#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppa s THR 5 N 0.00 3.04 0.26 0.00 -4.23 -1.26 -4.86 115.64 108.59 2ppa s THR 5 Ca 0.00 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2ppa s THR 5 Cb 0.00 -3.29 0.24 0.00 1.34 0.00 0.00 72.50 70.79 2ppa s THR 5 CO 0.00 -0.34 1.82 0.00 -0.54 0.00 0.00 174.62 175.56 2ppa h ALA 6 N -0.56 1.32 -0.43 3.99 0.00 -2.05 -1.45 119.26 120.09 2ppa h ALA 6 Ca -0.45 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2ppa h ALA 6 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2ppa h ALA 6 CO 0.62 0.16 0.16 0.00 0.00 0.00 0.00 179.25 180.19 2ppa h ALA 7 N 1.49 0.56 -0.70 0.00 0.00 -1.99 -0.90 119.26 117.73 2ppa h ALA 7 Ca 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2ppa h ALA 7 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2ppa h ALA 7 CO -0.26 0.18 0.30 0.93 0.00 0.00 0.00 179.25 180.40 2ppa h GLU 8 N 0.55 1.03 -0.62 0.00 5.08 -1.81 -2.37 114.58 116.43 2ppa h GLU 8 Ca 0.14 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2ppa h GLU 8 Cb 0.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2ppa h GLU 8 CO -0.01 0.84 0.07 0.82 -1.00 0.00 0.00 179.01 179.73 2ppa h ILE 9 N 0.98 1.26 0.00 3.13 2.04 -1.09 -2.69 117.51 121.15 2ppa h ILE 9 Ca 0.23 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2ppa h ILE 9 Cb 0.18 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2ppa h ILE 9 CO -0.02 0.39 -0.06 0.00 0.00 0.00 0.00 178.15 178.46 2ppa h ALA 10 N 1.02 1.87 -0.00 1.87 0.00 -0.95 -1.94 119.26 121.12 2ppa h ALA 10 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ppa h ALA 10 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ppa h ALA 10 CO 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 2ppa n ALA 11 N -2.51 2.43 -1.79 0.00 0.00 -0.91 -4.89 120.51 112.83 2ppa n ALA 11 Ca -0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 2ppa n ALA 11 Cb 0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 2ppa n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ppa s LEU 12 N -2.90 3.90 0.51 0.00 1.43 -0.73 -5.00 118.68 115.89 2ppa s LEU 12 Ca 0.17 1.95 -0.23 0.00 -1.03 0.00 0.00 54.13 54.99 2ppa s LEU 12 Cb 0.19 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 2ppa s LEU 12 CO 0.52 -0.72 1.34 -2.84 0.23 0.00 0.00 176.35 174.89 2ppa s PRO 13 N -3.09 3.38 -0.10 1.29 0.02 -1.26 -4.77 135.00 130.47 2ppa s PRO 13 Ca 0.65 2.21 -0.03 0.00 0.02 0.00 0.00 61.00 63.85 2ppa s PRO 13 Cb -0.17 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 2ppa s PRO 13 CO 0.21 -0.99 0.03 1.03 -0.33 0.00 0.00 177.00 176.95 2ppa s ARG 14 N -2.75 3.18 -0.13 5.54 3.00 -1.26 -0.90 118.95 125.63 2ppa s ARG 14 Ca 0.67 -0.36 -0.00 0.00 0.00 0.00 0.00 55.73 56.05 2ppa s ARG 14 Cb -0.39 -2.90 0.03 0.00 0.00 0.00 0.00 34.95 31.68 2ppa s ARG 14 CO 0.48 0.66 -0.08 -1.14 0.00 0.00 0.00 175.30 175.22 2ppa s GLN 15 N -0.76 1.63 -0.14 3.54 0.74 -0.76 -4.96 119.66 118.96 2ppa s GLN 15 Ca 0.12 -0.35 -0.22 0.00 0.05 0.00 0.00 55.36 54.96 2ppa s GLN 15 Cb -0.12 -1.75 -0.03 0.00 1.10 0.00 0.00 33.01 32.21 2ppa s GLN 15 CO 0.02 -0.29 0.67 0.21 -0.55 0.00 0.00 175.29 175.35 2ppa s LYS 16 N 1.66 4.32 -0.11 1.67 2.47 -1.26 -0.58 119.74 127.91 2ppa s LYS 16 Ca 0.04 0.76 -0.01 0.00 -1.56 0.00 0.00 55.97 55.20 2ppa s LYS 16 Cb -0.13 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2ppa s LYS 16 CO -0.08 -0.10 -0.07 0.08 0.16 0.00 0.00 175.35 175.33 2ppa s VAL 17 N 1.42 3.67 -0.32 4.02 1.01 -0.32 -4.94 120.40 124.94 2ppa s VAL 17 Ca 0.33 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 2ppa s VAL 17 Cb -0.17 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2ppa s VAL 17 CO 0.13 0.55 0.56 -1.61 0.00 0.00 0.00 175.10 174.73 2ppa s GLU 18 N -0.19 3.81 0.53 2.72 8.01 -1.26 -4.62 118.70 127.70 2ppa s GLU 18 Ca 0.02 0.10 -0.19 0.00 0.01 0.00 0.00 54.97 54.91 2ppa s GLU 18 Cb -0.13 -3.75 -0.07 0.00 -4.31 0.00 0.00 34.13 25.88 2ppa s GLU 18 CO 0.03 -0.56 1.08 -0.51 0.01 0.00 0.00 175.26 175.31 2ppa s LEU 19 N 2.46 3.76 0.20 1.80 1.43 -1.26 -4.78 118.68 122.29 2ppa s LEU 19 Ca 0.22 2.04 0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2ppa s LEU 19 Cb -0.15 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 2ppa s LEU 19 CO 0.12 -1.05 -0.22 0.68 0.23 0.00 0.00 176.35 176.11 2ppa s VAL 20 N -1.93 2.23 0.26 -1.59 -7.23 -1.26 -4.99 120.40 105.89 2ppa s VAL 20 Ca 0.70 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 2ppa s VAL 20 Cb -0.20 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 2ppa s VAL 20 CO 0.25 -0.20 1.26 -1.81 -0.31 0.00 0.00 175.10 174.29 2ppa s ASP 21 N -2.78 6.93 0.70 4.85 -0.00 -1.26 -4.61 116.67 120.50 2ppa s ASP 21 Ca 0.21 2.47 -0.16 0.00 -0.00 0.00 0.00 52.55 55.06 2ppa s ASP 21 Cb -0.07 -2.63 0.01 0.00 -0.00 0.00 0.00 42.92 40.23 2ppa s ASP 21 CO 0.10 -0.45 1.08 -2.65 -0.00 0.00 0.00 175.17 173.24 2ppa n PRO 22 N 1.72 0.64 -0.04 8.23 -0.02 -1.26 -2.22 135.00 142.05 2ppa n PRO 22 Ca 0.03 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 2ppa n PRO 22 Cb 0.43 -2.32 0.41 0.00 -0.02 0.00 0.00 33.50 31.99 2ppa n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ppa n PRO 23 N -1.99 1.34 -1.88 0.52 -0.04 -1.26 -5.04 135.00 126.66 2ppa n PRO 23 Ca 0.14 -0.52 -0.30 0.00 -0.04 0.00 0.00 63.50 62.78 2ppa n PRO 23 Cb 0.49 -1.31 0.05 0.00 -0.04 0.00 0.00 33.50 32.69 2ppa n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ppa s PHE 24 N -1.88 3.32 -0.01 0.54 0.40 -0.94 -0.44 117.98 118.96 2ppa s PHE 24 Ca 0.27 1.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.69 2ppa s PHE 24 Cb 0.13 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.59 2ppa s PHE 24 CO 0.21 -1.18 -0.11 0.08 0.70 0.00 0.00 175.22 174.92 2ppa s VAL 25 N -3.35 0.90 0.76 -0.44 1.01 -1.26 -4.65 120.40 113.36 2ppa s VAL 25 Ca 0.58 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2ppa s VAL 25 Cb -0.11 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.57 2ppa s VAL 25 CO 0.52 0.26 1.21 0.00 0.00 0.00 0.00 175.10 177.08 2ppa n HIS 26 N 2.82 1.40 -1.67 5.22 1.44 -1.26 -4.89 115.22 118.29 2ppa n HIS 26 Ca -0.14 0.41 -0.45 0.00 -2.01 0.00 0.00 57.72 55.53 2ppa n HIS 26 Cb 0.56 -2.15 -0.02 0.00 0.12 0.00 0.00 29.99 28.50 2ppa n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ppa n ALA 27 N -2.86 0.97 -3.48 1.59 0.00 -1.26 -4.98 120.51 110.48 2ppa n ALA 27 Ca 0.14 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.90 2ppa n ALA 27 Cb 0.50 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2ppa n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ppa s HIS 28 N -0.30 -0.12 0.01 0.00 -3.43 -1.26 -5.05 115.29 105.15 2ppa s HIS 28 Ca 0.66 -0.26 -0.01 0.00 -0.80 0.00 0.00 55.06 54.65 2ppa s HIS 28 Cb -0.65 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 30.95 2ppa s HIS 28 CO 0.52 -1.03 0.13 -1.54 -2.00 0.00 0.00 174.74 170.83 2ppa s SER 29 N -2.90 6.00 -0.09 7.38 1.04 -1.26 -5.03 113.70 118.85 2ppa s SER 29 Ca 0.11 0.22 -0.26 0.00 0.48 0.00 0.00 55.95 56.50 2ppa s SER 29 Cb -0.03 -1.79 -0.22 0.00 0.10 0.00 0.00 66.02 64.08 2ppa s SER 29 CO 0.01 0.25 0.94 1.56 0.98 0.00 0.00 173.24 176.98 2ppa h GLN 30 N 3.80 -0.02 -6.09 4.02 4.20 -1.98 -3.43 115.11 115.62 2ppa h GLN 30 Ca -0.48 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.67 2ppa h GLN 30 Cb 1.18 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 2ppa h GLN 30 CO 0.67 0.71 0.09 0.08 -0.67 0.00 0.00 178.83 179.70 2ppa s VAL 31 N -3.07 4.98 0.29 -0.54 1.01 -1.26 -3.50 120.40 118.31 2ppa s VAL 31 Ca -0.17 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 2ppa s VAL 31 Cb -0.01 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 2ppa s VAL 31 CO 0.64 0.29 1.53 0.00 0.00 0.00 0.00 175.10 177.56 2ppa n ALA 32 N 3.50 2.11 -2.83 5.51 0.00 -0.09 -4.94 120.51 123.77 2ppa n ALA 32 Ca -0.02 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2ppa n ALA 32 Cb 0.51 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 2ppa n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ppa s GLU 33 N -0.61 3.15 1.46 0.00 2.02 -1.26 -4.94 118.70 118.51 2ppa s GLU 33 Ca 0.64 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.82 2ppa s GLU 33 Cb -0.54 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.53 2ppa s GLU 33 CO 0.50 -1.52 0.00 0.41 0.02 0.00 0.00 175.26 174.67 2ppa n GLY 34 N 5.23 -1.64 3.28 -1.39 0.00 -1.26 -4.95 105.19 104.44 2ppa n GLY 34 Ca -0.04 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 2ppa