#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 4.29 0.27 3.17 8.01 -1.26 -4.93 118.70 128.25 1b93 s GLU 2 Ca 0.00 2.18 0.10 0.00 0.01 0.00 0.00 54.97 57.26 1b93 s GLU 2 Cb 0.00 -3.01 -0.05 0.00 -4.31 0.00 0.00 34.13 26.76 1b93 s GLU 2 CO 0.00 -0.23 -0.15 -0.51 0.01 0.00 0.00 175.26 174.38 1b93 s LEU 3 N -1.92 2.59 0.00 1.80 1.43 -1.26 -0.28 118.68 121.05 1b93 s LEU 3 Ca 0.50 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1b93 s LEU 3 Cb -0.39 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1b93 s LEU 3 CO 0.51 -0.10 0.19 1.07 0.23 0.00 0.00 176.35 178.26 1b93 n THR 4 N -0.58 0.00 -4.49 5.49 5.66 0.78 -4.62 114.28 116.51 1b93 n THR 4 Ca -0.06 -0.44 -0.24 0.00 -3.05 0.00 0.00 64.05 60.27 1b93 n THR 4 Cb 0.61 0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 1b93 n THR 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1b93 s THR 5 N -2.63 1.88 -0.01 1.09 -4.23 -1.26 -0.02 115.64 110.45 1b93 s THR 5 Ca 0.07 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.29 1b93 s THR 5 Cb -0.01 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1b93 s THR 5 CO 0.05 -0.21 0.33 -0.60 -0.54 0.00 0.00 174.62 173.65 1b93 s ARG 6 N -3.69 0.69 -0.20 3.99 3.52 -0.75 -4.88 118.95 117.62 1b93 s ARG 6 Ca 0.32 -0.18 -0.09 0.00 -0.13 0.00 0.00 55.73 55.64 1b93 s ARG 6 Cb 0.04 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.69 1b93 s ARG 6 CO 0.15 -0.19 0.12 0.99 -0.81 0.00 0.00 175.30 175.55 1b93 s THR 7 N -1.36 5.24 -0.17 4.11 2.01 -1.26 -1.04 115.64 123.17 1b93 s THR 7 Ca -0.13 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1b93 s THR 7 Cb -0.05 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1b93 s THR 7 CO 0.04 0.43 0.77 -0.76 -0.69 0.00 0.00 174.62 174.41 1b93 s LEU 8 N 0.50 4.18 0.82 4.42 1.43 0.16 -4.92 118.68 125.27 1b93 s LEU 8 Ca 0.07 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 1b93 s LEU 8 Cb -0.12 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.06 1b93 s LEU 8 CO -0.00 -0.34 1.12 -2.16 0.23 0.00 0.00 176.35 175.20 1b93 s PRO 9 N 1.95 1.79 0.26 1.29 0.04 -1.26 -1.57 135.00 137.50 1b93 s PRO 9 Ca 0.36 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1b93 s PRO 9 Cb -0.16 -1.83 0.32 0.00 0.04 0.00 0.00 34.50 32.87 1b93 s PRO 9 CO 0.12 -2.02 1.94 0.00 0.04 0.00 0.00 177.00 177.08 1b93 h ALA 10 N -1.30 1.32 -1.88 8.56 0.00 -1.82 -3.31 119.26 120.83 1b93 h ALA 10 Ca -0.44 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 53.73 1b93 h ALA 10 Cb 1.25 -0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 1b93 h ALA 10 CO 0.47 0.62 0.21 0.50 0.00 0.00 0.00 179.25 181.05 1b93 s ARG 11 N -6.06 3.08 0.39 0.00 3.52 -1.26 -4.27 118.95 114.34 1b93 s ARG 11 Ca -0.13 -1.12 -0.23 0.00 -0.13 0.00 0.00 55.73 54.12 1b93 s ARG 11 Cb 0.18 -4.23 -0.10 0.00 -1.56 0.00 0.00 34.95 29.24 1b93 s ARG 11 CO 0.81 -1.55 0.95 0.15 -0.81 0.00 0.00 175.30 174.86 1b93 s LYS 12 N 3.00 4.36 -0.46 5.12 -0.14 -1.25 -4.80 119.74 125.56 1b93 s LYS 12 Ca 0.15 1.22 -0.17 0.00 -1.36 0.00 0.00 55.97 55.81 1b93 s LYS 12 Cb -0.22 -2.43 0.05 0.00 -1.68 0.00 0.00 37.83 33.55 1b93 s LYS 12 CO 0.08 0.08 0.48 -1.01 -0.76 0.00 0.00 175.35 174.22 1b93 s HIS 13 N -1.94 3.16 -0.22 3.18 3.76 -1.26 -0.78 115.29 121.20 1b93 s HIS 13 Ca 0.57 -0.62 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 1b93 s HIS 13 Cb -0.13 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 1b93 s HIS 13 CO 0.18 -0.83 0.06 0.42 -0.85 0.00 0.00 174.74 173.72 1b93 s ILE 14 N 2.10 4.45 -0.19 0.60 1.01 0.97 -0.71 121.20 129.44 1b93 s ILE 14 Ca 0.10 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1b93 s ILE 14 Cb -0.20 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1b93 s ILE 14 CO 0.11 0.39 0.38 0.00 0.00 0.00 0.00 174.94 175.82 1b93 s ALA 15 N 1.07 3.56 -0.27 9.38 0.00 -0.20 -0.70 121.76 134.61 1b93 s ALA 15 Ca 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 1b93 s ALA 15 Cb -0.14 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.41 1b93 s ALA 15 CO 0.03 -0.23 -0.01 -0.51 0.00 0.00 0.00 175.76 175.03 1b93 s LEU 16 N 1.16 3.44 -0.05 0.00 1.43 0.11 -0.81 118.68 123.97 1b93 s LEU 16 Ca 0.19 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1b93 s LEU 16 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1b93 s LEU 16 CO 0.07 -0.16 -0.13 -0.69 0.23 0.00 0.00 176.35 175.68 1b93 s VAL 17 N 1.37 1.16 -0.03 -1.59 1.01 0.19 -3.30 120.40 119.21 1b93 s VAL 17 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1b93 s VAL 17 Cb -0.17 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1b93 s VAL 17 CO -0.02 0.35 0.19 0.00 0.00 0.00 0.00 175.10 175.62 1b93 s ALA 18 N 0.38 -0.46 0.45 5.51 0.00 -1.26 -1.09 121.76 125.28 1b93 s ALA 18 Ca -0.09 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1b93 s ALA 18 Cb -0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1b93 s ALA 18 CO 0.03 -0.18 0.86 -1.01 0.00 0.00 0.00 175.76 175.46 1b93 s HIS 19 N -0.88 3.47 0.27 0.00 3.76 -1.07 -4.84 115.29 115.99 1b93 s HIS 19 Ca -0.10 1.22 -0.10 0.00 -0.15 0.00 0.00 55.06 55.93 1b93 s HIS 19 Cb -0.05 -2.59 0.41 0.00 1.11 0.00 0.00 32.58 31.46 1b93 s HIS 19 CO 0.02 -0.22 1.53 -0.25 -0.85 0.00 0.00 174.74 174.96 1b93 n ASP 20 N -1.44 -0.41 0.00 1.40 8.00 -1.26 0.53 116.55 123.37 1b93 n ASP 20 Ca 0.04 1.70 0.10 0.00 0.71 0.00 0.00 54.79 57.34 1b93 n ASP 20 Cb 0.54 -0.49 0.54 0.00 -0.02 0.00 0.00 41.12 41.69 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 -5.57 0.00 0.00 1.24 8.25 -1.26 -2.68 115.22 115.20 1b93 n HIS 21 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1b93 n HIS 21 Cb 0.47 -0.22 0.05 0.00 1.12 0.00 0.00 29.99 31.42 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 0.90 0.14 -0.45 0.00 1.63 -1.19 -0.94 116.57 116.67 1b93 h LYS 23 Ca 0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1b93 h LYS 23 Cb 0.49 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1b93 h LYS 23 CO 0.00 0.09 0.08 1.96 -3.45 0.00 0.00 179.45 178.13 1b93 h GLN 24 N 0.15 0.69 -0.38 1.90 1.08 -1.85 -1.16 115.11 115.53 1b93 h GLN 24 Ca 0.06 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1b93 h GLN 24 Cb 0.03 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1b93 h GLN 24 CO -0.06 0.65 0.23 1.98 -0.95 0.00 0.00 178.83 180.68 1b93 h MET 25 N 0.66 0.52 -0.28 1.46 4.05 -1.76 0.12 114.93 119.70 1b93 h MET 25 Ca 0.15 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1b93 h MET 25 Cb 0.29 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1b93 h MET 25 CO 0.00 0.40 -0.01 1.25 0.23 0.00 0.00 176.91 178.79 1b93 h LEU 26 N 0.50 0.50 -0.35 3.39 5.85 -0.75 -2.49 115.31 121.96 1b93 h LEU 26 Ca 0.14 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1b93 h LEU 26 Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1b93 h LEU 26 CO -0.02 0.69 0.22 0.24 -0.34 0.00 0.00 178.44 179.23 1b93 h MET 27 N 0.29 0.43 -0.75 1.25 2.86 -1.06 -0.88 114.93 117.06 1b93 h MET 27 Ca 0.08 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1b93 h MET 27 Cb 0.44 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1b93 h MET 27 CO 0.02 0.29 0.50 0.66 1.06 0.00 0.00 176.91 179.43 1b93 h SER 28 N 0.45 0.72 -0.35 1.22 4.64 -0.92 0.63 113.55 119.93 1b93 h SER 28 Ca 0.13 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1b93 h SER 28 Cb -0.03 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1b93 h SER 28 CO -0.04 0.47 -0.15 -0.25 -0.87 0.00 0.00 176.83 175.99 1b93 h TRP 29 N 0.82 0.83 -0.58 4.77 7.01 -0.86 -0.93 115.95 127.00 1b93 h TRP 29 Ca 0.32 -0.20 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1b93 h TRP 29 Cb 0.22 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1b93 h TRP 29 CO -0.00 0.91 0.21 0.28 -2.79 0.00 0.00 178.44 177.05 1b93 h VAL 30 N 0.51 1.23 0.00 2.65 2.07 -0.35 -2.59 116.25 119.76 1b93 h VAL 30 Ca 0.08 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1b93 h VAL 30 Cb 0.68 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1b93 h VAL 30 CO 0.05 0.29 -0.41 -0.33 0.02 0.00 0.00 177.57 177.19 1b93 h GLU 31 N 0.82 0.00 0.00 1.57 5.08 -0.79 -0.78 114.58 120.48 1b93 h GLU 31 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1b93 h GLU 31 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1b93 h GLU 31 CO -0.01 0.41 -0.21 0.00 -1.00 0.00 0.00 179.01 178.20 1b93 h ARG 32 N 0.00 0.00 0.00 2.33 3.08 -0.92 -3.29 114.38 115.58 1b93 h ARG 32 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1b93 h ARG 32 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1b93 h ARG 32 CO 0.05 0.21 -0.23 0.72 -1.07 0.00 0.00 179.97 179.64 1b93 n HIS 33 N -3.21 0.00 -0.18 3.04 8.25 -1.00 -4.87 115.22 117.25 1b93 n HIS 33 Ca 0.02 -1.14 -0.03 0.00 -0.26 0.00 0.00 57.72 56.31 1b93 n HIS 33 Cb 0.54 -0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.50 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 0.40 -0.08 -0.90 -0.41 4.15 -1.22 -1.08 115.11 115.97 1b93 h GLN 34 Ca -0.01 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.58 1b93 h GLN 34 Cb 1.04 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.65 1b93 h GLN 34 CO 0.00 -0.05 0.49 -1.35 -1.93 0.00 0.00 178.83 175.99 1b93 h PRO 35 N -0.08 0.65 0.01 -2.39 0.11 -1.89 0.13 132.00 128.54 1b93 h PRO 35 Ca 0.26 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 66.06 1b93 h PRO 35 Cb 0.48 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.47 1b93 h PRO 35 CO -0.62 0.43 -1.05 -0.07 -0.21 0.00 0.00 178.00 176.48 1b93 h LEU 36 N 0.67 0.88 -1.81 2.35 4.07 -1.78 -3.24 115.31 116.45 1b93 h LEU 36 Ca 0.50 -0.71 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1b93 h LEU 36 Cb 0.72 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1b93 h LEU 36 CO -0.37 1.52 -0.03 -0.07 -1.08 0.00 0.00 178.44 178.40 1b93 h LEU 37 N 0.38 0.00 -1.90 1.67 3.38 -0.44 -2.74 115.31 115.65 1b93 h LEU 37 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1b93 h LEU 37 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1b93 