#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b93 s GLU 2 N 0.00 4.43 0.13 2.12 0.41 -1.26 -4.98 118.70 119.55 1b93 s GLU 2 Ca 0.00 1.16 0.02 0.00 -0.41 0.00 0.00 54.97 55.74 1b93 s GLU 2 Cb 0.00 -3.50 -0.04 0.00 -1.78 0.00 0.00 34.13 28.81 1b93 s GLU 2 CO 0.00 -0.15 0.24 -0.51 -0.49 0.00 0.00 175.26 174.35 1b93 s LEU 3 N 1.45 4.24 0.00 1.80 1.43 -1.26 0.97 118.68 127.31 1b93 s LEU 3 Ca 0.44 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1b93 s LEU 3 Cb -0.18 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1b93 s LEU 3 CO 0.19 0.08 0.00 1.07 0.23 0.00 0.00 176.35 177.92 1b93 n THR 4 N -0.31 0.00 -4.42 5.49 5.66 0.13 -4.68 114.28 116.16 1b93 n THR 4 Ca -0.07 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.65 1b93 n THR 4 Cb 0.53 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.18 1b93 n THR 4 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1b93 s THR 5 N -1.92 2.15 -0.01 1.09 2.01 -1.26 -0.93 115.64 116.77 1b93 s THR 5 Ca 0.00 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.28 1b93 s THR 5 Cb 0.00 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1b93 s THR 5 CO 0.00 0.09 0.07 -0.60 -0.69 0.00 0.00 174.62 173.49 1b93 s ARG 6 N -1.96 0.22 -0.19 4.92 3.52 -0.85 -4.92 118.95 119.68 1b93 s ARG 6 Ca 0.13 -0.13 -0.05 0.00 -0.13 0.00 0.00 55.73 55.54 1b93 s ARG 6 Cb -0.10 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1b93 s ARG 6 CO 0.05 -0.04 -0.01 0.99 -0.81 0.00 0.00 175.30 175.49 1b93 s THR 7 N -0.54 3.93 -0.05 4.11 2.01 -1.26 -0.64 115.64 123.20 1b93 s THR 7 Ca -0.06 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1b93 s THR 7 Cb -0.04 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1b93 s THR 7 CO 0.00 0.44 0.99 -0.76 -0.69 0.00 0.00 174.62 174.60 1b93 s LEU 8 N 0.92 4.32 0.76 4.42 1.43 0.44 -4.87 118.68 126.10 1b93 s LEU 8 Ca 0.01 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.57 1b93 s LEU 8 Cb -0.14 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.58 1b93 s LEU 8 CO 0.02 -0.34 1.18 -2.16 0.23 0.00 0.00 176.35 175.28 1b93 s PRO 9 N 1.44 1.96 0.39 1.29 0.04 -1.26 -1.06 135.00 137.80 1b93 s PRO 9 Ca 0.50 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.27 1b93 s PRO 9 Cb -0.20 -1.82 0.81 0.00 0.04 0.00 0.00 34.50 33.33 1b93 s PRO 9 CO 0.23 -1.95 2.02 0.00 0.04 0.00 0.00 177.00 177.34 1b93 h ALA 10 N -0.64 1.71 -2.16 8.56 0.00 -1.82 -3.31 119.26 121.61 1b93 h ALA 10 Ca -0.46 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 53.69 1b93 h ALA 10 Cb 1.28 -0.18 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 1b93 h ALA 10 CO 0.48 0.23 -0.17 0.50 0.00 0.00 0.00 179.25 180.30 1b93 s ARG 11 N -5.57 3.02 0.51 0.00 3.52 -1.26 -4.18 118.95 114.98 1b93 s ARG 11 Ca -0.09 -1.34 -0.11 0.00 -0.13 0.00 0.00 55.73 54.06 1b93 s ARG 11 Cb 0.18 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 1b93 s ARG 11 CO 0.75 -1.21 0.89 0.15 -0.81 0.00 0.00 175.30 175.07 1b93 s LYS 12 N 1.97 3.71 -0.43 5.12 -0.14 -1.25 -4.85 119.74 123.87 1b93 s LYS 12 Ca 0.07 0.59 -0.12 0.00 -1.36 0.00 0.00 55.97 55.15 1b93 s LYS 12 Cb -0.25 -2.24 0.07 0.00 -1.68 0.00 0.00 37.83 33.73 1b93 s LYS 12 CO 0.07 -0.28 0.31 -1.01 -0.76 0.00 0.00 175.35 173.68 1b93 s HIS 13 N -2.75 3.28 -0.19 3.18 3.76 -1.26 -1.26 115.29 120.05 1b93 s HIS 13 Ca 0.53 -1.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.18 1b93 s HIS 13 Cb -0.10 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1b93 s HIS 13 CO 0.41 -0.79 0.08 0.42 -0.85 0.00 0.00 174.74 174.00 1b93 s ILE 14 N 1.54 4.85 -0.20 0.60 1.01 0.55 -0.78 121.20 128.77 1b93 s ILE 14 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 1b93 s ILE 14 Cb -0.23 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1b93 s ILE 14 CO 0.05 0.44 0.11 0.00 0.00 0.00 0.00 174.94 175.54 1b93 s ALA 15 N 0.51 3.57 -0.27 9.38 0.00 -0.43 -0.89 121.76 133.62 1b93 s ALA 15 Ca 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1b93 s ALA 15 Cb -0.13 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1b93 s ALA 15 CO 0.01 0.08 -0.02 -0.51 0.00 0.00 0.00 175.76 175.32 1b93 s LEU 16 N 0.53 3.55 -0.08 0.00 1.43 0.11 -0.79 118.68 123.43 1b93 s LEU 16 Ca 0.06 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1b93 s LEU 16 Cb -0.12 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1b93 s LEU 16 CO 0.00 -0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.55 1b93 s VAL 17 N 1.31 1.37 0.02 -1.59 1.01 0.16 -3.43 120.40 119.25 1b93 s VAL 17 Ca -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1b93 s VAL 17 Cb -0.18 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1b93 s VAL 17 CO -0.02 0.41 -0.04 0.00 0.00 0.00 0.00 175.10 175.44 1b93 s ALA 18 N 0.72 0.28 0.38 5.51 0.00 -1.26 -0.40 121.76 126.98 1b93 s ALA 18 Ca -0.13 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 1b93 s ALA 18 Cb -0.16 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 1b93 s ALA 18 CO 0.03 -0.06 0.74 -1.01 0.00 0.00 0.00 175.76 175.46 1b93 s HIS 19 N -1.04 3.46 0.18 0.00 3.76 -0.86 -4.84 115.29 115.94 1b93 s HIS 19 Ca -0.09 1.