n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppa n GLY 35 N 0.00 -0.35 3.57 -0.02 0.00 -1.26 -5.02 105.19 102.11 2ppa n GLY 35 Ca 0.00 -1.87 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 2ppa n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppa n PRO 36 N -2.96 1.23 -4.35 1.61 -0.02 -1.26 -5.01 135.00 124.25 2ppa n PRO 36 Ca 0.14 0.43 -0.18 0.00 -2.02 0.00 0.00 63.50 61.87 2ppa n PRO 36 Cb 0.49 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 2ppa n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ppa s LYS 37 N -1.49 1.38 -0.46 -0.52 -2.85 -1.26 -4.37 119.74 110.17 2ppa s LYS 37 Ca 0.59 -1.69 -0.17 0.00 -1.00 0.00 0.00 55.97 53.70 2ppa s LYS 37 Cb -0.72 -0.75 0.05 0.00 -2.06 0.00 0.00 37.83 34.35 2ppa s LYS 37 CO 0.59 -0.06 0.44 0.08 0.10 0.00 0.00 175.35 176.51 2ppa s VAL 38 N -3.32 5.12 -0.24 1.79 1.01 -0.08 -0.88 120.40 123.80 2ppa s VAL 38 Ca 0.28 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2ppa s VAL 38 Cb 0.05 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ppa s VAL 38 CO 0.09 -0.56 0.38 -0.69 0.00 0.00 0.00 175.10 174.33 2ppa s VAL 39 N 1.99 5.18 -0.20 2.92 1.01 0.30 -1.82 120.40 129.79 2ppa s VAL 39 Ca 0.09 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2ppa s VAL 39 Cb -0.21 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ppa s VAL 39 CO 0.10 0.19 0.06 -1.61 0.00 0.00 0.00 175.10 173.84 2ppa s GLU 40 N 1.77 3.88 0.11 2.72 2.02 0.26 -0.90 118.70 128.56 2ppa s GLU 40 Ca 0.17 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.85 2ppa s GLU 40 Cb -0.15 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2ppa s GLU 40 CO 0.09 0.15 -0.20 -0.06 0.02 0.00 0.00 175.26 175.26 2ppa s PHE 41 N 0.70 1.75 -0.03 1.61 0.40 -0.51 -1.17 117.98 120.72 2ppa s PHE 41 Ca 0.03 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2ppa s PHE 41 Cb -0.13 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.45 2ppa s PHE 41 CO 0.02 0.22 -0.13 0.99 0.70 0.00 0.00 175.22 177.02 2ppa s THR 42 N -1.37 1.12 -0.01 0.64 2.01 -1.26 -0.18 115.64 116.59 2ppa s THR 42 Ca 0.08 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2ppa s THR 42 Cb -0.09 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.46 2ppa s THR 42 CO 0.05 0.33 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.26 2ppa s MET 43 N 0.09 0.19 -0.15 4.92 -1.94 -0.24 -4.89 119.30 117.29 2ppa s MET 43 Ca -0.03 -0.02 -0.07 0.00 -1.71 0.00 0.00 55.69 53.86 2ppa s MET 43 Cb -0.10 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 2ppa s MET 43 CO 0.01 -0.02 0.09 0.08 -0.01 0.00 0.00 175.02 175.17 2ppa s VAL 44 N 0.31 5.04 -0.06 -6.03 1.01 -1.26 -1.33 120.40 118.09 2ppa s VAL 44 Ca -0.03 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2ppa s VAL 44 Cb -0.05 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2ppa s VAL 44 CO -0.01 0.53 0.75 -0.63 0.00 0.00 0.00 175.10 175.74 2ppa s ILE 45 N -0.26 5.01 -0.19 2.22 1.01 -0.13 -0.62 121.20 128.25 2ppa s ILE 45 Ca 0.09 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2ppa s ILE 45 Cb -0.12 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.28 2ppa s ILE 45 CO 0.01 0.23 -0.17 -1.61 0.00 0.00 0.00 174.94 173.40 2ppa s GLU 46 N 0.86 3.04 -0.40 2.79 0.41 0.12 -4.34 118.70 121.17 2ppa s GLU 46 Ca 0.40 -0.81 -0.27 0.00 -0.41 0.00 0.00 54.97 53.88 2ppa s GLU 46 Cb -0.18 -2.64 0.02 0.00 -1.78 0.00 0.00 34.13 29.55 2ppa s GLU 46 CO 0.20 -0.21 1.00 -1.21 -0.49 0.00 0.00 175.26 174.54 2ppa s GLU 47 N 1.32 3.79 -0.01 1.61 2.02 -1.26 -0.55 118.70 125.62 2ppa s GLU 47 Ca 0.05 0.58 -0.05 0.00 0.02 0.00 0.00 54.97 55.57 2ppa s GLU 47 Cb -0.13 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.26 2ppa s GLU 47 CO -0.11 -1.09 0.09 -1.59 0.02 0.00 0.00 175.26 172.58 2ppa s LYS 48 N 3.79 0.33 0.03 1.61 -2.85 -0.69 -4.97 119.74 116.98 2ppa s LYS 48 Ca 0.41 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.82 2ppa s LYS 48 Cb -0.10 0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.74 2ppa s LYS 48 CO 0.23 -0.07 1.40 0.15 0.10 0.00 0.00 175.35 177.16 2ppa s LYS 49 N -0.92 4.29 0.18 1.78 1.02 -1.26 -0.07 119.74 124.76 2ppa s LYS 49 Ca -0.10 1.99 0.10 0.00 0.02 0.00 0.00 55.97 57.98 2ppa s LYS 49 Cb -0.06 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2ppa s LYS 49 CO 0.01 -0.54 -0.22 0.96 -0.92 0.00 0.00 175.35 174.64 2ppa s ILE 50 N 2.10 2.11 -0.19 2.17 -4.36 -0.30 -4.92 121.20 117.82 2ppa s ILE 50 Ca 0.64 -1.96 -0.10 0.00 -0.26 0.00 0.00 60.65 58.98 2ppa s ILE 50 Cb -0.33 -1.98 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 2ppa s ILE 50 CO 0.28 -0.19 0.13 -0.69 0.24 0.00 0.00 174.94 174.71 2ppa s VAL 51 N -1.78 5.41 -1.27 8.37 1.01 -1.26 -1.37 120.40 129.50 2ppa s VAL 51 Ca 0.18 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.45 2ppa s VAL 51 Cb -0.07 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.92 2ppa s VAL 51 CO 0.08 0.46 0.81 2.30 0.00 0.00 0.00 175.10 178.75 2ppa n ILE 52 N 3.37 0.00 -3.91 2.22 -5.35 0.24 -4.78 119.36 111.15 2ppa n ILE 52 Ca -0.16 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 61.74 2ppa n ILE 52 Cb 0.52 1.21 -0.01 0.00 -1.74 0.00 0.00 39.64 39.62 2ppa n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2ppa s ASP 53 N -0.97 0.11 0.44 7.28 3.84 -1.26 -0.25 116.67 125.86 2ppa s ASP 53 Ca 0.12 -1.06 0.29 0.00 -0.00 0.00 0.00 52.55 51.91 2ppa s ASP 53 Cb 0.09 0.74 1.11 0.00 -1.38 0.00 0.00 42.92 43.48 2ppa s ASP 53 CO 0.15 -1.44 1.85 0.44 -0.00 0.00 0.00 175.17 176.18 2ppa h ASP 54 N 2.07 0.00 1.09 2.11 5.19 -1.96 -2.45 116.42 122.47 2ppa h ASP 54 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2ppa h ASP 54 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2ppa h ASP 54 CO 0.35 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.47 2ppa h ALA 55 N 2.11 1.00 0.00 3.45 0.00 -2.01 -3.47 119.26 120.34 2ppa h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ppa h ALA 55 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ppa h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2ppa n GLY 56 N 0.48 0.80 3.71 0.00 0.00 -0.92 -5.04 105.19 104.22 2ppa n GLY 56 Ca 0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2ppa n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ppa n THR 57 N -2.36 0.46 -4.14 2.61 -1.04 -1.26 -4.82 114.28 103.74 2ppa n THR 57 Ca 0.00 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.05 61.57 2ppa n THR 57 Cb 0.00 -1.79 -0.07 0.00 -1.82 0.00 0.00 70.33 66.64 2ppa n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ppa s GLU 58 N 0.35 2.92 -0.02 -2.82 2.02 -1.26 -0.60 118.70 119.30 2ppa s GLU 58 Ca 0.71 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 55.16 2ppa s GLU 58 Cb -0.57 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2ppa s GLU 58 CO 0.41 0.62 -0.13 0.08 0.02 0.00 0.00 175.26 176.25 2ppa s VAL 59 N -1.22 1.08 -0.90 2.63 1.01 -0.47 -4.95 120.40 117.58 2ppa s VAL 59 Ca 0.24 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2ppa s VAL 59 Cb -0.12 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.40 2ppa s VAL 59 CO 0.15 0.31 1.35 -1.00 0.00 0.00 0.00 175.10 175.90 2ppa s HIS 60 N -0.22 2.48 0.53 5.22 3.76 -1.26 -1.14 115.29 124.66 2ppa s HIS 60 Ca 0.03 -0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 54.21 2ppa s HIS 60 Cb -0.06 -4.63 -0.07 0.00 1.11 0.00 0.00 32.58 28.93 2ppa s HIS 60 CO -0.00 -1.95 1.00 0.00 -0.85 0.00 0.00 174.74 172.94 2ppa s ALA 61 N 5.07 3.02 -0.28 -1.40 0.00 0.90 -4.88 121.76 124.19 2ppa s ALA 61 Ca 0.40 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2ppa s ALA 61 Cb -0.04 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.02 2ppa s ALA 61 CO -0.00 -0.35 -0.02 -1.64 0.00 0.00 0.00 175.76 173.75 2ppa s MET 62 N -4.15 1.60 -0.18 0.00 -1.94 -0.22 -1.71 119.30 112.70 2ppa s MET 62 Ca 0.59 -1.