51 0.04 0.29 0.40 -0.95 -1.09 117.98 115.54 3bii s PHE 6 Ca 0.27 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3bii s PHE 6 Cb -0.10 -0.32 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 3bii s PHE 6 CO 0.18 -0.09 -0.04 -0.06 0.70 0.00 0.00 175.22 175.91 3bii s PHE 7 N -1.12 0.45 0.00 0.36 0.40 -1.13 -4.52 117.98 112.41 3bii s PHE 7 Ca -0.09 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 3bii s PHE 7 Cb -0.08 -0.30 0.00 0.00 0.51 0.00 0.00 43.02 43.14 3bii s PHE 7 CO -0.00 -0.22 0.00 0.00 0.70 0.00 0.00 175.22 175.70 3bii n ALA 8 N 1.03 0.00 -0.35 5.36 0.00 -1.26 -2.39 120.51 122.90 3bii n ALA 8 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.36 3bii n ALA 8 Cb 0.57 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.33 3bii n ALA 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3bii h GLN 9 N 0.00 0.78 -0.33 0.00 7.50 -1.99 -1.93 115.11 119.13 3bii h GLN 9 Ca 0.00 -0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.03 3bii h GLN 9 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.34 3bii h GLN 9 CO 0.00 0.51 -0.10 0.28 -1.50 0.00 0.00 178.83 178.03 3bii h VAL 10 N 0.80 1.28 -0.90 -0.54 2.07 -1.82 -1.42 116.25 115.73 3bii h VAL 10 Ca 0.56 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3bii h VAL 10 Cb 0.83 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3bii h VAL 10 CO -0.35 0.38 0.49 -0.09 0.02 0.00 0.00 177.57 178.02 3bii h ARG 11 N 0.43 1.25 -0.16 1.57 2.43 -1.28 0.10 114.38 118.74 3bii h ARG 11 Ca 0.08 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3bii h ARG 11 Cb 0.60 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3bii h ARG 11 CO 0.04 0.92 0.08 0.93 -1.51 0.00 0.00 179.97 180.42 3bii h GLU 12 N 1.26 0.22 -0.10 0.20 5.08 -1.13 -1.75 114.58 118.35 3bii h GLU 12 Ca 0.32 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 3bii h GLU 12 Cb 0.03 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3bii h GLU 12 CO -0.05 0.25 -0.65 1.25 -1.00 0.00 0.00 179.01 178.81 3bii h LEU 13 N 0.14 0.75 -1.09 1.33 5.85 -1.04 -3.06 115.31 118.19 3bii h LEU 13 Ca 0.05 -0.66 -0.08 0.00 0.84 0.00 0.00 57.88 58.04 3bii h LEU 13 Cb 0.10 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3bii h LEU 13 CO -0.01 1.29 -0.36 -0.37 -0.34 0.00 0.00 178.44 178.65 3bii h VAL 14 N 0.26 0.94 0.00 1.05 -1.51 -0.86 -3.43 116.25 112.71 3bii h VAL 14 Ca -0.05 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 3bii h VAL 14 Cb 1.30 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 3bii h VAL 14 CO 0.13 0.35 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 3bii n GLY 15 N 0.02 0.70 3.07 5.19 0.00 -0.66 -4.94 105.19 108.57 3bii n GLY 15 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3bii n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bii s THR 16 N -2.29 0.36 0.04 2.61 -1.32 -1.24 -5.05 115.64 108.74 3bii s THR 16 Ca 0.00 -1.44 0.10 0.00 -1.21 0.00 0.00 61.69 59.13 3bii s THR 16 Cb 0.00 -1.03 -0.21 0.00 -1.51 0.00 0.00 72.50 69.75 3bii s THR 16 CO 0.00 -0.71 1.01 0.44 -2.21 0.00 0.00 174.62 173.15 3bii h ASP 17 N 3.79 0.00 -5.05 8.08 3.45 -1.89 -3.44 116.42 121.36 3bii h ASP 17 Ca -0.34 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.09 3bii h ASP 17 Cb 1.18 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.83 3bii h ASP 17 CO 0.54 0.99 0.07 0.00 -1.57 0.00 0.00 179.24 179.26 3bii s ALA 18 N -2.67 -1.18 0.14 3.45 0.00 -1.26 -2.23 121.76 118.01 3bii s ALA 18 Ca -0.01 0.07 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 