#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 3.85 0.05 2.12 0.41 -1.26 -5.01 118.70 118.86 1b93 s GLU 2 Ca 0.00 0.33 0.07 0.00 -0.41 0.00 0.00 54.97 54.96 1b93 s GLU 2 Cb 0.00 -3.17 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 1b93 s GLU 2 CO 0.00 0.67 -0.17 -0.51 -0.49 0.00 0.00 175.26 174.76 1b93 s LEU 3 N -1.25 2.67 0.00 1.80 1.43 -1.26 -0.22 118.68 121.85 1b93 s LEU 3 Ca 0.25 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1b93 s LEU 3 Cb -0.16 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 1b93 s LEU 3 CO 0.14 0.25 0.01 1.07 0.23 0.00 0.00 176.35 178.04 1b93 n THR 4 N 1.45 0.00 -4.36 5.49 5.66 0.23 -4.77 114.28 117.97 1b93 n THR 4 Ca -0.16 -0.08 -0.19 0.00 -3.05 0.00 0.00 64.05 60.57 1b93 n THR 4 Cb 0.52 0.03 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.69 1.83 0.02 1.09 -4.23 -1.26 -0.46 115.64 110.94 1b93 s THR 5 Ca 0.01 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 1b93 s THR 5 Cb 0.00 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1b93 s THR 5 CO 0.01 -0.56 0.04 -0.60 -0.54 0.00 0.00 174.62 172.96 1b93 s ARG 6 N -3.63 0.43 -0.21 3.99 3.52 -0.64 -4.88 118.95 117.53 1b93 s ARG 6 Ca 0.24 -0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1b93 s ARG 6 Cb -0.01 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1b93 s ARG 6 CO 0.08 -0.09 -0.05 0.99 -0.81 0.00 0.00 175.30 175.43 1b93 s THR 7 N -1.79 3.41 0.01 4.11 2.01 -1.26 -1.10 115.64 121.03 1b93 s THR 7 Ca -0.12 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1b93 s THR 7 Cb -0.07 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1b93 s THR 7 CO -0.01 0.43 1.09 -0.76 -0.69 0.00 0.00 174.62 174.68 1b93 s LEU 8 N 1.31 4.35 0.91 4.42 1.43 -0.11 -4.89 118.68 126.11 1b93 s LEU 8 Ca 0.04 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 1b93 s LEU 8 Cb -0.14 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.65 1b93 s LEU 8 CO -0.02 -0.39 1.10 -2.16 0.23 0.00 0.00 176.35 175.11 1b93 s PRO 9 N 1.20 1.08 0.13 1.29 0.04 -1.26 -2.09 135.00 135.39 1b93 s PRO 9 Ca 0.55 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 1b93 s PRO 9 Cb -0.25 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1b93 s PRO 9 CO 0.27 -2.47 1.72 0.00 0.04 0.00 0.00 177.00 176.57 1b93 h ALA 10 N -1.73 0.16 -2.11 8.56 0.00 -1.82 -3.34 119.26 118.98 1b93 h ALA 10 Ca -0.47 0.05 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 1b93 h ALA 10 Cb 1.27 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1b93 h ALA 10 CO 0.48 -0.44 0.27 1.03 0.00 0.00 0.00 179.25 180.60 1b93 s ARG 11 N -6.19 3.39 0.46 0.00 0.52 -1.26 -4.28 118.95 111.58 1b93 s ARG 11 Ca -0.13 -0.17 -0.20 0.00 -0.52 0.00 0.00 55.73 54.71 1b93 s ARG 11 Cb 0.10 -3.93 -0.10 0.00 0.52 0.00 0.00 34.95 31.54 1b93 s ARG 11 CO 0.68 -1.06 0.96 0.15 0.02 0.00 0.00 175.30 176.06 1b93 s LYS 12 N 3.10 4.13 -0.49 3.54 -0.14 -1.25 -4.75 119.74 123.88 1b93 s LYS 12 Ca 0.27 1.07 -0.18 0.00 -1.36 0.00 0.00 55.97 55.77 1b93 s LYS 12 Cb -0.13 -2.16 0.06 0.00 -1.68 0.00 0.00 37.83 33.92 1b93 s LYS 12 CO 0.21 -0.11 0.57 -1.01 -0.76 0.00 0.00 175.35 174.25 1b93 s HIS 13 N -2.32 3.09 -0.18 3.18 3.76 -1.26 -1.16 115.29 120.40 1b93 s HIS 13 Ca 0.61 -0.61 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1b93 s HIS 13 Cb -0.09 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 1b93 s HIS 13 CO 0.19 -0.97 0.04 0.42 -0.85 0.00 0.00 174.74 173.57 1b93 s ILE 14 N 2.41 4.57 -0.21 0.60 1.01 0.55 0.00 121.20 130.12 1b93 s ILE 14 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1b93 s ILE 14 Cb -0.20 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1b93 s ILE 14 CO 0.11 0.46 0.11 0.00 0.00 0.00 0.00 174.94 175.62 1b93 s ALA 15 N 0.46 3.53 -0.25 9.38 0.00 -0.14 -0.52 121.76 134.22 1b93 s ALA 15 Ca 0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1b93 s ALA 15 Cb -0.13 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1b93 s ALA 15 CO 0.01 -0.00 -0.03 -0.51 0.00 0.00 0.00 175.76 175.23 1b93 s LEU 16 N 0.69 3.21 -0.05 0.00 1.43 0.77 -0.69 118.68 124.05 1b93 s LEU 16 Ca 0.06 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1b93 s LEU 16 Cb -0.13 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1b93 s LEU 16 CO 0.01 -0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 175.73 1b93 s VAL 17 N 1.40 0.71 -0.04 -1.59 1.01 0.51 -3.27 120.40 119.14 1b93 s VAL 17 Ca 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1b93 s VAL 17 Cb -0.16 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1b93 s VAL 17 CO -0.03 0.26 0.10 0.00 0.00 0.00 0.00 175.10 175.43 1b93 s ALA 18 N 0.76 -0.25 0.52 5.51 0.00 -1.26 -0.28 121.76 126.76 1b93 s ALA 18 Ca -0.12 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1b93 s ALA 18 Cb -0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 1b93 s ALA 18 CO 0.01 -0.05 0.98 -1.01 0.00 0.00 0.00 175.76 175.69 1b93 s HIS 19 N 0.12 3.47 0.28 0.00 3.76 -0.81 -4.76 115.29 117.35 1b93 s HIS 19 Ca -0.01 1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 56.30 1b93 s HIS 19 Cb -0.01 -2.77 0.57 0.00 1.11 0.00 0.00 32.58 31.48 1b93 s HIS 19 CO -0.00 -0.39 1.59 -0.44 -0.85 0.00 0.00 174.74 174.64 1b93 h ASP 20 N 0.79 -0.56 0.06 1.40 3.32 -2.01 0.47 116.42 119.89 1b93 h ASP 20 Ca -0.46 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1b93 h ASP 20 Cb 1.19 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1b93 h ASP 20 CO 0.62 -0.29 0.00 1.41 -1.72 0.00 0.00 179.24 179.25 1b93 n HIS 21 N -5.48 0.00 0.08 4.55 8.25 -1.26 -2.96 115.22 118.39 1b93 n HIS 21 Ca 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1b93 n HIS 21 Cb 0.60 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 0.35 1.08 -0.61 0.00 1.57 -1.18 -0.84 116.57 116.93 1b93 h LYS 23 Ca 0.00 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1b93 h LYS 23 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1b93 h LYS 23 CO 0.00 0.80 0.01 1.96 -0.57 0.00 0.00 179.45 181.66 1b93 h GLN 24 N 1.07 1.07 -0.46 3.15 4.20 -1.85 0.41 115.11 122.70 1b93 h GLN 24 Ca 0.27 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1b93 h GLN 24 Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1b93 h GLN 24 CO -0.04 1.04 0.11 1.98 -0.67 0.00 0.00 178.83 181.25 1b93 h MET 25 N 0.98 0.69 -0.05 1.46 1.85 -1.78 -1.01 114.93 117.07 1b93 h MET 25 Ca 0.18 -0.12 -0.21 0.00 -0.61 0.00 0.00 59.70 58.93 1b93 h MET 25 Cb 0.54 -0.11 0.01 0.00 0.43 0.00 0.00 31.60 32.48 1b93 h MET 25 CO 0.03 0.62 -0.80 1.25 -0.40 0.00 0.00 176.91 177.61 1b93 h LEU 26 N 0.67 0.79 -0.57 3.39 5.85 -0.63 -2.98 115.31 121.82 1b93 h LEU 26 Ca 0.15 -0.71 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1b93 h LEU 26 Cb 0.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1b93 h LEU 26 CO -0.00 1.38 0.36 0.24 -0.34 0.00 0.00 178.44 180.08 1b93 h MET 27 N 0.26 0.71 -0.82 1.25 2.86 -0.63 -0.31 114.93 118.24 1b93 h MET 27 Ca -0.09 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1b93 h MET 27 Cb 1.46 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.93 1b93 h MET 27 CO 0.16 0.47 0.49 0.77 1.06 0.00 0.00 176.91 179.85 1b93 h SER 28 N 0.73 0.99 -0.57 1.22 0.02 -1.26 0.18 113.55 114.87 1b93 h SER 28 Ca 0.22 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1b93 h SER 28 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1b93 h SER 28 CO -0.07 0.78 0.14 -0.25 -1.14 0.00 0.00 176.83 176.28 1b93 h TRP 29 N 1.13 0.96 0.05 3.45 7.01 -1.24 -1.69 115.95 125.62 1b93 h TRP 29 Ca 0.29 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1b93 h TRP 29 Cb -0.03 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.76 1b93 h TRP 29 CO -0.00 0.82 -0.03 0.28 -2.79 0.00 0.00 178.44 176.72 1b93 h VAL 30 N 0.82 1.06 -0.86 2.65 2.07 -0.57 -2.34 116.25 119.08 1b93 h VAL 30 Ca 0.18 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1b93 h VAL 30 Cb 0.34 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 1b93 h VAL 30 CO 0.00 0.09 0.49 -0.33 0.02 0.00 0.00 177.57 177.84 1b93 h GLU 31 N -0.23 0.73 0.00 1.57 5.08 -0.88 0.47 114.58 121.32 1b93 h GLU 31 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1b93 h GLU 31 Cb 0.20 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1b93 h GLU 31 CO 0.01 0.49 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.27 1b93 h ARG 32 N 0.76 0.00 0.00 2.33 2.43 -1.06 -2.98 114.38 115.85 1b93 h ARG 32 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1b93 h ARG 32 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1b93 h ARG 32 CO -0.30 0.15 -0.02 0.72 -1.51 0.00 0.00 179.97 179.01 1b93 n HIS 33 N -3.79 0.00 -0.20 2.20 8.25 -0.22 -4.85 115.22 116.60 1b93 n HIS 33 Ca -0.02 -0.83 -0.01 0.00 -0.26 0.00 0.00 57.72 56.60 1b93 n HIS 33 Cb 0.25 -0.12 0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 0.00 0.02 -0.97 -0.41 4.15 0.02 -0.50 115.11 117.42 1b93 h GLN 34 Ca 0.00 -0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1b93 h GLN 34 Cb 0.91 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.51 1b93 h GLN 34 CO 0.00 0.01 0.61 -1.35 -1.93 0.00 0.00 178.83 176.17 1b93 h PRO 35 N 0.02 0.91 -0.02 -2.39 0.11 -1.87 0.15 132.00 128.91 1b93 h PRO 35 Ca 0.29 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1b93 h PRO 35 Cb 0.45 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1b93 h PRO 35 CO -0.59 0.60 -0.72 1.25 -0.21 0.00 0.00 178.00 178.33 1b93 h LEU 36 N 0.94 0.66 -1.61 2.35 5.85 -1.72 -3.27 115.31 118.51 1b93 h LEU 36 Ca 0.47 -0.74 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1b93 h LEU 36 Cb 0.49 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1b93 h LEU 36 CO -0.23 1.31 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.04 1b93 h LEU 37 N 0.07 0.15 -2.45 2.25 3.38 -0.55 -1.76 115.31 116.41 1b93 h LEU 37 Ca -0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1b93 h LEU 37 Cb 1.40 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1b93 h LEU 37 CO 0.14 0.25 -0.01 -0.33 0.09 0.00 0.00 178.44 178.58 1b93 h GLU 38 N 0.16 0.00 0.00 1.13 4.39 -1.03 -1.51 114.58 117.72 1b93 h GLU 38 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1b93 h GLU 38 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1b93 h GLU 38 CO 0.01 0.01 -0.09 1.96 -1.16 0.00 0.00 179.01 179.74 1b93 h GLN 39 N 0.00 0.00 -6.65 2.33 1.08 -1.45 -3.46 115.11 106.96 1b93 h GLN 39 Ca -0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 1b93 h GLN 39 Cb 0.03 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1b93 h GLN 39 CO 0.00 0.09 -0.10 -1.01 -0.95 0.00 0.00 178.83 176.87 1b93 s HIS 40 N -3.42 1.39 -0.32 2.96 3.76 -0.57 -4.87 115.29 114.21 1b93 s HIS 40 Ca 0.03 -0.73 -0.14 0.00 -0.15 0.00 0.00 55.06 54.08 1b93 s HIS 40 Cb 0.08 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 1b93 s HIS 40 CO 0.63 -1.17 0.32 0.08 -0.85 0.00 0.00 174.74 173.75 1b93 s VAL 41 N -2.67 5.21 -0.12 -0.90 1.01 -0.31 -4.99 120.40 117.62 1b93 s VAL 41 Ca 0.62 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 1b93 s VAL 41 Cb -0.06 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1b93 s VAL 41 CO 0.39 0.01 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1b93 s LEU 42 N 1.94 3.94 0.06 3.92 1.43 -1.26 -0.33 118.68 128.37 1b93 s LEU 42 Ca 0.11 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1b93 s LEU 42 Cb -0.16 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1b93 s LEU 42 CO 0.11 0.34 -0.12 -0.31 0.23 0.00 0.00 176.35 176.60 1b93 s TYR 43 N -0.64 1.03 0.06 0.29 1.51 0.32 -0.72 117.35 119.21 1b93 s TYR 43 Ca 0.11 -0.47 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 1b93 s TYR 43 Cb -0.12 -0.59 0.06 0.00 -0.11 0.00 0.00 41.96 41.20 1b93 s TYR 43 CO 0.02 0.01 0.55 0.00 -1.11 0.00 0.00 175.55 175.03 1b93 s ALA 44 N -1.31 -1.43 0.48 3.71 0.00 -0.80 -0.16 121.76 122.26 1b93 s ALA 44 Ca -0.05 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 1b93 s ALA 44 Cb -0.10 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.39 1b93 s ALA 44 CO 0.02 -0.55 1.01 0.95 0.00 0.00 0.00 175.76 177.18 1b93 s THR 45 N -2.62 4.06 0.00 0.00 -4.23 -1.20 -0.66 115.64 110.99 1b93 s THR 45 Ca -0.04 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 1b93 s THR 45 Cb -0.00 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1b93 s THR 45 CO -0.03 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1b93 n GLY 46 N -0.59 0.00 0.05 3.99 0.00 0.13 -1.59 105.19 107.19 1b93 n GLY 46 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1b93 n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b93 h THR 47 N 0.00 1.13 -0.19 2.61 2.02 -1.88 -3.09 112.91 113.50 1b93 h THR 47 Ca 0.00 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1b93 h THR 47 Cb 0.00 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 1b93 h THR 47 CO 0.00 0.10 -0.32 0.74 0.37 0.00 0.00 175.52 176.41 1b93 h THR 48 N -0.12 0.27 -0.61 3.16 2.02 -1.69 -2.07 112.91 113.86 1b93 h THR 48 Ca 0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1b93 h THR 48 Cb 0.16 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 1b93 h THR 48 CO -0.00 0.00 0.26 1.23 0.37 0.00 0.00 175.52 177.38 1b93 h GLY 49 N -0.36 0.87 1.36 2.16 0.00 -1.33 -1.90 103.07 103.87 1b93 h GLY 49 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1b93 h GLY 49 CO -0.40 0.03 0.00 3.43 0.00 0.00 0.00 176.54 179.60 1b93 h ASN 50 N 0.47 0.74 -0.42 0.19 2.35 -1.39 -0.83 115.58 116.69 1b93 h ASN 50 Ca 0.30 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1b93 h ASN 50 Cb 0.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1b93 h ASN 50 CO -0.27 0.81 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.95 1b93 h LEU 51 N 0.73 1.00 0.27 1.61 3.38 -0.97 -0.85 115.31 120.49 1b93 h LEU 51 Ca 0.14 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1b93 h LEU 51 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1b93 h LEU 51 CO 0.02 1.23 -0.13 0.40 0.09 0.00 0.00 178.44 180.04 1b93 h ILE 52 N 0.79 0.77 -0.41 1.22 2.04 -1.12 -1.29 117.51 119.51 1b93 h ILE 52 Ca 0.08 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1b93 h ILE 52 Cb 0.90 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1b93 h ILE 52 CO 0.08 0.06 0.03 -1.28 0.00 0.00 0.00 178.15 177.05 1b93 h SER 53 N -0.52 -0.11 -0.77 1.72 0.87 -1.12 0.06 113.55 113.68 1b93 h SER 53 Ca -0.04 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1b93 h SER 53 Cb 0.39 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1b93 h SER 53 CO 0.06 -0.02 0.51 0.03 -0.53 0.00 0.00 176.83 176.88 1b93 h ARG 54 N 0.14 1.01 0.09 2.24 -0.00 -1.04 0.92 114.38 117.75 1b93 h ARG 54 Ca 0.20 -0.06 -0.26 0.00 -0.50 0.00 0.00 59.98 59.36 1b93 h ARG 54 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1b93 h ARG 54 CO -0.31 0.67 -1.14 0.00 0.00 0.00 0.00 179.97 179.20 1b93 h ALA 55 N 1.28 0.20 -0.00 0.04 0.00 -0.73 -3.38 119.26 116.66 1b93 h ALA 55 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1b93 h ALA 55 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1b93 h ALA 55 CO -0.06 0.92 -0.45 0.25 0.00 0.00 0.00 179.25 179.91 1b93 n THR 56 N -3.60 0.00 -0.96 0.00 -2.24 -0.04 -4.98 114.28 102.46 1b93 n THR 56 Ca -0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1b93 n THR 56 Cb 0.96 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 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 1.18 0.33 3.84 3.38 0.00 0.32 -4.99 105.19 109.25 1b93 n GLY 57 