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2ppa s MET 62 Cb -0.11 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.03 2ppa s MET 62 CO 0.34 -0.72 -0.12 0.00 -0.01 0.00 0.00 175.02 174.50 2ppa s ALA 63 N 1.24 2.01 0.10 3.03 0.00 0.29 -2.40 121.76 126.02 2ppa s ALA 63 Ca -0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.51 2ppa s ALA 63 Cb -0.19 -1.21 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 2ppa s ALA 63 CO -0.09 -0.66 1.83 -0.06 0.00 0.00 0.00 175.76 176.78 2ppa s PHE 64 N 1.40 2.02 -1.04 0.00 0.08 -1.25 -0.70 117.98 118.49 2ppa s PHE 64 Ca 0.01 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2ppa s PHE 64 Cb -0.15 -4.16 0.00 0.00 -0.57 0.00 0.00 43.02 38.14 2ppa s PHE 64 CO -0.09 -4.84 0.00 -1.71 -0.10 0.00 0.00 175.22 168.48 2ppa n ASN 65 N 6.04 -5.23 0.00 1.36 5.15 0.21 -2.51 115.26 120.28 2ppa n ASN 65 Ca 0.18 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2ppa n ASN 65 Cb 0.39 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 2ppa n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ppa n GLY 66 N -0.38 0.83 3.37 8.20 0.00 -0.95 -4.97 105.19 111.28 2ppa n GLY 66 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2ppa n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppa s THR 67 N -3.24 2.09 -0.24 2.61 -4.23 -1.04 -4.96 115.64 106.62 2ppa s THR 67 Ca 0.00 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 2ppa s THR 67 Cb 0.00 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.97 2ppa s THR 67 CO 0.00 -0.09 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.17 2ppa s VAL 68 N -1.49 2.20 0.97 2.29 1.01 -1.26 -2.80 120.40 121.32 2ppa s VAL 68 Ca 0.15 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2ppa s VAL 68 Cb -0.08 -2.22 0.17 0.00 0.00 0.00 0.00 36.38 34.25 2ppa s VAL 68 CO 0.07 0.09 1.14 -2.16 0.00 0.00 0.00 175.10 174.24 2ppa s PRO 69 N 1.15 0.69 0.93 2.72 0.04 -1.26 -2.05 135.00 137.22 2ppa s PRO 69 Ca -0.06 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.13 2ppa s PRO 69 Cb -0.18 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.72 2ppa s PRO 69 CO -0.06 -2.50 1.11 0.20 0.04 0.00 0.00 177.00 175.78 2ppa s GLY 70 N -3.93 1.65 0.63 0.56 0.00 -0.19 -4.74 107.32 101.30 2ppa s GLY 70 Ca 0.65 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.55 2ppa s GLY 70 CO 0.55 0.79 1.07 2.56 0.00 0.00 0.00 173.10 178.06 2ppa s PRO 71 N -4.70 3.10 -0.08 2.90 0.04 -1.26 -4.47 135.00 130.52 2ppa s PRO 71 Ca 0.66 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2ppa s PRO 71 Cb -0.21 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2ppa s PRO 71 CO 0.59 -0.99 1.06 -1.17 0.04 0.00 0.00 177.00 176.53 2ppa s LEU 72 N -4.82 4.27 -0.14 -3.56 2.96 -1.26 -4.35 118.68 111.77 2ppa s LEU 72 Ca 0.63 1.62 -0.11 0.00 -0.22 0.00 0.00 54.13 56.05 2ppa s LEU 72 Cb -0.17 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2ppa s LEU 72 CO 0.42 -0.47 0.23 -0.04 -1.32 0.00 0.00 176.35 175.17 2ppa s MET 73 N 1.98 4.01 -0.14 1.98 -1.94 -1.15 -4.55 119.30 119.49 2ppa s MET 73 Ca 0.51 -0.00 0.03 0.00 -1.71 0.00 0.00 55.69 54.51 2ppa s MET 73 Cb -0.20 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.30 2ppa s MET 73 CO 0.20 0.43 -0.22 0.08 -0.01 0.00 0.00 175.02 175.50 2ppa s VAL 74 N -0.08 2.06 0.36 -6.03 1.01 -1.26 -0.21 120.40 116.25 2ppa s VAL 74 Ca 0.15 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.20 2ppa s VAL 74 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2ppa s VAL 74 CO 0.03 0.55 0.20 0.68 0.00 0.00 0.00 175.10 176.56 2ppa s VAL 75 N 0.79 0.30 0.28 2.92 -7.23 -0.29 -4.99 120.40 112.17 2ppa s VAL 75 Ca -0.08 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 2ppa s VAL 75 Cb -0.16 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2ppa s VAL 75 CO -0.01 0.00 0.06 -1.00 -0.31 0.00 0.00 175.10 173.84 2ppa s HIS 76 N -3.36 2.78 0.24 2.82 3.76 -1.26 -0.80 115.29 119.47 2ppa s HIS 76 Ca 0.32 -0.23 -0.31 0.00 -0.15 0.00 0.00 55.06 54.69 2ppa s HIS 76 Cb 0.03 -1.32 -0.13 0.00 1.11 0.00 0.00 32.58 32.27 2ppa s HIS 76 CO 0.20 0.55 1.47 0.94 -0.85 0.00 0.00 174.74 177.05 2ppa n GLN 77 N -1.00 2.20 -0.86 1.40 7.27 0.11 -1.40 117.38 125.11 2ppa n GLN 77 Ca -0.06 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.79 2ppa n GLN 77 Cb 0.59 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.76 2ppa n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2ppa n ASP 78 N 2.32 0.00 -4.68 1.69 10.43 0.12 -4.72 116.55 121.70 2ppa n ASP 78 Ca 0.12 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.18 2ppa n ASP 78 Cb 0.32 -0.59 0.16 0.00 1.84 0.00 0.00 41.12 42.85 2ppa n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2ppa s ASP 79 N -2.78 3.07 -0.11 -2.24 -0.00 -0.49 -4.69 116.67 109.42 2ppa s ASP 79 Ca 0.00 1.52 -0.03 0.00 -0.00 0.00 0.00 52.55 54.04 2ppa s ASP 79 Cb 0.00 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.92 40.70 2ppa s ASP 79 CO 0.00 -2.90 -0.02 -0.31 -0.00 0.00 0.00 175.17 171.95 2ppa s TYR 80 N -2.86 3.09 -0.27 4.23 1.51 -0.06 -1.44 117.35 121.54 2ppa s TYR 80 Ca 0.64 -0.01 -0.12 0.00 -1.01 0.00 0.00 57.07 56.57 2ppa s TYR 80 Cb -0.19 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 2ppa s TYR 80 CO 0.58 0.25 0.26 -1.17 -1.11 0.00 0.00 175.55 174.36 2ppa s LEU 81 N -0.35 4.03 -0.33 -1.29 0.20 0.56 -0.54 118.68 120.96 2ppa s LEU 81 Ca 0.06 0.11 0.01 0.00 0.69 0.00 0.00 54.13 55.00 2ppa s LEU 81 Cb -0.12 -2.23 0.09 0.00 -0.43 0.00 0.00 46.19 43.49 2ppa s LEU 81 CO 0.02 -0.09 0.05 -0.70 -0.29 0.00 0.00 176.35 175.34 2ppa s GLU 82 N 1.83 1.93 -0.19 1.98 2.12 -0.08 -1.52 118.70 124.77 2ppa s GLU 82 Ca 0.10 -1.65 -0.06 0.00 0.36 0.00 0.00 54.97 53.72 2ppa s GLU 82 Cb -0.16 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2ppa s GLU 82 CO 0.10 -0.84 0.03 -1.17 -0.54 0.00 0.00 175.26 172.84 2ppa s LEU 83 N 1.06 3.52 -0.35 2.70 2.96 0.26 -1.42 118.68 127.41 2ppa s LEU 83 Ca 0.03 -0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.68 2ppa s LEU 83 Cb -0.20 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2ppa s LEU 83 CO -0.05 0.11 0.60 -0.89 -1.32 0.00 0.00 176.35 174.80 2ppa s THR 84 N 0.74 4.92 -0.17 3.68 2.01 0.75 -1.33 115.64 126.24 2ppa s THR 84 Ca 0.02 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 2ppa s THR 84 Cb -0.14 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2ppa s THR 84 CO 0.02 -0.28 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.39 2ppa s LEU 85 N 2.62 3.00 -0.13 4.42 2.96 0.08 -1.08 118.68 130.55 2ppa s LEU 85 Ca 0.23 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2ppa s LEU 85 Cb -0.15 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.82 2ppa s LEU 85 CO 0.14 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.45 2ppa s ILE 86 N 0.75 2.28 -0.59 6.68 1.01 -0.44 -1.36 121.20 129.53 2ppa s ILE 86 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 2ppa s ILE 86 Cb -0.15 -1.92 0.15 0.00 0.01 0.00 0.00 42.46 40.55 2ppa s ILE 86 CO 0.02 0.54 0.45 0.21 0.00 0.00 0.00 174.94 176.16 2ppa s ASN 87 N 0.68 5.69 0.67 3.58 2.47 -0.08 -0.95 114.94 127.00 2ppa s ASN 87 Ca -0.09 -2.41 -0.17 0.00 0.42 0.00 0.00 52.86 50.61 2ppa s ASN 87 Cb -0.16 -1.98 0.01 0.00 -1.45 0.00 0.00 41.25 37.67 2ppa s ASN 87 CO 0.01 -0.54 1.23 -2.16 -3.72 0.00 0.00 177.10 171.92 2ppa s PRO 88 N 0.60 2.46 0.40 0.43 0.04 -1.26 0.74 135.00 138.41 2ppa s PRO 88 Ca 0.12 1.86 0.28 0.00 0.04 0.00 0.00 61.00 63.30 2ppa s PRO 88 Cb -0.21 -1.86 1.37 0.00 0.04 0.00 0.00 34.50 33.85 2ppa s PRO 88 CO -0.04 -1.61 1.86 1.05 0.04 0.00 0.00 177.00 178.30 2ppa h GLU 89 N 0.23 0.00 0.00 4.56 4.11 -1.90 -1.70 114.58 119.88 2ppa h GLU 89 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2ppa h GLU 89 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2ppa h GLU 89 CO 0.52 0.00 -0.05 1.79 0.07 0.00 0.00 179.01 181.34 2ppa h THR 90 N 0.00 0.11 -4.28 -1.06 1.35 -1.95 -3.44 112.91 103.65 2ppa h THR 90 Ca 0.00 -0.77 -0.49 0.00 -0.55 0.00 0.00 66.41 64.60 2ppa h THR 90 Cb 0.19 1.69 0.11 0.00 -1.73 0.00 0.00 68.15 68.42 2ppa h THR 90 CO 0.00 0.05 0.33 0.20 -0.25 0.00 0.00 175.52 175.85 2ppa s ASN 91 N -5.92 4.42 -0.01 5.36 0.01 -0.64 -5.02 114.94 113.15 2ppa s ASN 91 Ca 0.02 1.33 0.09 0.00 -0.71 0.00 0.00 52.86 53.59 2ppa s ASN 91 Cb 0.08 -2.06 -0.13 0.00 0.41 0.00 0.00 41.25 39.55 2ppa s ASN 91 CO 0.59 -2.02 0.22 0.35 -1.51 0.00 0.00 177.10 174.73 2ppa n THR 92 N -3.46 0.00 -4.31 1.60 -2.24 -1.26 -4.76 114.28 99.85 2ppa n THR 92 Ca 0.07 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 2ppa n THR 92 Cb 0.56 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 2ppa n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ppa s LEU 93 N -3.39 2.92 0.33 3.22 1.43 -1.26 -4.87 118.68 117.07 2ppa s LEU 93 Ca -0.02 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.18 2ppa s LEU 93 Cb 0.06 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 2ppa s LEU 93 CO 0.35 0.09 1.10 -0.32 0.23 0.00 0.00 176.35 177.81 2ppa s MET 94 N -2.91 4.41 0.16 1.70 -2.45 -1.26 -4.11 119.30 114.84 2ppa s MET 94 Ca 0.25 1.73 0.01 0.00 -1.25 0.00 0.00 55.69 