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.74 1b93 s HIS 19 Cb -0.07 -2.42 0.23 0.00 1.11 0.00 0.00 32.58 31.42 1b93 s HIS 19 CO -0.00 -0.05 1.14 -0.25 -0.85 0.00 0.00 174.74 174.73 1b93 n ASP 20 N -1.12 -0.41 0.00 1.40 8.00 -1.26 0.79 116.55 123.95 1b93 n ASP 20 Ca 0.02 1.27 0.12 0.00 0.71 0.00 0.00 54.79 56.91 1b93 n ASP 20 Cb 0.54 -0.32 0.70 0.00 -0.02 0.00 0.00 41.12 42.01 1b93 n ASP 20 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1b93 n HIS 21 N -5.11 0.00 -0.01 1.24 8.25 -1.26 -2.64 115.22 115.68 1b93 n HIS 21 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 1b93 n HIS 21 Cb 0.32 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.45 1b93 n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b93 h LYS 23 N 0.34 0.33 -0.25 0.00 3.64 -1.22 -1.33 116.57 118.08 1b93 h LYS 23 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1b93 h LYS 23 Cb 0.44 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1b93 h LYS 23 CO 0.00 0.24 0.06 0.37 -2.27 0.00 0.00 179.45 177.85 1b93 h GLN 24 N 0.31 0.40 -0.92 1.90 5.75 -1.84 0.86 115.11 121.58 1b93 h GLN 24 Ca 0.09 -0.10 0.15 0.00 -0.15 0.00 0.00 58.65 58.64 1b93 h GLN 24 Cb -0.00 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.40 1b93 h GLN 24 CO -0.02 0.51 0.52 1.98 -2.65 0.00 0.00 178.83 179.17 1b93 h MET 25 N 0.23 0.72 -0.03 1.69 4.05 -1.82 0.68 114.93 120.45 1b93 h MET 25 Ca 0.08 -0.04 -0.26 0.00 -0.28 0.00 0.00 59.70 59.20 1b93 h MET 25 Cb 0.29 -0.16 0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1b93 h MET 25 CO 0.00 0.48 -1.00 1.25 0.23 0.00 0.00 176.91 177.87 1b93 h LEU 26 N 0.74 0.90 -0.04 3.39 5.85 -0.88 -2.71 115.31 122.56 1b93 h LEU 26 Ca 0.49 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1b93 h LEU 26 Cb 0.66 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1b93 h LEU 26 CO -0.34 1.50 -0.11 0.24 -0.34 0.00 0.00 178.44 179.38 1b93 h MET 27 N 0.41 -0.16 -0.70 1.25 2.86 0.07 -0.19 114.93 118.46 1b93 h MET 27 Ca -0.11 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1b93 h MET 27 Cb 1.64 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 33.27 1b93 h MET 27 CO 0.20 -0.11 0.34 0.77 1.06 0.00 0.00 176.91 179.16 1b93 h SER 28 N -0.17 0.42 -0.52 1.22 0.02 -0.95 -0.88 113.55 112.69 1b93 h SER 28 Ca 0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1b93 h SER 28 Cb 0.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1b93 h SER 28 CO -0.14 0.23 0.19 -0.25 -1.14 0.00 0.00 176.83 175.72 1b93 h TRP 29 N 0.57 0.81 -0.42 3.45 7.01 -1.06 -1.48 115.95 124.84 1b93 h TRP 29 Ca 0.35 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 1b93 h TRP 29 Cb 0.40 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1b93 h TRP 29 CO -0.12 0.68 0.15 0.28 -2.79 0.00 0.00 178.44 176.64 1b93 h VAL 30 N 0.71 1.21 -0.17 2.65 2.07 -0.40 -2.56 116.25 119.76 1b93 h VAL 30 Ca 0.17 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1b93 h VAL 30 Cb 0.23 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1b93 h VAL 30 CO -0.01 0.24 0.11 -0.33 0.02 0.00 0.00 177.57 177.60 1b93 h GLU 31 N 0.53 0.23 -0.06 1.57 5.08 -1.03 0.99 114.58 121.89 1b93 h GLU 31 Ca 0.14 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1b93 h GLU 31 Cb 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1b93 h GLU 31 CO -0.01 0.19 0.06 -0.09 -1.00 0.00 0.00 179.01 178.15 1b93 h ARG 32 N 0.21 0.00 -0.16 2.33 2.43 -1.15 -2.45 114.38 115.59 1b93 h ARG 32 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1b93 h ARG 32 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1b93 h ARG 32 CO -0.01 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.17 1b93 n HIS 33 N -4.02 0.28 -0.33 2.20 8.25 -0.98 -4.81 115.22 115.81 1b93 n HIS 33 Ca -0.02 -0.60 0.07 0.00 -0.26 0.00 0.00 57.72 56.91 1b93 n HIS 33 Cb 0.15 -0.08 0.17 0.00 1.12 0.00 0.00 29.99 31.35 1b93 n HIS 33 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1b93 h GLN 34 N 0.96 0.01 -0.96 -0.41 4.15 -0.30 0.03 115.11 118.59 1b93 h GLN 34 Ca 0.00 -0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1b93 h GLN 34 Cb 0.76 -0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.35 1b93 h GLN 34 CO 0.03 0.01 0.57 -1.35 -1.93 0.00 0.00 178.83 176.15 1b93 h PRO 35 N 0.01 0.82 0.01 -2.39 0.11 -1.87 0.40 132.00 129.09 1b93 h PRO 35 Ca 0.49 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 1b93 h PRO 35 Cb 0.83 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.77 1b93 h PRO 35 CO -0.94 0.54 -0.47 -0.07 -0.21 0.00 0.00 178.00 176.85 1b93 h LEU 36 N 0.84 0.39 -1.67 2.35 4.07 -1.42 -3.29 115.31 116.57 1b93 h LEU 36 Ca 0.50 -0.80 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 1b93 h LEU 36 Cb 0.62 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1b93 h LEU 36 CO -0.31 1.14 0.16 -0.07 -1.08 0.00 0.00 178.44 178.28 1b93 h LEU 37 N -0.31 0.34 -1.50 1.67 3.38 -0.83 -1.92 115.31 116.13 1b93 h LEU 37 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1b93 h LEU 37 Cb 1.