#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq8 h ALA 10 N 0.00 1.70 -0.00 -1.39 0.00 -2.04 0.21 119.26 117.73 1aq8 h ALA 10 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aq8 h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aq8 h ALA 10 CO 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 179.25 179.00 1aq8 n ALA 11 N -2.39 2.95 -1.77 0.00 0.00 -1.26 -4.90 120.51 113.15 1aq8 n ALA 11 Ca -0.03 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1aq8 n ALA 11 Cb 0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 1aq8 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aq8 s LEU 12 N -2.76 4.39 0.65 0.00 1.43 0.06 -5.00 118.68 117.45 1aq8 s LEU 12 Ca 0.19 2.28 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 1aq8 s LEU 12 Cb 0.19 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1aq8 s LEU 12 CO 0.56 -0.35 1.22 -2.16 0.23 0.00 0.00 176.35 175.85 1aq8 s PRO 13 N -1.85 2.64 0.16 1.29 0.04 -1.26 -4.69 135.00 131.32 1aq8 s PRO 13 Ca 0.50 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.47 1aq8 s PRO 13 Cb -0.31 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1aq8 s PRO 13 CO 0.39 -1.47 -0.23 1.03 0.04 0.00 0.00 177.00 176.76 1aq8 s ARG 14 N -3.55 1.38 -0.14 4.56 0.52 -1.26 -0.79 118.95 119.68 1aq8 s ARG 14 Ca 0.77 -1.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1aq8 s ARG 14 Cb -0.31 -1.70 0.06 0.00 0.52 0.00 0.00 34.95 33.53 1aq8 s ARG 14 CO 0.38 0.38 0.29 -1.14 0.02 0.00 0.00 175.30 175.23 1aq8 s GLN 15 N -2.42 0.19 -0.15 3.54 0.74 -0.86 -4.93 119.66 115.76 1aq8 s GLN 15 Ca 0.16 0.75 -0.25 0.00 0.05 0.00 0.00 55.36 56.07 1aq8 s GLN 15 Cb -0.08 -0.00 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 1aq8 s GLN 15 CO 0.07 -0.25 0.80 0.15 -0.55 0.00 0.00 175.29 175.51 1aq8 s LYS 16 N 2.20 4.31 -0.07 1.67 1.02 -1.26 -0.78 119.74 126.83 1aq8 s LYS 16 Ca -0.01 0.97 -0.02 0.00 0.02 0.00 0.00 55.97 56.93 1aq8 s LYS 16 Cb -0.12 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1aq8 s LYS 16 CO -0.09 -0.26 0.04 0.08 -0.92 0.00 0.00 175.35 174.19 1aq8 s VAL 17 N 1.92 4.56 -0.35 3.17 1.01 -0.59 -4.95 120.40 125.16 1aq8 s VAL 17 Ca 0.38 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1aq8 s VAL 17 Cb -0.17 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1aq8 s VAL 17 CO 0.13 0.55 0.49 -1.83 0.00 0.00 0.00 175.10 174.44 1aq8 s GLU 18 N -1.08 3.62 0.41 2.72 1.03 -1.26 -4.71 118.70 119.43 1aq8 s GLU 18 Ca 0.15 -0.19 -0.20 0.00 0.03 0.00 0.00 54.97 54.76 1aq8 s GLU 18 Cb -0.12 -3.80 -0.11 0.00 -0.80 0.00 0.00 34.13 29.30 1aq8 s GLU 18 CO 0.05 -0.61 0.91 -0.51 -1.33 0.00 0.00 175.26 173.77 1aq8 s LEU 19 N 2.32 3.96 0.12 1.83 1.43 -1.26 -4.63 118.68 122.46 1aq8 s LEU 19 Ca 0.18 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1aq8 s LEU 19 Cb -0.16 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 1aq8 s LEU 19 CO 0.13 -0.33 -0.17 0.68 0.23 0.00 0.00 176.35 176.89 1aq8 s VAL 20 N -2.15 1.51 0.34 -1.59 -7.23 -1.26 -5.00 120.40 105.02 1aq8 s VAL 20 Ca 0.61 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 1aq8 s VAL 20 Cb -0.09 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.21 1aq8 s VAL 20 CO 0.14 -0.28 1.19 -1.81 -0.31 0.00 0.00 175.10 174.03 1aq8 s ASP 21 N -2.28 6.83 0.82 4.85 -0.00 -1.26 -4.56 116.67 121.06 1aq8 s ASP 21 Ca 0.08 2.43 -0.12 0.00 -0.00 0.00 0.00 52.55 54.95 1aq8 s ASP 21 Cb -0.07 -2.63 0.09 0.00 -0.00 0.00 0.00 42.92 40.31 1aq8 s ASP 21 CO 0.04 -0.47 1.15 -2.84 -0.00 0.00 0.00 175.17 173.05 1aq8 s PRO 22 N -1.88 1.69 0.00 8.23 0.02 -1.26 -2.31 135.00 139.49 1aq8 s PRO 22 Ca 0.51 1.50 0.16 0.00 0.02 0.00 0.00 61.00 63.19 1aq8 s PRO 22 Cb -0.34 -1.81 0.96 0.00 0.02 0.00 0.00 34.50 33.34 1aq8 s PRO 22 CO 0.44 -2.12 1.54 -0.35 -0.33 0.00 0.00 177.00 176.18 1aq8 n PRO 23 N -3.59 0.89 -2.34 5.54 -0.04 -1.26 -5.07 135.00 129.13 1aq8 n PRO 23 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 1aq8 n PRO 23 Cb 0.52 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1aq8 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aq8 s PHE 24 N -2.00 3.22 0.00 0.54 0.40 -0.98 -0.61 117.98 118.56 1aq8 s PHE 24 Ca 0.24 1.51 0.08 0.00 -0.60 0.00 0.00 56.93 58.16 1aq8 s PHE 24 Cb 0.11 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 1aq8 s PHE 24 CO 0.19 -0.66 -0.25 0.08 0.70 0.00 0.00 175.22 175.28 1aq8 s VAL 25 N -2.44 1.99 0.82 -0.44 1.01 -1.26 -4.61 120.40 115.47 1aq8 s VAL 25 Ca 0.62 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1aq8 s VAL 25 Cb -0.13 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.67 1aq8 s VAL 25 CO 0.30 0.48 1.15 -1.38 0.00 0.00 0.00 175.10 175.65 1aq8 s HIS 26 N -0.66 2.01 0.30 5.22 -3.43 -1.26 -4.93 115.29 112.55 1aq8 s HIS 26 Ca 0.10 1.68 -0.29 0.00 -0.80 0.00 0.00 55.06 55.75 1aq8 s HIS 26 Cb -0.10 -3.29 -0.13 0.00 -1.43 0.00 0.00 32.58 27.63 1aq8 s HIS 26 CO 0.00 -2.45 1.26 0.00 -2.00 0.00 0.00 174.74 171.55 1aq8 n ALA 27 N -3.60 0.90 -3.75 -1.38 0.00 -1.26 -4.97 120.51 106.46 1aq8 n ALA 27 Ca 0.11 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 1aq8 n ALA 27 Cb 0.52 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1aq8 n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1aq8 s HIS 28 N -0.81 -0.11 -0.09 0.00 -3.43 -1.26 -4.99 115.29 104.61 1aq8 s HIS 28 Ca 0.60 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.70 1aq8 s HIS 28 Cb -0.62 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1aq8 s HIS 28 CO 0.58 -0.79 -0.19 0.45 -2.00 0.00 0.00 174.74 172.80 1aq8 s SER 29 N -2.97 3.53 0.17 7.38 0.15 -1.26 -5.02 113.70 115.68 1aq8 s SER 29 Ca 0.13 -0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 1aq8 s SER 29 Cb -0.01 -1.17 0.07 0.00 -1.71 0.00 0.00 66.02 63.20 1aq8 s SER 29 CO 0.02 0.22 1.73 1.56 1.20 0.00 0.00 173.24 177.98 1aq8 h GLN 30 N 6.24 0.85 -5.59 5.44 4.20 -1.97 -3.40 115.11 120.88 1aq8 h GLN 30 Ca -0.30 -0.15 -0.60 0.00 0.06 0.00 0.00 58.65 57.66 1aq8 h GLN 30 Cb 1.19 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.74 1aq8 h GLN 30 CO 0.50 0.72 -0.31 0.08 -0.67 0.00 0.00 178.83 179.15 1aq8 s VAL 31 N -5.60 5.28 0.24 -0.54 1.01 -1.26 -3.28 120.40 116.25 1aq8 s VAL 31 Ca -0.13 0.58 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1aq8 s VAL 31 Cb 0.13 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 1aq8 s VAL 31 CO 0.79 0.43 1.58 0.00 0.00 0.00 0.00 175.10 177.90 1aq8 n ALA 32 N 3.19 2.11 -3.27 5.51 0.00 0.65 -4.93 120.51 123.78 1aq8 n ALA 32 Ca -0.13 0.40 -0.46 0.00 0.00 0.00 0.00 53.44 53.25 1aq8 n ALA 32 Cb 0.52 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 1aq8 n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aq8 s GLU 33 N 0.11 3.55 0.00 0.00 2.02 -1.26 -4.95 118.70 118.17 1aq8 s GLU 33 Ca 0.70 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 53.39 1aq8 s GLU 33 Cb -0.56 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.19 1aq8 s GLU 33 CO 0.43 -1.36 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1aq8 n GLY 34 N 4.28 -2.78 3.72 -1.39 0.00 -1.26 -5.03 105.19 102.74 1aq8 n GLY 34 Ca 0.13 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 1aq8 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 35 N -0.04 -1.44 3.54 -0.02 0.00 -1.26 -4.98 105.19 100.98 1aq8 n GLY 35 Ca 0.00 -1.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 1aq8 n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aq8 n PRO 36 N -3.69 1.01 -3.99 1.61 -0.02 -1.26 -4.99 135.00 123.67 1aq8 n PRO 36 Ca 0.16 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1aq8 n PRO 36 Cb 0.56 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 1aq8 n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1aq8 s LYS 37 N -1.54 0.57 -0.71 -0.52 -2.85 -1.26 -4.36 119.74 109.06 1aq8 s LYS 37 Ca 0.61 -0.90 -0.20 0.00 -1.00 0.00 0.00 55.97 54.48 1aq8 s LYS 37 Cb -0.69 0.21 0.11 0.00 -2.06 0.00 0.00 37.83 35.40 1aq8 s LYS 37 CO 0.59 -0.13 0.90 0.08 0.10 0.00 0.00 175.35 176.88 1aq8 s VAL 38 N -2.96 4.69 -0.32 1.79 1.01 0.03 -0.99 120.40 123.65 1aq8 s VAL 38 Ca -0.02 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1aq8 s VAL 38 Cb 0.01 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1aq8 s VAL 38 CO -0.06 -1.32 0.92 -0.69 0.00 0.00 0.00 175.10 173.95 1aq8 s VAL 39 N 2.97 4.65 0.02 2.92 1.01 0.17 -2.03 120.40 130.10 1aq8 s VAL 39 Ca 0.20 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 1aq8 s VAL 39 Cb -0.16 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1aq8 s VAL 39 CO 0.03 -0.39 0.39 -1.61 0.00 0.00 0.00 175.10 173.53 1aq8 s GLU 40 N 3.31 3.85 0.04 2.72 2.02 0.04 -1.04 118.70 129.64 1aq8 s GLU 40 Ca 0.38 0.32 -0.00 0.00 0.02 0.00 0.00 54.97 55.69 1aq8 s GLU 40 Cb -0.13 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1aq8 s GLU 40 CO 0.14 0.65 -0.04 -0.06 0.02 0.00 0.00 175.26 175.98 1aq8 s PHE 41 N -1.18 0.46 -0.04 1.61 0.40 0.19 -1.55 117.98 117.87 1aq8 s PHE 41 Ca 0.26 -0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 1aq8 s PHE 41 Cb -0.16 -0.32 0.03 0.00 0.51 0.00 0.00 43.02 43.08 1aq8 s PHE 41 CO 0.14 -0.27 0.08 0.99 0.70 0.00 0.00 175.22 176.86 1aq8 s THR 42 N -2.80 -0.04 -0.02 0.64 2.01 -1.26 -0.95 115.64 113.22 1aq8 s THR 42 Ca -0.03 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1aq8 s THR 42 Cb -0.00 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1aq8 s THR 42 CO -0.06 0.06 -0.02 -0.04 -0.69 0.00 0.00 174.62 173.88 1aq8 s MET 43 N 0.89 0.29 -0.16 4.92 -1.94 -0.81 -4.93 119.30 117.56 1aq8 s MET 43 Ca -0.07 -0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.83 1aq8 s MET 43 Cb -0.10 -0.37 -0.04 0.00 2.01 0.00 0.00 34.83 36.33 1aq8 s MET 43 CO -0.04 -0.03 0.03 0.08 -0.01 0.00 0.00 175.02 175.05 1aq8 s VAL 44 N 0.47 4.50 -0.02 -6.03 1.01 -1.26 -1.06 120.40 118.01 1aq8 s VAL 44 Ca -0.05 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1aq8 s VAL 44 Cb -0.08 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1aq8 s VAL 44 CO -0.01 0.49 0.91 -0.63 0.00 0.00 0.00 175.10 175.86 1aq8 s ILE 45 N 0.16 4.92 -0.17 2.22 1.01 0.41 -0.42 121.20 129.32 1aq8 s ILE 45 Ca 0.03 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1aq8 s ILE 45 Cb -0.13 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1aq8 s ILE 45 CO 0.01 0.18 -0.09 -1.61 0.00 0.00 0.00 174.94 173.44 1aq8 s GLU 46 N 0.96 1.78 -0.25 2.79 0.41 -0.08 -4.40 118.70 119.91 1aq8 s GLU 46 Ca 0.48 -0.61 -0.21 0.00 -0.41 0.00 0.00 54.97 54.22 1aq8 s GLU 46 Cb -0.20 -2.12 -0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1aq8 s GLU 46 CO 0.25 -0.38 0.66 -1.21 -0.49 0.00 0.00 175.26 174.09 1aq8 s GLU 47 N 1.54 4.12 0.06 1.61 2.02 -1.26 -0.86 118.70 125.93 1aq8 s GLU 47 Ca 0.01 0.62 -0.15 0.00 0.02 0.00 0.00 54.97 55.47 1aq8 s GLU 47 Cb -0.15 -3.65 0.02 0.00 0.10 0.00 0.00 34.13 30.46 1aq8 s GLU 47 CO -0.08 -0.43 0.34 -1.59 0.02 0.00 0.00 175.26 173.51 1aq8 s LYS 48 N 2.56 0.89 0.08 1.61 -2.85 0.17 -5.00 119.74 117.20 1aq8 s LYS 48 Ca 0.28 -0.55 -0.28 0.00 -1.00 0.00 0.00 55.97 54.41 1aq8 s LYS 48 Cb -0.15 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 1aq8 s LYS 48 CO 0.08 -0.30 0.90 0.15 0.10 0.00 0.00 175.35 176.28 1aq8 s LYS 49 N -2.88 4.63 0.00 1.78 1.02 -1.26 -0.51 119.74 122.52 1aq8 s LYS 49 Ca -0.03 1.33 0.05 0.00 0.02 0.00 0.00 55.97 57.34 1aq8 s LYS 49 Cb 0.00 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1aq8 s LYS 49 CO -0.05 0.21 -0.16 0.96 -0.92 0.00 0.00 175.35 175.39 1aq8 s ILE 50 N 0.07 1.26 -0.30 2.17 -4.36 -0.11 -4.92 121.20 115.01 1aq8 s ILE 50 Ca 0.45 -0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 59.92 1aq8 s ILE 50 Cb -0.22 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 1aq8 s ILE 50 CO 0.28 0.28 0.32 -0.69 0.24 0.00 0.00 174.94 175.36 1aq8 s VAL 51 N -0.49 5.21 -2.02 8.37 1.01 -1.26 -0.78 120.40 130.45 1aq8 s VAL 51 Ca 0.05 0.26 0.25 0.00 0.00 0.00 0.00 61.98 62.54 1aq8 s VAL 51 Cb -0.07 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.78 1aq8 s VAL 51 CO -0.00 0.09 1.35 2.30 0.00 0.00 0.00 175.10 178.84 1aq8 n ILE 52 N 5.14 0.00 -3.64 2.22 -5.35 -0.05 -4.80 119.36 112.88 1aq8 n ILE 52 Ca -0.10 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.06 1aq8 n ILE 52 Cb 0.51 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 1aq8 n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1aq8 s ASP 53 N -2.42 -0.38 0.00 7.28 3.84 -1.26 -0.81 116.67 122.92 1aq8 s ASP 53 Ca 0.23 -0.33 0.09 0.00 -0.00 0.00 0.00 52.55 52.55 1aq8 s ASP 53 Cb 0.19 0.62 0.55 0.00 -1.38 0.00 0.00 42.92 42.90 1aq8 s ASP 53 CO 0.52 -1.09 0.98 -0.90 -0.00 0.00 0.00 175.17 174.68 1aq8 n ASP 54 N -0.38 0.00 -0.87 2.11 5.68 -1.26 -1.48 116.55 120.34 1aq8 n ASP 54 Ca -0.11 -0.58 0.12 0.00 -0.50 0.00 0.00 54.79 53.72 1aq8 n ASP 54 Cb 0.63 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.85 1aq8 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aq8 n ALA 55 N -0.83 2.48 -0.97 2.12 0.00 -1.26 -4.95 120.51 117.09 1aq8 n ALA 55 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1aq8 n ALA 55 Cb 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1aq8 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq8 n GLY 56 N 1.33 0.48 3.70 0.00 0.00 -0.55 -5.00 105.19 105.15 1aq8 n GLY 56 Ca 0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1aq8 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aq8 s THR 57 N -2.00 2.74 0.15 2.61 2.01 -1.25 -4.90 115.64 115.00 1aq8 s THR 57 Ca 0.00 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.36 1aq8 s THR 57 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1aq8 s THR 57 CO 0.00 0.01 0.13 -1.61 -0.69 0.00 0.00 174.62 172.45 1aq8 s GLU 58 N 2.31 2.91 -0.02 4.92 2.02 -1.26 -0.87 118.70 128.72 1aq8 s GLU 58 Ca 0.75 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1aq8 s GLU 58 Cb -0.43 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.14 1aq8 s GLU 58 CO 0.33 0.50 -0.00 0.08 0.02 0.00 0.00 175.26 176.19 1aq8 s VAL 59 N -1.68 0.14 -1.06 2.63 1.01 0.04 -4.93 120.40 116.56 1aq8 s VAL 59 Ca 0.31 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1aq8 s VAL 59 Cb -0.11 -0.19 0.10 0.00 0.00 0.00 0.00 36.38 36.18 1aq8 s VAL 59 CO 0.23 0.10 1.37 -1.00 0.00 0.00 0.00 175.10 175.80 1aq8 s HIS 60 N 0.57 2.96 0.35 5.22 3.76 -1.26 -0.93 115.29 125.95 1aq8 s HIS 60 Ca -0.05 -1.39 -0.26 0.00 -0.15 0.00 0.00 55.06 53.21 1aq8 s HIS 60 Cb -0.08 -4.49 -0.09 0.00 1.11 0.00 0.00 32.58 29.03 1aq8 s HIS 60 CO -0.01 -1.66 1.07 0.00 -0.85 0.00 0.00 174.74 173.29 1aq8 s ALA 61 N 3.42 3.21 -0.49 -1.40 0.00 0.34 -4.87 121.76 121.97 1aq8 s ALA 61 Ca 0.42 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1aq8 s ALA 61 Cb -0.02 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.94 1aq8 s ALA 61 CO -0.05 -0.19 0.26 -1.64 0.00 0.00 0.00 175.76 174.14 1aq8 s MET 62 N -2.08 2.08 -0.16 0.00 -1.94 -0.71 -0.66 119.30 115.83 1aq8 s MET 62 Ca 0.53 -2.26 -0.05 0.00 -1.71 0.00 0.00 55.69 52.20 1aq8 s MET 62 Cb -0.26 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1aq8 s MET 62 CO 0.33 -1.09 0.00 0.00 -0.01 0.00 0.00 175.02 174.25 1aq8 s ALA 63 N 0.36 3.17 0.03 3.03 0.00 -0.04 -2.64 121.76 125.67 1aq8 s ALA 63 Ca 0.14 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1aq8 s ALA 63 Cb -0.22 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1aq8 s ALA 63 CO -0.04 0.24 1.31 -0.06 0.00 0.00 0.00 175.76 177.21 1aq8 s PHE 64 N 0.25 3.14 -0.98 0.00 0.08 -1.25 -0.90 117.98 118.32 1aq8 s PHE 64 Ca -0.00 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1aq8 s PHE 64 Cb -0.13 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1aq8 s PHE 64 CO 0.02 -1.92 0.00 -1.71 -0.10 0.00 0.00 175.22 171.50 1aq8 n ASN 65 N 4.70 -5.27 0.00 1.36 5.15 0.44 -2.50 115.26 119.14 1aq8 n ASN 65 Ca 0.11 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1aq8 n ASN 65 Cb 0.45 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1aq8 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aq8 n GLY 66 N -0.31 0.81 3.32 8.20 0.00 -1.03 -4.92 105.19 111.25 1aq8 n GLY 66 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1aq8 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aq8 s THR 67 N -3.12 1.65 -0.22 2.61 -4.23 -1.04 -4.93 115.64 106.36 1aq8 s THR 67 Ca 0.00 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1aq8 s THR 67 Cb 0.00 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 72.02 1aq8 s THR 67 CO 0.00 -0.48 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.83 1aq8 s VAL 68 N -2.53 1.61 0.99 2.29 1.01 -1.26 -3.25 120.40 119.26 1aq8 s VAL 68 Ca 0.17 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1aq8 s VAL 68 Cb -0.03 -1.78 0.20 0.00 0.00 0.00 0.00 36.38 34.77 1aq8 s VAL 68 CO 0.06 0.04 1.24 -2.16 0.00 0.00 0.00 175.10 174.27 1aq8 s PRO 69 N 1.38 0.42 0.83 2.72 0.04 -1.26 -1.97 135.00 137.16 1aq8 s PRO 69 Ca -0.04 -0.19 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 1aq8 s PRO 69 Cb -0.18 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1aq8 s PRO 69 CO -0.07 -2.59 1.10 0.20 0.04 0.00 0.00 177.00 175.68 1aq8 s GLY 70 N -4.52 1.66 0.61 0.56 0.00 0.50 -4.77 107.32 101.36 1aq8 s GLY 70 Ca 0.71 0.25 -0.18 0.00 0.00 0.00 0.00 44.72 45.49 1aq8 s GLY 70 CO 0.53 0.64 1.23 2.56 0.00 0.00 0.00 173.10 178.06 1aq8 s PRO 71 N -4.85 2.85 -0.17 2.90 0.04 -1.26 -4.43 135.00 130.07 1aq8 s PRO 71 Ca 0.63 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 63.28 1aq8 s PRO 71 Cb -0.18 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1aq8 s PRO 71 CO 0.57 -1.32 0.88 -1.17 0.04 0.00 0.00 177.00 176.00 1aq8 s LEU 72 N -4.19 4.17 -0.19 -3.56 2.96 -1.26 -4.42 118.68 112.20 1aq8 s LEU 72 Ca 0.78 1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 55.82 1aq8 s LEU 72 Cb -0.32 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1aq8 s LEU 72 CO 0.35 -0.45 0.17 -0.04 -1.32 0.00 0.00 176.35 175.06 1aq8 s MET 73 N 2.32 4.18 -0.13 1.98 -1.94 -1.14 -4.49 119.30 120.08 1aq8 s MET 73 Ca 0.40 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1aq8 s MET 73 Cb -0.16 -3.41 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 1aq8 s MET 73 CO 0.12 0.30 -0.15 0.08 -0.01 0.00 0.00 175.02 175.36 1aq8 s VAL 74 N 0.34 2.86 0.35 -6.03 1.01 -1.26 0.01 120.40 117.67 1aq8 s VAL 74 Ca 0.10 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1aq8 s VAL 74 Cb -0.11 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1aq8 s VAL 74 CO -0.00 0.52 0.36 0.68 0.00 0.00 0.00 175.10 176.66 1aq8 s VAL 75 N 0.47 0.00 0.34 2.92 -7.23 -0.42 -4.98 120.40 111.49 1aq8 s VAL 75 Ca -0.10 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1aq8 s VAL 75 Cb -0.16 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 1aq8 s VAL 75 CO 0.05 0.00 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.82 1aq8 s HIS 76 N -3.21 2.52 0.32 2.82 3.76 -1.26 -0.48 115.29 119.75 1aq8 s HIS 76 Ca 0.37 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 1aq8 s HIS 76 Cb 0.01 -1.44 -0.12 0.00 1.11 0.00 0.00 32.58 32.14 1aq8 s HIS 76 CO 0.26 0.51 1.38 0.94 -0.85 0.00 0.00 174.74 176.99 1aq8 n GLN 77 N -0.91 2.26 -1.05 1.40 7.27 0.63 -2.12 117.38 124.85 1aq8 n GLN 77 Ca -0.04 0.80 -0.02 0.00 0.07 0.00 0.00 57.00 57.80 1aq8 n GLN 77 Cb 0.62 -2.44 -0.01 0.00 2.41 0.00 0.00 30.24 30.82 1aq8 n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1aq8 n ASP 78 N 1.22 -4.27 -4.94 1.69 10.43 0.80 -4.79 116.55 116.69 1aq8 n ASP 78 Ca 0.06 0.04 -0.25 0.00 2.57 0.00 0.00 54.79 57.22 1aq8 n ASP 78 Cb 0.35 -1.93 0.04 0.00 1.84 0.00 0.00 41.12 41.43 1aq8 n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1aq8 s ASP 79 N -2.17 5.29 -0.21 -2.24 -0.00 -0.90 -4.65 116.67 111.78 1aq8 s ASP 79 Ca 0.00 0.41 -0.03 0.00 -0.00 0.00 0.00 52.55 52.94 1aq8 s ASP 79 Cb 0.00 -1.30 -0.00 0.00 -0.00 0.00 0.00 42.92 41.62 1aq8 s ASP 79 CO 0.00 -1.22 -0.08 -0.31 -0.00 0.00 0.00 175.17 173.56 1aq8 s TYR 80 N -2.97 2.91 -0.30 4.23 1.51 -0.16 -0.98 117.35 121.59 1aq8 s TYR 80 Ca 0.56 -1.04 -0.18 0.00 -1.01 0.00 0.00 57.07 55.40 1aq8 s TYR 80 Cb -0.10 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1aq8 s TYR 80 CO 0.43 -0.57 0.51 -1.17 -1.11 0.00 0.00 175.55 173.63 1aq8 s LEU 81 N 1.35 4.17 -0.29 -1.29 0.20 -0.32 0.41 118.68 122.90 1aq8 s LEU 81 Ca 0.04 0.28 -0.03 0.00 0.69 0.00 0.00 54.13 55.11 1aq8 s LEU 81 Cb -0.14 -2.61 0.04 0.00 -0.43 0.00 0.00 46.19 43.04 1aq8 s LEU 81 CO -0.04 -0.36 0.01 -0.70 -0.29 0.00 0.00 176.35 174.96 1aq8 s GLU 82 N 2.34 2.62 -0.15 1.98 2.12 -0.20 -1.73 118.70 125.67 1aq8 s GLU 82 Ca 0.20 -1.15 -0.04 0.00 0.36 0.00 0.00 54.97 54.34 1aq8 s GLU 82 Cb -0.15 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1aq8 s GLU 82 CO 0.11 -0.56 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.08 1aq8 s LEU 83 N 1.32 3.31 -0.46 2.70 1.98 0.45 -0.64 118.68 127.33 1aq8 s LEU 83 Ca -0.03 -0.10 -0.11 0.00 -2.89 0.00 0.00 54.13 51.00 1aq8 s LEU 83 Cb -0.19 -1.80 0.10 0.00 0.66 0.00 0.00 46.19 44.97 1aq8 s LEU 83 CO -0.01 0.18 0.35 -0.89 -1.89 0.00 0.00 176.35 174.09 1aq8 s THR 84 N 0.28 4.53 -0.07 3.68 2.01 -0.12 -0.97 115.64 124.97 1aq8 s THR 84 Ca -0.02 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.29 1aq8 s THR 84 Cb -0.14 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1aq8 s THR 84 CO 0.03 -0.67 0.47 -0.22 -0.69 0.00 0.00 174.62 173.54 1aq8 s LEU 85 N 1.46 4.35 -0.09 4.42 2.96 -0.51 -1.92 118.68 129.36 1aq8 s LEU 85 Ca 0.04 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 1aq8 s LEU 85 Cb -0.25 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1aq8 s LEU 85 CO 0.02 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 1aq8 s ILE 86 N 0.05 1.75 -0.45 6.68 1.01 -0.22 -1.84 121.20 128.19 1aq8 s ILE 86 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1aq8 s ILE 86 Cb -0.16 -1.53 0.12 0.00 0.01 0.00 0.00 42.46 40.90 1aq8 s ILE 86 CO 0.12 0.49 0.21 0.21 0.00 0.00 0.00 174.94 175.97 1aq8 s ASN 87 N 0.42 4.91 0.83 3.58 2.47 -0.39 -0.45 114.94 126.31 1aq8 s ASN 87 Ca -0.17 -2.42 -0.13 0.00 0.42 0.00 0.00 52.86 50.56 1aq8 s ASN 87 Cb -0.17 -1.73 0.07 0.00 -1.45 0.00 0.00 41.25 37.97 1aq8 s ASN 87 CO 0.07 -0.40 1.00 -2.65 -3.72 0.00 0.00 177.10 171.40 1aq8 n PRO 88 N 3.98 0.05 0.22 0.43 -0.02 -1.26 0.62 135.00 139.03 1aq8 n PRO 88 Ca 0.03 0.09 0.15 0.00 -2.02 0.00 0.00 63.50 61.75 1aq8 n PRO 88 Cb 0.39 -2.27 0.73 0.00 -0.02 0.00 0.00 33.50 32.33 1aq8 n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1aq8 h GLU 89 N -1.05 0.00 0.00 -0.52 4.11 -1.89 -1.74 114.58 113.49 1aq8 h GLU 89 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1aq8 h GLU 89 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1aq8 h GLU 89 CO 0.43 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.76 1aq8 n THR 90 N -2.63 0.71 -2.70 -1.06 -2.24 -1.26 -4.78 114.28 100.32 1aq8 n THR 90 Ca -0.00 0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.63 1aq8 n THR 90 Cb 0.16 -0.91 0.01 0.00 -2.10 0.00 0.00 70.33 67.49 1aq8 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1aq8 s ASN 91 N -3.66 6.02 -0.00 3.42 0.01 -0.66 -4.97 114.94 115.10 1aq8 s ASN 91 Ca 0.08 0.73 0.07 0.00 -0.71 