56.44 2ppa s MET 94 Cb -0.08 -2.92 -0.04 0.00 1.25 0.00 0.00 34.83 33.03 2ppa s MET 94 CO 0.15 0.02 0.01 -1.01 1.05 0.00 0.00 175.02 175.24 2ppa s HIS 95 N -1.34 1.12 0.00 4.11 0.09 -0.75 -4.90 115.29 113.62 2ppa s HIS 95 Ca 0.50 -1.06 0.00 0.00 -0.00 0.00 0.00 55.06 54.50 2ppa s HIS 95 Cb -0.29 -0.64 0.00 0.00 -0.00 0.00 0.00 32.58 31.65 2ppa s HIS 95 CO 0.37 -0.27 0.00 0.27 -0.00 0.00 0.00 174.74 175.11 2ppa n ASN 96 N -0.20 0.00 -3.80 1.40 0.23 -1.26 -0.65 115.26 110.98 2ppa n ASN 96 Ca -0.07 -0.96 -0.13 0.00 -0.53 0.00 0.00 54.58 52.89 2ppa n ASN 96 Cb 0.63 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.19 2ppa n ASN 96 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2ppa s ILE 97 N -2.53 -0.03 -0.21 1.53 2.07 -1.26 -4.17 121.20 116.60 2ppa s ILE 97 Ca 0.00 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.33 2ppa s ILE 97 Cb 0.00 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.47 2ppa s ILE 97 CO 0.00 0.04 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.14 2ppa s ASP 98 N 0.60 3.77 -0.29 4.50 -0.00 0.77 -1.64 116.67 124.39 2ppa s ASP 98 Ca -0.05 -0.63 -0.14 0.00 -0.00 0.00 0.00 52.55 51.73 2ppa s ASP 98 Cb -0.07 -1.60 -0.03 0.00 -0.00 0.00 0.00 42.92 41.22 2ppa s ASP 98 CO -0.02 -0.04 0.34 -0.36 -0.00 0.00 0.00 175.17 175.09 2ppa s PHE 99 N 1.35 3.23 0.36 4.23 0.40 0.38 -1.08 117.98 126.86 2ppa s PHE 99 Ca 0.04 0.25 0.38 0.00 -0.60 0.00 0.00 56.93 57.01 2ppa s PHE 99 Cb -0.14 -2.56 1.92 0.00 0.51 0.00 0.00 43.02 42.74 2ppa s PHE 99 CO -0.08 -0.27 2.16 0.45 0.70 0.00 0.00 175.22 178.18 2ppa h HIS 100 N 8.28 0.00 0.00 0.36 3.86 -1.49 -1.91 115.15 124.26 2ppa h HIS 100 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2ppa h HIS 100 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2ppa h HIS 100 CO 0.74 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.53 2ppa h ALA 101 N 2.01 1.00 -2.13 2.45 0.00 -1.90 -3.47 119.26 117.23 2ppa h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2ppa h ALA 101 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ppa h ALA 101 CO 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 2ppa s ALA 102 N -3.42 3.88 -0.19 0.00 0.00 -0.72 -4.61 121.76 116.70 2ppa s ALA 102 Ca 0.04 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2ppa s ALA 102 Cb 0.08 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.33 2ppa s ALA 102 CO 0.57 0.03 -0.18 0.99 0.00 0.00 0.00 175.76 177.16 2ppa s THR 103 N -2.20 2.01 0.00 0.00 2.01 -1.26 -4.64 115.64 111.56 2ppa s THR 103 Ca 0.40 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2ppa s THR 103 Cb -0.09 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2ppa s THR 103 CO 0.33 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.33 2ppa n GLY 104 N 4.62 2.76 4.08 4.40 0.00 -1.26 -4.91 105.19 114.88 2ppa n GLY 104 Ca -0.20 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2ppa n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa n ALA 105 N 0.46 -1.52 -2.08 4.61 0.00 -1.26 -0.26 120.51 120.45 2ppa n ALA 105 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 2ppa n ALA 105 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 19.45 16.46 2ppa n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppa n LEU 106 N -4.44 -1.72 0.00 0.00 4.77 -1.26 -1.14 117.00 113.22 2ppa n LEU 106 Ca -0.06 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2ppa n LEU 106 Cb 0.56 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 2ppa n LEU 106 CO 0.81 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2ppa n GLY 107 N -0.87 0.70 0.00 -0.72 0.00 0.64 -4.08 105.19 100.86 2ppa n GLY 107 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ppa n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppa n GLY 108 N -2.00 1.56 0.32 -0.02 0.00 -0.29 -0.47 105.19 104.28 2ppa n GLY 108 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2ppa n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ppa h GLY 109 N 0.00 0.88 2.00 -0.02 0.00 -0.50 -1.62 103.07 103.80 2ppa h GLY 109 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ppa h GLY 109 CO 0.00 0.40 -0.01 -1.33 0.00 0.00 0.00 176.54 175.60 2ppa h GLY 110 N 0.92 0.00 -0.87 4.60 0.00 -1.61 -3.11 103.07 103.01 2ppa h GLY 110 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2ppa h GLY 110 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 2ppa n LEU 111 N -3.12 2.01 -0.24 3.11 4.77 -0.65 -4.68 117.00 118.20 2ppa n LEU 111 Ca -0.01 -1.17 0.06 0.00 -0.03 0.00 0.00 56.01 54.86 2ppa n LEU 111 Cb 0.21 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2ppa n LEU 111 CO 0.25 0.42 0.44 0.35 -1.33 0.00 0.00 177.39 177.51 2ppa n THR 112 N 0.54 1.13 -2.30 -5.08 -2.24 -0.99 -4.95 114.28 100.39 2ppa n THR 112 Ca 0.07 -1.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.07 2ppa n THR 112 Cb 0.28 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2ppa n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ppa s GLU 113 N -1.71 3.43 -0.12 -0.78 2.02 -1.24 -4.16 118.70 116.14 2ppa s GLU 113 Ca 0.19 0.86 0.03 0.00 0.02 0.00 0.00 54.97 56.07 2ppa s GLU 113 Cb 0.17 -4.09 0.01 0.00 0.10 0.00 0.00 34.13 30.31 2ppa s GLU 113 CO 0.02 -1.75 -0.22 0.96 0.02 0.00 0.00 175.26 174.28 2ppa s ILE 114 N 5.95 2.00 0.69 -1.63 -4.36 0.18 -4.97 121.20 119.06 2ppa s ILE 114 Ca 0.62 -0.96 -0.11 0.00 -0.26 0.00 0.00 60.65 59.93 2ppa s ILE 114 Cb -0.14 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.82 2ppa s ILE 114 CO 0.30 0.54 1.08 0.20 0.24 0.00 0.00 174.94 177.30 2ppa s ASN 115 N 0.61 5.55 0.25 4.36 0.02 -1.26 -1.80 114.94 122.66 2ppa s ASN 115 Ca -0.12 1.26 -0.31 0.00 -1.02 0.00 0.00 52.86 52.67 2ppa s ASN 115 Cb -0.17 -2.13 -0.13 0.00 0.02 0.00 0.00 41.25 38.84 2ppa s ASN 115 CO 0.03 -1.29 1.36 -2.65 0.02 0.00 0.00 177.10 174.56 2ppa n PRO 116 N -2.99 1.94 -0.34 -0.60 -0.02 -1.26 -1.38 135.00 130.35 2ppa n PRO 116 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2ppa n PRO 116 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2ppa n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppa n GLY 117 N 1.94 0.71 3.52 -1.23 0.00 0.23 -4.71 105.19 105.65 2ppa n GLY 117 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2ppa n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppa s GLU 118 N -0.66 1.85 0.19 1.61 2.02 -0.48 -4.88 118.70 118.35 2ppa s GLU 118 Ca 0.00 -1.70 0.01 0.00 0.02 0.00 0.00 54.97 53.30 2ppa s GLU 118 Cb 0.00 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 2ppa s GLU 118 CO 0.00 0.32 0.05 -1.59 0.02 0.00 0.00 175.26 174.05 2ppa s LYS 119 N -3.56 1.17 0.05 1.61 -2.85 -1.26 -0.90 119.74 113.99 2ppa s LYS 119 Ca 0.31 -1.59 -0.14 0.00 -1.00 0.00 0.00 55.97 53.55 2ppa s LYS 119 Cb -0.05 -0.13 0.02 0.00 -2.06 0.00 0.00 37.83 35.61 2ppa s LYS 119 CO 0.16 -0.22 0.31 -0.08 0.10 0.00 0.00 175.35 175.63 2ppa s THR 120 N -3.79 0.08 -0.12 3.79 -1.32 -0.46 -5.01 115.64 108.81 2ppa s THR 120 Ca 0.29 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 60.09 2ppa s THR 120 Cb 0.07 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 2ppa s THR 120 CO 0.07 -0.38 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.34 2ppa s ILE 121 N -2.71 1.44 -0.10 5.08 1.01 -1.26 -0.74 121.20 123.93 2ppa s ILE 121 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2ppa s ILE 121 Cb -0.00 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2ppa s ILE 121 CO -0.04 0.43 -0.15 -0.22 0.00 0.00 0.00 174.94 174.96 2ppa s LEU 122 N 1.29 2.66 -0.09 2.97 2.96 -0.45 -4.96 118.68 123.06 2ppa s LEU 122 Ca -0.00 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2ppa s LEU 122 Cb -0.14 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2ppa s LEU 122 CO -0.06 0.23 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.39 2ppa s ARG 123 N -0.05 2.91 0.04 1.98 3.52 -1.26 -0.58 118.95 125.51 2ppa s ARG 123 Ca -0.03 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 2ppa s ARG 123 Cb -0.14 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 2ppa s ARG 123 CO 0.04 0.30 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.19 2ppa s PHE 124 N 0.06 0.49 -0.09 5.12 -0.12 -0.57 -4.98 117.98 117.89 2ppa s PHE 124 Ca -0.09 -0.63 -0.25 0.00 -0.05 0.00 0.00 56.93 55.91 2ppa s PHE 124 Cb -0.15 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 2ppa s PHE 124 CO 0.06 -0.18 0.79 0.21 -0.05 0.00 0.00 175.22 176.05 2ppa s LYS 125 N -2.07 4.41 -1.13 1.99 2.20 -1.26 -0.32 119.74 123.56 2ppa s LYS 