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1b93 h LEU 37 CO 0.09 0.27 0.07 -0.08 0.09 0.00 0.00 178.44 178.88 1b93 h GLU 38 N 0.39 0.00 -0.01 1.13 4.81 -0.29 -0.38 114.58 120.23 1b93 h GLU 38 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1b93 h GLU 38 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b93 h GLU 38 CO -0.02 0.00 -0.14 1.04 -0.73 0.00 0.00 179.01 179.16 1b93 n GLN 39 N -2.32 1.44 -4.77 1.92 6.02 -0.72 -4.96 117.38 113.99 1b93 n GLN 39 Ca -0.02 -0.96 -0.34 0.00 -0.01 0.00 0.00 57.00 55.68 1b93 n GLN 39 Cb 0.11 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 1b93 n GLN 39 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1b93 s HIS 40 N -2.22 1.77 -0.26 1.08 3.76 -0.15 -4.80 115.29 114.48 1b93 s HIS 40 Ca 0.30 -0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 54.10 1b93 s HIS 40 Cb 0.20 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 1b93 s HIS 40 CO 0.42 0.19 0.20 0.08 -0.85 0.00 0.00 174.74 174.78 1b93 s VAL 41 N -2.90 5.32 -0.02 -0.90 1.01 -0.39 -5.01 120.40 117.50 1b93 s VAL 41 Ca 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1b93 s VAL 41 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1b93 s VAL 41 CO 0.01 0.29 0.06 -0.76 0.00 0.00 0.00 175.10 174.70 1b93 s LEU 42 N 1.45 3.84 0.02 3.92 1.43 -1.26 -0.33 118.68 127.75 1b93 s LEU 42 Ca 0.08 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1b93 s LEU 42 Cb -0.15 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1b93 s LEU 42 CO 0.08 0.30 -0.07 -0.31 0.23 0.00 0.00 176.35 176.58 1b93 s TYR 43 N -1.12 0.63 0.01 0.29 1.51 -0.07 -0.29 117.35 118.30 1b93 s TYR 43 Ca 0.20 -0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 55.75 1b93 s TYR 43 Cb -0.12 -0.38 0.03 0.00 -0.11 0.00 0.00 41.96 41.38 1b93 s TYR 43 CO 0.11 -0.05 0.40 0.00 -1.11 0.00 0.00 175.55 174.91 1b93 s ALA 44 N -0.85 -1.01 0.18 3.71 0.00 -0.26 0.08 121.76 123.61 1b93 s ALA 44 Ca -0.05 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1b93 s ALA 44 Cb -0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1b93 s ALA 44 CO 0.00 -0.37 0.38 0.95 0.00 0.00 0.00 175.76 176.73 1b93 s THR 45 N -1.86 5.19 0.00 0.00 -4.23 -1.22 -0.43 115.64 113.09 1b93 s THR 45 Ca -0.09 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1b93 s THR 45 Cb -0.02 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1b93 s THR 45 CO 0.02 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1b93 n GLY 46 N -0.35 1.32 0.09 3.99 0.00 -0.81 -3.36 105.19 106.07 1b93 n GLY 46 Ca -0.04 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1b93 n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b93 n THR 47 N 0.00 0.55 -0.33 2.61 -2.24 -1.26 -3.76 114.28 109.85 1b93 n THR 47 Ca 0.00 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1b93 n THR 47 Cb 0.00 -0.66 0.30 0.00 -2.10 0.00 0.00 70.33 67.87 1b93 n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1b93 h THR 48 N 0.00 0.86 -0.85 4.28 2.02 -1.93 0.73 112.91 118.02 1b93 h THR 48 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1b93 h THR 48 Cb 0.64 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1b93 h THR 48 CO 0.00 0.16 0.55 1.23 0.37 0.00 0.00 175.52 177.83 1b93 h GLY 49 N 0.86 1.21 0.90 2.16 0.00 -1.73 0.06 103.07 106.53 1b93 h GLY 49 Ca 0.49 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1b93 h GLY 49 CO -0.26 0.46 -0.09 3.45 0.00 0.00 0.00 176.54 180.09 1b93 h ASN 50 N 1.16 0.60 -0.36 0.19 -1.07 -1.22 -1.18 115.58 113.71 1b93 h ASN 50 Ca 0.31 -0.38 0.03 0.00 0.07 0.00 0.00 56.30 56.33 1b93 h ASN 50 Cb -0.11 -0.17 -0.03 0.00 -2.07 0.00 0.00 38.32 35.95 1b93 h ASN 50 CO -0.06 0.84 0.16 -0.07 0.07 0.00 0.00 177.43 178.37 1b93 h LEU 51 N 0.36 0.23 -0.20 6.14 3.38 -0.53 0.07 115.31 124.75 1b93 h LEU 51 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1b93 h LEU 51 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1b93 h LEU 51 CO 0.03 0.17 0.07 0.40 0.09 0.00 0.00 178.44 179.21 1b93 h ILE 52 N 0.34 1.18 -0.23 1.22 2.04 -0.95 -1.04 117.51 120.07 1b93 h ILE 52 Ca 0.16 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1b93 h ILE 52 Cb 0.09 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1b93 h ILE 52 CO -0.12 0.17 -0.10 0.28 0.00 0.00 0.00 178.15 178.38 1b93 h SER 53 N 0.17 -0.33 0.25 1.72 0.02 -0.82 0.19 113.55 114.75 1b93 h SER 53 Ca 0.07 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1b93 h SER 53 Cb 0.20 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1b93 h SER 53 CO -0.00 -0.13 -0.39 0.03 -1.14 0.00 0.00 176.83 175.20 1b93 h ARG 54 N -0.06 0.20 0.09 3.45 -0.00 -0.92 0.64 114.38 117.77 1b93 h ARG 54 Ca 0.12 -0.09 -0.28 0.00 -0.50 0.00 0.00 59.98 59.23 1b93 h ARG 54 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1b93 h ARG 54 CO -0.27 0.56 -1.39 0.00 0.00 0.00 0.00 179.97 178.87 1b93 h ALA 55 N 1.43 0.29 0.00 0.04 0.00 -0.73 -3.38 119.26 116.91 1b93 h ALA 55 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1b93 