0.00 0.00 52.86 53.02 1aq8 s ASN 91 Cb 0.11 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.71 1aq8 s ASN 91 CO 0.40 -0.70 0.22 0.35 -1.51 0.00 0.00 177.10 175.87 1aq8 n THR 92 N -2.27 0.00 -4.32 1.60 -2.24 -1.26 -4.73 114.28 101.06 1aq8 n THR 92 Ca 0.01 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 1aq8 n THR 92 Cb 0.56 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 1aq8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1aq8 s LEU 93 N -2.89 3.01 0.15 3.22 1.43 -1.26 -4.90 118.68 117.44 1aq8 s LEU 93 Ca 0.00 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.17 1aq8 s LEU 93 Cb 0.05 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1aq8 s LEU 93 CO 0.29 0.05 0.79 -0.32 0.23 0.00 0.00 176.35 177.38 1aq8 s MET 94 N -3.28 4.58 0.15 1.70 -2.45 -1.26 -4.17 119.30 114.57 1aq8 s MET 94 Ca 0.28 1.17 0.01 0.00 -1.25 0.00 0.00 55.69 55.91 1aq8 s MET 94 Cb -0.07 -3.28 -0.04 0.00 1.25 0.00 0.00 34.83 32.69 1aq8 s MET 94 CO 0.17 0.53 -0.00 -1.01 1.05 0.00 0.00 175.02 175.75 1aq8 s HIS 95 N -0.99 1.11 0.13 4.11 0.09 -0.78 -4.87 115.29 114.09 1aq8 s HIS 95 Ca 0.37 -1.03 -0.03 0.00 -0.00 0.00 0.00 55.06 54.37 1aq8 s HIS 95 Cb -0.23 -0.63 0.01 0.00 -0.00 0.00 0.00 32.58 31.73 1aq8 s HIS 95 CO 0.26 -0.24 0.23 0.27 -0.00 0.00 0.00 174.74 175.27 1aq8 n ASN 96 N -0.19 -0.67 -3.79 1.40 6.94 -1.26 -1.24 115.26 116.45 1aq8 n ASN 96 Ca -0.07 -1.60 -0.13 0.00 -0.02 0.00 0.00 54.58 52.75 1aq8 n ASN 96 Cb 0.63 1.16 -0.13 0.00 -2.36 0.00 0.00 39.78 39.08 1aq8 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1aq8 s ILE 97 N -2.64 -0.02 -0.26 1.53 2.07 -1.26 -4.05 121.20 116.57 1aq8 s ILE 97 Ca 0.08 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.36 1aq8 s ILE 97 Cb -0.01 -0.26 0.03 0.00 0.13 0.00 0.00 42.46 42.35 1aq8 s ILE 97 CO 0.05 0.02 -0.05 -0.62 -1.91 0.00 0.00 174.94 172.44 1aq8 s ASP 98 N 0.46 4.46 -0.35 4.50 3.68 0.18 -1.14 116.67 128.45 1aq8 s ASP 98 Ca -0.03 -1.00 -0.16 0.00 2.13 0.00 0.00 52.55 53.49 1aq8 s ASP 98 Cb -0.04 -1.67 -0.01 0.00 -1.45 0.00 0.00 42.92 39.75 1aq8 s ASP 98 CO -0.02 -0.16 0.41 -0.36 0.13 0.00 0.00 175.17 175.16 1aq8 s PHE 99 N 1.29 3.20 0.04 -5.34 0.40 0.06 -1.15 117.98 116.49 1aq8 s PHE 99 Ca -0.02 -0.02 0.32 0.00 -0.60 0.00 0.00 56.93 56.61 1aq8 s PHE 99 Cb -0.18 -2.76 1.49 0.00 0.51 0.00 0.00 43.02 42.09 1aq8 s PHE 99 CO -0.04 -0.49 1.95 0.45 0.70 0.00 0.00 175.22 177.80 1aq8 h HIS 100 N 8.49 0.00 0.00 0.36 3.86 -1.44 -1.22 115.15 125.21 1aq8 h HIS 100 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1aq8 h HIS 100 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1aq8 h HIS 100 CO 0.69 0.00 -0.06 0.00 0.86 0.00 0.00 177.93 179.42 1aq8 h ALA 101 N 2.07 0.96 -2.24 2.45 0.00 -1.90 -3.47 119.26 117.13 1aq8 h ALA 101 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1aq8 h ALA 101 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.09 1aq8 h ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1aq8 s ALA 102 N -3.15 3.53 -0.17 0.00 0.00 -0.46 -4.62 121.76 116.89 1aq8 s ALA 102 Ca 0.09 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1aq8 s ALA 102 Cb 0.10 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.87 1aq8 s ALA 102 CO 0.63 -0.33 -0.12 0.99 0.00 0.00 0.00 175.76 176.93 1aq8 s THR 103 N -2.63 1.61 0.00 0.00 2.01 -1.26 -4.70 115.64 110.67 1aq8 s THR 103 Ca 0.46 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1aq8 s THR 103 Cb -0.10 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1aq8 s THR 103 CO 0.41 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1aq8 n GLY 104 N 4.73 3.05 3.96 4.40 0.00 -1.26 -4.94 105.19 115.13 1aq8 n GLY 104 Ca -0.16 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1aq8 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 n ALA 105 N -0.36 -2.00 -3.79 4.61 0.00 -1.26 -0.40 120.51 117.31 1aq8 n ALA 105 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 1aq8 n ALA 105 Cb 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.23 1aq8 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aq8 n LEU 106 N -3.96 -2.83 -0.52 0.00 4.77 -1.26 -0.75 117.00 112.45 1aq8 n LEU 106 Ca -0.18 -0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 54.87 1aq8 n LEU 106 Cb 0.49 -2.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.01 1aq8 n LEU 106 CO 0.62 0.42 -0.06 0.61 -1.33 0.00 0.00 177.39 177.65 1aq8 n GLY 107 N -1.68 0.80 0.00 -0.72 0.00 0.46 -1.79 105.19 102.26 1aq8 n GLY 107 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1aq8 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 108 N -0.87 2.91 0.39 -0.02 0.00 0.07 -0.76 105.19 106.90 1aq8 n GLY 108 Ca -0.07 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.16 1aq8 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aq8 h GLY 109 N 0.00 0.00 2.00 -0.02 0.00 -0.32 0.61 103.07 105.34 1aq8 h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aq8 h GLY 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1aq8 h GLY 110 N 0.00 0.00 -0.41 4.60 0.00 -1.46 -3.25 103.07 102.54 1aq8 h GLY 110 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1aq8 h GLY 110 CO -0.00 0.00 -0.32 1.04 0.00 0.00 0.00 176.54 177.26 1aq8 n LEU 111 N -2.33 1.15 -0.69 3.11 4.77 0.15 -4.64 117.00 118.51 1aq8 n LEU 111 Ca 0.05 -0.70 0.08 0.00 -0.03 0.00 0.00 56.01 55.41 1aq8 n LEU 111 Cb 0.40 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.71 1aq8 n LEU 111 CO 0.29 0.23 0.67 0.35 -1.33 0.00 0.00 177.39 177.60 1aq8 n THR 112 N -0.47 2.04 -2.11 -5.08 -2.24 -0.84 -4.95 114.28 100.64 1aq8 n THR 112 Ca 0.04 -1.82 -0.40 0.00 -2.27 0.00 0.00 64.05 59.60 1aq8 n THR 112 Cb 0.23 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1aq8 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aq8 s GLU 113 N -2.58 2.88 -0.12 -0.78 2.02 -1.25 -4.17 118.70 114.71 1aq8 s GLU 113 Ca 0.37 0.70 0.03 0.00 0.02 0.00 0.00 54.97 56.09 1aq8 s GLU 113 Cb 0.30 -4.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.22 1aq8 s GLU 113 CO 0.08 -2.43 -0.20 0.96 0.02 0.00 0.00 175.26 173.69 1aq8 s ILE 114 N 8.09 2.35 0.63 -1.63 -4.36 -0.37 -4.97 121.20 120.93 1aq8 s ILE 114 Ca 0.66 -0.91 -0.07 0.00 -0.26 0.00 0.00 60.65 60.07 1aq8 s ILE 114 Cb -0.14 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1aq8 s ILE 114 CO 0.24 0.55 0.95 0.20 0.24 0.00 0.00 174.94 177.11 1aq8 s ASN 115 N 0.43 5.45 0.18 4.36 0.02 -1.26 -1.87 114.94 122.25 1aq8 s ASN 115 Ca -0.15 0.74 -0.33 0.00 -1.02 0.00 0.00 52.86 52.10 1aq8 s ASN 115 Cb -0.17 -1.65 -0.14 0.00 0.02 0.00 0.00 41.25 39.31 1aq8 s ASN 115 CO 0.06 -1.19 1.48 -2.65 0.02 0.00 0.00 177.10 174.82 1aq8 n PRO 116 N -2.70 1.98 -0.03 -0.60 -0.02 -1.26 -0.92 135.00 131.45 1aq8 n PRO 116 Ca 0.05 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1aq8 n PRO 116 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1aq8 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq8 n GLY 117 N 2.82 0.37 3.75 -1.23 0.00 0.20 -4.69 105.19 106.40 1aq8 n GLY 117 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1aq8 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aq8 s GLU 118 N -0.91 2.44 0.21 1.61 2.02 -0.10 -4.87 118.70 119.10 1aq8 s GLU 118 Ca 0.00 -1.49 -0.05 0.00 0.02 0.00 0.00 54.97 53.45 1aq8 s GLU 118 Cb 0.00 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1aq8 s GLU 118 CO 0.00 0.13 0.24 -1.59 0.02 0.00 0.00 175.26 174.07 1aq8 s LYS 119 N -3.86 1.30 0.14 1.61 -2.85 -1.26 -1.26 119.74 113.56 1aq8 s LYS 119 Ca 0.38 -1.48 -0.23 0.00 -1.00 0.00 0.00 55.97 53.64 1aq8 s LYS 119 Cb -0.03 0.34 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 1aq8 s LYS 119 CO 0.23 -0.47 0.58 -0.08 0.10 0.00 0.00 175.35 175.71 1aq8 s THR 120 N -4.10 0.01 -0.12 3.79 -1.32 -0.76 -4.98 115.64 108.15 1aq8 s THR 120 Ca 0.32 -0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.72 1aq8 s THR 120 Cb 0.04 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 1aq8 s THR 120 CO 0.10 -0.04 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.78 1aq8 s ILE 121 N -3.56 0.98 -0.04 5.08 1.01 -1.26 -1.42 121.20 121.98 1aq8 s ILE 121 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1aq8 s ILE 121 Cb -0.01 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1aq8 s ILE 121 CO -0.11 0.30 -0.17 -0.22 0.00 0.00 0.00 174.94 174.74 1aq8 s LEU 122 N 1.72 2.59 -0.04 2.97 2.96 -0.14 -4.96 118.68 123.77 1aq8 s LEU 122 Ca 0.04 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1aq8 s LEU 122 Cb -0.13 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1aq8 s LEU 122 CO -0.08 0.34 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.58 1aq8 s ARG 123 N -0.68 1.29 0.03 1.98 3.52 -1.26 -0.41 118.95 123.42 1aq8 s ARG 123 Ca 0.11 -0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 1aq8 s ARG 123 Cb -0.11 -1.15 -0.02 0.00 -1.56 0.00 0.00 34.95 32.12 1aq8 s ARG 123 CO 0.00 0.11 0.06 -0.59 -0.81 0.00 0.00 175.30 174.07 1aq8 s PHE 124 N 0.31 0.24 -0.27 5.12 -0.12 -0.71 -4.98 117.98 117.57 1aq8 s PHE 124 Ca -0.06 -0.56 -0.20 0.00 -0.05 0.00 0.00 56.93 56.06 1aq8 s PHE 124 Cb -0.11 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1aq8 s PHE 124 CO 0.01 -0.33 0.61 0.21 -0.05 0.00 0.00 175.22 175.68 1aq8 s LYS 125 N -2.47 4.03 -1.35 1.99 2.20 -1.26 -1.18 119.74 121.70 1aq8 s LYS 125 Ca -0.06 0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 55.80 1aq8 s LYS 125 Cb -0.02 -3.68 0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1aq8 s LYS 125 CO -0.04 -0.46 1.99 0.00 -0.36 0.00 0.00 175.35 176.48 1aq8 n ALA 126 N 5.74 4.44 0.23 3.13 0.00 -0.15 -4.76 120.51 129.14 1aq8 n ALA 126 Ca -0.01 -3.81 0.11 0.00 0.00 0.00 0.00 53.44 49.72 1aq8 n ALA 126 Cb 0.49 -3.57 0.48 0.00 0.00 0.00 0.00 19.45 16.84 1aq8 n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aq8 h THR 127 N 4.79 0.51 -3.33 0.00 1.35 -1.85 0.23 112.91 114.61 1aq8 h THR 127 Ca 0.50 -1.06 -0.66 0.00 -0.55 0.00 0.00 66.41 64.64 1aq8 h THR 127 Cb 0.75 1.74 -0.27 0.00 -1.73 0.00 0.00 68.15 68.65 1aq8 h THR 127 CO 1.68 0.20 -0.75 -0.54 -0.25 0.00 0.00 175.52 175.86 1aq8 s LYS 128 N -3.66 3.39 0.10 4.72 1.02 -1.26 -4.68 119.74 119.38 1aq8 s LYS 128 Ca 0.01 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1aq8 s LYS 128 Cb 0.10 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1aq8 s LYS 128 CO 0.63 0.07 1.03 -1.25 -0.92 0.00 0.00 175.35 174.91 1aq8 s PRO 129 N 0.73 4.62 0.00 -1.68 0.04 -1.26 -4.78 135.00 132.67 1aq8 s PRO 129 Ca -0.04 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1aq8 s PRO 129 Cb -0.15 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1aq8 s PRO 129 CO 0.02 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1aq8 n GLY 130 N 2.41 -0.48 3.73 0.56 0.00 0.53 -2.47 105.19 109.46 1aq8 n GLY 130 Ca 0.04 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1aq8 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aq8 s VAL 131 N -1.69 5.36 0.07 1.61 -7.23 -0.03 -0.19 120.40 118.31 1aq8 s VAL 131 Ca 0.00 0.34 0.06 0.00 -1.81 0.00 0.00 61.98 60.57 1aq8 s VAL 131 Cb 0.00 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1aq8 s VAL 131 CO 0.00 0.41 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.68 1aq8 s PHE 132 N 0.44 1.43 0.42 2.82 0.08 -0.19 -4.49 117.98 118.49 1aq8 s PHE 132 Ca 0.12 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.59 1aq8 s PHE 132 Cb -0.12 -0.81 -0.08 0.00 -0.57 0.00 0.00 43.02 41.44 1aq8 s PHE 132 CO 0.01 0.10 0.85 0.08 -0.10 0.00 0.00 175.22 176.16 1aq8 s VAL 133 N -1.13 4.61 -0.00 -0.44 1.01 -1.26 -0.75 120.40 122.44 1aq8 s