125 Ca -0.08 1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 56.38 2ppa s LYS 125 Cb -0.06 -3.49 0.14 0.00 -1.51 0.00 0.00 37.83 32.91 2ppa s LYS 125 CO -0.02 -0.09 1.37 0.00 -0.36 0.00 0.00 175.35 176.25 2ppa s ALA 126 N 1.31 3.69 -0.17 3.13 0.00 -0.52 -4.79 121.76 124.40 2ppa s ALA 126 Ca 0.40 -3.09 0.23 0.00 0.00 0.00 0.00 51.96 49.50 2ppa s ALA 126 Cb -0.18 -4.17 0.58 0.00 0.00 0.00 0.00 23.12 19.35 2ppa s ALA 126 CO 0.18 -2.92 1.68 1.79 0.00 0.00 0.00 175.76 176.49 2ppa h THR 127 N 5.19 0.30 -3.68 0.00 1.35 -1.86 0.33 112.91 114.54 2ppa h THR 127 Ca 0.28 -1.21 -0.59 0.00 -0.55 0.00 0.00 66.41 64.34 2ppa h THR 127 Cb 0.92 1.96 -0.32 0.00 -1.73 0.00 0.00 68.15 68.98 2ppa h THR 127 CO 1.23 0.15 -0.84 -0.54 -0.25 0.00 0.00 175.52 175.27 2ppa s LYS 128 N -3.32 2.08 0.15 4.72 1.02 -1.26 -4.70 119.74 118.43 2ppa s LYS 128 Ca 0.04 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 2ppa s LYS 128 Cb 0.07 -1.72 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 2ppa s LYS 128 CO 0.66 0.19 0.93 -1.25 -0.92 0.00 0.00 175.35 174.96 2ppa s PRO 129 N 0.24 4.73 0.00 -1.68 0.04 -1.26 -4.78 135.00 132.28 2ppa s PRO 129 Ca -0.10 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2ppa s PRO 129 Cb -0.14 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2ppa s PRO 129 CO 0.04 0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.83 2ppa n GLY 130 N 1.98 -1.39 3.72 0.56 0.00 0.32 -1.97 105.19 108.41 2ppa n GLY 130 Ca 0.00 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2ppa n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppa s VAL 131 N -2.73 4.50 0.00 1.61 -7.23 0.83 0.06 120.40 117.45 2ppa s VAL 131 Ca 0.00 -0.24 -0.00 0.00 -1.81 0.00 0.00 61.98 59.92 2ppa s VAL 131 Cb 0.00 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 2ppa s VAL 131 CO 0.00 0.55 0.00 -0.36 -0.31 0.00 0.00 175.10 174.98 2ppa s PHE 132 N -0.96 0.05 0.49 2.82 0.08 -0.36 -4.45 117.98 115.65 2ppa s PHE 132 Ca 0.15 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 2ppa s PHE 132 Cb -0.11 -0.04 -0.07 0.00 -0.57 0.00 0.00 43.02 42.23 2ppa s PHE 132 CO 0.05 -0.04 1.17 0.08 -0.10 0.00 0.00 175.22 176.37 2ppa s VAL 133 N -0.31 3.03 0.14 -0.44 1.01 -1.26 -0.38 120.40 122.18 2ppa s VAL 133 Ca -0.03 0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2ppa s VAL 133 Cb -0.02 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2ppa s VAL 133 CO -0.00 -0.05 -0.16 -0.72 0.00 0.00 0.00 175.10 174.16 2ppa s TYR 134 N -1.59 1.59 0.01 5.22 -0.85 -0.75 -1.31 117.35 119.68 2ppa s TYR 134 Ca 0.67 -0.51 -0.28 0.00 -0.52 0.00 0.00 57.07 56.43 2ppa s TYR 134 Cb -0.28 -0.82 0.10 0.00 0.38 0.00 0.00 41.96 41.34 2ppa s TYR 134 CO 0.33 0.22 0.86 -3.38 -1.52 0.00 0.00 175.55 172.07 2ppa s HIS 135 N -2.02 -0.36 0.43 -3.49 -3.43 -0.24 -0.96 115.29 105.22 2ppa s HIS 135 Ca 0.11 0.21 -0.23 0.00 -0.80 0.00 0.00 55.06 54.36 2ppa s HIS 135 Cb -0.06 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 2ppa s HIS 135 CO 0.04 -0.58 1.05 0.00 -2.00 0.00 0.00 174.74 173.26 2ppa n ALA 137 N -0.37 -0.69 -2.44 0.00 0.00 -1.26 -4.47 120.51 111.28 2ppa n ALA 137 Ca 0.06 -1.66 -0.42 0.00 0.00 0.00 0.00 53.44 51.42 2ppa n ALA 137 Cb 0.50 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2ppa n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ppa s PRO 138 N 0.49 4.37 0.06 0.00 0.02 -1.26 -4.88 135.00 133.80 2ppa s PRO 138 Ca 0.32 1.71 -0.37 0.00 0.02 0.00 0.00 61.00 62.68 2ppa s PRO 138 Cb 0.11 -3.51 -0.17 0.00 0.02 0.00 0.00 34.50 30.95 2ppa s PRO 138 CO -0.15 -0.41 1.35 -2.30 -0.33 0.00 0.00 177.00 175.17 2ppa n PRO 139 N 4.90 1.07 -0.10 5.54 -0.02 -1.26 -0.39 135.00 144.74 2ppa n PRO 139 Ca 0.11 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2ppa n PRO 139 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2ppa n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppa n GLY 140 N 2.56 1.92 0.70 -1.23 0.00 -1.26 -4.80 105.19 103.08 2ppa n GLY 140 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2ppa n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ppa n MET 141 N -2.00 0.22 0.31 1.61 2.81 0.48 -4.99 117.12 115.56 2ppa n MET 141 Ca 0.00 -1.54 -0.12 0.00 -1.81 0.00 0.00 57.70 54.23 2ppa n MET 141 Cb 0.00 -0.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.90 2ppa n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ppa h VAL 142 N 5.90 0.00 0.00 2.03 2.07 -1.80 -2.78 116.25 121.67 2ppa h VAL 142 Ca -0.06 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2ppa h VAL 142 Cb 1.46 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2ppa h VAL 142 CO 0.02 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 179.05 2ppa h PRO 143 N -0.92 0.00 -0.75 1.57 0.13 -1.92 -2.42 132.00 127.69 2ppa h PRO 143 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2ppa h PRO 143 Cb 0.61 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 2ppa h PRO 143 CO 0.13 0.12 0.43 2.35 -0.23 0.00 0.00 178.00 180.80 2ppa h TRP 144 N 0.00 1.01 -0.46 1.56 7.01 -1.94 0.25 115.95 123.38 2ppa h TRP 144 Ca -0.00 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 2ppa h TRP 144 Cb 0.22 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 2ppa h TRP 144 CO 0.00 0.69 0.01 0.45 -2.79 0.00 0.00 178.44 176.80 2ppa h HIS 145 N 1.03 0.88 -0.24 2.65 3.86 -1.18 -2.39 115.15 119.76 2ppa h HIS 145 Ca 0.27 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2ppa h HIS 145 Cb 0.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 2ppa h HIS 145 CO -0.00 0.85 0.06 0.28 0.86 0.00 0.00 177.93 179.97 2ppa h VAL 146 N 0.66 1.21 -0.00 2.45 2.07 -0.98 -2.22 116.25 119.44 2ppa h VAL 146 Ca 0.13 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ppa h VAL 146 Cb 0.49 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2ppa h VAL 146 CO 0.02 0.22 -0.01 1.33 0.02 0.00 0.00 177.57 179.16 2ppa n VAL 147 N -4.73 0.00 0.69 2.57 0.24 0.03 -1.49 118.33 115.65 2ppa n VAL 147 Ca -0.03 -0.02 0.06 0.00 -2.04 0.00 0.00 64.34 62.31 2ppa n VAL 147 Cb 0.18 -0.41 0.18 0.00 -1.47 0.00 0.00 33.84 32.31 2ppa n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ppa n SER 148 N -0.97 2.20 0.00 -1.34 7.64 -0.90 -4.68 113.62 115.58 2ppa n SER 148 Ca 0.21 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2ppa n SER 148 Cb 0.16 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2ppa n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ppa n GLY 149 N 1.10 0.82 2.75 0.23 0.00 -0.55 -1.05 105.19 108.48 2ppa n GLY 149 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ppa n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ppa n MET 150 N -2.14 3.89 -3.52 1.61 0.00 -0.88 -4.53 117.12 111.55 2ppa n MET 150 Ca 0.00 -3.50 -0.13 0.00 0.00 0.00 0.00 57.70 54.07 2ppa n MET 150 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 33.22 30.34 2ppa n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2ppa s ASN 151 N 0.70 -0.48 0.00 6.12 2.20 -1.26 -1.67 114.94 120.56 2ppa s ASN 151 Ca 0.44 0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.45 2ppa s ASN 151 Cb 0.12 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.90 2ppa s ASN 151 CO -0.02 -0.82 0.00 0.61 -2.94 0.00 0.00 177.10 173.93 2ppa n GLY 152 N 0.08 3.54 3.47 0.45 0.00 -0.14 -1.02 105.19 111.58 2ppa n GLY 152 Ca -0.18 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2ppa n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa s ALA 153 N -1.09 -0.74 0.18 4.61 0.00 -1.26 -1.80 121.76 121.66 2ppa s ALA 153 Ca 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.67 2ppa s ALA 153 Cb 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2ppa s ALA 153 CO 0.00 -0.76 -0.14 0.96 0.00 0.00 0.00 175.76 175.81 2ppa s ILE 154 N -3.89 1.61 -0.14 0.00 -4.36 0.49 -2.96 121.20 111.96 2ppa s ILE 154 Ca 0.11 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2ppa s ILE 154 Cb 0.00 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.78 2ppa s ILE 154 CO -0.03 -0.57 -0.21 -0.32 0.24 0.00 0.00 174.94 174.05 2ppa s MET 155 N -3.47 2.94 -0.49 0.37 -2.45 0.71 -1.22 119.30 115.69 2ppa s MET 155 Ca 0.19 -0.83 -0.10 0.00 -1.25 0.00 0.00 55.69 53.71 2ppa s MET 155 Cb -0.01 -2.38 0.12 0.00 1.25 0.00 0.00 34.83 33.82 2ppa s MET 155 CO 0.05 -0.01 0.37 0.08 1.05 0.00 0.00 175.02 176.56 2ppa s VAL 156 N 0.81 4.30 0.44 10.11 1.01 0.11 -1.14 120.40 136.04 2ppa s VAL 156 Ca -0.07 -1.83 -0.22 0.00 0.00 0.00 0.00 61.98 59.86 2ppa s VAL 156 Cb -0.16 