h ALA 55 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1b93 h ALA 55 CO 0.06 1.16 -0.78 0.25 0.00 0.00 0.00 179.25 179.94 1b93 n THR 56 N -3.41 0.00 -0.95 0.00 -2.24 0.63 -4.98 114.28 103.31 1b93 n THR 56 Ca -0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1b93 n THR 56 Cb 1.02 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1b93 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b93 n GLY 57 N 1.53 0.52 3.83 3.38 0.00 0.22 -5.00 105.19 109.68 1b93 n GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1b93 n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b93 s MET 58 N -0.40 4.17 0.00 1.61 1.00 -1.24 -5.01 119.30 119.44 1b93 s MET 58 Ca 0.00 0.99 -0.26 0.00 0.00 0.00 0.00 55.69 56.42 1b93 s MET 58 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 34.83 32.52 1b93 s MET 58 CO 0.00 0.03 0.80 1.21 0.00 0.00 0.00 175.02 177.07 1b93 s ASN 59 N -2.19 7.19 -0.08 3.03 2.47 -1.26 -4.09 114.94 120.00 1b93 s ASN 59 Ca 0.59 1.43 0.01 0.00 0.42 0.00 0.00 52.86 55.31 1b93 s ASN 59 Cb -0.10 -2.48 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1b93 s ASN 59 CO 0.15 -0.09 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.67 1b93 s VAL 60 N 0.45 0.90 -0.22 -5.21 1.01 -1.26 -4.40 120.40 111.66 1b93 s VAL 60 Ca 0.42 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 1b93 s VAL 60 Cb -0.20 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1b93 s VAL 60 CO 0.23 0.33 1.29 0.20 0.00 0.00 0.00 175.10 177.15 1b93 s ASN 61 N 1.27 6.81 0.21 3.32 0.01 0.60 -4.89 114.94 122.27 1b93 s ASN 61 Ca -0.04 1.49 -0.15 0.00 -0.71 0.00 0.00 52.86 53.46 1b93 s ASN 61 Cb -0.14 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.91 1b93 s ASN 61 CO -0.03 -0.91 0.62 0.00 -1.51 0.00 0.00 177.10 175.28 1b93 s ALA 62 N 3.92 3.49 0.39 0.60 0.00 -1.26 -1.10 121.76 127.80 1b93 s ALA 62 Ca 0.56 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1b93 s ALA 62 Cb -0.20 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1b93 s ALA 62 CO 0.19 0.41 0.07 -1.64 0.00 0.00 0.00 175.76 174.79 1b93 s MET 63 N -2.34 1.85 0.81 0.00 -1.94 0.43 -4.90 119.30 113.21 1b93 s MET 63 Ca 0.44 -2.09 -0.11 0.00 -1.71 0.00 0.00 55.69 52.21 1b93 s MET 63 Cb -0.14 -0.92 0.08 0.00 2.01 0.00 0.00 34.83 35.87 1b93 s MET 63 CO 0.20 -0.31 1.12 -0.51 -0.01 0.00 0.00 175.02 175.51 1b93 s LEU 64 N -3.60 3.03 0.86 -0.03 1.43 -1.26 -1.93 118.68 117.17 1b93 s LEU 64 Ca 0.27 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 1b93 s LEU 64 Cb 0.06 -4.55 0.11 0.00 0.03 0.00 0.00 46.19 41.84 1b93 s LEU 64 CO 0.14 -2.37 1.10 -0.94 0.23 0.00 0.00 176.35 174.51 1b93 s SER 65 N -2.96 3.68 0.12 2.29 1.04 -1.26 -2.73 113.70 113.88 1b93 s SER 65 Ca 0.65 1.86 -0.29 0.00 0.48 0.00 0.00 55.95 58.64 1b93 s SER 65 Cb -0.20 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 1b93 s SER 65 CO 0.54 -2.57 1.60 1.23 0.98 0.00 0.00 173.24 175.03 1b93 h GLY 66 N -1.50 -0.67 1.47 7.32 0.00 -1.92 -0.29 103.07 107.49 1b93 h GLY 66 Ca -0.45 0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1b93 h GLY 66 CO 0.49 -0.25 0.22 -2.55 0.00 0.00 0.00 176.54 174.45 1b93 h PRO 67 N -0.55 0.00 -0.02 4.80 0.11 -1.95 -1.93 132.00 132.46 1b93 h PRO 67 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1b93 h PRO 67 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1b93 h PRO 67 CO -0.26 0.00 -0.12 -1.33 -0.21 0.00 0.00 178.00 176.08 1b93 n MET 68 N -3.67 1.55 0.00 1.05 2.81 -0.83 -4.92 117.12 113.10 1b93 n MET 68 Ca 0.01 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.85 1b93 n MET 68 Cb 0.33 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1b93 n MET 68 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b93 n GLY 69 N 1.28 0.87 0.36 3.03 0.00 -0.73 -4.90 105.19 105.11 1b93 n GLY 69 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1b93 n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b93 h GLY 70 N 0.00 0.86 1.61 -0.02 0.00 -1.11 -1.53 103.07 102.88 1b93 h GLY 70 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1b93 h GLY 70 CO 0.00 0.13 -0.23 -0.55 0.00 0.00 0.00 176.54 175.89 1b93 h ASP 71 N 0.58 0.46 1.10 0.19 3.32 -1.79 -2.00 116.42 118.28 1b93 h ASP 71 Ca 0.34 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1b93 h ASP 71 Cb 0.56 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1b93 h ASP 71 CO -0.12 0.69 -0.62 1.56 -1.72 0.00 0.00 179.24 179.03 1b93 h GLN 72 N 0.41 0.00 -0.30 3.56 4.20 -1.63 0.05 115.11 121.40 1b93 h GLN 72 Ca 0.06 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1b93 h GLN 72 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1b93 h GLN 72 CO 0.04 0.62 -0.05 1.96 -0.67 0.00 0.00 178.83 180.74 1b93 h GLN 73 N 0.00 0.55 -0.54 1.46 4.20 -1.00 0.35 115.11 120.14 1b93 h GLN 73 Ca -0.01 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1b93 h GLN 73 Cb 1.34 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1b93 h GLN 73 CO 0.08 0.73 -0.12 0.28 -0.67 0.00 0.00 178.83 179.14 1b93 h VAL 74 N 0.33 