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.81 3.74 -0.17 1.61 1.00 -1.25 -5.03 119.30 118.39 1b93 s MET 58 Ca 0.00 0.95 -0.24 0.00 0.00 0.00 0.00 55.69 56.40 1b93 s MET 58 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 34.83 32.71 1b93 s MET 58 CO 0.00 -0.45 0.78 -0.80 0.00 0.00 0.00 175.02 174.56 1b93 s ASN 59 N -3.28 6.89 -0.14 3.03 0.01 -1.26 -4.48 114.94 115.71 1b93 s ASN 59 Ca 0.59 1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.82 1b93 s ASN 59 Cb -0.11 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.16 1b93 s ASN 59 CO 0.38 -0.37 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.90 1b93 s VAL 60 N 2.08 0.71 -0.39 1.60 1.01 -1.26 -4.46 120.40 119.69 1b93 s VAL 60 Ca 0.36 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1b93 s VAL 60 Cb -0.16 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1b93 s VAL 60 CO 0.12 0.09 1.57 0.20 0.00 0.00 0.00 175.10 177.08 1b93 s ASN 61 N 1.81 6.13 0.15 3.32 0.01 0.10 -4.88 114.94 121.58 1b93 s ASN 61 Ca 0.02 0.97 -0.19 0.00 -0.71 0.00 0.00 52.86 52.96 1b93 s ASN 61 Cb -0.15 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 38.91 1b93 s ASN 61 CO -0.07 -1.57 0.63 0.00 -1.51 0.00 0.00 177.10 174.58 1b93 s ALA 62 N 6.09 3.52 0.47 0.60 0.00 -1.26 -1.90 121.76 129.28 1b93 s ALA 62 Ca 0.68 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1b93 s ALA 62 Cb -0.17 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1b93 s ALA 62 CO 0.33 0.38 0.20 -1.33 0.00 0.00 0.00 175.76 175.34 1b93 n MET 63 N 1.14 0.82 -1.06 0.00 0.00 0.16 -4.93 117.12 113.26 1b93 n MET 63 Ca -0.06 -3.18 -0.31 0.00 0.00 0.00 0.00 57.70 54.15 1b93 n MET 63 Cb 0.51 0.58 0.13 0.00 0.00 0.00 0.00 33.22 34.44 1b93 n MET 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1b93 s LEU 64 N 0.00 2.65 0.59 4.03 1.43 -1.26 0.22 118.68 126.35 1b93 s LEU 64 Ca 0.15 1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 54.87 1b93 s LEU 64 Cb -0.01 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1b93 s LEU 64 CO 0.10 -2.59 1.30 -0.55 0.23 0.00 0.00 176.35 174.84 1b93 s SER 65 N -3.17 5.03 0.16 2.29 0.15 -1.26 -1.38 113.70 115.52 1b93 s SER 65 Ca 0.64 2.62 -0.26 0.00 0.70 0.00 0.00 55.95 59.65 1b93 s SER 65 Cb -0.19 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.52 1b93 s SER 65 CO 0.57 -1.72 1.58 1.23 1.20 0.00 0.00 173.24 176.10 1b93 h GLY 66 N 1.03 -0.48 2.00 9.45 0.00 -1.91 -0.14 103.07 113.02 1b93 h GLY 66 Ca -0.51 0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1b93 h GLY 66 CO 0.55 -0.18 -0.01 -2.55 0.00 0.00 0.00 176.54 174.35 1b93 h PRO 67 N -0.30 0.00 -0.02 4.80 0.11 -1.96 -1.85 132.00 132.79 1b93 h PRO 67 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1b93 h PRO 67 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1b93 h PRO 67 CO -0.59 0.01 0.00 -1.33 -0.21 0.00 0.00 178.00 175.88 1b93 n MET 68 N -3.79 1.81 0.00 1.05 2.81 -0.57 -4.91 117.12 113.52 1b93 n MET 68 Ca -0.03 -1.18 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 1b93 n MET 68 Cb 0.09 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.21 1.00 0.36 3.03 0.00 -0.70 -4.87 105.19 105.23 1b93 n GLY 69 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.89 1.28 -0.02 0.00 -1.02 -1.86 103.07 102.34 1b93 h GLY 70 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1b93 h GLY 70 CO 0.00 0.14 -0.05 -0.55 0.00 0.00 0.00 176.54 176.08 1b93 h ASP 71 N 0.62 0.84 0.58 0.19 5.19 -1.80 -1.54 116.42 120.51 1b93 h ASP 71 Ca 0.35 -0.24 -0.14 0.00 -0.62 0.00 0.00 57.03 56.38 1b93 h ASP 71 Cb 0.52 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1b93 h ASP 71 CO -0.12 0.94 -0.65 1.56 -3.12 0.00 0.00 179.24 177.84 1b93 h GLN 72 N 0.79 0.06 -0.52 3.56 4.20 -1.68 0.10 115.11 121.63 1b93 h GLN 72 Ca 0.14 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1b93 h GLN 72 Cb 0.54 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1b93 h GLN 72 CO 0.03 0.69 -0.03 1.96 -0.67 0.00 0.00 178.83 180.82 1b93 h GLN 73 N 0.04 0.93 -0.42 1.46 4.20 -1.04 0.12 115.11 120.41 1b93 h GLN 73 Ca -0.01 -0.31 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 1b93 h GLN 73 Cb 1.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1b93 h GLN 73 CO 0.09 0.96 -0.21 0.28 -0.67 0.00 0.00 178.83 179.28 1b93 h VAL 74 N 0.80 1.28 -0.69 -0.54 2.07 -1.07 -2.22 116.25 115.88 1b93 h VAL 74 Ca 0.14 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1b93 h VAL 74 Cb 0.56 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1b93 h VAL 74 CO 0.03 0.46 0.43 1.23 0.02 0.00 0.00 177.57 179.74 1b93 h GLY 75 N 0.70 0.98 1.00 2.17 0.00 -0.45 -1.49 103.07 105.97 1b93 h GLY 75 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1b93 h GLY 75 CO 0.06 0.38 0.34 0.00 0.00 0.00 0.00 176.54 177.33 1b93 h ALA 76 N 1.23 0.80 -0.69 3.60 0.00 -0.65 -2.08 119.26 121.47 1b93 h ALA 76 Ca 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1b93 h ALA 76 Cb -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1b93 h ALA 76 CO -0.05 0.31 0.25 -0.07 0.00 0.00 0.00 179.25 179.69 1b93 h LEU 77 N 0.84 0.95 -0.36 0.00 3.38 -0.98 -1.72 115.31 117.43 1b93 h LEU 77 Ca 