3bii s ALA 18 Cb 0.09 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.10 3bii s ALA 18 CO 0.82 -0.76 0.71 -0.08 0.00 0.00 0.00 175.76 176.45 3bii s THR 19 N -3.81 0.00 0.07 0.00 -1.32 -0.29 -4.99 115.64 105.30 3bii s THR 19 Ca 0.05 -0.20 0.08 0.00 -1.21 0.00 0.00 61.69 60.40 3bii s THR 19 Cb -0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3bii s THR 19 CO -0.09 0.00 -0.16 -1.61 -2.21 0.00 0.00 174.62 170.55 3bii s GLU 20 N -3.60 2.00 -0.00 7.08 2.02 -1.26 -0.17 118.70 124.77 3bii s GLU 20 Ca 0.04 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 54.00 3bii s GLU 20 Cb -0.02 -2.19 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 3bii s GLU 20 CO -0.08 0.52 -0.03 0.14 0.02 0.00 0.00 175.26 175.82 3bii s VAL 21 N -1.04 0.26 -0.27 2.63 -7.23 0.36 -4.96 120.40 110.16 3bii s VAL 21 Ca 0.17 -0.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.92 3bii s VAL 21 Cb -0.11 -0.24 -0.10 0.00 0.56 0.00 0.00 36.38 36.50 3bii s VAL 21 CO 0.08 0.04 1.11 0.00 -0.31 0.00 0.00 175.10 176.02 3bii n ALA 22 N 2.90 0.11 -0.02 1.32 0.00 -1.26 -0.55 120.51 123.02 3bii n ALA 22 Ca -0.13 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bii n ALA 22 Cb 0.59 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 3bii n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bii n ALA 23 N 3.91 1.09 -1.07 0.00 0.00 -1.26 -4.31 120.51 118.87 3bii n ALA 23 Ca 0.28 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.77 3bii n ALA 23 Cb -0.02 -2.25 0.22 0.00 0.00 0.00 0.00 19.45 17.40 3bii n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bii n ASP 24 N 2.99 3.33 -4.13 0.00 8.00 -1.26 -4.66 116.55 120.82 3bii n ASP 24 Ca 0.01 -3.13 -0.30 0.00 0.71 0.00 0.00 54.79 52.07 3bii n ASP 24 Cb 0.02 -0.53 -0.17 0.00 -0.02 0.00 0.00 41.12 40.42 3bii n ASP 24 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bii s PHE 25 N -2.90 2.32 0.37 1.24 0.40 -1.26 -5.02 117.98 113.13 3bii s PHE 25 Ca 0.40 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.71 3bii s PHE 25 Cb 0.33 -1.61 0.71 0.00 0.51 0.00 0.00 43.02 42.97 3bii s PHE 25 CO 0.06 -0.50 1.94 -1.00 0.70 0.00 0.00 175.22 176.43 3bii h PRO 26 N 7.18 0.51 -4.18 0.24 0.13 -1.93 -3.38 132.00 130.58 3bii h PRO 26 Ca -0.29 -0.08 -0.15 0.00 -0.87 0.00 0.00 66.00 64.61 3bii h PRO 26 Cb 1.20 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 3bii h PRO 26 CO 0.51 0.47 -0.49 0.95 -0.23 0.00 0.00 178.00 179.21 3bii s THR 27 N -5.15 0.08 0.11 1.56 -4.23 -1.26 -2.20 115.64 104.55 3bii s THR 27 Ca -0.08 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.47 3bii s THR 27 Cb 0.16 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.92 3bii s THR 27 CO 0.75 -0.35 1.62 0.58 -0.54 0.00 0.00 174.62 176.69 3bii h VAL 28 N 2.69 0.34 -0.95 2.29 2.07 -0.82 -1.27 116.25 120.60 3bii h VAL 28 Ca -0.33 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.48 3bii h VAL 28 Cb 1.22 0.34 -0.15 0.00 -1.52 0.00 0.00 31.29 31.17 3bii h VAL 28 CO 0.53 0.00 0.34 -0.08 0.02 0.00 0.00 177.57 178.39 3bii h GLU 29 N -0.54 0.18 -0.46 1.57 4.57 -0.49 0.31 114.58 119.73 3bii h GLU 29 Ca 0.03 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3bii h GLU 29 Cb 0.56 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3bii h GLU 29 CO -0.17 0.12 0.10 0.00 -1.18 0.00 0.00 179.01 177.88 3bii h ALA 30 N 1.86 0.60 -0.33 2.92 0.00 -1.53 -0.13 119.26 122.65 3bii h ALA 30 Ca 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 3bii h ALA 30 Cb 1.