h LEU 37 CO 0.20 0.03 0.00 -0.08 0.09 0.00 0.00 178.44 178.69 1b93 h GLU 38 N 0.00 0.00 -0.03 1.13 4.81 -1.03 -2.17 114.58 117.30 1b93 h GLU 38 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b93 h GLU 38 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1b93 h GLU 38 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 1b93 n GLN 39 N -2.85 1.75 -4.56 1.92 6.02 -1.03 -4.93 117.38 113.70 1b93 n GLN 39 Ca -0.01 -1.08 -0.30 0.00 -0.01 0.00 0.00 57.00 55.60 1b93 n GLN 39 Cb 0.17 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.99 2.11 -0.25 1.08 3.76 -0.82 -4.68 115.29 114.50 1b93 s HIS 40 Ca 0.37 -0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 1b93 s HIS 40 Cb 0.21 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1b93 s HIS 40 CO 0.33 0.21 0.14 0.08 -0.85 0.00 0.00 174.74 174.65 1b93 s VAL 41 N -2.79 5.05 -0.04 -0.90 1.01 0.04 -4.99 120.40 117.79 1b93 s VAL 41 Ca 0.21 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1b93 s VAL 41 Cb 0.04 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1b93 s VAL 41 CO 0.11 0.32 0.11 -0.76 0.00 0.00 0.00 175.10 174.89 1b93 s LEU 42 N 1.39 4.11 0.05 3.92 1.43 -1.26 -0.02 118.68 128.30 1b93 s LEU 42 Ca 0.07 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1b93 s LEU 42 Cb -0.15 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1b93 s LEU 42 CO 0.07 0.31 -0.14 -0.31 0.23 0.00 0.00 176.35 176.51 1b93 s TYR 43 N -1.17 1.18 -0.10 0.29 1.51 0.13 -0.98 117.35 118.21 1b93 s TYR 43 Ca 0.22 -0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 1b93 s TYR 43 Cb -0.12 -0.68 0.05 0.00 -0.11 0.00 0.00 41.96 41.09 1b93 s TYR 43 CO 0.12 0.04 0.50 0.00 -1.11 0.00 0.00 175.55 175.10 1b93 s ALA 44 N -1.04 -1.28 0.18 3.71 0.00 -0.00 -0.71 121.76 122.61 1b93 s ALA 44 Ca -0.01 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1b93 s ALA 44 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1b93 s ALA 44 CO 0.02 -0.29 0.38 0.95 0.00 0.00 0.00 175.76 176.82 1b93 s THR 45 N -0.64 5.20 0.00 0.00 -4.23 -1.21 -0.42 115.64 114.34 1b93 s THR 45 Ca -0.07 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1b93 s THR 45 Cb -0.03 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1b93 s THR 45 CO 0.04 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1b93 n GLY 46 N -0.36 1.83 0.03 3.99 0.00 0.13 -3.24 105.19 107.57 1b93 n GLY 46 Ca -0.04 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 0.17 -0.29 2.61 -2.24 -1.26 -4.01 114.28 109.25 1b93 n THR 47 Ca 0.00 -0.07 0.14 0.00 -2.27 0.00 0.00 64.05 61.85 1b93 n THR 47 Cb 0.00 -0.53 0.40 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.75 -0.29 4.28 2.02 -1.90 -2.14 112.91 115.63 1b93 h THR 48 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.01 1b93 h THR 48 Cb 0.56 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1b93 h THR 48 CO 0.00 0.12 -0.04 1.23 0.37 0.00 0.00 175.52 177.20 1b93 h GLY 49 N 0.64 0.24 1.04 2.16 0.00 -1.78 -1.23 103.07 104.14 1b93 h GLY 49 Ca 0.50 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.80 1b93 h GLY 49 CO -0.25 -0.09 -0.05 3.43 0.00 0.00 0.00 176.54 179.58 1b93 h ASN 50 N 0.04 0.93 -0.78 0.19 2.35 -1.69 -1.99 115.58 114.63 1b93 h ASN 50 Ca 0.14 -0.33 0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1b93 h ASN 50 Cb 0.20 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1b93 h ASN 50 CO -0.27 1.04 0.48 -0.07 -1.65 0.00 0.00 177.43 176.96 1b93 h LEU 51 N 0.80 0.76 -0.16 1.61 3.38 -1.19 0.13 115.31 120.65 1b93 h LEU 51 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1b93 h LEU 51 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1b93 h LEU 51 CO 0.04 0.51 -0.01 0.40 0.09 0.00 0.00 178.44 179.47 1b93 h ILE 52 N 0.90 1.26 -0.47 1.22 2.04 -0.99 -0.51 117.51 120.95 1b93 h ILE 52 Ca 0.33 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1b93 h ILE 52 Cb 0.10 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1b93 h ILE 52 CO -0.14 0.26 -0.01 0.77 0.00 0.00 0.00 178.15 179.02 1b93 h SER 53 N 0.01 0.76 -0.44 1.72 4.64 -1.08 0.13 113.55 119.30 1b93 h SER 53 Ca 0.04 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1b93 h SER 53 Cb 0.40 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1b93 h SER 53 CO 0.01 0.84 -0.14 0.03 -0.87 0.00 0.00 176.83 176.69 1b93 h ARG 54 N 0.74 0.87 0.05 4.77 3.08 -0.65 0.24 114.38 123.48 1b93 h ARG 54 Ca 0.14 -0.35 -0.24 0.00 0.07 0.00 0.00 59.98 59.60 1b93 h ARG 54 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1b93 h ARG 54 CO 0.02 0.99 -1.17 0.00 -1.07 0.00 0.00 179.97 178.74 1b93 h ALA 55 N 0.85 0.28 0.00 0.04 0.00 -0.92 -3.39 119.26 116.13 1b93 h ALA 55 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1b93 h ALA 55 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1b93 h ALA 55 CO 0.05 1.17 -0.24 0.25 0.00 0.00 0.00 179.25 180.48 1b93 n THR 56 N -3.40 0.00 -0.98 0.00 -2.24 0.43 -5.00 114.28 103.09 1b93 n THR 56 Ca -0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1b93 n THR 56 Cb 0.98 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 1.35 0.94 3.77 3.38 0.00 0.86 -5.00 105.19 110.50 1b93 n GLY 57 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.05 4.64 0.19 1.61 -1.94 -1.26 -4.95 119.30 117.55 1b93 s MET 58 Ca 0.00 1.32 -0.27 0.00 -1.71 0.00 0.00 55.69 55.03 1b93 s MET 58 Cb 0.00 -3.01 -0.08 0.00 2.01 0.00 0.00 34.83 33.75 1b93 s MET 58 CO 0.00 0.40 0.85 1.21 -0.01 0.00 0.00 175.02 177.47 1b93 s ASN 59 N -1.43 7.50 -0.01 3.03 3.04 -1.26 -3.43 114.94 122.38 1b93 s ASN 59 Ca 0.45 1.77 0.03 0.00 0.04 0.00 0.00 52.86 55.15 1b93 s ASN 59 Cb -0.21 -2.55 -0.01 0.00 -1.54 0.00 0.00 41.25 36.94 1b93 s ASN 59 CO 0.26 0.17 -0.09 -0.69 -3.04 0.00 0.00 177.10 173.72 1b93 s VAL 60 N -1.09 0.71 -0.46 -5.21 1.01 -1.26 -4.57 120.40 109.53 1b93 s VAL 60 Ca 0.38 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 1b93 s VAL 60 Cb -0.24 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1b93 s VAL 60 CO 0.29 0.20 1.05 0.20 0.00 0.00 0.00 175.10 176.84 1b93 s ASN 61 N -0.23 6.60 0.23 3.32 -0.87 -0.16 -4.93 114.94 118.91 1b93 s ASN 61 Ca 0.03 0.37 -0.20 0.00 -1.57 0.00 0.00 52.86 51.49 1b93 s ASN 61 Cb -0.04 -2.51 -0.08 0.00 -0.02 0.00 0.00 41.25 38.60 1b93 s ASN 61 CO -0.00 -1.15 0.75 0.00 -2.57 0.00 0.00 177.10 174.12 1b93 s ALA 62 N 4.14 3.39 0.28 0.60 0.00 -1.26 -0.82 121.76 128.09 1b93 s ALA 62 Ca 0.44 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1b93 s ALA 62 Cb -0.08 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1b93 s ALA 62 CO 0.29 0.31 0.11 -1.64 0.00 0.00 0.00 175.76 174.83 1b93 s MET 63 N -1.96 1.48 0.82 0.00 -1.94 0.44 -4.91 119.30 113.24 1b93 s MET 63 Ca 0.43 -1.82 -0.12 0.00 -1.71 0.00 0.00 55.69 52.47 1b93 s MET 63 Cb -0.17 -0.27 0.09 0.00 2.01 0.00 0.00 34.83 36.49 1b93 s MET 63 CO 0.21 -0.33 1.18 -0.51 -0.01 0.00 0.00 175.02 175.56 1b93 s LEU 64 N -3.35 3.07 0.81 -0.03 1.43 -1.26 -0.69 118.68 118.66 1b93 s LEU 64 Ca 0.37 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.63 1b93 s LEU 64 Cb 0.07 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.80 1b93 s LEU 64 CO 0.15 -2.69 1.11 -0.94 0.23 0.00 0.00 176.35 174.20 1b93 s SER 65 N -2.40 4.04 0.12 2.29 1.04 -1.26 -2.52 113.70 115.01 1b93 s SER 65 Ca 0.70 1.93 -0.31 0.00 0.48 0.00 0.00 55.95 58.76 1b93 s SER 65 Cb -0.26 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.24 1b93 s SER 65 CO 0.52 -2.35 1.58 1.23 0.98 0.00 0.00 173.24 175.21 1b93 h GLY 66 N -1.34 -0.83 1.29 7.32 0.00 -1.91 -0.12 103.07 107.48 1b93 h GLY 66 Ca -0.43 0.53 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1b93 h GLY 66 CO 0.48 -0.25 0.27 -2.55 0.00 0.00 0.00 176.54 174.50 1b93 h PRO 67 N -0.60 0.00 -0.04 4.80 0.11 -1.95 -1.90 132.00 132.42 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 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1b93 h PRO 67 CO -0.31 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.15 1b93 n MET 68 N -3.99 1.72 0.00 1.05 2.81 -0.82 -4.90 117.12 112.99 1b93 n MET 68 Ca 0.04 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1b93 n MET 68 Cb 0.43 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.18 0.92 0.36 3.03 0.00 -0.72 -4.90 105.19 105.07 1b93 n GLY 69 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 1.15 1.08 -0.02 0.00 -1.06 -1.78 103.07 102.44 1b93 h GLY 70 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1b93 h GLY 70 CO 0.00 0.30 0.30 -0.55 0.00 0.00 0.00 176.54 176.59 1b93 h ASP 71 N 0.94 1.07 0.62 0.19 3.32 -1.79 -1.77 116.42 119.01 1b93 h ASP 71 Ca 0.34 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1b93 h ASP 71 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1b93 h ASP 71 CO -0.11 0.96 -0.63 1.56 -1.72 0.00 0.00 179.24 179.29 1b93 h GLN 72 N 1.13 0.01 -0.48 3.56 4.20 -1.74 -0.03 115.11 121.76 1b93 h GLN 72 Ca 0.26 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 1b93 h GLN 72 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1b93 h GLN 72 CO -0.02 0.64 0.10 1.96 -0.67 0.00 0.00 178.83 180.84 1b93 h GLN 73 N 0.01 0.78 -0.33 1.46 4.20 -0.95 0.20 115.11 120.48 1b93 h GLN 73 Ca -0.01 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 1b93 h GLN 73 Cb 1.12 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1b93 h GLN 73 CO 0.08 0.77 -0.14 0.28 -0.67 0.00 0.00 178.83 179.15 1b93 h VAL 74 N 0.65 1.29 -0.95 -0.54 2.07 -1.10 -2.10 116.25 115.57 1b93 h VAL 74 Ca 0.15 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1b93 h VAL 74 Cb 0.36 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1b93 h VAL 74 CO 0.01 0.40 0.61 1.23 0.02 0.00 0.00 177.57 179.84 1b93 h GLY 75 N 0.46 1.36 1.00 2.17 0.00 -0.78 -0.20 103.07 107.08 1b93 h GLY 75 Ca 0.08 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1b93 h GLY 75 CO 0.05 0.52 0.31 0.00 0.00 0.00 0.00 176.54 177.41 1b93 h ALA 76 N 1.37 0.85 -0.63 3.60 0.00 -0.40 -1.77 119.26 122.27 1b93 h ALA 76 