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1b93 h LEU 77 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1b93 h LEU 77 CO -0.04 0.86 0.16 0.40 0.09 0.00 0.00 178.44 179.92 1b93 h ILE 78 N 1.00 1.17 0.00 1.22 2.04 -0.95 0.77 117.51 122.77 1b93 h ILE 78 Ca 0.23 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1b93 h ILE 78 Cb 0.22 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1b93 h ILE 78 CO -0.02 0.18 -0.13 0.77 0.00 0.00 0.00 178.15 178.96 1b93 h SER 79 N 0.44 0.00 -0.20 1.72 4.64 -1.05 -1.57 113.55 117.52 1b93 h SER 79 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b93 h SER 79 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1b93 h SER 79 CO -0.01 0.13 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 1b93 n GLU 80 N -3.70 1.92 -1.47 4.77 1.02 -0.68 -4.93 120.64 117.58 1b93 n GLU 80 Ca -0.02 -1.39 -0.07 0.00 -0.02 0.00 0.00 57.16 55.66 1b93 n GLU 80 Cb 0.25 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.22 0.71 0.45 0.62 0.00 -0.59 -4.93 105.19 102.68 1b93 n GLY 81 Ca 0.17 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.49 1.11 -4.92 1.61 5.02 0.22 -4.86 118.16 113.85 1b93 n LYS 82 Ca -0.08 -0.91 -0.28 0.00 -2.02 0.00 0.00 58.31 55.02 1b93 n LYS 82 Cb 0.33 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.52 1.60 -0.04 -0.18 -1.09 -1.21 -4.77 121.20 112.98 1b93 s ILE 83 Ca 0.18 -0.76 0.13 0.00 -2.23 0.00 0.00 60.65 57.97 1b93 s ILE 83 Cb 0.18 -1.41 -0.20 0.00 -1.58 0.00 0.00 42.46 39.45 1b93 s ILE 83 CO 0.60 0.46 0.24 0.47 -1.23 0.00 0.00 174.94 175.48 1b93 n ASP 84 N 3.56 1.86 -3.80 3.58 8.00 0.10 -4.72 116.55 125.13 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 1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 42.92 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 -2.80 -0.02 -0.16 2.53 1.01 -0.92 -3.75 120.40 116.28 1b93 s VAL 85 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1b93 s VAL 85 Cb 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1b93 s VAL 85 CO 0.56 0.03 -0.19 -0.22 0.00 0.00 0.00 175.10 175.28 1b93 s LEU 86 N 0.52 2.04 -0.42 3.92 2.96 -0.54 -0.96 118.68 126.20 1b93 s LEU 86 Ca -0.04 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1b93 s LEU 86 Cb -0.05 -1.41 0.10 0.00 0.50 0.00 0.00 46.19 45.33 1b93 s LEU 86 CO -0.02 0.01 0.23 -0.63 -1.32 0.00 0.00 176.35 174.62 1b93 s ILE 87 N 1.18 3.62 -0.42 6.68 -1.09 0.13 -1.28 121.20 130.02 1b93 s ILE 87 Ca 0.01 -1.85 0.04 0.00 -2.23 0.00 0.00 60.65 56.62 1b93 s ILE 87 Cb -0.14 -3.39 0.11 0.00 -1.58 0.00 0.00 42.46 37.46 1b93 s ILE 87 CO -0.09 -0.64 0.14 0.12 -1.23 0.00 0.00 174.94 173.24 1b93 s PHE 88 N 1.24 3.51 -1.21 3.97 5.36 0.04 -0.36 117.98 130.53 1b93 s PHE 88 Ca 0.06 -3.08 -0.14 0.00 -0.96 0.00 0.00 56.93 52.81 1b93 s PHE 88 Cb -0.23 -2.89 0.16 0.00 -0.34 0.00 0.00 43.02 39.72 1b93 s PHE 88 CO -0.02 -0.86 1.45 -0.06 -1.46 0.00 0.00 175.22 174.27 1b93 s PHE 89 N 0.37 3.46 0.55 10.12 0.08 0.61 -4.11 117.98 129.06 1b93 s PHE 89 Ca 0.14 -2.11 -0.11 0.00 0.12 0.00 0.00 56.93 54.97 1b93 s PHE 89 Cb -0.22 -4.34 -0.05 0.00 -0.57 0.00 0.00 43.02 37.84 1b93 s PHE 89 CO -0.04 -1.42 0.94 1.67 -0.10 0.00 0.00 175.22 176.27 1b93 s TRP 90 N 1.73 3.56 -0.47 0.36 1.48 -1.26 -1.93 118.94 122.41 1b93 s TRP 90 Ca 0.43 1.21 -0.23 0.00 -1.06 0.00 0.00 56.10 56.45 1b93 s TRP 90 Cb -0.02 -2.62 0.03 0.00 -1.16 0.00 0.00 33.47 29.70 1b93 s TRP 90 CO 0.01 -0.47 0.79 0.34 -4.06 0.00 0.00 176.95 173.55 1b93 s ASP 91 N -3.81 6.37 0.00 -2.66 -1.08 -1.26 -4.89 116.67 109.34 1b93 s ASP 91 Ca 0.54 -0.24 0.31 0.00 -0.52 0.00 0.00 52.55 52.63 1b93 s ASP 91 Cb -0.11 -2.38 1.63 0.00 -1.46 0.00 0.00 42.92 40.61 1b93 s ASP 91 CO 0.45 -0.96 2.09 -0.81 0.52 0.00 0.00 175.17 176.46 1b93 n PRO 92 N 6.77 0.88 -0.13 4.34 -0.04 -1.26 -3.64 135.00 141.91 1b93 n PRO 92 Ca 0.01 -0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1b93 n PRO 92 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.95 2.61 -3.76 1.53 4.77 -1.26 -4.99 117.00 114.94 1b93 n LEU 93 Ca 0.20 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 53.32 1b93 n LEU 93 Cb 0.19 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1b93 n LEU 93 CO 0.20 0.66 -0.08 0.20 -1.33 0.00 0.00 177.39 177.04 1b93 s ASN 94 N -2.11 -0.28 -0.08 -1.43 0.01 -1.24 -5.13 114.94 104.68 1b93 s ASN 94 Ca 0.26 0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 52.66 1b93 s ASN 94 Cb 0.21 0.52 -0.02 0.00 0.41 0.00 0.00 41.25 42.37 1b93 s ASN 94 CO 0.04 -0.12 0.99 0.00 -1.51 0.00 0.00 177.10 176.51 1b93 s ALA 95 N 0.49 3.34 -0.02 0.60 0.00 -1.26 -4.87 121.76 120.04 1b93 s ALA 95 Ca -0.03 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1b93 s ALA 95 Cb -0.04 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1b93 s ALA 95 CO -0.03 -0.49 -0.10 0.14 0.00 0.00 0.00 175.76 175.29 1b93 s VAL 96 N 1.71 3.44 0.39 0.00 -7.23 -1.26 -5.03 120.40 112.42 1b93 s VAL 96 Ca 0.49 -0.76 0.06 0.00 -1.81 0.00 0.00 61.98 59.97 1b93 s VAL 96 Cb -0.19 -2.45 0.22 0.00 0.56 0.00 0.00 36.38 34.53 1b93 s VAL 96 CO 0.21 0.47 1.99 1.55 -0.31 0.00 0.00 175.10 179.00 1b93 h PRO 97 N 4.83 0.50 -1.12 4.82 