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3bii h ALA 30 CO -0.69 0.30 0.12 1.25 0.00 0.00 0.00 179.25 180.23 3bii h LEU 31 N 0.61 0.47 0.04 0.00 5.85 -0.32 -1.86 115.31 120.09 3bii h LEU 31 Ca 0.14 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3bii h LEU 31 Cb 0.34 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3bii h LEU 31 CO 0.00 0.52 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.29 3bii h ARG 32 N 0.39 -0.39 -0.89 1.25 2.43 -0.18 -0.17 114.38 116.82 3bii h ARG 32 Ca 0.11 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.41 3bii h ARG 32 Cb 0.21 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 3bii h ARG 32 CO -0.01 -0.26 0.53 1.96 -1.51 0.00 0.00 179.97 180.68 3bii h GLN 33 N -0.40 0.85 -0.23 0.20 4.20 -0.94 -1.09 115.11 117.70 3bii h GLN 33 Ca 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3bii h GLN 33 Cb 0.47 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3bii h GLN 33 CO -0.19 0.56 0.11 1.25 -0.67 0.00 0.00 178.83 179.89 3bii h HIS 34 N 0.88 0.34 -0.15 2.96 2.76 -0.54 -2.62 115.15 118.77 3bii h HIS 34 Ca 0.43 -0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.43 3bii h HIS 34 Cb 0.38 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3bii h HIS 34 CO -0.04 0.34 -0.54 0.52 -1.30 0.00 0.00 177.93 176.91 3bii h MET 35 N 0.24 0.44 -0.29 5.26 2.86 -0.40 -2.75 114.93 120.30 3bii h MET 35 Ca 0.08 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3bii h MET 35 Cb 0.13 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3bii h MET 35 CO -0.01 0.87 0.08 0.00 1.06 0.00 0.00 176.91 178.91 3bii h ALA 36 N 1.08 1.60 0.00 6.32 0.00 -1.17 -2.44 119.26 124.65 3bii h ALA 36 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bii h ALA 36 Cb 1.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bii h ALA 36 CO 0.10 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3bii n ALA 37 N -2.49 2.61 0.07 0.00 0.00 -1.00 -2.67 120.51 117.04 3bii n ALA 37 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 3bii n ALA 37 Cb 0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 3bii n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3bii h GLN 38 N 0.00 0.32 -2.44 0.00 1.08 -1.49 -3.48 115.11 109.09 3bii h GLN 38 Ca 0.00 -0.33 0.16 0.00 -1.45 0.00 0.00 58.65 57.03 3bii h GLN 38 Cb 0.00 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 3bii h GLN 38 CO 0.00 1.02 0.53 -1.54 -0.95 0.00 0.00 178.83 177.89 3bii s SER 39 N -7.01 -0.08 0.18 1.46 1.04 -1.25 -5.02 113.70 103.04 3bii s SER 39 Ca -0.05 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 3bii s SER 39 Cb 0.10 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.80 3bii s SER 39 CO 0.85 -0.98 1.64 0.44 0.98 0.00 0.00 173.24 176.17 3bii h ASP 40 N 2.00 1.06 -0.50 7.02 3.32 -1.93 -1.54 116.42 125.86 3bii h ASP 40 Ca -0.26 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.43 3bii h ASP 40 Cb 1.23 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3bii h ASP 40 CO 0.31 1.11 0.11 0.03 -1.72 0.00 0.00 179.24 179.08 3bii h ARG 41 N 0.99 0.81 -0.59 3.56 3.08 -1.92 -0.64 114.38 119.66 3bii h ARG 41 Ca 0.17 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3bii h ARG 41 Cb 0.57 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3bii h ARG 41 CO 0.03 0.79 0.05 -1.49 -1.07 0.00 0.00 179.97 178.28 3bii h TRP 42 N 0.69 1.04 -0.58 3.04 4.06 -1.80 0.27 115.95 122.67 3bii h TRP 42 Ca 0.15 -0.15 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 3bii h TRP 