VAL 133 Ca 0.02 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1aq8 s VAL 133 Cb -0.10 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1aq8 s VAL 133 CO 0.03 -0.44 0.01 -0.72 0.00 0.00 0.00 175.10 173.98 1aq8 s TYR 134 N -2.30 0.03 0.18 5.22 -0.85 -0.78 -1.17 117.35 117.68 1aq8 s TYR 134 Ca 0.56 -0.06 -0.23 0.00 -0.52 0.00 0.00 57.07 56.81 1aq8 s TYR 134 Cb -0.10 -0.03 0.06 0.00 0.38 0.00 0.00 41.96 42.27 1aq8 s TYR 134 CO 0.24 -0.05 0.74 -3.38 -1.52 0.00 0.00 175.55 171.58 1aq8 s HIS 135 N -0.30 -0.32 0.40 -3.49 -3.43 -0.30 -0.19 115.29 107.66 1aq8 s HIS 135 Ca -0.03 0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.02 1aq8 s HIS 135 Cb -0.02 0.62 -0.10 0.00 -1.43 0.00 0.00 32.58 31.65 1aq8 s HIS 135 CO -0.00 -0.93 0.99 0.00 -2.00 0.00 0.00 174.74 172.79 1aq8 n ALA 137 N -0.18 0.19 -2.41 0.00 0.00 -1.26 -4.47 120.51 112.38 1aq8 n ALA 137 Ca 0.05 -2.18 -0.42 0.00 0.00 0.00 0.00 53.44 50.89 1aq8 n ALA 137 Cb 0.51 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1aq8 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1aq8 s PRO 138 N 0.03 4.36 -0.23 0.00 0.02 -1.26 -4.84 135.00 133.08 1aq8 s PRO 138 Ca 0.33 1.75 -0.41 0.00 0.02 0.00 0.00 61.00 62.69 1aq8 s PRO 138 Cb 0.17 -3.50 -0.17 0.00 0.02 0.00 0.00 34.50 31.02 1aq8 s PRO 138 CO -0.18 -0.41 1.62 -2.30 -0.33 0.00 0.00 177.00 175.40 1aq8 n PRO 139 N 4.85 0.92 0.00 5.54 -0.02 -1.26 -0.29 135.00 144.73 1aq8 n PRO 139 Ca 0.11 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1aq8 n PRO 139 Cb 0.46 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1aq8 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq8 n GLY 140 N 3.73 2.20 0.54 -1.23 0.00 -1.26 -4.78 105.19 104.38 1aq8 n GLY 140 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1aq8 n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aq8 n MET 141 N -2.00 0.58 0.01 1.61 2.81 0.60 -4.96 117.12 115.77 1aq8 n MET 141 Ca 0.00 -1.93 -0.01 0.00 -1.81 0.00 0.00 57.70 53.95 1aq8 n MET 141 Cb 0.00 -0.86 -0.01 0.00 -0.71 0.00 0.00 33.22 31.64 1aq8 n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1aq8 h VAL 142 N 4.13 0.00 -0.96 2.03 2.07 -1.69 -2.73 116.25 119.10 1aq8 h VAL 142 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1aq8 h VAL 142 Cb 1.31 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1aq8 h VAL 142 CO 0.02 0.00 0.58 1.55 0.02 0.00 0.00 177.57 179.73 1aq8 h PRO 143 N -0.05 0.84 -0.37 1.57 0.13 -1.91 -2.36 132.00 129.85 1aq8 h PRO 143 Ca -0.00 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1aq8 h PRO 143 Cb 0.05 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 30.94 1aq8 h PRO 143 CO -0.01 0.55 0.04 2.35 -0.23 0.00 0.00 178.00 180.70 1aq8 h TRP 144 N 0.86 0.05 -0.61 1.56 7.01 -1.95 0.56 115.95 123.44 1aq8 h TRP 144 Ca 0.50 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.46 1aq8 h TRP 144 Cb 0.59 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1aq8 h TRP 144 CO -0.02 -0.03 0.15 0.45 -2.79 0.00 0.00 178.44 176.20 1aq8 h HIS 145 N 0.15 1.01 -0.40 2.65 3.86 -1.12 -2.20 115.15 119.10 1aq8 h HIS 145 Ca 0.18 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1aq8 h HIS 145 Cb 0.23 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1aq8 h HIS 145 CO -0.22 0.85 0.15 0.28 0.86 0.00 0.00 177.93 179.85 1aq8 h VAL 146 N 0.88 1.20 0.00 2.45 2.07 -0.94 -2.10 116.25 119.81 1aq8 h VAL 146 Ca 0.19 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1aq8 h VAL 146 Cb 0.34 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1aq8 h VAL 146 CO 0.00 0.23 0.00 1.33 0.02 0.00 0.00 177.57 179.15 1aq8 n VAL 147 N -4.63 0.03 0.06 2.57 0.24 0.12 -1.92 118.33 114.81 1aq8 n VAL 147 Ca -0.00 0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.39 1aq8 n VAL 147 Cb 0.16 -0.57 0.26 0.00 -1.47 0.00 0.00 33.84 32.22 1aq8 n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1aq8 n SER 148 N -1.07 3.37 0.00 -1.34 7.64 -0.83 -4.63 113.62 116.77 1aq8 n SER 148 Ca 0.19 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1aq8 n SER 148 Cb 0.12 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1aq8 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aq8 n GLY 149 N 1.17 0.64 2.94 0.23 0.00 -0.81 -1.74 105.19 107.62 1aq8 n GLY 149 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1aq8 n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1aq8 n MET 150 N -2.70 3.44 -3.55 1.61 0.00 -0.97 -4.57 117.12 110.38 1aq8 n MET 150 Ca 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 57.70 54.21 1aq8 n MET 150 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 33.22 30.18 1aq8 n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1aq8 s ASN 151 N 1.61 -0.43 0.00 6.12 2.20 -1.26 -1.98 114.94 121.20 1aq8 s ASN 151 Ca 0.42 -0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 1aq8 s ASN 151 Cb 0.09 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1aq8 s ASN 151 CO -0.01 -0.96 0.00 0.61 -2.94 0.00 0.00 177.10 173.80 1aq8 n GLY 152 N -0.37 2.85 3.45 0.45 0.00 0.74 -0.37 105.19 111.93 1aq8 n GLY 152 Ca -0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1aq8 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 153 N -1.00 -1.65 0.16 4.61 0.00 -1.26 -1.87 121.76 120.75 1aq8 s ALA 153 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1aq8 s ALA 153 Cb 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1aq8 s ALA 153 CO 0.00 -0.76 -0.09 0.96 0.00 0.00 0.00 175.76 175.88 1aq8 s ILE 154 N -3.59 1.18 -0.14 0.00 -4.36 0.07 -2.88 121.20 111.49 1aq8 s ILE 154 Ca 0.02 -2.07 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1aq8 s ILE 154 Cb -0.01 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1aq8 s ILE 154 CO -0.12 -0.67 -0.11 -0.32 0.24 0.00 0.00 174.94 173.97 1aq8 s MET 155 N -3.76 1.93 -0.69 0.37 -2.45 0.10 -1.02 119.30 113.79 1aq8 s MET 155 Ca 0.19 -0.44 -0.13 0.00 -1.25 0.00 0.00 55.69 54.06 1aq8 s MET 155 Cb 0.03 -1.89 0.18 0.00 1.25 0.00 0.00 34.83 34.39 1aq8 s MET 155 CO 0.02 -0.26 0.62 0.08 1.05 0.00 0.00 175.02 176.53 1aq8 s VAL 156 N 1.58 5.19 0.44 10.11 1.01 0.73 -1.31 120.40 138.17 1aq8 s VAL 156 Ca 0.05 -2.14 -0.23 0.00 0.00 0.00 0.00 61.98 59.66 1aq8 s VAL 156 Cb -0.13 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 1aq8 s VAL 156 CO -0.09 -0.94 1.10 -0.76 0.00 0.00 0.00 175.10 174.40 1aq8 s LEU 157 N 0.71 4.03 0.62 3.92 1.43 0.36 -0.35 118.68 129.40 1aq8 s LEU 157 Ca 0.12 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 1aq8 s LEU 157 Cb -0.19 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.73 1aq8 s LEU 157 CO -0.04 -0.74 1.15 -2.84 0.23 0.00 0.00 176.35 174.11 1aq8 s PRO 158 N -2.72 2.92 0.35 1.29 0.02 -1.26 -0.27 135.00 135.33 1aq8 s PRO 158 Ca 0.62 1.61 0.09 0.00 0.02 0.00 0.00 61.00 63.35 1aq8 s PRO 158 Cb -0.24 -1.95 0.83 0.00 0.02 0.00 0.00 34.50 33.17 1aq8 s PRO 158 CO 0.29 -1.19 1.83 0.00 -0.33 0.00 0.00 177.00 177.60 1aq8 h ARG 159 N 0.55 0.65 -0.69 5.54 2.47 -1.88 -0.98 114.38 120.04 1aq8 h ARG 159 Ca -0.49 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.15 1aq8 h ARG 159 Cb 1.27 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 1aq8 h ARG 159 CO 0.55 0.43 0.06 -0.85 0.56 0.00 0.00 179.97 180.72 1aq8 n GLU 160 N -4.62 4.05 -0.05 0.04 0.00 -1.26 -0.25 120.64 118.56 1aq8 n GLU 160 Ca 0.20 -2.64 0.01 0.00 0.00 0.00 0.00 57.16 54.73 1aq8 n GLU 160 Cb 0.55 -2.13 -0.00 0.00 0.00 0.00 0.00 31.44 29.86 1aq8 n GLU 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aq8 n GLY 161 N 0.38 -1.96 3.84 -1.84 0.00 -0.37 -4.82 105.19 100.41 1aq8 n GLY 161 Ca 0.26 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1aq8 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aq8 s LEU 162 N 0.00 3.98 0.05 0.99 1.43 -1.26 -4.35 118.68 119.52 1aq8 s LEU 162 Ca 0.00 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.51 1aq8 s LEU 162 Cb 0.00 -4.32 -0.00 0.00 0.03 0.00 0.00 46.19 41.89 1aq8 s LEU 162 CO 0.00 -0.30 0.16 -1.00 0.23 0.00 0.00 176.35 175.44 1aq8 s HIS 163 N -2.12 0.13 0.28 0.29 3.76 -1.26 -0.61 115.29 115.77 1aq8 s HIS 163 Ca 0.58 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 55.04 1aq8 s HIS 163 Cb -0.10 -0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.58 1aq8 s HIS 163 CO 0.16 -0.44 0.38 -0.40 -0.85 0.00 0.00 174.74 173.60 1aq8 n ASP 164 N 0.53 0.28 0.28 1.40 5.68 0.14 -4.82 116.55 120.03 1aq8 n ASP 164 Ca -0.18 -1.29 0.12 0.00 -0.50 0.00 0.00 54.79 52.95 1aq8 n ASP 164 Cb 0.60 -0.27 0.81 0.00 -1.14 0.00 0.00 41.12 41.12 1aq8 n ASP 164 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1aq8 h GLY 165 N -0.37 0.00 -3.07 6.12 0.00 -1.89 -1.88 103.07 101.98 1aq8 h GLY 165 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1aq8 h GLY 165 CO 0.11 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.93 1aq8 n LYS 166 N -4.10 3.94 0.00 4.80 4.01 -1.26 -4.94 118.16 120.61 1aq8 n LYS 166 Ca -0.03 -2.74 0.00 0.00 -0.51 0.00 0.00 58.31 55.03 1aq8 n LYS 166 Cb 0.09 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 32.62 1aq8 n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aq8 n GLY 167 N 0.89 2.91 3.76 0.72 0.00 -0.71 -5.00 105.19 107.75 1aq8 n GLY 167 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1aq8 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq8 s LYS 168 N -0.03 4.24 0.29 1.61 1.02 -1.26 -4.66 119.74 120.95 1aq8 s LYS 168 Ca 0.00 2.37 -0.29 0.00 0.02 0.00 0.00 55.97 58.06 1aq8 s LYS 168 Cb 0.00 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 1aq8 s LYS 168 CO 0.00 -0.42 1.26 0.00 -0.92 0.00 0.00 175.35 175.27 1aq8 s ALA 169 N -0.39 3.49 -0.35 5.17 0.00 -1.26 -0.68 121.76 127.74 1aq8 s ALA 169 Ca 0.57 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.71 1aq8 s ALA 169 Cb -0.43 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.34 1aq8 s ALA 169 CO 0.49 -0.51 0.07 -0.51 0.00 0.00 0.00 175.76 175.29 1aq8 s LEU 170 N -1.35 4.81 -0.22 0.00 1.43 0.23 -4.84 118.68 118.73 1aq8 s LEU 170 Ca 0.50 -2.13 -0.08 0.00 -1.03 0.00 0.00 54.13 51.38 1aq8 s LEU 170 Cb -0.37 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1aq8 s LEU 170 CO 0.47 -0.40 0.10 -0.89 0.23 0.00 0.00 176.35 175.86 1aq8 s THR 171 N 0.94 4.85 0.16 5.49 2.01 -1.26 -4.10 115.64 123.73 1aq8 s THR 171 Ca 0.10 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1aq8 s THR 171 Cb -0.20 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1aq8 s THR 171 CO -0.07 0.38 0.37 -0.72 -0.69 0.00 0.00 174.62 173.88 1aq8 s TYR 172 N 1.00 3.48 -0.10 4.92 -0.85 -1.26 -4.89 117.35 119.65 1aq8 s TYR 172 Ca 0.05 0.44 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 1aq8 s TYR 172 Cb -0.14 -1.92 -0.26 0.00 0.38 0.00 0.00 41.96 40.02 1aq8 s TYR 172 CO 0.03 0.42 0.43 -0.44 -1.52 0.00 0.00 175.55 174.48 1aq8 h ASP 173 N 2.50 0.37 -4.34 -0.18 3.32 -0.91 -3.48 116.42 113.69 1aq8 h ASP 173 Ca -0.47 -0.82 -0.30 0.00 0.02 0.00 0.00 57.03 55.47 1aq8 h ASP 173 Cb 1.17 -0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 1aq8 h ASP 173 CO 0.71 1.73 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.70 1aq8 s LYS 174 N -2.57 0.88 -0.02 3.56 1.02 -0.73 -5.02 119.74 116.87 1aq8 s LYS 174 Ca -0.19 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 54.53 1aq8 s LYS 174 Cb 0.07 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1aq8 s LYS 174 CO 0.78 0.06 0.05 -1.50 -0.92 0.00 0.00 175.35 173.82 1aq8 s ILE 175 N -2.89 -0.01 0.04 2.17 2.07 -1.26 -1.00 121.20 120.32 1aq8 s ILE 175 Ca 0.09 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.41 1aq8 s ILE 175 