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2ppa s VAL 156 CO -0.01 -0.79 1.05 -0.76 0.00 0.00 0.00 175.10 174.58 2ppa s LEU 157 N 1.30 4.02 0.67 3.92 1.43 0.02 -0.52 118.68 129.52 2ppa s LEU 157 Ca 0.06 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 2ppa s LEU 157 Cb -0.26 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.62 2ppa s LEU 157 CO -0.01 -0.61 1.23 -2.84 0.23 0.00 0.00 176.35 174.35 2ppa s PRO 158 N -2.81 2.51 0.53 1.29 0.02 -1.26 -0.71 135.00 134.57 2ppa s PRO 158 Ca 0.62 1.85 0.19 0.00 0.02 0.00 0.00 61.00 63.68 2ppa s PRO 158 Cb -0.20 -1.87 1.37 0.00 0.02 0.00 0.00 34.50 33.83 2ppa s PRO 158 CO 0.24 -1.57 2.16 0.00 -0.33 0.00 0.00 177.00 177.50 2ppa h ARG 159 N 0.28 0.00 -0.69 5.54 3.08 -1.89 -0.06 114.38 120.65 2ppa h ARG 159 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2ppa h ARG 159 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2ppa h ARG 159 CO 0.52 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.83 2ppa n GLU 160 N -4.34 3.21 -0.29 0.04 -0.58 -1.26 -0.92 120.64 116.49 2ppa n GLU 160 Ca -0.03 -1.92 0.04 0.00 -0.42 0.00 0.00 57.16 54.83 2ppa n GLU 160 Cb 0.11 -1.87 -0.01 0.00 -0.57 0.00 0.00 31.44 29.10 2ppa n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ppa n GLY 161 N 0.55 -1.99 3.79 0.62 0.00 -0.04 -4.79 105.19 103.34 2ppa n GLY 161 Ca 0.17 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 2ppa n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ppa s LEU 162 N 0.00 3.95 0.09 0.99 1.43 -1.26 -4.35 118.68 119.54 2ppa s LEU 162 Ca 0.00 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2ppa s LEU 162 Cb 0.00 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2ppa s LEU 162 CO 0.00 -0.65 -0.03 -1.00 0.23 0.00 0.00 176.35 174.90 2ppa s HIS 163 N -1.88 0.78 0.00 0.29 3.76 -1.26 -1.24 115.29 115.74 2ppa s HIS 163 Ca 0.64 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2ppa s HIS 163 Cb -0.18 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.03 2ppa s HIS 163 CO 0.22 -0.30 0.00 -0.40 -0.85 0.00 0.00 174.74 173.41 2ppa n ASP 164 N -0.01 -0.08 0.05 1.40 5.68 0.42 -4.78 116.55 119.23 2ppa n ASP 164 Ca -0.11 -0.79 0.09 0.00 -0.50 0.00 0.00 54.79 53.49 2ppa n ASP 164 Cb 0.62 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.99 2ppa n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ppa n GLY 165 N 4.76 -1.14 0.88 6.12 0.00 -1.26 -3.69 105.19 110.86 2ppa n GLY 165 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2ppa n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ppa n LYS 166 N -1.81 0.85 0.00 1.61 4.76 -1.26 -4.95 118.16 117.36 2ppa n LYS 166 Ca 0.03 -2.58 0.00 0.00 -2.87 0.00 0.00 58.31 52.90 2ppa n LYS 166 Cb 0.20 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2ppa n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ppa n GLY 167 N -0.46 3.15 3.72 0.72 0.00 -1.24 -5.04 105.19 106.04 2ppa n GLY 167 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2ppa n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppa s LYS 168 N -0.42 4.47 0.32 1.61 3.01 -1.26 -4.79 119.74 122.68 2ppa s LYS 168 Ca 0.00 1.81 -0.29 0.00 -1.01 0.00 0.00 55.97 56.48 2ppa s LYS 168 Cb 0.00 -3.30 -0.11 0.00 -1.01 0.00 0.00 37.83 33.41 2ppa s LYS 168 CO 0.00 -0.16 1.52 0.00 0.51 0.00 0.00 175.35 177.22 2ppa s ALA 169 N 0.50 3.66 -0.17 5.17 0.00 -1.26 -0.44 121.76 129.23 2ppa s ALA 169 Ca 0.56 1.53 0.01 0.00 0.00 0.00 0.00 51.96 54.05 2ppa s ALA 169 Cb -0.31 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.20 2ppa s ALA 169 CO 0.33 -0.97 -0.18 -0.51 0.00 0.00 0.00 175.76 174.43 2ppa s LEU 170 N -1.12 2.28 -0.21 0.00 1.43 -0.37 -4.80 118.68 115.89 2ppa s LEU 170 Ca 0.58 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2ppa s LEU 170 Cb -0.46 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.28 2ppa s LEU 170 CO 0.53 0.04 -0.16 -0.89 0.23 0.00 0.00 176.35 176.10 2ppa s THR 171 N 1.05 2.12 0.42 5.49 2.01 -1.26 -3.99 115.64 121.48 2ppa s THR 171 Ca -0.01 -1.21 -0.18 0.00 0.31 0.00 0.00 61.69 60.60 2ppa s THR 171 Cb -0.14 -2.03 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 2ppa s THR 171 CO -0.06 0.31 0.90 -0.72 -0.69 0.00 0.00 174.62 174.37 2ppa s TYR 172 N 1.22 3.36 0.01 4.92 -0.85 -1.26 -4.89 117.35 119.84 2ppa s TYR 172 Ca -0.00 1.47 -0.01 0.00 -0.52 0.00 0.00 57.07 58.01 2ppa s TYR 172 Cb -0.16 -2.75 -0.27 0.00 0.38 0.00 0.00 41.96 39.17 2ppa s TYR 172 CO -0.10 -0.11 0.86 -0.44 -1.52 0.00 0.00 175.55 174.25 2ppa h ASP 173 N 1.78 0.32 -5.10 -0.18 3.32 -0.62 -3.48 116.42 112.47 2ppa h ASP 173 Ca -0.48 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.04 2ppa h ASP 173 Cb 1.18 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2ppa h ASP 173 CO 0.62 1.38 -0.23 -1.59 -1.72 0.00 0.00 179.24 177.70 2ppa s LYS 174 N -2.62 0.91 -0.00 3.56 -2.85 -1.02 -5.03 119.74 112.69 2ppa s LYS 174 Ca -0.08 -0.74 0.04 0.00 -1.00 0.00 0.00 55.97 54.19 2ppa s LYS 174 Cb 0.07 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2ppa s LYS 174 CO 0.84 -0.32 -0.12 -1.50 0.10 0.00 0.00 175.35 174.36 2ppa s ILE 175 N -3.45 0.91 0.07 3.79 2.07 -1.26 -1.39 121.20 121.94 2ppa s ILE 175 Ca 0.01 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.77 2ppa s ILE 175 Cb 0.02 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 2ppa s ILE 175 CO -0.09 0.22 -0.19 -0.31 -1.91 0.00 0.00 174.94 172.66 2ppa s TYR 176 N -0.35 1.62 -0.28 3.50 2.02 -0.36 -4.50 117.35 119.00 2ppa s TYR 176 Ca 0.04 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2ppa s TYR 176 Cb -0.05 -0.93 0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2ppa s TYR 176 CO -0.00 0.12 -0.02 -0.47 -1.57 0.00 0.00 175.55 173.61 2ppa s TYR 177 N -0.99 3.17 -0.42 2.71 5.04 0.41 -0.98 117.35 126.30 2ppa s TYR 177 Ca 0.05 -1.66 -0.13 0.00 -2.44 0.00 0.00 57.07 52.89 2ppa s TYR 177 Cb -0.09 -2.10 0.04 0.00 0.35 0.00 0.00 41.96 40.16 2ppa s TYR 177 CO 0.03 -0.75 0.29 0.08 -1.34 0.00 0.00 175.55 173.85 2ppa s VAL 178 N 1.31 4.87 -0.17 3.14 1.01 0.65 -4.20 120.40 127.01 2ppa s VAL 178 Ca -0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2ppa s VAL 178 Cb -0.18 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2ppa s VAL 178 CO -0.02 -0.38 0.32 -0.83 0.00 0.00 0.00 175.10 174.19 2ppa s GLY 179 N 1.92 2.18 -0.13 4.51 0.00 -1.26 -1.91 107.32 112.63 2ppa s GLY 179 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 2ppa s GLY 179 CO 0.07 0.54 0.02 1.85 0.00 0.00 0.00 173.10 175.58 2ppa s GLU 180 N 0.71 3.47 -0.08 2.90 2.12 -0.45 -1.92 118.70 125.45 2ppa s GLU 180 Ca 0.17 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2ppa s GLU 180 Cb -0.14 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.30 2ppa s GLU 180 CO 0.05 0.47 -0.10 -1.14 -0.54 0.00 0.00 175.26 174.01 2ppa s GLN 181 N -0.23 1.58 -0.16 4.30 2.00 0.10 -4.52 119.66 122.73 2ppa s GLN 181 Ca 0.06 -0.33 -0.19 0.00 -2.00 0.00 0.00 55.36 52.90 2ppa s GLN 181 Cb -0.12 -1.44 -0.03 0.00 0.80 0.00 0.00 33.01 32.21 2ppa s GLN 181 CO 0.02 -0.09 0.53 0.16 -0.50 0.00 0.00 175.29 175.41 2ppa s ASP 182 N 1.08 6.65 0.14 6.67 3.84 -1.26 -0.85 116.67 132.94 2ppa s ASP 182 Ca -0.07 0.78 0.10 0.00 -0.00 0.00 0.00 52.55 53.35 2ppa s ASP 182 Cb -0.14 -2.31 -0.04 0.00 -1.38 0.00 0.00 42.92 39.05 2ppa s ASP 182 CO -0.01 -0.13 -0.19 -0.36 -0.00 0.00 0.00 175.17 174.48 2ppa s PHE 183 N 1.30 2.48 -0.56 2.11 0.08 0.01 -4.76 117.98 118.64 2ppa s PHE 183 Ca 0.26 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.07 2ppa s PHE 183 Cb -0.16 -1.29 0.18 0.00 -0.57 0.00 0.00 43.02 41.19 2ppa s PHE 183 CO 0.10 0.42 0.45 0.66 -0.10 0.00 0.00 175.22 176.75 2ppa n TYR 184 N 0.59 1.25 -3.29 0.36 4.02 -1.26 -1.15 117.16 117.68 2ppa n TYR 184 Ca -0.15 -3.82 -0.39 0.00 -0.01 0.00 0.00 57.90 53.53 2ppa n TYR 184 Cb 0.54 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 2ppa n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2ppa s VAL 185 N -0.85 5.12 0.58 -0.72 1.01 -1.26 -4.74 120.40 119.53 2ppa s VAL 185 Ca 0.30 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.88 2ppa s VAL 185 Cb 0.02 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2ppa s VAL 185 CO -0.17 0.15 1.26 -2.65 0.00 0.00 0.00 175.10 173.68 2ppa n PRO 186 N 5.17 1.38 -4.41 2.72 -0.02 -1.26 -4.85 135.00 133.73 2ppa n PRO 186 Ca -0.06 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 2ppa n PRO 186 Cb 0.50 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 2ppa n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ppa