0.13 -2.03 -2.72 132.00 136.40 1b93 h PRO 97 Ca -0.48 -0.06 -0.40 0.00 -0.87 0.00 0.00 66.00 64.19 1b93 h PRO 97 Cb 1.16 -0.10 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 1b93 h PRO 97 CO 0.52 0.42 0.51 -2.39 -0.23 0.00 0.00 178.00 176.83 1b93 n HIS 98 N -4.40 2.16 -0.33 1.56 1.44 -1.26 -4.57 115.22 109.82 1b93 n HIS 98 Ca 0.02 -1.81 0.09 0.00 -2.01 0.00 0.00 57.72 54.01 1b93 n HIS 98 Cb 0.14 -0.90 0.29 0.00 0.12 0.00 0.00 29.99 29.63 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 1.08 0.84 -0.81 4.39 3.58 -1.91 -0.98 116.42 122.61 1b93 h ASP 99 Ca 0.43 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.95 1b93 h ASP 99 Cb 1.73 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.61 1b93 h ASP 99 CO 0.89 0.44 0.53 -0.65 -2.88 0.00 0.00 179.24 177.57 1b93 h PRO 100 N 0.89 1.02 -0.91 0.28 0.11 -1.88 -0.87 132.00 130.63 1b93 h PRO 100 Ca 0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1b93 h PRO 100 Cb 0.57 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 1b93 h PRO 100 CO -0.25 0.67 0.58 -0.44 -0.21 0.00 0.00 178.00 178.36 1b93 h ASP 101 N 1.05 1.07 -0.08 -2.05 5.19 -1.57 0.37 116.42 120.40 1b93 h ASP 101 Ca 0.31 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1b93 h ASP 101 Cb -0.06 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.18 1b93 h ASP 101 CO -0.09 0.79 0.03 0.58 -3.12 0.00 0.00 179.24 177.44 1b93 h VAL 102 N 1.25 1.13 -0.38 -1.35 2.07 -0.72 -0.99 116.25 117.26 1b93 h VAL 102 Ca 0.33 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1b93 h VAL 102 Cb -0.11 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1b93 h VAL 102 CO -0.07 0.12 -0.12 0.11 0.02 0.00 0.00 177.57 177.63 1b93 h LYS 103 N -0.01 0.66 -0.56 1.57 6.56 -0.94 -2.25 116.57 121.60 1b93 h LYS 103 Ca 0.03 -0.21 -0.09 0.00 -1.06 0.00 0.00 60.65 59.31 1b93 h LYS 103 Cb 0.15 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1b93 h LYS 103 CO -0.00 0.77 -0.01 0.00 -2.06 0.00 0.00 179.45 178.15 1b93 h ALA 104 N 1.26 0.76 -0.35 3.86 0.00 -0.74 -0.14 119.26 123.91 1b93 h ALA 104 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1b93 h ALA 104 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1b93 h ALA 104 CO 0.03 0.59 0.14 1.25 0.00 0.00 0.00 179.25 181.26 1b93 h LEU 105 N 0.88 0.48 -1.11 0.00 5.85 -0.98 -1.02 115.31 119.41 1b93 h LEU 105 Ca 0.16 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1b93 h LEU 105 Cb 0.55 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1b93 h LEU 105 CO 0.03 0.52 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.32 1b93 h LEU 106 N 0.42 0.30 -0.39 2.25 3.38 -1.27 -1.46 115.31 118.54 1b93 h LEU 106 Ca 0.12 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1b93 h LEU 106 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1b93 h LEU 106 CO -0.01 0.57 0.05 -0.09 0.09 0.00 0.00 178.44 179.05 1b93 h ARG 107 N 0.27 0.66 -0.50 1.13 2.43 -0.63 -2.26 114.38 115.47 1b93 h ARG 107 Ca 0.04 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1b93 h ARG 107 Cb 0.61 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1b93 h ARG 107 CO 0.04 0.72 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.04 1b93 h LEU 108 N 0.50 0.93 -1.38 3.80 3.38 -0.89 -1.12 115.31 120.52 1b93 h LEU 108 Ca 0.12 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1b93 h LEU 108 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1b93 h LEU 108 CO 0.01 1.05 -0.22 0.00 0.09 0.00 0.00 178.44 179.37 1b93 h ALA 109 N 1.03 1.49 -0.03 1.53 0.00 -1.18 -1.08 119.26 121.01 1b93 h ALA 109 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1b93 h ALA 109 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1b93 h ALA 109 CO 0.04 0.37 -0.07 1.15 0.00 0.00 0.00 179.25 180.74 1b93 h THR 110 N 0.13 1.45 -0.48 0.00 2.02 -1.06 -2.91 112.91 112.06 1b93 h THR 110 Ca 0.02 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 65.82 1b93 h THR 110 Cb 0.46 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 1b93 h THR 110 CO 0.03 0.39 0.22 0.58 0.37 0.00 0.00 175.52 177.11 1b93 h VAL 111 N -0.44 0.92 -0.13 3.16 2.07 -0.97 -2.64 116.25 118.23 1b93 h VAL 111 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1b93 h VAL 111 Cb 0.66 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1b93 h VAL 111 CO 0.02 0.08 0.00 0.79 0.02 0.00 0.00 177.57 178.48 1b93 n TRP 112 N -4.93 0.17 -3.86 1.57 7.02 -0.43 -4.55 117.44 112.43 1b93 n TRP 112 Ca 0.04 -0.09 -0.25 0.00 -1.02 0.00 0.00 57.50 56.18 1b93 n TRP 112 Cb 0.15 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.04 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 -0.09 -1.59 -4.78 -0.99 5.15 -0.99 -4.84 115.26 107.12 1b93 n ASN 113 Ca 0.11 -0.89 -0.28 0.00 -0.60 0.00 0.00 54.58 52.92 1b93 n ASN 113 Cb 0.19 -3.58 -0.06 0.00 -0.53 0.00 0.00 39.78 35.80 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 -3.69 4.46 0.16 -1.44 -4.36 -1.14 -4.85 121.20 110.34 1b93 s ILE 114 Ca 0.16 -0.96 -0.32 0.00 -0.26 0.00 0.00 60.65 59.27 1b93 s ILE 114 Cb -0.08 -3.22 -0.11 0.00 1.25 0.00 0.00 42.46 40.29 1b93 s ILE 114 CO 0.85 -0.01 1.78 -2.65 0.24 0.00 0.00 174.94 175.16 