42 Cb 0.35 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 3bii h TRP 42 CO 0.02 0.90 -0.04 0.00 -3.56 0.00 0.00 178.44 175.76 3bii h ALA 43 N 1.14 0.79 -0.39 1.49 0.00 -1.05 0.33 119.26 121.56 3bii h ALA 43 Ca 0.18 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3bii h ALA 43 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3bii h ALA 43 CO 0.02 0.67 -0.06 1.25 0.00 0.00 0.00 179.25 181.12 3bii h LEU 44 N 0.95 0.73 -0.78 0.00 5.85 -0.77 -1.92 115.31 119.38 3bii h LEU 44 Ca 0.16 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3bii h LEU 44 Cb 0.61 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3bii h LEU 44 CO 0.04 0.90 0.35 0.00 -0.34 0.00 0.00 178.44 179.39 3bii h ALA 45 N 0.86 1.01 -0.39 1.25 0.00 -0.21 -3.33 119.26 118.45 3bii h ALA 45 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3bii h ALA 45 Cb 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bii h ALA 45 CO 0.03 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.16 3bii n LEU 46 N -4.34 3.44 -0.00 0.00 4.77 0.11 -4.47 117.00 116.51 3bii n LEU 46 Ca 0.07 -2.30 0.06 0.00 -0.03 0.00 0.00 56.01 53.82 3bii n LEU 46 Cb 0.15 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 3bii n LEU 46 CO 0.40 0.74 -0.20 -0.62 -1.33 0.00 0.00 177.39 176.38 3bii n GLU 47 N 0.41 2.04 -1.57 3.23 1.02 -0.73 -4.94 120.64 120.11 3bii n GLU 47 Ca 0.16 -0.03 -0.47 0.00 -0.02 0.00 0.00 57.16 56.80 3bii n GLU 47 Cb 0.61 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 3bii n GLU 47 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bii n ASP 48 N -1.49 1.15 0.09 1.62 2.03 -1.26 -4.87 116.55 113.82 3bii n ASP 48 Ca 0.01 1.15 0.12 0.00 0.52 0.00 0.00 54.79 56.60 3bii n ASP 48 Cb 0.25 -1.22 0.61 0.00 -0.72 0.00 0.00 41.12 40.03 3bii n ASP 48 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3bii h GLY 49 N 2.71 0.17 0.45 0.27 0.00 -2.00 -2.87 103.07 101.80 3bii h GLY 49 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3bii h GLY 49 CO 0.66 0.04 -0.10 0.28 0.00 0.00 0.00 176.54 177.42 3bii n LYS 50 N -4.47 0.99 -1.64 4.80 5.02 -1.26 -4.91 118.16 116.69 3bii n LYS 50 Ca 0.04 -0.44 -0.48 0.00 -2.02 0.00 0.00 58.31 55.42 3bii n LYS 50 Cb 0.29 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3bii n LYS 50 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3bii n LEU 51 N -0.62 2.62 -4.96 -0.35 7.94 -1.09 -4.20 117.00 116.35 3bii n LEU 51 Ca 0.16 1.10 -0.23 0.00 -1.11 0.00 0.00 56.01 55.93 3bii n LEU 51 Cb 0.29 -1.35 -0.02 0.00 0.53 0.00 0.00 43.42 42.87 3bii n LEU 51 CO 0.22 -0.55 -0.03 -0.76 -1.11 0.00 0.00 177.39 175.16 3bii s LEU 52 N 0.74 4.29 0.09 -1.96 1.43 0.29 -4.98 118.68 118.57 3bii s LEU 52 Ca 0.80 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 3bii s LEU 52 Cb -0.77 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3bii s LEU 52 CO 0.41 -0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.84 3bii s ALA 53 N -1.93 1.03 -0.02 4.21 0.00 -1.26 -2.54 121.76 121.25 3bii s ALA 53 Ca 0.35 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 3bii s ALA 53 Cb -0.10 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3bii s ALA 53 CO 0.29 -0.03 0.14 0.00 0.00 0.00 0.00 175.76 176.16 3bii s ALA 54 N -2.27 -0.34 -0.09 0.00 0.00 -0.46 -2.85 121.76 115.76 3bii s ALA 54 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3bii s ALA 54 Cb -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3bii s ALA 54 CO -0.00 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 175.54 