Ca 0.35 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1b93 h ALA 76 Cb -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1b93 h ALA 76 CO -0.07 0.42 0.11 -0.07 0.00 0.00 0.00 179.25 179.64 1b93 h LEU 77 N 0.91 0.98 -0.42 0.00 3.38 -0.67 -2.42 115.31 117.07 1b93 h LEU 77 Ca 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1b93 h LEU 77 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1b93 h LEU 77 CO -0.03 0.97 0.19 0.40 0.09 0.00 0.00 178.44 180.06 1b93 h ILE 78 N 0.97 1.19 0.00 1.22 2.04 -0.74 0.65 117.51 122.83 1b93 h ILE 78 Ca 0.20 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1b93 h ILE 78 Cb 0.40 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1b93 h ILE 78 CO 0.01 0.20 -0.10 0.77 0.00 0.00 0.00 178.15 179.03 1b93 h SER 79 N 0.53 0.00 -0.25 1.72 4.64 -1.10 -1.32 113.55 117.78 1b93 h SER 79 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1b93 h SER 79 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1b93 h SER 79 CO -0.02 0.10 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 1b93 n GLU 80 N -3.60 2.00 -1.39 4.77 1.02 -0.93 -4.93 120.64 117.59 1b93 n GLU 80 Ca -0.02 -1.51 -0.07 0.00 -0.02 0.00 0.00 57.16 55.55 1b93 n GLU 80 Cb 0.22 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.25 0.73 0.37 0.62 0.00 -0.50 -4.93 105.19 102.74 1b93 n GLY 81 Ca 0.17 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.57 0.91 -4.88 1.61 5.02 0.18 -4.85 118.16 113.59 1b93 n LYS 82 Ca -0.07 -0.74 -0.28 0.00 -2.02 0.00 0.00 58.31 55.20 1b93 n LYS 82 Cb 0.29 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.60 1.55 -0.05 -0.18 -1.09 -1.21 -4.80 121.20 112.83 1b93 s ILE 83 Ca 0.16 -0.73 0.15 0.00 -2.23 0.00 0.00 60.65 58.01 1b93 s ILE 83 Cb 0.18 -1.37 -0.23 0.00 -1.58 0.00 0.00 42.46 39.46 1b93 s ILE 83 CO 0.64 0.45 0.28 0.47 -1.23 0.00 0.00 174.94 175.54 1b93 n ASP 84 N 3.64 1.49 -3.81 3.58 8.00 0.12 -4.72 116.55 124.84 1b93 n ASP 84 Ca -0.21 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.16 1b93 n ASP 84 Cb 0.52 1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 43.01 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 -2.92 -0.02 -0.16 2.53 1.01 -1.07 -3.77 120.40 116.01 1b93 s VAL 85 Ca -0.06 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1b93 s VAL 85 Cb 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1b93 s VAL 85 CO 0.63 0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 175.35 1b93 s LEU 86 N 0.38 1.98 -0.41 3.92 2.96 -0.50 -1.03 118.68 125.98 1b93 s LEU 86 Ca -0.03 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1b93 s LEU 86 Cb -0.04 -1.37 0.09 0.00 0.50 0.00 0.00 46.19 45.37 1b93 s LEU 86 CO -0.01 -0.00 0.22 -0.63 -1.32 0.00 0.00 176.35 174.60 1b93 s ILE 87 N 1.26 3.76 -0.45 6.68 -1.09 0.01 -1.23 121.20 130.14 1b93 s ILE 87 Ca 0.03 -1.66 0.04 0.00 -2.23 0.00 0.00 60.65 56.82 1b93 s ILE 87 Cb -0.13 -3.39 0.12 0.00 -1.58 0.00 0.00 42.46 37.47 1b93 s ILE 87 CO -0.10 -0.55 0.18 0.12 -1.23 0.00 0.00 174.94 173.36 1b93 s PHE 88 N 1.30 3.28 -1.21 3.97 5.36 -0.01 -0.64 117.98 130.04 1b93 s PHE 88 Ca 0.04 -3.04 -0.14 0.00 -0.96 0.00 0.00 56.93 52.83 1b93 s PHE 88 Cb -0.23 -2.78 0.16 0.00 -0.34 0.00 0.00 43.02 39.83 1b93 s PHE 88 CO -0.01 -0.82 1.46 -0.06 -1.46 0.00 0.00 175.22 174.33 1b93 s PHE 89 N 0.22 3.43 0.53 10.12 0.08 -0.25 -4.13 117.98 127.99 1b93 s PHE 89 Ca 0.15 -2.08 -0.12 0.00 0.12 0.00 0.00 56.93 55.00 1b93 s PHE 89 Cb -0.23 -4.35 -0.05 0.00 -0.57 0.00 0.00 43.02 37.81 1b93 s PHE 89 CO -0.04 -1.43 0.94 1.67 -0.10 0.00 0.00 175.22 176.26 1b93 s TRP 90 N 1.83 3.54 -0.49 0.36 1.48 -1.26 -2.61 118.94 121.79 1b93 s TRP 90 Ca 0.44 1.23 -0.23 0.00 -1.06 0.00 0.00 56.10 56.48 1b93 s TRP 90 Cb -0.02 -2.64 0.03 0.00 -1.16 0.00 0.00 33.47 29.69 1b93 s TRP 90 CO 0.01 -0.44 0.82 0.34 -4.06 0.00 0.00 176.95 173.61 1b93 s ASP 91 N -3.68 6.38 0.00 -2.66 -1.08 -1.26 -4.92 116.67 109.45 1b93 s ASP 91 Ca 0.54 -0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.63 1b93 s ASP 91 Cb -0.10 -2.39 1.63 0.00 -1.46 0.00 0.00 42.92 40.60 1b93 s ASP 91 CO 0.42 -1.01 2.09 -0.81 0.52 0.00 0.00 175.17 176.38 1b93 n PRO 92 N 6.90 0.89 -0.09 4.34 -0.04 -1.26 -3.66 135.00 142.08 1b93 n PRO 92 Ca 0.01 -0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 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 -0.94 2.43 -3.78 1.53 4.77 -1.26 -4.99 117.00 114.75 1b93 n LEU 93 Ca 0.20 -2.68 -0.13 0.00 -0.03 0.00 0.00 56.01 53.37 1b93 n LEU 93 Cb 0.19 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.86 1b93 n LEU 93 CO 0.20 0.64 -0.17 0.20 -1.33 0.00 0.00 177.39 176.94 1b93 s ASN 94 N -2.09 -0.19 -0.07 -1.43 0.01 -1.24 -5.13 114.94 104.80 1b93 s ASN 94 Ca 0.23 0.39 -0.30 0.00 -0.71 0.00 0.00 52.86 52.46 1b93 s ASN 94 Cb 0.19 0.35 -0.02 0.00 0.41 0.00 0.00 41.25 42.18 1b93 s ASN 94 CO 0.03 -0.10 1.01 0.00 -1.51 0.00 0.00 177.10 176.54 1b93 s ALA 95 N 0.50 3.35 -0.00 0.60 0.00 -1.26 -4.88 121.76 120.07 1b93 s