1b93 n PRO 115 N 0.02 2.77 -4.49 0.37 -0.02 -1.25 -4.85 135.00 127.55 1b93 n PRO 115 Ca -0.09 1.01 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 1b93 n PRO 115 Cb 0.53 -2.88 -0.16 0.00 -0.02 0.00 0.00 33.50 30.98 1b93 n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1b93 s VAL 116 N 2.01 0.95 -0.08 -1.45 1.01 -1.26 -1.47 120.40 120.12 1b93 s VAL 116 Ca 0.79 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1b93 s VAL 116 Cb -0.50 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1b93 s VAL 116 CO 0.35 0.29 -0.15 0.00 0.00 0.00 0.00 175.10 175.60 1b93 s ALA 117 N 0.30 1.48 -1.16 5.51 0.00 -0.41 -4.95 121.76 122.53 1b93 s ALA 117 Ca -0.06 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1b93 s ALA 117 Cb -0.11 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1b93 s ALA 117 CO 0.01 0.14 0.82 0.25 0.00 0.00 0.00 175.76 176.98 1b93 n THR 118 N 3.78 0.05 -3.97 0.00 -2.24 -1.26 -0.78 114.28 109.86 1b93 n THR 118 Ca -0.22 -0.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1b93 n THR 118 Cb 0.52 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.80 0.01 0.18 3.42 2.20 -1.26 -4.37 114.94 114.32 1b93 s ASN 119 Ca 0.11 -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 0.09 0.00 -2.00 0.00 0.00 41.25 39.89 1b93 s ASN 119 CO 0.12 -0.93 1.84 0.58 -2.94 0.00 0.00 177.10 175.77 1b93 h VAL 120 N 2.49 1.13 -0.58 3.54 2.07 -1.96 -2.08 116.25 120.86 1b93 h VAL 120 Ca -0.31 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1b93 h VAL 120 Cb 1.23 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1b93 h VAL 120 CO 0.46 0.14 0.25 0.00 0.02 0.00 0.00 177.57 178.44 1b93 h ALA 121 N 1.22 0.75 -0.42 1.67 0.00 -1.99 0.92 119.26 121.41 1b93 h ALA 121 Ca 0.22 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1b93 h ALA 121 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b93 h ALA 121 CO -0.06 -0.13 -0.24 1.15 0.00 0.00 0.00 179.25 179.97 1b93 h THR 122 N 0.47 1.28 -0.60 0.00 2.02 -1.94 -2.35 112.91 111.78 1b93 h THR 122 Ca 0.28 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1b93 h THR 122 Cb 0.28 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1b93 h THR 122 CO -0.24 0.47 0.39 0.00 0.37 0.00 0.00 175.52 176.50 1b93 h ALA 123 N 0.82 0.76 -0.52 6.16 0.00 -0.73 -1.28 119.26 124.47 1b93 h ALA 123 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1b93 h ALA 123 Cb 0.81 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1b93 h ALA 123 CO 0.07 0.21 0.14 -0.44 0.00 0.00 0.00 179.25 179.23 1b93 h ASP 124 N 0.81 0.78 -0.89 0.00 3.32 -0.77 -1.12 116.42 118.55 1b93 h ASP 124 Ca 0.22 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1b93 h ASP 124 Cb -0.07 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1b93 h ASP 124 CO -0.05 0.80 0.49 -0.26 -1.72 0.00 0.00 179.24 178.50 1b93 h PHE 125 N 0.72 1.21 -0.00 4.55 -1.00 -1.10 -1.69 116.94 119.63 1b93 h PHE 125 Ca 0.17 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 1b93 h PHE 125 Cb 0.31 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1b93 h PHE 125 CO 0.02 0.84 -0.00 0.82 -1.61 0.00 0.00 178.31 178.37 1b93 h ILE 126 N 1.24 1.38 0.00 -0.55 2.04 -0.99 -2.81 117.51 117.82 1b93 h ILE 126 Ca 0.31 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1b93 h ILE 126 Cb 0.02 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1b93 h ILE 126 CO -0.05 0.29 -0.08 -0.29 0.00 0.00 0.00 178.15 178.03 1b93 h ILE 127 N -0.47 0.26 -0.00 -0.67 2.10 -1.13 -1.54 117.51 116.06 1b93 h ILE 127 Ca 0.00 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.38 1b93 h ILE 127 Cb 0.48 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1b93 h ILE 127 CO 0.00 0.08 -0.36 0.00 -1.08 0.00 0.00 178.15 176.79 1b93 n GLN 128 N -3.29 0.45 -1.98 2.19 6.02 -0.64 -4.88 117.38 115.25 1b93 n GLN 128 Ca -0.01 -0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.32 1b93 n GLN 128 Cb 0.28 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.73 6.54 0.20 1.08 0.15 -0.58 -4.92 113.70 113.44 1b93 s SER 129 Ca 0.18 2.84 -0.11 0.00 0.70 0.00 0.00 55.95 59.56 1b93 s SER 129 Cb 0.18 -2.66 0.26 0.00 -1.71 0.00 0.00 66.02 62.10 1b93 s SER 129 CO 0.60 -0.71 1.68 1.55 1.20 0.00 0.00 173.24 177.56 1b93 h PRO 130 N 3.14 0.16 -0.38 5.44 0.13 -1.91 -2.29 132.00 136.29 1b93 h PRO 130 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1b93 h PRO 130 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b93 h PRO 130 CO 0.65 0.11 0.00 0.72 -0.23 0.00 0.00 178.00 179.24 1b93 n HIS 131 N -5.21 0.11 0.22 1.56 8.25 -1.26 -3.98 115.22 114.91 1b93 n HIS 131 Ca 0.08 -0.04 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1b93 n HIS 131 Cb 0.32 -0.05 0.50 0.00 1.12 0.00 0.00 29.99 31.88 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 0.32 0.00 -0.46 4.41 3.57 -1.70 -2.30 116.94 120.78 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 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1b93 h PHE 132 CO 0.05 0.22 0.00 0.09 -2.23 0.00 0.00 178.31 176.45 1b93 n ASN 133 N -4.14 3.41 -4.81 0.41 3.02 -1.26 -4.75 115.26 107.15 1b93 n ASN 133 Ca -0.02 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.35 