1.27 -0.77 -0.54 2.07 -1.29 -1.86 116.25 115.46 1b93 h VAL 74 Ca 0.08 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1b93 h VAL 74 Cb 0.51 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1b93 h VAL 74 CO 0.02 0.45 0.42 1.23 0.02 0.00 0.00 177.57 179.71 1b93 h GLY 75 N 0.93 1.14 0.95 2.17 0.00 -0.78 -0.80 103.07 106.70 1b93 h GLY 75 Ca 0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1b93 h GLY 75 CO 0.05 0.50 0.17 0.00 0.00 0.00 0.00 176.54 177.26 1b93 h ALA 76 N 1.22 0.41 -0.66 3.60 0.00 -0.70 -1.49 119.26 121.64 1b93 h ALA 76 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1b93 h ALA 76 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1b93 h ALA 76 CO -0.04 -0.05 0.38 -0.07 0.00 0.00 0.00 179.25 179.47 1b93 h LEU 77 N 0.39 0.80 -0.21 0.00 3.38 -0.95 -2.03 115.31 116.69 1b93 h LEU 77 Ca 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1b93 h LEU 77 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1b93 h LEU 77 CO -0.02 0.64 0.04 0.40 0.09 0.00 0.00 178.44 179.59 1b93 h ILE 78 N 0.92 1.22 0.00 1.22 2.04 -0.76 0.17 117.51 122.32 1b93 h ILE 78 Ca 0.24 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1b93 h ILE 78 Cb -0.00 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1b93 h ILE 78 CO -0.04 0.23 -0.03 0.77 0.00 0.00 0.00 178.15 179.08 1b93 h SER 79 N 0.15 0.00 -0.27 1.72 4.64 -0.88 -1.21 113.55 117.70 1b93 h SER 79 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1b93 h SER 79 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1b93 h SER 79 CO 0.00 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 1b93 n GLU 80 N -3.25 2.20 -1.55 4.77 1.02 -0.80 -4.94 120.64 118.09 1b93 n GLU 80 Ca -0.02 -1.80 -0.07 0.00 -0.02 0.00 0.00 57.16 55.25 1b93 n GLU 80 Cb 0.18 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1b93 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b93 n GLY 81 N 1.35 0.62 0.33 0.62 0.00 -0.46 -4.93 105.19 102.72 1b93 n GLY 81 Ca 0.18 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1b93 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b93 n LYS 82 N -2.39 0.83 -4.93 1.61 5.02 0.56 -4.86 118.16 114.01 1b93 n LYS 82 Ca -0.08 -0.66 -0.28 0.00 -2.02 0.00 0.00 58.31 55.27 1b93 n LYS 82 Cb 0.36 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.72 1b93 n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b93 s ILE 83 N -2.64 1.61 -0.04 -0.18 -1.09 -1.20 -4.77 121.20 112.90 1b93 s ILE 83 Ca 0.15 -0.78 0.14 0.00 -2.23 0.00 0.00 60.65 57.93 1b93 s ILE 83 Cb 0.17 -1.41 -0.22 0.00 -1.58 0.00 0.00 42.46 39.43 1b93 s ILE 83 CO 0.67 0.46 0.28 0.47 -1.23 0.00 0.00 174.94 175.59 1b93 n ASP 84 N 3.50 1.71 -3.81 3.58 8.00 0.04 -4.73 116.55 124.84 1b93 n ASP 84 Ca -0.20 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 1b93 n ASP 84 Cb 0.52 1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 43.03 1b93 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b93 s VAL 85 N -2.90 -0.01 -0.15 2.53 1.01 -1.09 -3.77 120.40 116.01 1b93 s VAL 85 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1b93 s VAL 85 Cb 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.29 1b93 s VAL 85 CO 0.59 0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 175.31 1b93 s LEU 86 N 0.35 1.94 -0.41 3.92 2.96 -0.57 -1.32 118.68 125.56 1b93 s LEU 86 Ca -0.02 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1b93 s LEU 86 Cb -0.04 -1.33 0.10 0.00 0.50 0.00 0.00 46.19 45.42 1b93 s LEU 86 CO -0.01 0.01 0.22 -0.63 -1.32 0.00 0.00 176.35 174.61 1b93 s ILE 87 N 1.19 3.65 -0.44 6.68 -1.09 0.03 -1.33 121.20 129.88 1b93 s ILE 87 Ca 0.00 -1.77 0.04 0.00 -2.23 0.00 0.00 60.65 56.69 1b93 s ILE 87 Cb -0.14 -3.37 0.12 0.00 -1.58 0.00 0.00 42.46 37.49 1b93 s ILE 87 CO -0.08 -0.60 0.17 0.12 -1.23 0.00 0.00 174.94 173.32 1b93 s PHE 88 N 1.26 3.45 -1.20 3.97 5.36 0.08 -0.67 117.98 130.23 1b93 s PHE 88 Ca 0.05 -3.09 -0.15 0.00 -0.96 0.00 0.00 56.93 52.78 1b93 s PHE 88 Cb -0.23 -2.88 0.16 0.00 -0.34 0.00 0.00 43.02 39.73 1b93 s PHE 88 CO -0.02 -0.84 1.45 -0.06 -1.46 0.00 0.00 175.22 174.30 1b93 s PHE 89 N 0.24 3.39 0.57 10.12 0.08 0.46 -4.15 117.98 128.70 1b93 s PHE 89 Ca 0.14 -2.03 -0.09 0.00 0.12 0.00 0.00 56.93 55.07 1b93 s PHE 89 Cb -0.23 -4.37 -0.04 0.00 -0.57 0.00 0.00 43.02 37.81 1b93 s PHE 89 CO -0.04 -1.45 0.94 1.67 -0.10 0.00 0.00 175.22 176.24 1b93 s TRP 90 N 1.98 3.60 -0.46 0.36 1.48 -1.26 -2.04 118.94 122.60 1b93 s TRP 90 Ca 0.43 1.13 -0.21 0.00 -1.06 0.00 0.00 56.10 56.40 1b93 s TRP 90 Cb -0.02 -2.58 0.03 0.00 -1.16 0.00 0.00 33.47 29.74 1b93 s TRP 90 CO 0.00 -0.54 0.68 0.34 -4.06 0.00 0.00 176.95 173.37 1b93 s ASP 91 N -4.12 6.32 0.00 -2.66 -1.08 -1.26 -4.88 116.67 108.98 1b93 s ASP 91 Ca 0.52 -0.39 0.31 0.00 -0.52 0.00 0.00 52.55 52.47 1b93 s ASP 91 Cb -0.11 -2.33 1.69 0.00 -1.46 0.00 0.00 42.92 40.71 1b93 s ASP 91 CO 0.50 -0.84 2.12 -0.81 0.52 0.00 0.00 175.17 176.65 1b93 n PRO 92 N 6.39 0.93 -0.12 4.34 -0.04 -1.26 -3.60 135.00 141.65 1b93 n PRO 92 Ca -0.02 -0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1b93 n PRO 92 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1b93 n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b93 n LEU 93 N -0.93 2.54 -3.79 1.53 4.77 -1.26 -4.99 117.00 114.86 1b93 n LEU 93 Ca 0.21 -2.51 -0.13 0.00 -0.03 0.00 0.00 56.01 53.55 1b93 n LEU 93 Cb 0.17 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1b93 n LEU 93 CO 0.19 0.63 -0.19 0.20 -1.33 0.00 0.00 177.39 176.90 1b93 s ASN 94 N -1.77 -0.17 -0.10 -1.43 0.01 -1.24 -5.13 114.94 105.12 1b93 s ASN 94 Ca 0.20 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 52.40 1b93 s ASN 94 Cb 0.16 0.31 -0.01 0.00 0.41 0.00 0.00 41.25 42.12 1b93 s ASN 94 CO 0.05 -0.08 0.99 0.00 -1.51 0.00 0.00 177.10 176.54 1b93 s ALA 95 N 0.41 3.40 0.02 0.60 0.00 -1.26 -4.88 121.76 120.05 1b93 s ALA 95 Ca -0.03 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1b93 s ALA 95 Cb -0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1b93 s ALA 95 CO -0.02 -0.58 -0.08 0.14 0.00 0.00 0.00 175.76 175.22 1b93 s VAL 96 N 1.96 3.57 0.33 0.00 -7.23 -1.26 -5.03 120.40 112.74 1b93 s VAL 96 Ca 0.47 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1b93 s VAL 96 Cb -0.18 -2.57 0.18 0.00 0.56 0.00 0.00 36.38 34.37 1b93 s VAL 96 CO 0.18 0.35 1.90 1.55 -0.31 0.00 0.00 175.10 178.77 1b93 h PRO 97 N 4.39 0.64 -1.16 4.82 0.13 -2.03 -2.83 132.00 135.96 1b93 h PRO 97 Ca -0.48 -0.11 -0.38 0.00 -0.87 0.00 0.00 66.00 64.16 1b93 h PRO 97 Cb 1.17 -0.11 -0.19 0.00 0.13 0.00 0.00 31.00 32.00 1b93 h PRO 97 CO 0.53 0.58 0.49 -2.39 -0.23 0.00 0.00 178.00 176.98 1b93 n HIS 98 N -4.32 2.02 -0.31 1.56 1.44 -1.26 -4.55 115.22 109.80 1b93 n HIS 98 Ca 0.03 -1.78 0.08 0.00 -2.01 0.00 0.00 57.72 54.04 1b93 n HIS 98 Cb 0.20 -0.88 0.30 0.00 0.12 0.00 0.00 29.99 29.72 1b93 n HIS 98 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1b93 h ASP 99 N 1.09 0.81 -0.80 4.39 3.58 -1.93 -1.09 116.42 122.47 1b93 h ASP 99 Ca 0.40 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.92 1b93 h ASP 99 Cb 1.61 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.49 1b93 h ASP 99 CO 0.85 0.45 0.51 -0.65 -2.88 0.00 0.00 179.24 177.52 1b93 h PRO 100 N 0.88 0.96 -0.84 0.28 0.11 -1.89 -0.77 132.00 130.74 1b93 h PRO 100 Ca 0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 1b93 h PRO 100 Cb 0.50 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 1b93 h PRO 100 CO -0.21 0.64 0.50 -0.44 -0.21 0.00 0.00 178.00 178.28 1b93 h ASP 101 N 0.99 1.01 -0.05 -2.05 5.19 -1.59 0.42 116.42 120.35 1b93 h ASP 101 Ca 0.32 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1b93 h ASP 101 Cb 0.01 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.26 1b93 h ASP 101 CO -0.11 0.78 0.03 0.58 -3.12 0.00 0.00 179.24 177.40 1b93 h VAL 102 N 1.15 1.07 -0.41 -1.35 2.07 -0.71 -0.59 116.25 117.50 1b93 h VAL 102 Ca 0.30 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1b93 h VAL 102 Cb -0.04 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1b93 h VAL 102 CO -0.06 0.06 -0.09 0.11 0.02 0.00 0.00 177.57 177.61 1b93 h LYS 103 N -0.00 0.70 -0.55 1.57 6.56 -0.93 -2.24 116.57 121.68 1b93 h LYS 103 Ca 0.02 -0.22 -0.10 0.00 -1.06 0.00 0.00 60.65 59.30 1b93 h LYS 103 Cb 0.07 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1b93 h LYS 103 CO -0.00 0.78 -0.03 0.00 -2.06 0.00 0.00 179.45 178.14 1b93 h ALA 104 N 1.26 0.75 -0.45 3.86 0.00 -0.69 -0.29 119.26 123.69 1b93 h ALA 104 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1b93 h ALA 104 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1b93 h ALA 104 CO 0.03 0.60 0.11 1.25 0.00 0.00 0.00 179.25 181.24 1b93 h LEU 105 N 0.87 0.67 -1.03 0.00 5.85 -0.93 -1.24 115.31 119.51 1b93 h LEU 105 Ca 0.15 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1b93 h LEU 105 Cb 0.58 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1b93 h LEU 105 CO 0.03 0.72 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.56 1b93 h LEU 106 N 0.59 0.43 -0.37 2.25 3.38 -1.27 -1.43 115.31 118.89 1b93 h LEU 106 Ca 0.14 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1b93 h LEU 106 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1b93 h LEU 106 CO 0.00 0.66 0.10 -0.09 0.09 0.00 0.00 178.44 179.20 1b93 h ARG 107 N 0.39 0.58 -0.66 1.13 2.43 -0.70 -2.28 114.38 115.27 1b93 h ARG 107 Ca 0.06 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1b93 h ARG 107 Cb 0.61 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1b93 h ARG 107 CO 0.04 0.62 0.11 1.25 -1.51 0.00 0.00 179.97 180.48 1b93 h LEU 108 N 0.44 1.05 -1.43 3.80 5.85 -0.95 -1.07 115.31 123.00 1b93 h LEU 108 Ca 0.12 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1b93 h LEU 108 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1b93 h LEU 108 CO -0.00 1.04 -0.21 0.00 -0.34 0.00 0.00 178.44 178.93 1b93 h ALA 109 N 1.05 1.53 -0.05 1.25 0.00 -1.17 -1.00 119.26 120.85 1b93 h ALA 109 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1b93 h ALA 109 