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 42.46 42.49 1aq8 s ILE 175 CO -0.01 0.02 -0.11 -0.31 -1.91 0.00 0.00 174.94 172.62 1aq8 s TYR 176 N 0.24 0.92 -0.27 3.50 2.02 -0.02 -4.50 117.35 119.23 1aq8 s TYR 176 Ca -0.02 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1aq8 s TYR 176 Cb -0.03 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 1aq8 s TYR 176 CO -0.01 -0.01 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.43 1aq8 s TYR 177 N -1.04 3.25 -0.42 2.71 5.04 0.22 -0.50 117.35 126.61 1aq8 s TYR 177 Ca -0.03 -2.09 -0.11 0.00 -2.44 0.00 0.00 57.07 52.39 1aq8 s TYR 177 Cb -0.08 -2.01 0.07 0.00 0.35 0.00 0.00 41.96 40.29 1aq8 s TYR 177 CO 0.01 -0.84 0.29 0.08 -1.34 0.00 0.00 175.55 173.74 1aq8 s VAL 178 N 1.18 4.54 -0.27 3.14 1.01 0.76 -4.12 120.40 126.64 1aq8 s VAL 178 Ca -0.07 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1aq8 s VAL 178 Cb -0.20 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1aq8 s VAL 178 CO -0.03 -0.48 0.37 -0.83 0.00 0.00 0.00 175.10 174.12 1aq8 s GLY 179 N 2.14 1.89 -0.17 4.51 0.00 -1.26 -1.98 107.32 112.45 1aq8 s GLY 179 Ca 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 1aq8 s GLY 179 CO 0.04 0.96 0.25 1.85 0.00 0.00 0.00 173.10 176.21 1aq8 s GLU 180 N 2.03 4.24 -0.04 2.90 2.12 -0.31 -1.67 118.70 127.97 1aq8 s GLU 180 Ca 0.15 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.56 1aq8 s GLU 180 Cb -0.16 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1aq8 s GLU 180 CO 0.10 0.25 -0.24 -1.14 -0.54 0.00 0.00 175.26 173.69 1aq8 s GLN 181 N 0.45 2.25 -0.37 4.30 2.00 0.72 -4.44 119.66 124.56 1aq8 s GLN 181 Ca 0.14 -0.85 -0.09 0.00 -2.00 0.00 0.00 55.36 52.56 1aq8 s GLN 181 Cb -0.12 -1.99 0.04 0.00 0.80 0.00 0.00 33.01 31.74 1aq8 s GLN 181 CO 0.02 0.41 0.18 0.16 -0.50 0.00 0.00 175.29 175.56 1aq8 s ASP 182 N -0.27 5.57 0.04 6.67 3.84 -1.26 -0.60 116.67 130.66 1aq8 s ASP 182 Ca 0.01 -1.14 -0.03 0.00 -0.00 0.00 0.00 52.55 51.38 1aq8 s ASP 182 Cb -0.12 -1.96 -0.05 0.00 -1.38 0.00 0.00 42.92 39.41 1aq8 s ASP 182 CO 0.02 -0.39 0.25 -0.36 -0.00 0.00 0.00 175.17 174.69 1aq8 s PHE 183 N 1.48 3.54 -0.58 2.11 0.08 0.39 -4.77 117.98 120.23 1aq8 s PHE 183 Ca 0.01 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.53 1aq8 s PHE 183 Cb -0.20 -1.89 0.16 0.00 -0.57 0.00 0.00 43.02 40.52 1aq8 s PHE 183 CO 0.05 0.58 0.39 0.71 -0.10 0.00 0.00 175.22 176.85 1aq8 s TYR 184 N -1.43 2.70 -0.21 0.36 1.51 -1.26 -0.66 117.35 118.36 1aq8 s TYR 184 Ca 0.32 -2.94 -0.22 0.00 -1.01 0.00 0.00 57.07 53.22 1aq8 s TYR 184 Cb -0.13 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1aq8 s TYR 184 CO 0.22 -0.67 0.69 0.08 -1.11 0.00 0.00 175.55 174.76 1aq8 s VAL 185 N -0.70 4.97 0.68 0.71 1.01 -1.26 -4.74 120.40 121.07 1aq8 s VAL 185 Ca 0.25 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 1aq8 s VAL 185 Cb -0.08 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1aq8 s VAL 185 CO -0.13 0.06 1.17 -2.84 0.00 0.00 0.00 175.10 173.36 1aq8 s PRO 186 N 2.15 2.52 0.07 2.72 0.02 -1.26 -4.89 135.00 136.33 1aq8 s PRO 186 Ca 0.31 1.62 0.06 0.00 0.02 0.00 0.00 61.00 63.01 1aq8 s PRO 186 Cb -0.16 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 1aq8 s PRO 186 CO 0.10 -1.51 -0.17 1.03 -0.33 0.00 0.00 177.00 176.12 1aq8 s ARG 187 N -3.89 0.99 1.03 5.54 0.52 -1.26 -1.23 118.95 120.64 1aq8 s ARG 187 Ca 0.72 -0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 54.78 1aq8 s ARG 187 Cb -0.26 -1.09 0.23 0.00 0.52 0.00 0.00 34.95 34.35 1aq8 s ARG 187 CO 0.42 0.25 1.28 0.16 0.02 0.00 0.00 175.30 177.44 1aq8 s ASP 188 N -1.62 2.50 0.13 0.23 1.47 0.30 -4.85 116.67 114.83 1aq8 s ASP 188 Ca 0.02 0.31 0.09 0.00 1.18 0.00 0.00 52.55 54.15 1aq8 s ASP 188 Cb -0.09 -0.37 0.47 0.00 -0.34 0.00 0.00 42.92 42.59 1aq8 s ASP 188 CO 0.03 -3.12 1.26 -0.62 0.68 0.00 0.00 175.17 173.40 1aq8 n GLU 189 N -4.03 0.06 -0.23 2.11 -0.58 -1.26 -1.03 120.64 115.67 1aq8 n GLU 189 Ca 0.15 0.55 0.12 0.00 -0.42 0.00 0.00 57.16 57.57 1aq8 n GLU 189 Cb 0.59 -1.68 0.25 0.00 -0.57 0.00 0.00 31.44 30.03 1aq8 n GLU 189 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1aq8 n ASN 190 N -1.80 3.57 0.00 1.62 5.03 -1.26 -4.94 115.26 117.48 1aq8 n ASN 190 Ca -0.01 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.45 1aq8 n ASN 190 Cb 0.01 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 1aq8 n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aq8 n GLY 191 N 1.55 0.86 3.74 7.41 0.00 -0.20 -5.02 105.19 113.54 1aq8 n GLY 191 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1aq8 n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aq8 s LYS 192 N -0.10 4.46 0.28 1.61 2.20 -1.26 -4.81 119.74 122.13 1aq8 s LYS 192 Ca 0.00 0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 1aq8 s LYS 192 Cb 0.00 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.83 1aq8 s LYS 192 CO 0.00 0.24 1.48 0.71 -0.36 0.00 0.00 175.35 177.42 1aq8 s TYR 193 N 0.13 2.90 0.41 4.03 1.51 -1.26 -0.54 117.35 124.53 1aq8 s TYR 193 Ca 0.37 1.00 -0.15 0.00 -1.01 0.00 0.00 57.07 57.28 1aq8 s TYR 193 Cb -0.20 -3.90 -0.08 0.00 -0.11 0.00 0.00 41.96 37.67 1aq8 s TYR 193 CO 0.21 -2.90 0.84 0.15 -1.11 0.00 0.00 175.55 172.74 1aq8 s LYS 194 N -0.71 3.98 0.07 -0.62 1.02 -0.37 -4.82 119.74 118.29 1aq8 s LYS 194 Ca 0.59 0.77 0.10 0.00 0.02 0.00 0.00 55.97 57.44 1aq8 s LYS 194 Cb -0.44 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1aq8 s LYS 194 CO 0.47 -0.02 -0.26 0.15 -0.92 0.00 0.00 175.35 174.77 1aq8 s LYS 195 N -3.48 1.67 0.09 1.68 1.02 -1.26 -4.73 119.74 114.73 1aq8 s LYS 195 Ca 0.56 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 55.43 1aq8 s LYS 195 Cb -0.10 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1aq8 s LYS 195 CO 0.23 0.49 -0.15 0.71 -0.92 0.00 0.00 175.35 175.71 1aq8 s TYR 196 N -0.88 1.33 -1.61 3.18 2.02 -1.26 -5.03 117.35 115.10 1aq8 s TYR 196 Ca 0.12 -0.48 0.28 0.00 -0.37 0.00 0.00 57.07 56.62 1aq8 s TYR 196 Cb -0.10 -0.73 1.17 0.00 -0.40 0.00 0.00 41.96 41.91 1aq8 s TYR 196 CO 0.03 0.09 1.83 0.39 -1.57 0.00 0.00 175.55 176.33 1aq8 n GLU 197 N 1.06 0.65 -3.50 -0.62 1.02 -1.26 -4.89 120.64 113.10 1aq8 n GLU 197 Ca -0.19 -0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 56.55 1aq8 n GLU 197 Cb 0.55 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 1aq8 n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aq8 s ALA 198 N -2.51 -1.75 0.09 0.62 0.00 -1.26 -5.06 121.76 111.88 1aq8 s ALA 198 Ca 0.27 1.16 -0.33 0.00 0.00 0.00 0.00 51.96 53.07 1aq8 s ALA 198 Cb 0.20 0.14 -0.15 0.00 0.00 0.00 0.00 23.12 23.31 1aq8 s ALA 198 CO 0.49 -0.46 1.60 -1.35 0.00 0.00 0.00 175.76 176.04 1aq8 h PRO 199 N 2.72 -0.83 -0.57 0.00 0.11 -1.94 -2.54 132.00 128.96 1aq8 h PRO 199 Ca -0.28 0.06 0.17 0.00 0.11 0.00 0.00 66.00 66.06 1aq8 h PRO 199 Cb 1.18 0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1aq8 h PRO 199 CO 0.38 -0.55 0.52 0.78 -0.21 0.00 0.00 178.00 178.92 1aq8 h GLY 200 N -0.86 0.00 1.80 -0.55 0.00 -2.00 0.74 103.07 102.20 1aq8 h GLY 200 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1aq8 h GLY 200 CO -0.00 0.00 -0.28 -0.55 0.00 0.00 0.00 176.54 175.71 1aq8 h ASP 201 N 0.00 0.23 1.12 0.19 3.32 -1.87 -3.01 116.42 116.40 1aq8 h ASP 201 Ca 0.27 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1aq8 h ASP 201 Cb 1.32 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1aq8 h ASP 201 CO -0.00 0.51 -0.92 0.00 -1.72 0.00 0.00 179.24 177.11 1aq8 h ALA 202 N 1.51 0.66 -0.62 3.45 0.00 -0.87 -3.41 119.26 119.97 1aq8 h ALA 202 Ca 0.03 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1aq8 h ALA 202 Cb 0.61 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1aq8 h ALA 202 CO 0.04 0.52 -0.36 0.98 0.00 0.00 0.00 179.25 180.43 1aq8 n TYR 203 N -2.95 -0.27 -0.15 0.00 4.19 -1.08 -0.66 117.16 116.24 1aq8 n TYR 203 Ca -0.03 0.77 -0.03 0.00 3.31 0.00 0.00 57.90 61.93 1aq8 n TYR 203 Cb 0.71 -0.53 0.06 0.00 0.49 0.00 0.00 39.34 40.07 1aq8 n TYR 203 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1aq8 h GLU 204 N 0.00 0.25 -0.47 2.98 3.07 -1.80 -0.70 114.58 117.90 1aq8 h GLU 204 Ca 0.10 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.84 1aq8 h GLU 204 Cb 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1aq8 h GLU 204 CO -0.58 0.16 -0.13 -0.44 -1.40 0.00 0.00 179.01 176.62 1aq8 h ASP 205 N 0.25 0.89 -0.42 1.42 3.45 -1.54 -3.10 116.42 117.37 1aq8 h ASP 205 Ca 0.24 -0.29 -0.05 0.00 0.43 0.00 0.00 57.03 57.36 1aq8 h ASP 205 Cb 0.30 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 1aq8 h ASP 205 CO -0.30 1.02 0.06 0.74 -1.57 0.00 0.00 179.24 179.19 1aq8 h THR 206 N 0.79 1.25 -0.95 0.35 2.02 -0.23 -2.99 112.91 113.15 1aq8 h THR 206 Ca 0.12 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1aq8 h THR 206 Cb 0.65 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 1aq8 h THR 206 CO 0.05 0.31 0.61 0.58 0.37 0.00 0.00 175.52 177.43 1aq8 h VAL 207 N 0.55 1.06 -0.82 3.16 2.07 -1.09 0.90 116.25 122.08 1aq8 h VAL 207 Ca 0.13 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1aq8 h VAL 207 Cb 0.39 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1aq8 h VAL 207 CO 0.01 0.20 0.39 0.11 0.02 0.00 0.00 177.57 178.30 1aq8 h LYS 208 N 1.10 1.18 -0.28 1.57 1.79 -1.46 -1.17 116.57 119.30 1aq8 h LYS 208 Ca 0.42 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.57 1aq8 h LYS 208 Cb 0.19 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1aq8 h LYS 208 CO -0.18 0.91 -0.39 0.28 -1.08 0.00 0.00 179.45 178.99 1aq8 h VAL 209 N 1.17 1.30 -0.83 0.50 2.07 -1.16 -3.15 116.25 116.15 1aq8 h VAL 209 Ca 0.28 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.31 1aq8 h VAL 209 Cb 0.12 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1aq8 h VAL 209 CO -0.04 0.51 0.49 0.24 0.02 0.00 0.00 177.57 178.79 1aq8 h MET 210 N 0.51 0.82 0.00 1.57 2.86 -0.38 -1.93 114.93 118.37 1aq8 h MET 210 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1aq8 h MET 210 Cb 0.98 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1aq8 h MET 210 CO 0.09 0.54 -0.02 0.00 1.06 0.00 0.00 176.91 178.58 1aq8 h ARG 211 N 0.84 0.00 0.00 1.72 3.08 -1.18 -0.02 114.38 118.81 1aq8 h ARG 211 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1aq8 h ARG 211 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1aq8 h ARG 211 CO -0.22 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 178.95 1aq8 n THR 212 N -3.29 0.63 -1.74 2.04 -2.24 -0.73 -4.88 114.28 104.08 1aq8 n THR 212 Ca -0.02 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1aq8 n THR 212 Cb 0.14 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 1aq8 n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aq8 n LEU 213 N -2.07 -1.58 -3.99 3.22 4.77 -0.02 -4.95 117.00 112.38 1aq8 n LEU 213 Ca 0.04 0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 1aq8 n LEU 213 Cb 0.32 -2.84 -0.15 0.00 -2.33 0.00 0.00 43.42 38.43 1aq8 n LEU 213 CO 0.25 -0.92 -0.36 -0.89 -1.33 0.00 0.00 177.39 174.14 1aq8 s THR 214 N -2.81 2.02 0.46 -5.08 2.01 -1.26 -5.11 115.64 105.87 1aq8 s THR 214 Ca 0.00 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 59.76 1aq8 s THR 214 Cb 0.00 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 1aq8 s THR 214 CO 0.00 -0.46 1.25 -2.16 -0.69 0.00 0.00 174.62 172.56 1aq8 s PRO 215 N 1.07 3.69 0.14 4.92 0.04 -1.26 -4.91 135.00 138.69 1aq8 s PRO 215 Ca 0.06 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1aq8 s PRO 215 Cb -0.19 -2.49 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 1aq8 s PRO 215 CO -0.09 -0.67 1.29 1.79 0.04 0.00 