1b93 n ASN 133 Cb 0.29 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 1b93 n ASN 133 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1b93 s ASP 134 N -1.19 5.39 0.06 6.41 1.01 -0.87 -4.64 116.67 122.84 1b93 s ASP 134 Ca 0.37 -0.33 -0.30 0.00 0.71 0.00 0.00 52.55 53.00 1b93 s ASP 134 Cb 0.21 -1.28 -0.05 0.00 1.01 0.00 0.00 42.92 42.81 1b93 s ASP 134 CO 0.28 -0.09 1.01 0.00 0.21 0.00 0.00 175.17 176.58 1b93 s ALA 135 N -2.18 3.24 -0.01 5.23 0.00 -1.26 -4.22 121.76 122.55 1b93 s ALA 135 Ca 0.34 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1b93 s ALA 135 Cb -0.07 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1b93 s ALA 135 CO 0.25 -0.18 -0.01 0.54 0.00 0.00 0.00 175.76 176.35 1b93 s VAL 136 N 0.54 0.16 0.07 0.00 0.11 -0.89 -4.95 120.40 115.45 1b93 s VAL 136 Ca 0.51 -0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 59.27 1b93 s VAL 136 Cb -0.24 -0.17 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 1b93 s VAL 136 CO 0.29 0.07 0.76 -1.81 -3.33 0.00 0.00 175.10 171.08 1b93 s ASP 137 N 0.23 7.24 0.15 3.54 1.01 -1.26 -0.93 116.67 126.66 1b93 s ASP 137 Ca -0.02 1.48 0.07 0.00 0.71 0.00 0.00 52.55 54.80 1b93 s ASP 137 Cb -0.04 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1b93 s ASP 137 CO -0.01 0.07 -0.16 0.27 0.21 0.00 0.00 175.17 175.55 1b93 s ILE 138 N -0.34 1.60 -0.02 0.77 -4.36 -0.26 -4.97 121.20 113.63 1b93 s ILE 138 Ca 0.37 -1.86 -0.19 0.00 -0.26 0.00 0.00 60.65 58.71 1b93 s ILE 138 Cb -0.21 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 41.71 1b93 s ILE 138 CO 0.23 -0.39 0.56 -0.76 0.24 0.00 0.00 174.94 174.83 1b93 s LEU 139 N -2.64 4.41 0.09 0.37 1.43 -1.26 -1.62 118.68 119.45 1b93 s LEU 139 Ca 0.13 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1b93 s LEU 139 Cb -0.05 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1b93 s LEU 139 CO 0.05 0.12 -0.08 0.27 0.23 0.00 0.00 176.35 176.94 1b93 s ILE 140 N -0.21 0.74 0.43 -0.59 -4.36 0.39 -4.66 121.20 112.94 1b93 s ILE 140 Ca 0.29 -1.69 -0.26 0.00 -0.26 0.00 0.00 60.65 58.74 1b93 s ILE 140 Cb -0.18 -1.38 -0.09 0.00 1.25 0.00 0.00 42.46 42.06 1b93 s ILE 140 CO 0.16 -0.69 1.46 -2.84 0.24 0.00 0.00 174.94 173.27 1b93 s PRO 141 N -3.10 3.81 -0.80 0.37 0.02 -1.26 -0.60 135.00 133.44 1b93 s PRO 141 Ca 0.06 2.49 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 1b93 s PRO 141 Cb -0.00 -2.76 0.09 0.00 0.02 0.00 0.00 34.50 31.85 1b93 s PRO 141 CO -0.02 -0.74 1.09 0.34 -0.33 0.00 0.00 177.00 177.33 1b93 s ASP 142 N -0.36 6.37 0.22 2.53 -1.08 0.69 -4.64 116.67 120.40 1b93 s ASP 142 Ca 0.58 -1.39 -0.08 0.00 -0.52 0.00 0.00 52.55 51.15 1b93 s ASP 142 Cb -0.45 -2.44 0.25 0.00 -1.46 0.00 0.00 42.92 38.83 1b93 s ASP 142 CO 0.59 -1.34 1.84 0.22 0.52 0.00 0.00 175.17 177.01 1b93 h TYR 143 N 9.36 0.86 -0.36 -5.34 3.20 -1.90 -1.39 116.97 121.40 1b93 h TYR 143 Ca -0.08 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.89 1b93 h TYR 143 Cb 1.05 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 1b93 h TYR 143 CO 1.08 0.45 -0.06 1.96 -1.64 0.00 0.00 178.16 179.96 1b93 h GLN 144 N 0.87 0.03 -0.62 1.82 7.50 -1.99 0.21 115.11 122.94 1b93 h GLN 144 Ca 0.32 -0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.39 1b93 h GLN 144 Cb 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1b93 h GLN 144 CO -0.15 0.02 0.09 0.07 -1.50 0.00 0.00 178.83 177.36 1b93 h ARG 145 N 0.03 1.03 -0.81 1.46 -0.00 -1.90 -2.05 114.38 112.15 1b93 h ARG 145 Ca 0.17 -0.28 0.02 0.00 -0.00 0.00 0.00 59.98 59.88 1b93 h ARG 145 Cb 0.26 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.97 30.07 1b93 h ARG 145 CO -0.34 0.97 0.53 -0.92 -0.00 0.00 0.00 179.97 180.21 1b93 h TYR 146 N 0.94 1.00 0.01 4.08 5.03 -0.20 -2.55 116.97 125.27 1b93 h TYR 146 Ca 0.19 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1b93 h TYR 146 Cb 0.45 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.39 1b93 h TYR 146 CO 0.03 0.61 -0.00 1.25 -1.32 0.00 0.00 178.16 178.73 1b93 h LEU 147 N 1.06 -0.01 -0.85 2.82 5.85 -0.48 -3.14 115.31 120.57 1b93 h LEU 147 Ca 0.30 -0.53 0.19 0.00 0.84 0.00 0.00 57.88 58.68 1b93 h LEU 147 Cb -0.08 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.84 1b93 h LEU 147 CO -0.08 0.53 0.36 0.00 -0.34 0.00 0.00 178.44 178.91 1b93 h ALA 148 N 0.44 1.28 0.00 1.25 0.00 -1.27 0.43 119.26 121.39 1b93 h ALA 148 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b93 h ALA 148 Cb 0.53 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1b93 h ALA 148 CO 0.00 -0.27 -0.01 -0.44 0.00 0.00 0.00 179.25 178.53 1b93 h ASP 149 N 0.44 0.00 1.26 0.00 3.32 -1.51 -2.29 116.42 117.63 1b93 h ASP 149 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1b93 h ASP 149 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1b93 h ASP 149 CO -0.47 0.01 -0.49 0.03 -1.72 0.00 0.00 179.24 176.60 1b93 h ARG 150 N 0.00 0.00 -0.02 3.56 3.08 -0.12 -3.52 114.38 117.36 1b93 h ARG 150 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b93 h ARG 150 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1b93 h ARG 150 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18