3bii s VAL 55 N -0.78 1.37 -1.30 0.00 1.01 -0.03 -1.70 120.40 118.97 3bii s VAL 55 Ca -0.09 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3bii s VAL 55 Cb -0.05 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.12 3bii s VAL 55 CO 0.01 0.41 0.52 0.59 0.00 0.00 0.00 175.10 176.63 3bii n ASN 56 N 3.96 -2.83 -1.69 3.32 3.02 0.16 -1.16 115.26 120.03 3bii n ASN 56 Ca -0.21 -1.26 -0.20 0.00 -0.03 0.00 0.00 54.58 52.88 3bii n ASN 56 Cb 0.52 -1.86 -0.08 0.00 -0.61 0.00 0.00 39.78 37.75 3bii n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bii n GLN 57 N -4.85 -1.48 -5.19 3.52 3.00 -1.26 -4.97 117.38 106.14 3bii n GLN 57 Ca -0.17 1.18 -0.30 0.00 -0.01 0.00 0.00 57.00 57.70 3bii n GLN 57 Cb 0.60 -5.59 -0.16 0.00 0.00 0.00 0.00 30.24 25.09 3bii n GLN 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 3bii s THR 58 N -2.77 1.90 0.14 5.09 -1.32 -0.31 -5.10 115.64 113.27 3bii s THR 58 Ca 0.00 -1.02 -0.31 0.00 -1.21 0.00 0.00 61.69 59.15 3bii s THR 58 Cb 0.00 -1.58 -0.09 0.00 -1.51 0.00 0.00 72.50 69.32 3bii s THR 58 CO 0.00 0.54 1.43 -0.22 -2.21 0.00 0.00 174.62 174.15 3bii s LEU 59 N -0.48 4.37 0.09 9.08 2.96 -1.26 -0.85 118.68 132.60 3bii s LEU 59 Ca 0.07 2.42 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 3bii s LEU 59 Cb -0.10 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3bii s LEU 59 CO -0.00 -0.69 -0.06 0.68 -1.32 0.00 0.00 176.35 174.96 3bii s VAL 60 N 0.99 0.64 0.83 1.68 -7.23 -1.13 -4.93 120.40 111.24 3bii s VAL 60 Ca 0.65 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3bii s VAL 60 Cb -0.39 -1.66 0.09 0.00 0.56 0.00 0.00 36.38 34.98 3bii s VAL 60 CO 0.32 -0.88 1.10 -0.94 -0.31 0.00 0.00 175.10 174.38 3bii s SER 61 N -3.02 4.22 0.52 4.85 1.04 -1.26 -4.46 113.70 115.59 3bii s SER 61 Ca 0.11 1.30 0.32 0.00 0.48 0.00 0.00 55.95 58.16 3bii s SER 61 Cb 0.05 -2.00 1.28 0.00 0.10 0.00 0.00 66.02 65.45 3bii s SER 61 CO -0.05 -2.14 1.94 -0.26 0.98 0.00 0.00 173.24 173.71 3bii h PHE 62 N -1.21 0.00 0.00 5.02 -1.00 -1.98 -2.55 116.94 115.22 3bii h PHE 62 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3bii h PHE 62 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 3bii h PHE 62 CO 0.44 0.00 0.00 -0.44 -1.61 0.00 0.00 178.31 176.70 3bii h ASP 63 N 0.00 0.00 -2.15 2.17 3.32 -1.96 0.39 116.42 118.19 3bii h ASP 63 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3bii h ASP 63 Cb 0.52 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.13 3bii h ASP 63 CO 0.00 0.00 0.74 1.57 -1.72 0.00 0.00 179.24 179.83 3bii n HIS 64 N -2.42 2.13 -2.20 4.55 -0.00 -0.96 -4.63 115.22 111.69 3bii n HIS 64 Ca 0.02 0.33 -0.34 0.00 0.46 0.00 0.00 57.72 58.19 3bii n HIS 64 Cb 0.25 -2.51 0.01 0.00 -0.12 0.00 0.00 29.99 27.61 3bii n HIS 64 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3bii s PRO 65 N 0.94 3.32 0.27 1.57 0.04 -1.26 -0.79 135.00 139.09 3bii s PRO 65 Ca 0.80 1.53 0.05 0.00 0.04 0.00 0.00 61.00 63.42 3bii s PRO 65 Cb -0.73 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 3bii s PRO 65 CO 0.40 -0.86 0.41 -0.51 0.04 0.00 0.00 177.00 176.48 3bii s LEU 66 N -3.96 4.21 -0.15 -3.56 1.43 -0.94 -4.78 118.68 110.93 3bii s LEU 66 Ca 0.71 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 3bii s LEU 66 Cb -0.22 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.16 3bii s LEU 66 CO 0.29 -0.18 0.37 -0.89 0.23 0.00 0.00 176.35 176.17 3bii s THR 67 N -2.06 -0.01 -0.35 5.49 2.01 -1.26 -4.92 115.64 114.54 3bii s THR 67 Ca 0.37 0.04 -0.38 0.00 