0.00 177.00 179.36 1aq8 h THR 216 N 1.97 1.57 -3.57 1.26 1.35 -1.23 -3.46 112.91 110.81 1aq8 h THR 216 Ca -0.50 -3.23 -0.19 0.00 -0.55 0.00 0.00 66.41 61.95 1aq8 h THR 216 Cb 1.26 2.78 -0.25 0.00 -1.73 0.00 0.00 68.15 70.21 1aq8 h THR 216 CO 0.60 0.89 -0.59 -1.00 -0.25 0.00 0.00 175.52 175.17 1aq8 s HIS 217 N -2.75 -0.02 -0.22 4.73 3.76 -1.05 -4.87 115.29 114.87 1aq8 s HIS 217 Ca 0.01 0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1aq8 s HIS 217 Cb 0.10 -0.01 0.07 0.00 1.11 0.00 0.00 32.58 33.84 1aq8 s HIS 217 CO 0.81 -0.12 0.03 0.08 -0.85 0.00 0.00 174.74 174.68 1aq8 s VAL 218 N -0.46 0.80 0.21 -0.90 1.01 -0.78 -0.46 120.40 119.82 1aq8 s VAL 218 Ca -0.05 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1aq8 s VAL 218 Cb -0.03 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1aq8 s VAL 218 CO 0.00 -0.27 -0.14 0.68 0.00 0.00 0.00 175.10 175.38 1aq8 s VAL 219 N 1.72 1.75 -0.18 2.92 -7.23 0.23 -0.46 120.40 119.15 1aq8 s VAL 219 Ca -0.00 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 57.88 1aq8 s VAL 219 Cb -0.18 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1aq8 s VAL 219 CO -0.10 -0.57 0.05 -0.36 -0.31 0.00 0.00 175.10 173.81 1aq8 s PHE 220 N -2.96 3.24 -1.39 2.82 0.08 -1.26 -0.20 117.98 118.31 1aq8 s PHE 220 Ca 0.23 0.06 -0.09 0.00 0.12 0.00 0.00 56.93 57.25 1aq8 s PHE 220 Cb -0.01 -2.06 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1aq8 s PHE 220 CO 0.07 0.17 1.10 -1.71 -0.10 0.00 0.00 175.22 174.75 1aq8 n ASN 221 N 3.45 -5.37 0.00 1.36 2.85 -0.67 -3.37 115.26 113.51 1aq8 n ASN 221 Ca -0.17 -0.62 0.00 0.00 -0.11 0.00 0.00 54.58 53.68 1aq8 n ASN 221 Cb 0.52 -4.70 0.00 0.00 1.24 0.00 0.00 39.78 36.85 1aq8 n ASN 221 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1aq8 n GLY 222 N -1.83 2.79 3.48 8.20 0.00 -0.83 -4.78 105.19 112.22 1aq8 n GLY 222 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1aq8 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 223 N -2.01 -1.49 0.13 4.61 0.00 -1.22 -4.57 121.76 117.22 1aq8 s ALA 223 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 1aq8 s ALA 223 Cb 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1aq8 s ALA 223 CO 0.00 -0.81 1.51 0.08 0.00 0.00 0.00 175.76 176.54 1aq8 s VAL 224 N -3.78 2.97 -0.03 0.00 1.01 0.01 -2.06 120.40 118.52 1aq8 s VAL 224 Ca 0.03 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1aq8 s VAL 224 Cb -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1aq8 s VAL 224 CO -0.10 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1aq8 n GLY 225 N 3.69 0.34 0.28 4.51 0.00 -1.26 -4.83 105.19 107.92 1aq8 n GLY 225 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1aq8 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 h ALA 226 N 0.00 1.07 -1.09 4.61 0.00 -1.62 -2.72 119.26 119.50 1aq8 h ALA 226 Ca -0.01 0.06 -0.77 0.00 0.00 0.00 0.00 54.91 54.19 1aq8 h ALA 226 Cb 0.38 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.85 1aq8 h ALA 226 CO 0.01 -0.04 1.01 1.28 0.00 0.00 0.00 179.25 181.50 1aq8 n LEU 227 N -4.86 7.41 -4.06 0.00 4.77 -1.26 -4.52 117.00 114.48 1aq8 n LEU 227 Ca 0.13 -5.00 -0.08 0.00 -0.03 0.00 0.00 56.01 51.03 1aq8 n LEU 227 Cb 0.31 -1.08 -0.09 0.00 -2.33 0.00 0.00 43.42 40.23 1aq8 n LEU 227 CO 0.24 1.85 -0.28 0.42 -1.33 0.00 0.00 177.39 178.29 1aq8 s THR 228 N -4.90 0.17 0.00 -5.08 -4.23 -1.03 -1.07 115.64 99.50 1aq8 s THR 228 Ca 0.49 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1aq8 s THR 228 Cb 0.37 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1aq8 s THR 228 CO -0.34 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.58 1aq8 n GLY 229 N 0.01 4.26 0.33 3.99 0.00 -1.26 -1.67 105.19 110.85 1aq8 n GLY 229 Ca -0.12 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1aq8 n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1aq8 h ASP 230 N 0.00 0.00 -0.48 1.61 2.03 -1.95 -0.72 116.42 116.91 1aq8 h ASP 230 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1aq8 h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1aq8 h ASP 230 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1aq8 n LYS 231 N -4.21 3.49 -2.20 4.15 5.02 -0.67 -4.98 118.16 118.76 1aq8 n LYS 231 Ca 0.03 -2.75 -0.41 0.00 -2.02 0.00 0.00 58.31 53.16 1aq8 n LYS 231 Cb 0.35 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1aq8 n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aq8 s ALA 232 N -2.06 3.51 0.37 7.82 0.00 -0.28 -3.89 121.76 127.23 1aq8 s ALA 232 Ca 0.44 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 53.29 1aq8 s ALA 232 Cb 0.30 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1aq8 s ALA 232 CO 0.18 -0.54 1.07 -1.64 0.00 0.00 0.00 175.76 174.83 1aq8 s MET 233 N -0.88 4.29 0.23 0.00 -1.94 -0.62 -4.79 119.30 115.59 1aq8 s MET 233 Ca 0.53 1.62 0.08 0.00 -1.71 0.00 0.00 55.69 56.20 1aq8 s MET 233 Cb -0.37 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1aq8 s MET 233 CO 0.44 -0.06 0.07 0.95 -0.01 0.00 0.00 175.02 176.42 1aq8 s THR 234 N -1.50 3.92 0.35 2.05 -4.23 -1.26 -0.35 115.64 114.62 1aq8 s THR 234 Ca 0.54 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 1aq8 s THR 234 Cb -0.26 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1aq8 s THR 234 CO 0.32 -0.29 0.82 0.00 -0.54 0.00 0.00 174.62 174.93 1aq8 s ALA 235 N -2.09 -0.91 -0.03 3.99 0.00 -0.81 -4.90 121.76 117.01 1aq8 s ALA 235 Ca 0.31 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1aq8 s ALA 235 Cb -0.08 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1aq8 s ALA 235 CO 0.22 -1.00 0.20 0.00 0.00 0.00 0.00 175.76 175.17 1aq8 s ALA 236 N -2.46 -0.49 0.14 0.00 0.00 -1.26 -1.57 121.76 116.12 1aq8 s ALA 236 Ca 0.16 0.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.96 1aq8 s ALA 236 Cb -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 23.12 22.90 1aq8 s ALA 236 CO 0.10 -0.19 1.60 0.28 0.00 0.00 0.00 175.76 177.55 1aq8 n VAL 237 N 1.84 0.04 0.00 0.00 0.31 0.50 -0.63 118.33 120.40 1aq8 n VAL 237 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1aq8 n VAL 237 Cb 0.56 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1aq8 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aq8 n GLY 238 N 3.48 2.21 3.76 2.92 0.00 0.57 -4.97 105.19 113.16 1aq8 n GLY 238 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1aq8 n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aq8 s GLU 239 N -0.99 4.74 -0.24 1.61 2.02 0.20 -4.80 118.70 121.22 1aq8 s GLU 239 Ca 0.00 1.39 -0.10 0.00 0.02 0.00 0.00 54.97 56.28 1aq8 s GLU 239 Cb 0.00 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1aq8 s GLU 239 CO 0.00 0.45 0.16 0.15 0.02 0.00 0.00 175.26 176.04 1aq8 s LYS 240 N -1.45 4.04 -0.02 1.61 1.02 -1.26 -1.59 119.74 122.08 1aq8 s LYS 240 Ca 0.43 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1aq8 s LYS 240 Cb -0.23 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1aq8 s LYS 240 CO 0.29 0.04 -0.19 0.08 -0.92 0.00 0.00 175.35 174.65 1aq8 s VAL 241 N 1.12 1.50 -0.24 3.17 1.01 0.41 -0.12 120.40 127.25 1aq8 s VAL 241 Ca 0.07 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1aq8 s VAL 241 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1aq8 s VAL 241 CO 0.05 0.43 0.05 -0.22 0.00 0.00 0.00 175.10 175.41 1aq8 s LEU 242 N -0.36 3.37 -0.43 3.92 2.96 -0.17 -1.20 118.68 126.77 1aq8 s LEU 242 Ca 0.05 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1aq8 s LEU 242 Cb -0.08 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.81 1aq8 s LEU 242 CO -0.00 -0.03 0.26 -0.63 -1.32 0.00 0.00 176.35 174.63 1aq8 s ILE 243 N 1.58 3.99 0.10 6.68 1.01 0.90 -0.84 121.20 134.63 1aq8 s ILE 243 Ca 0.06 -1.64 -0.26 0.00 0.00 0.00 0.00 60.65 58.82 1aq8 s ILE 243 Cb -0.15 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1aq8 s ILE 243 CO 0.03 -0.60 0.79 -0.69 0.00 0.00 0.00 174.94 174.47 1aq8 s VAL 244 N 1.34 4.55 -0.01 2.92 1.01 0.35 -1.38 120.40 129.19 1aq8 s VAL 244 Ca 0.04 1.72 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1aq8 s VAL 244 Cb -0.24 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1aq8 s VAL 244 CO -0.00 0.42 -0.06 -2.28 0.00 0.00 0.00 175.10 173.18 1aq8 s HIS 245 N -0.50 0.58 0.04 5.22 2.46 -0.17 -0.17 115.29 122.74 1aq8 s HIS 245 Ca 0.38 -0.11 -0.00 0.00 0.47 0.00 0.00 55.06 55.80 1aq8 s HIS 245 Cb -0.22 -0.37 -0.03 0.00 -0.13 0.00 0.00 32.58 31.83 1aq8 s HIS 245 CO 0.25 -0.01 -0.04 -1.54 -2.47 0.00 0.00 174.74 170.93 1aq8 s SER 246 N -0.13 0.47 -0.28 9.88 1.04 -0.84 -0.53 113.70 123.31 1aq8 s SER 246 Ca 0.02 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1aq8 s SER 246 Cb -0.03 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.41 1aq8 s SER 246 CO -0.00 -0.46 0.48 -1.58 0.98 0.00 0.00 173.24 172.66 1aq8 s GLN 247 N -2.89 0.46 0.18 4.02 -0.44 -0.95 -1.17 119.66 118.86 1aq8 s GLN 247 Ca -0.02 0.54 0.25 0.00 -2.50 0.00 0.00 55.36 53.63 1aq8 s GLN 247 Cb 0.00 -0.04 0.90 0.00 -1.64 0.00 0.00 33.01 32.24 1aq8 s GLN 247 CO -0.06 -0.83 1.77 0.00 0.50 0.00 0.00 175.29 176.68 1aq8 n ALA 248 N 5.39 2.13 0.00 1.58 0.00 -1.26 0.32 120.51 128.66 1aq8 n ALA 248 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1aq8 n ALA 248 Cb 0.51 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1aq8 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aq8 n ASN 249 N -2.10 1.04 -3.94 0.00 5.15 -1.26 -2.84 115.26 111.32 1aq8 n ASN 249 Ca 0.05 -0.06 -0.09 0.00 -0.60 0.00 0.00 54.58 53.87 1aq8 n ASN 249 Cb 0.36 0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 39.85 1aq8 n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1aq8 s ARG 250 N -0.54 0.52 0.75 1.20 3.52 -1.26 -4.70 118.95 118.44 1aq8 s ARG 250 Ca 0.00 -0.70 -0.14 0.00 -0.13 0.00 0.00 55.73 54.76 1aq8 s ARG 250 Cb 0.00 0.20 0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1aq8 s ARG 250 CO 0.00 -0.12 1.18 -0.51 -0.81 0.00 0.00 175.30 175.03 1aq8 s ASP 251 N -1.93 4.13 0.09 -2.12 -0.00 -1.26 -3.40 116.67 112.18 1aq8 s ASP 251 Ca -0.08 2.24 -0.15 0.00 -0.00 0.00 0.00 52.55 54.56 1aq8 s ASP 251 Cb -0.03 -2.58 0.03 0.00 -0.00 0.00 0.00 42.92 40.34 1aq8 s ASP 251 CO -0.03 -2.30 0.36 0.28 -0.00 0.00 0.00 175.17 173.48 1aq8 s THR 252 N -2.21 0.08 -0.43 -1.27 -1.32 -0.13 -4.85 115.64 105.50 1aq8 s THR 252 Ca 0.71 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 60.59 1aq8 s THR 252 Cb -0.26 -1.13 0.19 0.00 -1.51 0.00 0.00 72.50 69.80 1aq8 s THR 252 CO 0.48 -0.36 0.41 -2.11 -2.21 0.00 0.00 174.62 170.82 1aq8 n ARG 253 N 0.03 0.49 -1.63 7.08 1.85 -1.26 -0.44 116.66 122.78 1aq8 n ARG 253 Ca -0.17 -3.32 -0.41 0.00 -1.00 0.00 0.00 57.85 52.96 1aq8 n ARG 253 Cb 0.62 -1.61 0.01 0.00 -1.05 0.00 0.00 32.46 30.43 1aq8 n ARG 253 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1aq8 n PRO 254 N 2.37 1.48 -3.68 2.89 -0.02 -1.13 -0.43 135.00 136.48 1aq8 n PRO 254 Ca 0.27 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 1aq8 n PRO 254 Cb 0.48 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 1aq8 n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1aq8 s HIS 255 N -1.26 -0.77 -0.50 6.00 2.46 0.43 -1.97 115.29 119.67 1aq8 s HIS 255 Ca 0.63 1.59 -0.17 0.00 0.47 0.00 0.00 55.06 57.58 1aq8 s HIS 255 Cb -0.54 0.40 0.07 0.00 -0.13 0.00 0.00 32.58 32.39 1aq8 s HIS 255 CO 0.56 -0.41 0.54 -1.17 -2.47 0.00 0.00 174.74 171.79 1aq8 s LEU 256 N 1.53 5.35 -0.13 8.88 2.96 -1.26 -0.82 118.68 135.19 1aq8 s LEU 256 Ca -0.09 -1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 52.33 1aq8 s LEU 256 Cb -0.07 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 1aq8 s LEU 256 CO -0.15 -0.82 1.74 -0.63 -1.32 0.00 0.00 176.35 175.17 1aq8 s ILE 257 N 2.18 3.49 0.00 6.68 -1.09 0.95 -1.41 121.20 132.01 1aq8 s ILE 257 Ca 0.10 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1aq8 s ILE 257 Cb -0.22 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1aq8 s ILE 257 CO 0.09 -0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 1aq8 n GLY 258 N 4.59 0.10 0.00 6.18 0.00 -1.26 -3.53 105.19 111.27 1aq8 n GLY 258 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1aq8 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 259 N -1.91 5.65 2.05 -0.02 0.00 -0.50 -4.98 105.19 105.48 1aq8 n GLY 259 Ca 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 1aq8 n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1aq8 n HIS 260 N 0.00 -1.24 -3.87 1.61 -0.00 -1.26 -4.71 115.22 105.75 1aq8 n HIS 260 Ca 0.00 -1.31 -0.32 0.00 -0.00 0.00 0.00 57.72 56.08 1aq8 n HIS 260 Cb 0.00 0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.25 1aq8 n HIS 260 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1aq8 s GLY 261 N -2.27 2.47 0.25 -1.41 0.00 0.17 -4.79 107.32 101.75 1aq8 s GLY 261 Ca 0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 44.72 41.55 1aq8 s GLY 261 CO 0.11 1.04 1.70 -0.55 0.00 0.00 0.00 173.10 175.40 1aq8 h ASP 262 N 6.66 0.12 -3.37 1.64 3.32 -1.66 -0.48 116.42 122.66 1aq8 h ASP 262 Ca -0.06 0.13 -0.39 0.00 0.02 0.00 0.00 57.03 56.74 1aq8 h ASP 262 Cb 0.91 0.16 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 1aq8 h ASP 262 CO 0.70 0.01 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.16 1aq8 s TYR 263 N -6.02 0.44 -0.17 4.55 1.51 -0.88 -2.03 117.35 114.74 1aq8 s TYR 263 Ca -0.13 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1aq8 s TYR 263 Cb 0.21 -0.60 0.05 0.00 -0.11 0.00 0.00 41.96 41.52 1aq8 s TYR 263 CO 0.76 -0.22 -0.02 0.08 -1.11 0.00 0.00 175.55 175.04 1aq8 s VAL 264 N 1.58 0.90 -1.26 0.71 1.01 0.83 -0.27 120.40 123.90 1aq8 s VAL 264 Ca -0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1aq8 s VAL 264 Cb -0.13 -1.20 0.12 0.00 0.00 0.00 0.00 36.38 35.17 1aq8 s VAL 264 CO -0.03 0.01 1.60 0.79 0.00 0.00 0.00 175.10 177.47 1aq8 n TRP 265 N 4.93 4.81 -0.35 5.22 8.01 -0.02 -0.38 117.44 139.66 1aq8 n TRP 265 Ca -0.10 -3.08 0.13 0.00 -1.31 0.00 0.00 57.50 53.13 1aq8 n TRP 265 Cb 0.47 -2.43 0.32 0.00 -2.01 0.00 0.00 31.31 27.67 1aq8 n TRP 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1aq8 h ALA 266 N 7.36 1.69 0.00 6.99 0.00 -1.90 0.20 119.26 133.60 1aq8 h ALA 266 Ca 0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1aq8 h ALA 266 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1aq8 h ALA 266 CO 1.36 -0.05 -0.08 0.25 0.00 0.00 0.00 179.25 180.74 1aq8 n THR 267 N -4.73 0.24 -0.51 0.00 -2.24 -1.26 -4.54 114.28 101.23 1aq8 n THR 267 Ca 0.23 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1aq8 n THR 267 Cb 0.56 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1aq8 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aq8 n GLY 268 N 1.42 1.62 3.58 3.38 0.00 0.69 -4.66 105.19 111.21 1aq8 n GLY 268 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1aq8 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq8 s LYS 269 N -0.13 3.81 0.57 1.61 -0.14 -1.26 -0.85 119.74 123.35 1aq8 s LYS 269 Ca 0.00 -0.27 0.32 0.00 -1.36 0.00 0.00 55.97 54.66 1aq8 s LYS 269 Cb 0.00 -3.72 1.74 0.00 -1.68 0.00 0.00 37.83 34.17 1aq8 s LYS 269 CO 0.00 -0.34 2.18 0.74 -0.76 0.00 0.00 175.35 177.17 1aq8 h PHE 270 N 8.35 0.00 -0.00 3.18 0.05 -1.86 -1.18 116.94 125.48 1aq8 h PHE 270 Ca -0.32 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.47 1aq8 h PHE 270 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.11 1aq8 h PHE 270 CO 0.73 0.05 -0.02 0.09 -0.18 0.00 0.00 178.31 178.98 1aq8 n ASN 271 N -3.57 0.04 -4.40 2.17 3.02 -1.26 -4.48 115.26 106.78 1aq8 n ASN 271 Ca -0.02 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1aq8 n ASN 271 Cb 0.16 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1aq8 n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aq8 s THR 272 N -2.75 4.83 0.13 3.41 2.01 -0.45 -5.05 115.64 117.77 1aq8 s THR 272 Ca 0.22 -0.84 -0.33 0.00 0.31 0.00 0.00 61.69 61.06 1aq8 s THR 272 Cb 0.20 -3.72 -0.18 0.00 0.01 0.00 0.00 72.50 68.81 1aq8 s THR 272 CO 0.50 -0.30 0.78 -2.65 -0.69 0.00 0.00 174.62 172.26 1aq8 n PRO 273 N 5.06 0.14 -2.56 4.92 -0.02 -1.26 -4.80 135.00 136.48 1aq8 n PRO 273 Ca -0.11 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.07 1aq8 n PRO 273 Cb 0.46 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 1aq8 n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1aq8 s PRO 274 N -0.62 3.98 0.58 0.52 0.04 -1.26 -4.88 135.00 133.36 1aq8 s PRO 274 Ca 0.74 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 1aq8 s PRO 274 Cb -1.03 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1aq8 s PRO 274 CO 0.56 -0.28 1.02 -0.51 0.04 0.00 0.00 177.00 177.83 1aq8 s ASP 275 N -1.82 6.17 0.17 6.66 1.01 0.48 -4.71 116.67 124.63 1aq8 s ASP 275 Ca 0.63 1.60 0.09 0.00 0.71 0.00 0.00 52.55 55.58 1aq8 s ASP 275 Cb -0.18 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1aq8 s ASP 275 CO 0.23 -0.90 -0.20 0.68 0.21 0.00 0.00 175.17 175.18 1aq8 s VAL 276 N -2.77 1.96 -1.46 -1.27 -7.23 -1.26 -0.12 120.40 108.25 1aq8 s VAL 276 Ca 0.59 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1aq8 s VAL 276 Cb -0.12 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.95 1aq8 s VAL 276 CO 0.41 -0.25 0.76 0.47 -0.31 0.00 0.00 175.10 176.18 1aq8 n ASP 277 N 0.33 -5.45 -4.75 4.85 10.43 -0.86 -4.94 116.55 116.16 1aq8 n ASP 277 Ca -0.13 -0.44 -0.41 0.00 2.57 0.00 0.00 54.79 56.37 1aq8 n ASP 277 Cb 0.57 -4.38 -0.03 0.00 1.84 0.00 0.00 41.12 39.11 1aq8 n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1aq8 s GLN 278 N -6.05 4.48 -0.22 -1.24 -1.52 -0.20 -4.82 119.66 110.09 1aq8 s GLN 278 Ca 0.44 1.97 -0.12 0.00 -1.95 0.00 0.00 55.36 55.70 1aq8 s GLN 278 Cb -0.21 -3.18 -0.18 0.00 -0.22 0.00 0.00 33.01 29.22 1aq8 s GLN 278 CO 0.55 -0.05 -0.00 -0.85 -0.25 0.00 0.00 175.29 174.68 1aq8 n GLU 279 N 1.75 0.63 -3.70 2.91 0.28 -1.26 -0.66 120.64 120.59 1aq8 n GLU 279 Ca 0.02 0.34 -0.14 0.00 -0.16 0.00 0.00 57.16 57.22 1aq8 n GLU 279 Cb 0.44 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.54 1aq8 n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1aq8 s THR 280 N -2.47 -0.21 0.46 3.84 2.01 -1.26 -4.31 115.64 113.69 1aq8 s THR 280 Ca -0.32 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1aq8 s THR 280 Cb 0.09 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.27 1aq8 s THR 280 CO 0.60 0.11 0.48 -1.66 -0.69 0.00 0.00 174.62 173.45 1aq8 s TRP 281 N 1.88 2.38 -0.06 4.92 -2.14 -0.83 -4.99 118.94 120.10 1aq8 s TRP 281 Ca -0.03 -0.56 0.03 0.00 2.66 0.00 0.00 56.10 58.20 1aq8 s TRP 281 Cb -0.12 -2.18 0.01 0.00 -3.10 0.00 0.00 33.47 28.09 1aq8 s TRP 281 CO -0.07 -0.38 -0.13 0.12 -2.66 0.00 0.00 176.95 173.83 1aq8 s PHE 282 N -2.52 1.50 -0.24 1.66 5.36 -1.26 -2.82 117.98 119.65 1aq8 s PHE 282 Ca 0.49 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1aq8 s PHE 282 Cb -0.05 -1.08 0.06 0.00 -0.34 0.00 0.00 43.02 41.62 1aq8 s PHE 282 CO 0.29 -0.26 -0.05 0.42 -1.46 0.00 0.00 175.22 174.16 1aq8 s ILE 283 N 0.54 1.58 0.71 3.12 1.01 0.42 -4.79 121.20 123.79 1aq8 s ILE 283 Ca -0.13 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 1aq8 s ILE 283 Cb -0.15 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1aq8 s ILE 283 CO 0.04 -0.11 1.15 -2.16 0.00 0.00 0.00 174.94 173.86 1aq8 s PRO 284 N 1.37 2.37 0.28 2.79 0.04 -1.26 -0.96 135.00 139.63 1aq8 s PRO 284 Ca -0.06 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1aq8 s PRO 284 Cb -0.19 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1aq8 s PRO 284 CO -0.06 -1.61 1.58 0.20 0.04 0.00 0.00 177.00 177.14 1aq8 s GLY 285 N -2.38 2.10 0.00 0.56 0.00 -1.22 -2.23 107.32 104.15 1aq8 s GLY 285 Ca 0.70 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.96 1aq8 s GLY 285 CO 0.45 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.69 1aq8 n GLY 286 N 2.25 0.82 3.27 0.20 0.00 0.15 -4.77 105.19 107.12 1aq8 n GLY 286 Ca 0.08 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1aq8 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 287 N -2.00 1.38 0.03 4.61 0.00 -0.95 -4.76 121.76 120.07 1aq8 s ALA 287 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1aq8 s ALA 287 Cb 0.00 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.49 1aq8 s ALA 287 CO 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 175.76 175.07 1aq8 s ALA 288 N -3.76 0.32 0.27 0.00 0.00 -1.26 -2.25 121.76 115.08 1aq8 s ALA 288 Ca 0.38 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1aq8 s ALA 288 Cb 0.04 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1aq8 s ALA 288 CO 0.19 -0.17 0.15 0.20 0.00 0.00 0.00 175.76 176.13 1aq8 s GLY 289 N -1.82 1.86 -0.03 0.00 0.00 0.31 -3.11 107.32 104.53 1aq8 s GLY 289 Ca -0.09 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.81 1aq8 s GLY 289 CO -0.03 -1.54 0.08 0.00 0.00 0.00 0.00 173.10 171.62 1aq8 s ALA 290 N -3.76 -0.18 -0.10 3.20 0.00 -1.09 -1.00 121.76 118.84 1aq8 s ALA 290 Ca 0.37 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1aq8 s ALA 290 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1aq8 s ALA 290 CO 0.16 -0.06 -0.18 0.00 0.00 0.00 0.00 175.76 175.68 1aq8 s ALA 291 N 0.32 1.77 -0.18 0.00 0.00 -0.48 -0.84 121.76 122.35 1aq8 s ALA 291 Ca -0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1aq8 s ALA 291 Cb -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1aq8 s ALA 291 CO -0.01 0.11 0.06 0.12 0.00 0.00 0.00 175.76 176.03 1aq8 s PHE 292 N 0.66 3.24 -0.11 0.00 2.19 0.62 -0.07 117.98 124.52 1aq8 s PHE 292 Ca -0.13 0.06 -0.12 0.00 0.33 0.00 0.00 56.93 57.06 1aq8 s PHE 292 Cb -0.16 -2.08 0.03 0.00 -1.31 0.00 0.00 43.02 39.50 1aq8 s PHE 292 CO 0.03 0.14 0.34 -0.47 1.83 0.00 0.00 175.22 177.09 1aq8 s TYR 293 N 0.38 -0.35 -0.29 10.12 5.04 -0.34 -1.91 117.35 130.00 1aq8 s TYR 293 Ca 0.03 0.83 -0.06 0.00 -2.44 0.00 0.00 57.07 55.43 1aq8 s TYR 293 Cb -0.12 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.32 1aq8 s TYR 293 CO 0.00 -0.21 0.07 0.99 -1.34 0.00 0.00 175.55 175.07 1aq8 s THR 294 N -0.01 3.90 0.29 4.34 2.01 -1.26 -0.44 115.64 124.47 1aq8 s THR 294 Ca -0.02 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1aq8 s THR 294 Cb -0.03 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1aq8 s THR 294 CO 0.01 0.10 1.45 -0.36 -0.69 0.00 0.00 174.62 175.13 1aq8 s PHE 295 N 1.49 2.93 -0.01 4.92 0.40 -0.62 -4.88 117.98 122.20 1aq8 s PHE 295 Ca 0.03 1.