ALA 95 Ca -0.03 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1b93 s ALA 95 Cb -0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1b93 s ALA 95 CO -0.02 -0.52 -0.08 0.14 0.00 0.00 0.00 175.76 175.28 1b93 s VAL 96 N 1.76 3.57 0.31 0.00 -7.23 -1.26 -5.03 120.40 112.52 1b93 s VAL 96 Ca 0.50 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1b93 s VAL 96 Cb -0.19 -2.54 0.19 0.00 0.56 0.00 0.00 36.38 34.40 1b93 s VAL 96 CO 0.21 0.42 1.89 1.55 -0.31 0.00 0.00 175.10 178.86 1b93 h PRO 97 N 4.62 0.81 -1.15 4.82 0.13 -2.03 -2.77 132.00 136.43 1b93 h PRO 97 Ca -0.48 -0.12 -0.34 0.00 -0.87 0.00 0.00 66.00 64.18 1b93 h PRO 97 Cb 1.17 -0.14 -0.18 0.00 0.13 0.00 0.00 31.00 31.98 1b93 h PRO 97 CO 0.53 0.67 0.43 -2.39 -0.23 0.00 0.00 178.00 177.01 1b93 n HIS 98 N -4.33 1.84 -0.35 1.56 1.44 -1.26 -4.55 115.22 109.57 1b93 n HIS 98 Ca 0.05 -1.63 0.08 0.00 -2.01 0.00 0.00 57.72 54.21 1b93 n HIS 98 Cb 0.16 -0.81 0.27 0.00 0.12 0.00 0.00 29.99 29.73 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 0.96 0.88 -0.86 4.39 3.58 -1.92 -0.98 116.42 122.47 1b93 h ASP 99 Ca 0.37 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.92 1b93 h ASP 99 Cb 1.65 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.53 1b93 h ASP 99 CO 0.76 0.45 0.54 -0.65 -2.88 0.00 0.00 179.24 177.46 1b93 h PRO 100 N 0.94 0.99 -0.83 0.28 0.11 -1.88 -0.52 132.00 131.08 1b93 h PRO 100 Ca 0.50 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1b93 h PRO 100 Cb 0.57 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 1b93 h PRO 100 CO -0.27 0.66 0.41 -0.44 -0.21 0.00 0.00 178.00 178.14 1b93 h ASP 101 N 1.02 1.08 0.07 -2.05 5.19 -1.57 0.81 116.42 120.97 1b93 h ASP 101 Ca 0.36 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1b93 h ASP 101 Cb 0.09 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1b93 h ASP 101 CO -0.14 0.90 -0.03 0.58 -3.12 0.00 0.00 179.24 177.42 1b93 h VAL 102 N 1.17 0.99 -0.40 -1.35 2.07 -0.72 -0.74 116.25 117.27 1b93 h VAL 102 Ca 0.29 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 1b93 h VAL 102 Cb 0.10 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1b93 h VAL 102 CO -0.04 0.05 -0.03 0.11 0.02 0.00 0.00 177.57 177.68 1b93 h LYS 103 N -0.18 0.65 -0.51 1.57 6.56 -0.89 -2.15 116.57 121.62 1b93 h LYS 103 Ca -0.01 -0.17 -0.10 0.00 -1.06 0.00 0.00 60.65 59.31 1b93 h LYS 103 Cb 0.15 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 1b93 h LYS 103 CO 0.02 0.69 -0.07 0.00 -2.06 0.00 0.00 179.45 178.03 1b93 h ALA 104 N 1.36 0.69 -0.39 3.86 0.00 -0.63 -0.47 119.26 123.68 1b93 h ALA 104 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1b93 h ALA 104 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1b93 h ALA 104 CO 0.02 0.57 0.12 1.25 0.00 0.00 0.00 179.25 181.20 1b93 h LEU 105 N 0.81 0.58 -1.13 0.00 5.85 -0.91 -1.42 115.31 119.09 1b93 h LEU 105 Ca 0.14 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1b93 h LEU 105 Cb 0.61 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1b93 h LEU 105 CO 0.04 0.64 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.45 1b93 h LEU 106 N 0.49 0.30 -0.35 2.25 3.38 -1.29 -1.36 115.31 118.73 1b93 h LEU 106 Ca 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1b93 h LEU 106 Cb 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1b93 h LEU 106 CO -0.00 0.56 0.08 -0.09 0.09 0.00 0.00 178.44 179.07 1b93 h ARG 107 N 0.27 0.56 -0.60 1.13 2.43 -0.74 -2.34 114.38 115.09 1b93 h ARG 107 Ca 0.04 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 1b93 h ARG 107 Cb 0.60 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1b93 h ARG 107 CO 0.04 0.62 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.03 1b93 h LEU 108 N 0.41 1.04 -1.43 3.80 3.38 -0.94 -1.21 115.31 120.35 1b93 h LEU 108 Ca 0.11 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1b93 h LEU 108 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1b93 h LEU 108 CO 0.00 1.09 -0.15 0.00 0.09 0.00 0.00 178.44 179.48 1b93 h ALA 109 N 1.01 1.53 -0.08 1.53 0.00 -1.18 -1.01 119.26 121.07 1b93 h ALA 109 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1b93 h ALA 109 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b93 h ALA 109 CO 0.03 0.34 -0.28 1.15 0.00 0.00 0.00 179.25 180.49 1b93 h THR 110 N 0.18 1.42 -0.57 0.00 2.02 -1.04 -2.98 112.91 111.94 1b93 h THR 110 Ca 0.04 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1b93 h THR 110 Cb 0.38 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 1b93 h THR 110 CO 0.02 0.48 0.36 0.58 0.37 0.00 0.00 175.52 177.33 1b93 h VAL 111 N -0.16 1.16 -0.16 3.16 2.07 -0.96 -2.74 116.25 118.63 1b93 h VAL 111 Ca -0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1b93 h VAL 111 Cb 0.91 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1b93 h VAL 111 CO 0.06 0.16 0.00 0.79 0.02 0.00 0.00 177.57 178.60 1b93 n TRP 112 N -4.66 0.21 -3.92 1.57 7.02 -0.40 -4.61 117.44 112.64 1b93 n TRP 112 Ca 0.04 -0.10 -0.26 0.00 -1.02 0.00 0.00 57.50 56.15 1b93 n TRP 112 Cb 0.04 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.02 -1.44 -4.78 -0.99 5.15 -1.03 -4.88 115.26 107.27 1b93 n ASN 113 Ca 0.10 -0.93 -0.27 0.00 -0.60 0.00 0.00 54.58 52.87 1b93 n ASN 113 Cb 0.18 -3.37 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 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 -3.73 4.44 0.18 -1.44 -4.36 -1.14 -4.89 121.20 110.26 1b93 s ILE 114 Ca 0.18 -1.03 -0.32 0.00 -0.26 0.00 0.00 60.65 59.21 1b93 s ILE 114 Cb -0.09 -3.23 -0.11 0.00 1.25 0.00 0.00 42.46 40.27 1b93 s ILE 114 CO 0.87 -0.05 1.76 -2.84 0.24 0.00 0.00 174.94 174.92 1b93 s PRO 115 N -2.93 4.13 -0.04 0.37 0.02 -1.25 -4.84 135.00 130.46 1b93 s PRO 115 Ca 0.30 2.61 0.02 0.00 0.02 0.00 0.00 61.00 63.95 1b93 s PRO 115 Cb -0.10 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.18 1b93 s PRO 115 CO 0.23 -0.79 -0.08 0.08 -0.33 0.00 0.00 177.00 176.11 1b93 s VAL 116 N 1.70 0.74 -0.07 3.83 1.01 -1.26 -1.41 120.40 124.94 1b93 s VAL 116 Ca 0.77 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1b93 s VAL 116 Cb -0.49 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1b93 s VAL 116 CO 0.34 0.25 -0.18 0.00 0.00 0.00 0.00 175.10 175.51 1b93 s ALA 117 N 0.47 1.66 -0.97 5.51 0.00 -0.37 -4.96 121.76 123.11 1b93 s ALA 117 Ca -0.07 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1b93 s ALA 117 Cb -0.11 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.42 1b93 s ALA 117 CO 0.01 0.22 0.73 0.25 0.00 0.00 0.00 175.76 176.97 1b93 n THR 118 N 3.53 0.00 -4.03 0.00 -2.24 -1.26 -0.83 114.28 109.45 1b93 n THR 118 Ca -0.20 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 1b93 n THR 118 Cb 0.52 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.74 0.07 0.20 3.42 6.03 -1.26 -4.37 114.94 118.30 1b93 s ASN 119 Ca 0.09 -1.00 -0.11 0.00 -1.03 0.00 0.00 52.86 50.81 1b93 s ASN 119 Cb 0.07 0.43 0.13 0.00 -3.03 0.00 0.00 41.25 38.85 1b93 s ASN 119 CO 0.11 -0.90 1.86 0.58 -2.03 0.00 0.00 177.10 176.72 1b93 h VAL 120 N 2.55 1.19 -0.57 3.54 2.07 -1.96 -1.91 116.25 121.16 1b93 h VAL 120 Ca -0.32 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1b93 h VAL 120 Cb 1.23 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1b93 h VAL 120 CO 0.48 0.19 0.27 0.00 0.02 0.00 0.00 177.57 178.53 1b93 h ALA 121 N 1.25 0.74 -0.41 1.67 0.00 -1.99 0.36 119.26 120.87 1b93 h ALA 121 Ca 0.26 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1b93 h ALA 121 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1b93 h ALA 121 CO -0.05 -0.09 -0.14 1.15 0.00 0.00 0.00 179.25 180.12 1b93 h THR 122 N 0.52 1.28 -0.63 0.00 2.02 -1.94 -2.38 112.91 111.77 1b93 h THR 122 Ca 0.26 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.19 1b93 h THR 122 Cb 0.21 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1b93 h THR 122 CO -0.20 0.42 0.41 0.00 0.37 0.00 0.00 175.52 176.53 1b93 h ALA 123 N 0.84 0.80 -0.46 6.16 0.00 -0.78 -1.32 119.26 124.49 1b93 h ALA 123 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1b93 h ALA 123 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1b93 h ALA 123 CO 0.05 0.23 0.19 -0.44 0.00 0.00 0.00 179.25 179.28 1b93 h ASP 124 N 0.85 0.63 -0.79 0.00 3.32 -0.88 -1.26 116.42 118.30 1b93 h ASP 124 Ca 0.23 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1b93 h ASP 124 Cb -0.09 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1b93 h ASP 124 CO -0.05 0.62 0.43 -0.26 -1.72 0.00 0.00 179.24 178.26 1b93 h PHE 125 N 0.60 1.08 -0.04 4.55 -1.00 -1.11 -1.70 116.94 119.31 1b93 h PHE 125 Ca 0.15 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1b93 h PHE 125 Cb 0.18 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 1b93 h PHE 125 CO 0.00 0.76 -0.01 0.82 -1.61 0.00 0.00 178.31 178.27 1b93 h ILE 126 N 1.09 1.28 0.00 -0.55 2.04 -1.05 -2.72 117.51 117.60 1b93 h ILE 126 Ca 0.28 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1b93 h ILE 126 Cb 0.03 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1b93 h ILE 126 CO -0.04 0.23 -0.15 -0.29 0.00 0.00 0.00 178.15 177.89 1b93 h ILE 127 N -0.26 0.48 -0.00 -0.67 2.10 -1.16 -1.96 117.51 116.05 1b93 h ILE 127 Ca 0.01 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 65.16 1b93 h ILE 127 Cb 0.37 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1b93 h ILE 127 CO 0.00 0.15 -0.27 0.00 -1.08 0.00 0.00 178.15 176.96 1b93 n GLN 128 N -3.44 0.55 -1.99 2.19 6.02 -0.65 -4.86 117.38 115.19 1b93 n GLN 128 Ca -0.01 -0.28 -0.41 0.00 -0.01 0.00 0.00 57.00 56.29 1b93 n GLN 128 Cb 0.33 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.65 6.61 0.24 1.08 0.15 -0.74 -4.92 113.70 113.48 1b93 s SER 129 Ca 0.22 2.80 -0.06 0.00 0.70 0.00 0.00 55.95 59.61 1b93 s SER 129 Cb 0.19 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 62.29 1b93 s SER 129 CO 0.55 -0.68 1.69 1.55 1.20 0.00 0.00 173.24 177.55 1b93 h PRO 130 N 3.63 0.25 -0.55 5.44 0.13 -1.90 -2.30 132.00 136.71 1b93 h PRO 130 