0.31 0.00 0.00 61.69 62.03 3bii s THR 67 Cb -0.09 -0.54 -0.17 0.00 0.01 0.00 0.00 72.50 71.72 3bii s THR 67 CO 0.30 0.02 1.26 -0.67 -0.69 0.00 0.00 174.62 174.84 3bii n ASP 68 N 3.43 0.86 0.00 3.53 2.03 -1.26 -1.36 116.55 123.78 3bii n ASP 68 Ca -0.17 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.12 3bii n ASP 68 Cb 0.56 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 3bii n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bii n GLY 69 N 3.01 0.63 3.81 0.27 0.00 -0.54 -4.98 105.19 107.39 3bii n GLY 69 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3bii n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bii s ASP 70 N -2.33 5.72 -0.27 1.61 1.01 -0.46 -4.91 116.67 117.03 3bii s ASP 70 Ca 0.00 1.72 -0.07 0.00 0.71 0.00 0.00 52.55 54.90 3bii s ASP 70 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 3bii s ASP 70 CO 0.00 -1.21 0.08 -0.70 0.21 0.00 0.00 175.17 173.55 3bii s GLU 71 N -4.43 3.45 -0.08 8.23 2.12 -1.26 -2.27 118.70 124.45 3bii s GLU 71 Ca 0.61 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.32 3bii s GLU 71 Cb -0.15 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 3bii s GLU 71 CO 0.43 -0.29 -0.07 0.08 -0.54 0.00 0.00 175.26 174.87 3bii s VAL 72 N 1.58 3.67 -0.04 3.70 1.01 0.61 0.40 120.40 131.33 3bii s VAL 72 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3bii s VAL 72 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3bii s VAL 72 CO 0.03 0.58 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 3bii s ALA 73 N -0.58 0.83 -0.04 5.51 0.00 -0.69 -0.24 121.76 126.55 3bii s ALA 73 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.84 3bii s ALA 73 Cb -0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3bii s ALA 73 CO 0.02 0.08 -0.09 -0.06 0.00 0.00 0.00 175.76 175.71 3bii s PHE 74 N 0.50 2.86 0.05 0.00 0.40 -0.25 -1.35 117.98 120.19 3bii s PHE 74 Ca -0.08 -0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 55.94 3bii s PHE 74 Cb -0.11 -1.65 0.09 0.00 0.51 0.00 0.00 43.02 41.85 3bii s PHE 74 CO 0.01 0.31 0.74 -0.59 0.70 0.00 0.00 175.22 176.39 3bii s PHE 75 N -0.85 -0.47 0.87 0.36 -0.12 -1.05 -2.86 117.98 113.85 3bii s PHE 75 Ca 0.14 0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 57.30 3bii s PHE 75 Cb -0.11 0.52 0.12 0.00 -0.63 0.00 0.00 43.02 42.93 3bii s PHE 75 CO 0.03 -0.67 1.23 -1.25 -0.05 0.00 0.00 175.22 174.51 3bii s PRO 76 N -3.00 1.47 0.24 1.99 0.04 -1.26 -0.55 135.00 133.92 3bii s PRO 76 Ca 0.01 -0.09 -0.29 0.00 0.04 0.00 0.00 61.00 60.66 3bii s PRO 76 Cb -0.01 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.47 3bii s PRO 76 CO -0.08 -1.90 0.95 -2.30 0.04 0.00 0.00 177.00 173.71 3bii n PRO 77 N -3.48 1.02 -2.45 0.56 -0.02 -1.26 -4.74 135.00 124.63 3bii n PRO 77 Ca 0.11 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3bii n PRO 77 Cb 0.60 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 3bii n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bii s VAL 78 N -0.83 4.52 -0.12 -1.45 -7.23 -1.26 -5.00 120.40 109.03 3bii s VAL 78 Ca 0.64 1.23 0.18 0.00 -1.81 0.00 0.00 61.98 62.22 3bii s VAL 78 Cb -0.79 -3.71 0.43 0.00 0.56 0.00 0.00 36.38 32.87 3bii s VAL 78 CO 0.57 -0.65 1.19 0.35 -0.31 0.00 0.00 175.10 176.25 3bii n THR 79 N -1.48 1.14 1.77 5.32 -2.24 -1.26 -5.29 114.28 112.25 3bii n THR 79 Ca 0.07 -2.22 0.14 0.00 -2.27 0.00 0.00 64.05 59.77 3bii n THR 79 Cb 0.54 0.37 0.84 0.00 -2.10 0.00 0.00 70.33 69.98 3bii n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11