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1b93 h ALA 109 CO 0.01 0.34 -0.18 1.15 0.00 0.00 0.00 179.25 180.58 1b93 h THR 110 N 0.10 1.45 -0.62 0.00 2.02 -0.99 -2.96 112.91 111.90 1b93 h THR 110 Ca 0.02 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.64 1b93 h THR 110 Cb 0.44 2.34 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1b93 h THR 110 CO 0.03 0.44 0.39 0.58 0.37 0.00 0.00 175.52 177.33 1b93 h VAL 111 N -0.31 1.09 -0.15 3.16 2.07 -0.91 -2.69 116.25 118.50 1b93 h VAL 111 Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1b93 h VAL 111 Cb 0.81 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1b93 h VAL 111 CO 0.04 0.14 0.00 0.79 0.02 0.00 0.00 177.57 178.56 1b93 n TRP 112 N -4.71 0.20 -3.86 1.57 7.02 -0.41 -4.55 117.44 112.70 1b93 n TRP 112 Ca 0.06 -0.10 -0.25 0.00 -1.02 0.00 0.00 57.50 56.18 1b93 n TRP 112 Cb 0.07 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 28.97 1b93 n TRP 112 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1b93 n ASN 113 N -0.01 -1.73 -4.79 -0.99 5.15 -1.02 -4.84 115.26 107.04 1b93 n ASN 113 Ca 0.12 -0.89 -0.28 0.00 -0.60 0.00 0.00 54.58 52.94 1b93 n ASN 113 Cb 0.21 -3.61 -0.06 0.00 -0.53 0.00 0.00 39.78 35.79 1b93 n ASN 113 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1b93 s ILE 114 N -3.67 4.49 0.16 -1.44 -4.36 -1.14 -4.86 121.20 110.38 1b93 s ILE 114 Ca 0.18 -0.97 -0.31 0.00 -0.26 0.00 0.00 60.65 59.29 1b93 s ILE 114 Cb -0.09 -3.25 -0.11 0.00 1.25 0.00 0.00 42.46 40.26 1b93 s ILE 114 CO 0.85 -0.02 1.79 -2.84 0.24 0.00 0.00 174.94 174.96 1b93 s PRO 115 N -2.84 4.13 -0.04 0.37 0.02 -1.25 -4.85 135.00 130.54 1b93 s PRO 115 Ca 0.30 2.61 0.02 0.00 0.02 0.00 0.00 61.00 63.96 1b93 s PRO 115 Cb -0.11 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 31.03 1b93 s PRO 115 CO 0.23 -0.81 -0.09 0.08 -0.33 0.00 0.00 177.00 176.08 1b93 s VAL 116 N 2.12 0.84 -0.08 3.83 1.01 -1.26 -1.51 120.40 125.35 1b93 s VAL 116 Ca 0.79 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1b93 s VAL 116 Cb -0.48 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1b93 s VAL 116 CO 0.35 0.27 -0.17 0.00 0.00 0.00 0.00 175.10 175.55 1b93 s ALA 117 N 0.43 1.63 -1.10 5.51 0.00 -0.44 -4.96 121.76 122.83 1b93 s ALA 117 Ca -0.07 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1b93 s ALA 117 Cb -0.12 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1b93 s ALA 117 CO 0.01 0.19 0.83 0.25 0.00 0.00 0.00 175.76 177.05 1b93 n THR 118 N 3.66 0.10 -3.97 0.00 -2.24 -1.26 -0.74 114.28 109.83 1b93 n THR 118 Ca -0.21 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 60.92 1b93 n THR 118 Cb 0.52 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 1b93 n THR 118 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b93 s ASN 119 N -0.79 0.02 0.19 3.42 2.20 -1.26 -4.37 114.94 114.35 1b93 s ASN 119 Ca 0.12 -0.89 -0.13 0.00 -0.94 0.00 0.00 52.86 51.01 1b93 s ASN 119 Cb 0.08 0.46 0.10 0.00 -2.00 0.00 0.00 41.25 39.88 1b93 s ASN 119 CO 0.12 -0.93 1.85 0.58 -2.94 0.00 0.00 177.10 175.78 1b93 h VAL 120 N 2.50 1.15 -0.64 3.54 2.07 -1.97 -1.99 116.25 120.91 1b93 h VAL 120 Ca -0.31 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1b93 h VAL 120 Cb 1.23 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1b93 h VAL 120 CO 0.47 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.54 1b93 h ALA 121 N 1.23 0.86 -0.40 1.67 0.00 -1.99 0.11 119.26 120.74 1b93 h ALA 121 Ca 0.22 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1b93 h ALA 121 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1b93 h ALA 121 CO -0.05 -0.02 -0.29 1.15 0.00 0.00 0.00 179.25 180.04 1b93 h THR 122 N 0.61 1.28 -0.54 0.00 2.02 -1.94 -2.22 112.91 112.11 1b93 h THR 122 Ca 0.30 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1b93 h THR 122 Cb 0.23 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1b93 h THR 122 CO -0.21 0.49 0.32 0.00 0.37 0.00 0.00 175.52 176.49 1b93 h ALA 123 N 0.80 0.69 -0.53 6.16 0.00 -0.73 -1.35 119.26 124.30 1b93 h ALA 123 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1b93 h ALA 123 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b93 h ALA 123 CO 0.08 0.19 0.20 -0.44 0.00 0.00 0.00 179.25 179.28 1b93 h ASP 124 N 0.73 0.74 -0.81 0.00 3.32 -0.72 -0.98 116.42 118.71 1b93 h ASP 124 Ca 0.19 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1b93 h ASP 124 Cb 0.00 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1b93 h ASP 124 CO -0.04 0.72 0.46 -0.26 -1.72 0.00 0.00 179.24 178.40 1b93 h PHE 125 N 0.72 1.09 -0.03 4.55 -1.00 -1.12 -1.65 116.94 119.49 1b93 h PHE 125 Ca 0.18 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1b93 h PHE 125 Cb 0.22 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 1b93 h PHE 125 CO 0.01 0.75 -0.02 0.82 -1.61 0.00 0.00 178.31 178.26 1b93 h ILE 126 N 1.11 1.32 0.00 -0.55 2.04 -1.02 -2.77 117.51 117.65 1b93 h ILE 126 Ca 0.29 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1b93 h ILE 126 Cb 0.00 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1b93 