s ARG 187 N -2.97 1.77 0.00 -0.52 0.52 -1.26 -0.63 118.95 115.86 2ppa s ARG 187 Ca 0.75 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2ppa s ARG 187 Cb -0.41 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 32.97 2ppa s ARG 187 CO 0.47 0.49 0.00 -0.40 0.02 0.00 0.00 175.30 175.87 2ppa n ASP 188 N 1.00 -0.31 0.18 0.23 5.68 0.15 -4.85 116.55 118.63 2ppa n ASP 188 Ca -0.16 -0.74 0.04 0.00 -0.50 0.00 0.00 54.79 53.43 2ppa n ASP 188 Cb 0.53 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.83 2ppa n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ppa h GLU 189 N 0.00 0.00 -0.36 0.11 4.39 -2.02 -2.27 114.58 114.43 2ppa h GLU 189 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ppa h GLU 189 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ppa h GLU 189 CO 0.00 0.41 0.00 0.09 -1.16 0.00 0.00 179.01 178.35 2ppa n ASN 190 N -3.66 2.31 -0.00 1.42 3.02 -1.26 -4.93 115.26 112.16 2ppa n ASN 190 Ca -0.01 -1.92 -0.00 0.00 -0.03 0.00 0.00 54.58 52.63 2ppa n ASN 190 Cb 0.50 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2ppa n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ppa n GLY 191 N 1.22 0.40 3.87 7.41 0.00 -0.85 -5.04 105.19 112.21 2ppa n GLY 191 Ca 0.16 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2ppa n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppa s LYS 192 N -1.69 3.73 0.24 1.61 -0.14 -1.26 -4.77 119.74 117.44 2ppa s LYS 192 Ca 0.00 0.12 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 2ppa s LYS 192 Cb 0.00 -2.96 -0.10 0.00 -1.68 0.00 0.00 37.83 33.09 2ppa s LYS 192 CO 0.00 0.54 1.39 0.71 -0.76 0.00 0.00 175.35 177.22 2ppa s TYR 193 N -1.46 3.10 0.37 3.18 1.51 -1.26 0.31 117.35 123.11 2ppa s TYR 193 Ca 0.35 1.12 -0.19 0.00 -1.01 0.00 0.00 57.07 57.33 2ppa s TYR 193 Cb -0.13 -3.74 -0.10 0.00 -0.11 0.00 0.00 41.96 37.88 2ppa s TYR 193 CO 0.19 -2.35 0.86 0.15 -1.11 0.00 0.00 175.55 173.30 2ppa s LYS 194 N -0.36 4.17 0.08 -0.62 1.02 0.20 -4.83 119.74 119.39 2ppa s LYS 194 Ca 0.58 0.95 0.06 0.00 0.02 0.00 0.00 55.97 57.58 2ppa s LYS 194 Cb -0.40 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2ppa s LYS 194 CO 0.42 0.08 -0.10 0.15 -0.92 0.00 0.00 175.35 174.98 2ppa s LYS 195 N -2.99 2.22 0.01 1.68 1.02 -1.26 -4.78 119.74 115.64 2ppa s LYS 195 Ca 0.58 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.63 2ppa s LYS 195 Cb -0.10 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 2ppa s LYS 195 CO 0.16 0.53 -0.08 0.71 -0.92 0.00 0.00 175.35 175.75 2ppa s TYR 196 N -1.15 0.67 -0.02 3.18 2.02 -1.26 -5.07 117.35 115.72 2ppa s TYR 196 Ca 0.20 -0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 56.40 2ppa s TYR 196 Cb -0.11 -0.41 -0.20 0.00 -0.40 0.00 0.00 41.96 40.84 2ppa s TYR 196 CO 0.12 -0.03 1.25 0.93 -1.57 0.00 0.00 175.55 176.25 2ppa h GLU 197 N 5.45 0.05 -6.61 -0.62 5.08 -2.01 -3.45 114.58 112.46 2ppa h GLU 197 Ca -0.32 -0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.36 2ppa h GLU 197 Cb 1.19 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.26 2ppa h GLU 197 CO 0.47 0.55 -0.80 0.00 -1.00 0.00 0.00 179.01 178.22 2ppa s ALA 198 N -4.15 2.63 0.36 3.43 0.00 -1.26 -5.03 121.76 117.74 2ppa s ALA 198 Ca -0.16 -1.57 0.13 0.00 0.00 0.00 0.00 51.96 50.36 2ppa s ALA 198 Cb 0.02 -0.45 0.94 0.00 0.00 0.00 0.00 23.12 23.63 2ppa s ALA 198 CO 0.69 0.46 1.78 -1.35 0.00 0.00 0.00 175.76 177.34 2ppa h PRO 199 N 3.24 0.54 -0.55 0.00 0.11 -1.95 -2.21 132.00 131.17 2ppa h PRO 199 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2ppa h PRO 199 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2ppa h PRO 199 CO 0.48 0.35 0.16 0.78 -0.21 0.00 0.00 178.00 179.57 2ppa h GLY 200 N 0.55 0.89 2.00 -0.55 0.00 -1.99 -2.53 103.07 101.44 2ppa h GLY 200 Ca 0.58 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2ppa h GLY 200 CO -0.33 0.46 -0.05 -0.55 0.00 0.00 0.00 176.54 176.07 2ppa h ASP 201 N 0.81 0.00 1.40 0.19 3.45 -1.81 -2.65 116.42 117.80 2ppa h ASP 201 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 2ppa h ASP 201 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2ppa h ASP 201 CO -0.01 0.05 -0.45 0.00 -1.57 0.00 0.00 179.24 177.27 2ppa h ALA 202 N 1.95 0.76 0.01 3.45 0.00 -1.52 -3.42 119.26 120.49 2ppa h ALA 202 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ppa h ALA 202 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2ppa h ALA 202 CO 0.01 0.00 -0.32 -0.92 0.00 0.00 0.00 179.25 178.01 2ppa h TYR 203 N 0.00 -0.95 -0.59 0.00 5.03 -1.49 -0.18 116.97 118.79 2ppa h TYR 203 Ca 0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.38 2ppa h TYR 203 Cb 0.92 0.41 -0.05 0.00 1.55 0.00 0.00 36.73 39.57 2ppa h TYR 203 CO 0.00 -0.35 0.34 0.93 -1.32 0.00 0.00 178.16 177.76 2ppa h GLU 204 N -0.41 0.63 -0.57 1.82 4.39 -1.80 -0.14 114.58 118.50 2ppa h GLU 204 Ca 0.01 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2ppa h GLU 204 Cb 0.44 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2ppa h GLU 204 CO -0.21 0.42 0.16 -0.44 -1.16 0.00 0.00 179.01 177.77 2ppa h ASP 205 N 0.65 0.80 -0.13 1.42 3.45 -1.81 -2.65 116.42 118.15 2ppa h ASP 205 Ca 0.25 -0.14 -0.13 0.00 0.43 0.00 0.00 57.03 57.44 2ppa h ASP 205 Cb 0.10 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 2ppa h ASP 205 CO -0.14 0.77 -0.44 0.74 -1.57 0.00 0.00 179.24 178.60 2ppa h THR 206 N 0.83 1.36 -0.84 0.35 2.02 -0.24 -2.98 112.91 113.41 2ppa h THR 206 Ca 0.19 -1.73 0.10 0.00 0.77 0.00 0.00 66.41 65.73 2ppa h THR 206 Cb 0.27 2.08 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 2ppa h THR 206 CO -0.01 0.52 0.48 0.58 0.37 0.00 0.00 175.52 177.47 2ppa h VAL 207 N 0.16 0.90 -0.81 3.16 2.07 -0.99 0.15 116.25 120.90 2ppa h VAL 207 Ca -0.02 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.30 2ppa h VAL 207 Cb 1.06 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2ppa h VAL 207 CO 0.09 0.15 0.47 0.50 0.02 0.00 0.00 177.57 178.80 2ppa h LYS 208 N 0.80 0.81 -0.22 1.57 3.64 -1.36 -0.64 116.57 121.17 2ppa h LYS 208 Ca 0.41 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 2ppa h LYS 208 Cb 0.38 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2ppa h LYS 208 CO -0.25 0.54 -0.37 0.28 -2.27 0.00 0.00 179.45 177.38 2ppa h VAL 209 N 0.84 1.32 -0.84 2.00 2.07 -1.10 -2.90 116.25 117.63 2ppa h VAL 209 Ca 0.37 -1.59 0.14 0.00 0.82 0.00 0.00 66.70 66.44 2ppa h VAL 209 Cb 0.25 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 2ppa h VAL 209 CO -0.20 0.49 0.43 0.24 0.02 0.00 0.00 177.57 178.55 2ppa h MET 210 N 0.33 0.60 0.00 1.57 2.86 -0.28 -1.29 114.93 118.73 2ppa h MET 210 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2ppa h MET 210 Cb 0.97 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 2ppa h MET 210 CO 0.08 0.40 -0.05 0.00 1.06 0.00 0.00 176.91 178.40 2ppa h ARG 211 N 0.62 0.00 0.00 1.72 3.08 -0.92 0.15 114.38 119.03 2ppa h ARG 211 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2ppa h ARG 211 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2ppa h ARG 211 CO -0.36 0.05 0.00 1.79 -1.07 0.00 0.00 179.97 180.38 2ppa h THR 212 N 0.00 0.00 -1.79 2.04 1.35 -1.21 -3.46 112.91 109.84 2ppa h THR 212 Ca -0.00 -0.26 -0.40 0.00 -0.55 0.00 0.00 66.41 65.20 2ppa h THR 212 Cb 0.16 1.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.51 2ppa h THR 212 CO 0.01 0.00 -0.41 0.18 -0.25 0.00 0.00 175.52 175.04 2ppa n LEU 213 N -2.44 -1.57 -3.90 3.87 4.77 0.52 -4.95 117.00 113.30 2ppa n LEU 213 Ca 0.01 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 2ppa n LEU 213 Cb 0.23 -2.76 -0.15 0.00 -2.33 0.00 0.00 43.42 38.40 2ppa n LEU 213 CO 0.20 -0.74 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.29 2ppa s THR 214 N -2.77 1.63 0.52 -5.08 2.01 -1.26 -5.11 115.64 105.57 2ppa s THR 214 Ca 0.00 -1.81 -0.21 0.00 0.31 0.00 0.00 61.69 59.98 2ppa s THR 214 Cb 0.00 -2.