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b93 h PRO 130 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1b93 h PRO 130 CO 0.68 0.17 0.00 0.72 -0.23 0.00 0.00 178.00 179.33 1b93 n HIS 131 N -5.16 0.40 0.22 1.56 8.25 -1.26 -4.03 115.22 115.19 1b93 n HIS 131 Ca 0.13 -0.16 0.06 0.00 -0.26 0.00 0.00 57.72 57.49 1b93 n HIS 131 Cb 0.44 -0.11 0.49 0.00 1.12 0.00 0.00 29.99 31.93 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 1.09 0.00 -0.52 4.41 3.57 -1.70 -2.37 116.94 121.41 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 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1b93 h PHE 132 CO 0.21 0.25 0.00 0.09 -2.23 0.00 0.00 178.31 176.63 1b93 n ASN 133 N -4.07 3.51 -4.79 0.41 5.03 -1.26 -4.77 115.26 109.32 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 0.31 -0.35 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 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 -1.13 5.27 0.10 6.41 1.01 -0.89 -4.63 116.67 122.80 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 0.21 -1.19 -0.06 0.00 1.01 0.00 0.00 42.92 42.90 1b93 s ASP 134 CO 0.28 -0.11 0.95 0.00 0.21 0.00 0.00 175.17 176.51 1b93 s ALA 135 N -2.22 3.24 0.01 5.23 0.00 -1.26 -4.04 121.76 122.72 1b93 s ALA 135 Ca 0.34 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1b93 s ALA 135 Cb -0.07 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1b93 s ALA 135 CO 0.24 -0.04 -0.03 0.14 0.00 0.00 0.00 175.76 176.07 1b93 s VAL 136 N 0.08 0.19 0.09 0.00 -7.23 -0.61 -4.93 120.40 107.98 1b93 s VAL 136 Ca 0.47 -0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 60.17 1b93 s VAL 136 Cb -0.23 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.43 1b93 s VAL 136 CO 0.29 -0.12 0.39 -1.81 -0.31 0.00 0.00 175.10 173.54 1b93 s ASP 137 N -0.53 6.61 0.08 4.85 1.11 -1.26 0.37 116.67 127.90 1b93 s ASP 137 Ca -0.04 0.75 0.05 0.00 0.18 0.00 0.00 52.55 53.49 1b93 s ASP 137 Cb -0.04 -2.16 -0.03 0.00 1.07 0.00 0.00 42.92 41.76 1b93 s ASP 137 CO -0.00 0.15 -0.13 0.27 1.18 0.00 0.00 175.17 176.64 1b93 s ILE 138 N -1.44 1.04 -0.10 0.77 -4.36 -0.20 -4.95 121.20 111.96 1b93 s ILE 138 Ca 0.34 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 59.09 1b93 s ILE 138 Cb -0.14 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 1b93 s ILE 138 CO 0.19 -0.33 0.77 -0.22 0.24 0.00 0.00 174.94 175.59 1b93 s LEU 139 N -1.95 4.27 0.14 0.37 2.96 -1.26 -1.82 118.68 121.40 1b93 s LEU 139 Ca -0.00 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1b93 s LEU 139 Cb -0.08 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1b93 s LEU 139 CO 0.02 -0.22 -0.04 0.27 -1.32 0.00 0.00 176.35 175.05 1b93 s ILE 140 N 1.28 0.77 0.36 6.68 -4.36 0.97 -4.72 121.20 122.18 1b93 s ILE 140 Ca 0.39 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 1b93 s ILE 140 Cb -0.18 -1.91 -0.11 0.00 1.25 0.00 0.00 42.46 41.52 1b93 s ILE 140 CO 0.17 -0.67 1.45 -2.84 0.24 0.00 0.00 174.94 173.29 1b93 s PRO 141 N -3.86 4.17 -1.01 0.37 0.02 -1.26 -0.16 135.00 133.27 1b93 s PRO 141 Ca 0.18 2.49 -0.15 0.00 0.02 0.00 0.00 61.00 63.54 1b93 s PRO 141 Cb 0.05 -2.99 0.19 0.00 0.02 0.00 0.00 34.50 31.77 1b93 s PRO 141 CO 0.00 -0.45 1.11 0.34 -0.33 0.00 0.00 177.00 177.67 1b93 s ASP 142 N -0.21 6.90 0.16 2.53 -1.08 0.62 -4.64 116.67 120.95 1b93 s ASP 142 Ca 0.52 -2.73 -0.14 0.00 -0.52 0.00 0.00 52.55 49.68 1b93 s ASP 142 Cb -0.45 -2.32 0.04 0.00 -1.46 0.00 0.00 42.92 38.73 1b93 s ASP 142 CO 0.60 -0.72 1.76 0.22 0.52 0.00 0.00 175.17 177.55 1b93 h TYR 143 N 7.76 0.69 0.26 -5.34 3.20 -1.91 -0.21 116.97 121.42 1b93 h TYR 143 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1b93 h TYR 143 Cb 0.96 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1b93 h TYR 143 CO 1.04 0.52 -0.31 1.96 -1.64 0.00 0.00 178.16 179.74 1b93 h GLN 144 N 0.66 -0.60 -0.69 1.82 7.50 -1.99 0.34 115.11 122.15 1b93 h GLN 144 Ca 0.17 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1b93 h GLN 144 Cb 0.07 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.70 1b93 h GLN 144 CO -0.03 -0.40 0.45 0.00 -1.50 0.00 0.00 178.83 177.35 1b93 h ARG 145 N -0.62 0.92 -0.17 1.46 3.08 -1.96 -2.43 114.38 114.65 1b93 h ARG 145 Ca -0.00 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1b93 h ARG 145 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1b93 h ARG 145 CO -0.09 0.62 0.02 -0.92 -1.07 0.00 0.00 179.97 178.53 1b93 h TYR 146 N 0.94 0.03 0.00 3.04 5.03 -0.61 -3.16 116.97 122.24 1b93 h TYR 146 Ca 0.25 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1b93 h TYR 146 Cb -0.09 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1b93 h TYR 146 CO -0.02 0.00 -0.07 1.25 -1.32 0.00 0.00 178.16 177.99 1b93 h LEU 147 N 0.08 -0.23 0.00 2.82 5.85 0.12 -3.51 115.31 120.45 1b93 h LEU 147 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1b93 h LEU 147 Cb 0.08 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1b93 h LEU 147 CO -0.12 -0.07 0.00 0.00 -0.34 0.00 0.00 178.44 177.91