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.46 1aq8 s PHE 295 Cb -0.17 -3.86 -0.05 0.00 0.51 0.00 0.00 43.02 39.44 1aq8 s PHE 295 CO 0.02 -2.73 0.06 1.04 0.70 0.00 0.00 175.22 174.31 1aq8 n GLN 296 N 1.83 0.83 -4.66 0.44 1.13 -1.26 -0.32 117.38 115.37 1aq8 n GLN 296 Ca 0.05 -0.03 -0.25 0.00 -1.94 0.00 0.00 57.00 54.84 1aq8 n GLN 296 Cb 0.40 -1.08 -0.14 0.00 0.11 0.00 0.00 30.24 29.52 1aq8 n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1aq8 s GLN 297 N -2.21 1.36 0.89 -1.09 -1.52 -1.26 -4.56 119.66 111.27 1aq8 s GLN 297 Ca -0.01 -0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 52.39 1aq8 s GLN 297 Cb 0.02 -1.44 0.16 0.00 -0.22 0.00 0.00 33.01 31.53 1aq8 s GLN 297 CO 0.14 0.37 1.25 -1.25 -0.25 0.00 0.00 175.29 175.55 1aq8 s PRO 298 N -1.05 1.13 0.00 2.91 0.04 -1.26 -4.77 135.00 132.00 1aq8 s PRO 298 Ca 0.07 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1aq8 s PRO 298 Cb -0.08 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1aq8 s PRO 298 CO 0.01 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1aq8 n GLY 299 N -3.55 -1.35 3.83 0.56 0.00 0.34 -4.92 105.19 100.10 1aq8 n GLY 299 Ca 0.13 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1aq8 n GLY 299 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aq8 s ILE 300 N -0.17 5.12 0.13 -0.61 -5.25 -1.26 -0.54 121.20 118.62 1aq8 s ILE 300 Ca 0.00 0.75 0.11 0.00 -0.99 0.00 0.00 60.65 60.51 1aq8 s ILE 300 Cb 0.00 -3.67 -0.04 0.00 2.95 0.00 0.00 42.46 41.70 1aq8 s ILE 300 CO 0.00 0.55 -0.26 -0.31 -1.79 0.00 0.00 174.94 173.14 1aq8 s TYR 301 N -0.85 2.24 -0.24 1.37 1.51 0.67 -4.94 117.35 117.11 1aq8 s TYR 301 Ca 0.22 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1aq8 s TYR 301 Cb -0.16 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1aq8 s TYR 301 CO 0.11 0.34 -0.06 0.00 -1.11 0.00 0.00 175.55 174.83 1aq8 s ALA 302 N -1.14 2.73 -0.31 3.71 0.00 -1.23 -0.44 121.76 125.09 1aq8 s ALA 302 Ca 0.14 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 1aq8 s ALA 302 Cb -0.10 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1aq8 s ALA 302 CO 0.06 -0.68 0.37 -0.47 0.00 0.00 0.00 175.76 175.05 1aq8 s TYR 303 N 1.38 3.22 0.18 0.00 5.04 0.47 -0.03 117.35 127.60 1aq8 s TYR 303 Ca 0.02 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1aq8 s TYR 303 Cb -0.16 -2.64 -0.04 0.00 0.35 0.00 0.00 41.96 39.47 1aq8 s TYR 303 CO -0.04 -0.34 0.06 0.14 -1.34 0.00 0.00 175.55 174.02 1aq8 s VAL 304 N 2.07 0.36 -0.31 3.14 -7.23 -0.00 -0.37 120.40 118.06 1aq8 s VAL 304 Ca 0.14 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 1aq8 s VAL 304 Cb -0.16 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1aq8 s VAL 304 CO 0.11 -0.32 0.80 0.21 -0.31 0.00 0.00 175.10 175.59 1aq8 s ASN 305 N -3.15 6.67 0.00 4.85 3.84 -1.13 -0.43 114.94 125.59 1aq8 s ASN 305 Ca 0.29 0.66 0.00 0.00 0.21 0.00 0.00 52.86 54.02 1aq8 s ASN 305 Cb 0.07 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 1aq8 s ASN 305 CO 0.06 -0.63 0.26 1.57 -2.79 0.00 0.00 177.10 175.57 1aq8 n HIS 306 N 6.25 0.00 -3.34 0.43 -0.00 0.43 -3.98 115.22 115.01 1aq8 n HIS 306 Ca 0.04 -0.05 -0.47 0.00 -0.00 0.00 0.00 57.72 57.25 1aq8 n HIS 306 Cb 0.48 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 1aq8 n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1aq8 s ASN 307 N -0.22 6.64 0.61 0.26 3.84 -1.26 -4.90 114.94 119.91 1aq8 s ASN 307 Ca 0.00 -2.57 0.27 0.00 0.21 0.00 0.00 52.86 50.77 1aq8 s ASN 307 Cb 0.00 -2.20 1.12 0.00 -0.55 0.00 0.00 41.25 39.62 1aq8 s ASN 307 CO 0.00 -0.61 1.53 -0.07 -2.79 0.00 0.00 177.10 175.16 1aq8 h LEU 308 N 7.91 0.00 -0.11 3.21 3.38 -1.99 0.50 115.31 128.22 1aq8 h LEU 308 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1aq8 h LEU 308 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1aq8 h LEU 308 CO 0.79 0.00 -0.32 0.40 0.09 0.00 0.00 178.44 179.40 1aq8 h ILE 309 N 0.00 1.39 -0.46 1.22 2.04 -1.90 0.10 117.51 119.89 1aq8 h ILE 309 Ca 0.36 -1.65 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 1aq8 h ILE 309 Cb 2.18 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 40.41 1aq8 h ILE 309 CO -0.00 0.48 -0.12 -0.33 0.00 0.00 0.00 178.15 178.18 1aq8 h GLU 310 N -0.03 0.86 0.34 2.37 5.08 -0.41 0.12 114.58 122.91 1aq8 h GLU 310 Ca -0.01 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1aq8 h GLU 310 Cb 0.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1aq8 h GLU 310 CO 0.07 0.93 -0.16 0.00 -1.00 0.00 0.00 179.01 178.85 1aq8 h ALA 311 N 1.09 -0.46 -0.00 3.43 0.00 -1.04 -1.58 119.26 120.70 1aq8 h ALA 311 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1aq8 h ALA 311 Cb 0.63 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1aq8 h ALA 311 CO 0.04 -0.55 -0.79 1.19 0.00 0.00 0.00 179.25 179.14 1aq8 n PHE 312 N -5.13 0.00 -0.06 0.00 3.01 0.02 -2.01 117.46 113.29 1aq8 n PHE 312 Ca -0.09 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.29 1aq8 n PHE 312 Cb 0.27 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.60 1aq8 n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1aq8 n GLU 313 N -1.41 0.31 0.04 -1.08 -0.58 0.34 -4.70 120.64 113.56 1aq8 n GLU 313 Ca 0.05 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1aq8 n GLU 313 Cb 0.34 -1.23 0.16 0.00 -0.57 0.00 0.00 31.44 30.13 1aq8 n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1aq8 n LEU 314 N -2.83 0.64 0.00 -4.62 4.32 -0.62 -4.99 117.00 108.89 1aq8 n LEU 314 Ca -0.20 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1aq8 n LEU 314 Cb 0.72 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1aq8 n LEU 314 CO 0.12 -0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 1aq8 n GLY 315 N 1.37 0.75 2.62 -0.72 0.00 -0.84 -1.86 105.19 106.51 1aq8 n GLY 315 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1aq8 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 n ALA 316 N -1.26 6.15 -3.39 4.61 0.00 0.39 -4.23 120.51 122.78 1aq8 n ALA 316 Ca 0.00 -3.88 -0.13 0.00 0.00 0.00 0.00 53.44 49.43 1aq8 n ALA 316 Cb 0.00 -3.35 -0.14 0.00 0.00 0.00 0.00 19.45 15.96 1aq8 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aq8 s ALA 317 N 2.15 -0.24 0.26 0.00 0.00 -1.24 -2.82 121.76 119.86 1aq8 s ALA 317 Ca 0.52 0.48 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1aq8 s ALA 317 Cb 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1aq8 s ALA 317 CO -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 175.76 175.57 1aq8 s ALA 318 N 0.65 2.04 0.18 0.00 0.00 0.50 -4.47 121.76 120.67 1aq8 s ALA 318 Ca -0.05 -1.84 0.08 0.00 0.00 0.00 0.00 51.96 50.15 1aq8 s ALA 318 Cb -0.07 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1aq8 s ALA 318 CO -0.03 -0.19 -0.17 -1.01 0.00 0.00 0.00 175.76 174.36 1aq8 s HIS 319 N -3.26 1.75 -0.09 0.00 3.76 -0.24 -0.40 115.29 116.82 1aq8 s HIS 319 Ca 0.29 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 1aq8 s HIS 319 Cb 0.05 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1aq8 s HIS 319 CO 0.10 0.33 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.18 1aq8 s PHE 320 N -2.37 1.36 -0.38 1.40 0.08 0.42 -1.59 117.98 116.90 1aq8 s PHE 320 Ca 0.18 -0.59 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1aq8 s PHE 320 Cb -0.04 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1aq8 s PHE 320 CO 0.06 -0.40 0.22 0.15 -0.10 0.00 0.00 175.22 175.15 1aq8 s LYS 321 N 1.31 2.79 -0.13 0.44 1.02 0.53 -0.24 119.74 125.47 1aq8 s LYS 321 Ca -0.03 -1.13 -0.03 0.00 0.02 0.00 0.00 55.97 54.79 1aq8 s LYS 321 Cb -0.14 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1aq8 s LYS 321 CO -0.03 -0.74 -0.00 0.08 -0.92 0.00 0.00 175.35 173.73 1aq8 s VAL 322 N 1.54 4.22 0.25 3.17 1.01 0.30 -1.92 120.40 128.97 1aq8 s VAL 322 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1aq8 s VAL 322 Cb -0.20 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1aq8 s VAL 322 CO 0.06 0.54 0.36 0.42 0.00 0.00 0.00 175.10 176.48 1aq8 s THR 323 N -0.18 5.09 -4.85 3.92 -4.23 -0.61 -0.51 115.64 114.28 1aq8 s THR 323 Ca 0.05 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1aq8 s THR 323 Cb -0.13 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1aq8 s THR 323 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1aq8 n GLY 324 N -1.42 1.00 3.89 3.99 0.00 -1.26 -0.37 105.19 111.01 1aq8 n GLY 324 Ca -0.08 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1aq8 n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aq8 s GLU 325 N -1.53 3.52 0.40 1.61 2.12 -1.26 -4.72 118.70 118.84 1aq8 s GLU 325 Ca 0.00 -0.17 -0.24 0.00 0.36 0.00 0.00 54.97 54.93 1aq8 s GLU 325 Cb 0.00 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 1aq8 s GLU 325 CO 0.00 0.67 1.07 -0.46 -0.54 0.00 0.00 175.26 176.00 1aq8 s TRP 326 N -1.28 3.22 -0.40 5.30 -0.11 -1.26 -4.27 118.94 120.14 1aq8 s TRP 326 Ca 0.26 1.63 -0.05 0.00 1.22 0.00 0.00 56.10 59.15 1aq8 s TRP 326 Cb -0.13 -3.16 0.09 0.00 -1.50 0.00 0.00 33.47 28.77 1aq8 s TRP 326 CO 0.16 -0.75 0.20 1.21 -4.62 0.00 0.00 176.95 173.15 1aq8 s ASN 327 N -1.52 5.37 0.12 5.86 3.84 -1.26 -4.95 114.94 122.39 1aq8 s ASN 327 Ca 0.58 -1.71 0.22 0.00 0.21 0.00 0.00 52.86 52.16 1aq8 s ASN 327 Cb -0.23 -1.88 0.88 0.00 -0.55 0.00 0.00 41.25 39.47 1aq8 s ASN 327 CO 0.29 -0.51 1.69 0.47 -2.79 0.00 0.00 177.10 176.25 1aq8 n ASP 328 N 4.74 0.36 0.07 -4.21 9.92 -1.25 -2.54 116.55 123.63 1aq8 n ASP 328 Ca -0.07 0.57 -0.17 0.00 -0.53 0.00 0.00 54.79 54.59 1aq8 n ASP 328 Cb 0.42 -0.65 -0.08 0.00 -0.64 0.00 0.00 41.12 40.17 1aq8 n ASP 328 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1aq8 h ASP 329 N 0.00 0.67 0.10 -2.24 -0.00 -2.02 -3.30 116.42 109.63 1aq8 h ASP 329 Ca 0.00 -0.57 -0.27 0.00 -0.00 0.00 0.00 57.03 56.19 1aq8 h ASP 329 Cb 0.42 -0.21 0.02 0.00 -0.00 0.00 0.00 39.33 39.56 1aq8 h ASP 329 CO 0.00 1.38 -1.06 -0.07 -0.00 0.00 0.00 179.24 179.49 1aq8 h LEU 330 N 0.26 0.83 -7.04 2.28 3.38 -1.96 -3.46 115.31 109.59 1aq8 h LEU 330 Ca -0.12 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.12 1aq8 h LEU 330 Cb 1.72 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 42.00 1aq8 h LEU 330 CO 0.19 1.49 0.08 -0.32 0.09 0.00 0.00 178.44 179.97 1aq8 s MET 331 N -3.24 0.80 -0.15 1.13 0.00 -1.05 -5.14 119.30 111.64 1aq8 s MET 331 Ca -0.09 0.92 -0.23 0.00 0.00 0.00 0.00 55.69 56.29 1aq8 s MET 331 Cb 0.07 0.39 0.06 0.00 0.00 0.00 0.00 34.83 35.35 1aq8 s MET 331 CO 0.91 -0.10 0.60 -0.08 0.00 0.00 0.00 175.02 176.35 1aq8 s THR 332 N 0.31 0.01 -0.75 10.11 -1.32 -1.26 -3.94 115.64 118.81 1aq8 s THR 332 Ca -0.00 -0.06 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1aq8 s THR 332 Cb -0.05 -0.87 0.07 0.00 -1.51 0.00 0.00 72.50 70.15 1aq8 s THR 332 CO 0.01 -0.03 1.08 -0.55 -2.21 0.00 0.00 174.62 172.92 1aq8 s SER 333 N -0.32 6.28 0.17 8.08 0.15 -1.26 -4.86 113.70 121.94 1aq8 s SER 333 Ca -0.05 -1.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.35 1aq8 s SER 333 Cb -0.03 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.91 1aq8 s SER 333 CO 0.04 -1.43 1.70 0.58 1.20 0.00 0.00 173.24 175.33 1aq8 h VAL 334 N 6.02 1.25 -2.88 4.45 2.07 -2.01 -3.39 116.25 121.75 1aq8 h VAL 334 Ca -0.17 -0.84 -0.51 0.00 0.82 0.00 0.00 66.70 66.00 1aq8 h VAL 334 Cb 1.05 0.64 -0.40 0.00 -1.52 0.00 0.00 31.29 31.06 1aq8 h VAL 334 CO 1.20 0.32 -0.77 -0.22 0.02 0.00 0.00 177.57 178.12 1aq8 s LEU 335 N -9.64 0.51 0.76 2.57 2.96 -1.26 -5.14 118.68 109.44 1aq8 s LEU 335 Ca -0.13 -1.07 -0.15 0.00 -0.22 0.00 0.00 54.13 52.56 1aq8 s LEU 335 Cb 0.13 -0.32 0.06 0.00 0.50 0.00 0.00 46.19 46.55 1aq8 s LEU 335 CO 0.81 -0.41 1.23 0.00 -1.32 0.00 0.00 176.35 176.66 1aq8 s ALA 336 N 2.10 2.00 -0.41 5.97 0.00 -1.26 -4.79 121.76 125.37 1aq8 s ALA 336 Ca 0.07 0.94 -0.42 0.00 0.00 0.00 0.00 51.96 52.54 1aq8 s ALA 336 Cb -0.16 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.29 1aq8 s ALA 336 CO -0.28 -2.08 1.91 -2.30 0.00 0.00 0.00 175.76 173.01 1aq8 n PRO 337 N -2.90 0.53 -4.00 0.00 -0.02 -1.26 -4.90 135.00 122.45 1aq8 n PRO 337 Ca 0.14 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 1aq8 n PRO 337 Cb 0.50 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 1aq8 n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1aq8 s SER 338 N 4.83 0.71 0.00 2.55 1.04 -1.26 -5.29 113.70 116.28 1aq8 s SER 338 Ca 1.08 -1.43 0.12 0.00 0.48 0.00 0.00 55.95 56.21 1aq8 s SER 338 Cb -1.26 0.74 0.72 0.00 0.10 0.00 0.00 66.02 66.33 1aq8 s SER 338 CO 0.67 -1.46 1.16 0.61 0.98 0.00 0.00 173.24 175.19