h ILE 126 CO -0.05 0.27 -0.15 -0.29 0.00 0.00 0.00 178.15 177.93 1b93 h ILE 127 N -0.32 0.50 -0.01 -0.67 2.10 -1.10 -2.09 117.51 115.92 1b93 h ILE 127 Ca 0.01 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.22 1b93 h ILE 127 Cb 0.44 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1b93 h ILE 127 CO 0.00 0.14 -0.34 0.00 -1.08 0.00 0.00 178.15 176.88 1b93 n GLN 128 N -3.48 0.57 -1.97 2.19 6.02 -0.63 -4.87 117.38 115.21 1b93 n GLN 128 Ca -0.01 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.00 56.24 1b93 n GLN 128 Cb 0.31 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 1b93 n GLN 128 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1b93 s SER 129 N -2.66 6.35 0.21 1.08 0.15 -0.79 -4.93 113.70 113.12 1b93 s SER 129 Ca 0.20 2.80 -0.10 0.00 0.70 0.00 0.00 55.95 59.56 1b93 s SER 129 Cb 0.19 -2.65 0.30 0.00 -1.71 0.00 0.00 66.02 62.15 1b93 s SER 129 CO 0.58 -0.84 1.70 -0.65 1.20 0.00 0.00 173.24 175.24 1b93 h PRO 130 N 2.86 0.26 -0.51 5.44 0.11 -1.90 -2.52 132.00 135.72 1b93 h PRO 130 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1b93 h PRO 130 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b93 h PRO 130 CO 0.63 0.17 0.00 0.72 -0.21 0.00 0.00 178.00 179.31 1b93 n HIS 131 N -5.13 0.28 0.21 0.65 8.25 -1.26 -4.04 115.22 114.18 1b93 n HIS 131 Ca 0.09 -0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1b93 n HIS 131 Cb 0.33 -0.08 0.45 0.00 1.12 0.00 0.00 29.99 31.80 1b93 n HIS 131 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1b93 h PHE 132 N 0.76 0.00 -0.49 4.41 3.57 -1.74 -2.41 116.94 121.04 1b93 h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1b93 h PHE 132 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1b93 h PHE 132 CO 0.14 0.27 0.00 0.09 -2.23 0.00 0.00 178.31 176.58 1b93 n ASN 133 N -4.18 3.50 -4.82 0.41 5.03 -1.26 -4.78 115.26 109.16 1b93 n ASN 133 Ca -0.02 -1.97 -0.22 0.00 0.87 0.00 0.00 54.58 53.24 1b93 n ASN 133 Cb 0.32 -0.32 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1b93 n ASN 133 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1b93 s ASP 134 N -1.21 5.33 -0.01 6.41 1.01 -0.91 -4.62 116.67 122.67 1b93 s ASP 134 Ca 0.39 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.96 1b93 s ASP 134 Cb 0.22 -1.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1b93 s ASP 134 CO 0.29 -0.15 1.09 0.00 0.21 0.00 0.00 175.17 176.61 1b93 s ALA 135 N -2.22 3.33 -0.03 5.23 0.00 -1.26 -3.96 121.76 122.85 1b93 s ALA 135 Ca 0.36 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.99 1b93 s ALA 135 Cb -0.07 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1b93 s ALA 135 CO 0.25 -0.45 -0.20 0.08 0.00 0.00 0.00 175.76 175.44 1b93 s VAL 136 N 1.41 1.64 -0.10 0.00 1.01 -0.22 -4.91 120.40 119.22 1b93 s VAL 136 Ca 0.54 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1b93 s VAL 136 Cb -0.24 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1b93 s VAL 136 CO 0.26 0.46 0.39 -1.81 0.00 0.00 0.00 175.10 174.40 1b93 s ASP 137 N -0.33 6.64 0.08 3.32 1.11 -1.26 0.17 116.67 126.39 1b93 s ASP 137 Ca 0.04 0.75 0.06 0.00 0.18 0.00 0.00 52.55 53.58 1b93 s ASP 137 Cb -0.09 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 1b93 s ASP 137 CO 0.00 0.13 -0.15 0.27 1.18 0.00 0.00 175.17 176.61 1b93 s ILE 138 N 0.05 1.21 0.12 0.77 -4.36 0.18 -4.96 121.20 114.21 1b93 s ILE 138 Ca 0.22 -1.33 -0.26 0.00 -0.26 0.00 0.00 60.65 59.02 1b93 s ILE 138 Cb -0.15 -1.15 -0.07 0.00 1.25 0.00 0.00 42.46 42.34 1b93 s ILE 138 CO 0.09 -0.19 0.81 -0.76 0.24 0.00 0.00 174.94 175.13 1b93 s LEU 139 N -1.74 4.53 0.07 0.37 1.43 -1.26 -2.01 118.68 120.07 1b93 s LEU 139 Ca -0.00 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1b93 s LEU 139 Cb -0.10 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1b93 s LEU 139 CO 0.03 0.09 -0.05 0.27 0.23 0.00 0.00 176.35 176.92 1b93 s ILE 140 N -0.57 0.46 0.33 -0.59 -4.36 -0.10 -4.66 121.20 111.71 1b93 s ILE 140 Ca 0.39 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1b93 s ILE 140 Cb -0.22 -1.56 -0.10 0.00 1.25 0.00 0.00 42.46 41.82 1b93 s ILE 140 CO 0.26 -0.92 1.31 -2.84 0.24 0.00 0.00 174.94 172.99 1b93 s PRO 141 N -3.79 4.34 -0.78 0.37 0.02 -1.26 0.22 135.00 134.12 1b93 s PRO 141 Ca 0.09 2.22 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 1b93 s PRO 141 Cb 0.06 -3.06 0.07 0.00 0.02 0.00 0.00 34.50 31.59 1b93 s PRO 141 CO -0.07 -0.20 1.14 0.34 -0.33 0.00 0.00 177.00 177.88 1b93 s ASP 142 N -0.49 6.30 0.38 2.53 -1.08 0.27 -4.66 116.67 119.93 1b93 s ASP 142 Ca 0.49 -1.14 0.14 0.00 -0.52 0.00 0.00 52.55 51.52 1b93 s ASP 142 Cb -0.40 -2.47 0.98 0.00 -1.46 0.00 0.00 42.92 39.57 1b93 s ASP 142 CO 0.53 -1.47 1.84 0.22 0.52 0.00 0.00 175.17 176.80 1b93 h TYR 143 N 9.57 0.69 0.00 -5.34 3.20 -1.91 -3.45 116.97 119.73 1b93 h TYR 143 Ca -0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1b93 h TYR 143 Cb 1.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1b93 h TYR 143 CO 1.09 0.18 0.00 1.04 -1.64 0.00 0.00 178.16 178.83