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 2ppa s THR 214 CO 0.00 -0.55 1.23 -2.16 -0.69 0.00 0.00 174.62 172.45 2ppa s PRO 215 N 1.25 3.36 0.28 4.92 0.04 -1.26 -4.90 135.00 138.69 2ppa s PRO 215 Ca 0.08 1.92 0.15 0.00 0.04 0.00 0.00 61.00 63.19 2ppa s PRO 215 Cb -0.18 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 32.25 2ppa s PRO 215 CO -0.14 -0.92 1.47 1.79 0.04 0.00 0.00 177.00 179.23 2ppa h THR 216 N 1.47 0.91 -3.52 1.26 1.35 -1.49 -3.46 112.91 109.43 2ppa h THR 216 Ca -0.50 -2.21 -0.20 0.00 -0.55 0.00 0.00 66.41 62.94 2ppa h THR 216 Cb 1.28 2.40 -0.27 0.00 -1.73 0.00 0.00 68.15 69.83 2ppa h THR 216 CO 0.58 0.51 -0.61 -1.00 -0.25 0.00 0.00 175.52 174.75 2ppa s HIS 217 N -3.01 -0.08 -0.13 4.73 3.76 -1.15 -4.84 115.29 114.57 2ppa s HIS 217 Ca 0.03 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2ppa s HIS 217 Cb 0.08 0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.84 2ppa s HIS 217 CO 0.74 -0.07 0.00 0.08 -0.85 0.00 0.00 174.74 174.65 2ppa s VAL 218 N -0.07 0.55 0.07 -0.90 1.01 -0.40 -0.81 120.40 119.85 2ppa s VAL 218 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2ppa s VAL 218 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2ppa s VAL 218 CO 0.00 0.08 -0.06 0.68 0.00 0.00 0.00 175.10 175.80 2ppa s VAL 219 N 1.88 0.53 -0.10 2.92 -7.23 -0.03 -0.53 120.40 117.84 2ppa s VAL 219 Ca 0.02 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2ppa s VAL 219 Cb -0.14 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2ppa s VAL 219 CO -0.07 -0.76 0.04 -0.36 -0.31 0.00 0.00 175.10 173.64 2ppa s PHE 220 N -3.03 3.27 -1.43 2.82 0.08 -1.26 0.01 117.98 118.45 2ppa s PHE 220 Ca 0.04 0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.29 2ppa s PHE 220 Cb 0.01 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2ppa s PHE 220 CO -0.04 0.52 0.57 -1.71 -0.10 0.00 0.00 175.22 174.46 2ppa n ASN 221 N 2.16 -5.06 0.00 1.36 4.05 -0.81 -3.06 115.26 113.89 2ppa n ASN 221 Ca -0.19 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.50 2ppa n ASN 221 Cb 0.54 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.43 2ppa n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ppa n GLY 222 N -1.38 1.74 3.44 8.20 0.00 -0.87 -4.79 105.19 111.53 2ppa n GLY 222 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2ppa n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa s ALA 223 N -2.83 -1.50 0.13 4.61 0.00 -1.17 -4.55 121.76 116.44 2ppa s ALA 223 Ca 0.00 0.92 -0.35 0.00 0.00 0.00 0.00 51.96 52.53 2ppa s ALA 223 Cb 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 23.12 23.16 2ppa s ALA 223 CO 0.00 -0.43 1.49 0.28 0.00 0.00 0.00 175.76 177.10 2ppa n VAL 224 N 0.71 0.01 -1.35 0.00 0.31 0.66 -1.70 118.33 116.97 2ppa n VAL 224 Ca -0.19 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2ppa n VAL 224 Cb 0.58 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 2ppa n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppa n GLY 225 N 3.08 1.21 0.36 2.92 0.00 -1.26 -4.75 105.19 106.76 2ppa n GLY 225 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2ppa n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa h ALA 226 N 0.00 1.55 -1.25 4.61 0.00 -1.53 -2.78 119.26 119.86 2ppa h ALA 226 Ca -0.24 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 53.90 2ppa h ALA 226 Cb 1.02 -0.25 -0.30 0.00 0.00 0.00 0.00 17.79 18.26 2ppa h ALA 226 CO 0.36 0.30 0.71 1.28 0.00 0.00 0.00 179.25 181.90 2ppa n LEU 227 N -4.50 6.90 -4.28 0.00 4.77 -1.26 -4.74 117.00 113.89 2ppa n LEU 227 Ca 0.14 -5.14 -0.16 0.00 -0.03 0.00 0.00 56.01 50.83 2ppa n LEU 227 Cb 0.23 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 2ppa n LEU 227 CO 0.32 1.96 -0.22 0.42 -1.33 0.00 0.00 177.39 178.55 2ppa s THR 228 N -4.84 0.23 0.00 -5.08 -4.23 -1.05 -1.24 115.64 99.43 2ppa s THR 228 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2ppa s THR 228 Cb 0.34 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2ppa s THR 228 CO -0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2ppa n GLY 229 N -0.44 2.74 0.00 3.99 0.00 -1.26 -1.64 105.19 108.58 2ppa n GLY 229 Ca 0.02 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.86 2ppa n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ppa n ASP 230 N 4.49 0.00 -0.97 1.61 5.75 -1.26 -1.53 116.55 124.64 2ppa n ASP 230 Ca 0.00 -0.34 0.09 0.00 -0.01 0.00 0.00 54.79 54.53 2ppa n ASP 230 Cb 0.00 -0.18 0.20 0.00 -1.03 0.00 0.00 41.12 40.11 2ppa n ASP 230 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ppa n LYS 231 N -1.18 2.40 -1.92 0.11 4.76 -0.65 -4.99 118.16 116.69 2ppa n LYS 231 Ca 0.15 -2.16 -0.38 0.00 -2.87 0.00 0.00 58.31 53.04 2ppa n LYS 231 Cb 0.16 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 31.95 2ppa n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ppa s ALA 232 N -1.19 2.89 0.76 7.82 0.00 -0.58 -3.81 121.76 127.65 2ppa s ALA 232 Ca 0.34 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 2ppa s ALA 232 Cb 0.19 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.84 2ppa s ALA 232 CO 0.26 -1.16 1.09 -1.64 0.00 0.00 0.00 175.76 174.30 2ppa s MET 233 N -2.81 2.35 0.04 0.00 -1.94 -0.33 -4.84 119.30 111.77 2ppa s MET 233 Ca 0.69 1.17 0.03 0.00 -1.71 0.00 0.00 55.69 55.87 2ppa s MET 233 Cb -0.37 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 2ppa s MET 233 CO 0.45 -1.57 -0.09 0.95 -0.01 0.00 0.00 175.02 174.74 2ppa s THR 234 N -2.87 0.69 0.35 2.05 -4.23 -1.26 -0.65 115.64 109.73 2ppa s THR 234 Ca 0.61 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 60.08 2ppa s THR 234 Cb -0.17 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.00 2ppa s THR 234 CO 0.55 -0.22 0.60 0.00 -0.54 0.00 0.00 174.62 175.01 2ppa n ALA 235 N 1.74 -0.99 -2.34 3.99 0.00 -0.59 -4.93 120.51 117.39 2ppa n ALA 235 Ca -0.20 -1.36 -0.11 0.00 0.00 0.00 0.00 53.44 51.77 2ppa n ALA 235 Cb 0.55 1.09 -0.10 0.00 0.00 0.00 0.00 19.45 20.99 2ppa n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppa s ALA 236 N -2.36 0.86 0.19 0.00 0.00 -1.26 -1.77 121.76 117.42 2ppa s ALA 236 Ca 0.21 -1.20 -0.33 0.00 0.00 0.00 0.00 51.96 50.64 2ppa s ALA 236 Cb -0.03 0.14 -0.14 0.00 0.00 0.00 0.00 23.12 23.09 2ppa s ALA 236 CO 0.15 -0.19 1.53 0.28 0.00 0.00 0.00 175.76 177.54 2ppa n VAL 237 N 0.34 0.34 0.00 0.00 0.31 -0.24 -0.94 118.33 118.14 2ppa n VAL 237 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2ppa n VAL 237 Cb 0.59 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2ppa n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppa n GLY 238 N 2.98 1.91 3.74 2.92 0.00 1.00 -4.99 105.19 112.75 2ppa n GLY 238 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ppa n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppa s GLU 239 N -0.53 4.69 -0.32 1.61 2.12 -0.12 -4.78 118.70 121.37 2ppa s GLU 239 Ca 0.00 1.54 -0.12 0.00 0.36 0.00 0.00 54.97 56.75 2ppa s GLU 239 Cb 0.00 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2ppa s GLU 239 CO 0.00 0.22 0.23 0.15 -0.54 0.00 0.00 175.26 175.33 2ppa s LYS 240 N -0.33 3.63 -0.10 4.30 1.02 -1.26 -1.93 119.74 125.07 2ppa s LYS 240 Ca 0.47 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2ppa s LYS 240 Cb -0.26 -3.76 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 2ppa s LYS 240 CO 0.32 -0.37 -0.24 0.08 -0.92 0.00 0.00 175.35 174.22 2ppa s VAL 241 N 1.74 2.10 -0.23 3.17 1.01 0.02 0.22 120.40 128.44 2ppa s VAL 241 Ca 0.07 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 2ppa s VAL 241 Cb -0.17 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2ppa s VAL 241 CO 0.11 0.56 0.26 -0.22 0.00 0.00 0.00 175.10 175.81 2ppa s LEU 242 N 0.31 4.12 -0.30 3.92 2.96 -0.48 -1.40 118.68 127.81 2ppa s LEU 242 Ca -0.18 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2ppa s LEU 242 Cb -0.18 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.27 2ppa s LEU 242 CO 0.09 -0.01 0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 2ppa s ILE 243 N 1.24 3.49 -0.10 6.68 1.01 0.94 -1.22 121.20 133.24 2ppa s ILE 243 Ca 0.12 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 2ppa s ILE 243 Cb -0.14 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2ppa s ILE 243 CO 0.06 -0.03 0.42 -0.69 0.00 0.00 0.00 174.94 174.70 2ppa s VAL 244 N 1.38 5.18 -0.04 2.92 1.01 -0.15 -1.02 120.40 129.67 2ppa s VAL 244 Ca -0.01 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2ppa s VAL 244 Cb -0.18 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2ppa s VAL 244 CO 0.01 0.39 -0.11 -2.28 0.00 0.00 0.00 175.10 173.10 2ppa s HIS 245 N 0.23 1.25 0.13 5.22 2.46 0.08 -0.25 115.29 124.41 2ppa s HIS 245 Ca 0.23 -0.37 0.07 0.00 0.47 0.00 0.00 55.06 55.46 2ppa s HIS 245 Cb -0.15 -0.89 -0.04 0.00 -0.13 0.00 0.00 32.58 31.37 2ppa s HIS 245 CO 0.10 -0.17 -0.15 -1.54 -2.47 0.00 0.00 174.74 170.51 2ppa s SER 246 N 0.32 2.16 -0.24 9.88 1.04 -0.80 -0.69 113.70 125.37 2ppa s SER 246 Ca -0.07 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 2ppa s SER 246 Cb -0.12 -0.09 0.13 0.00 0.10 0.00 0.00 66.02 66.05 2ppa s SER 246 CO 0.02 -0.12 0.36 -1.58 0.98 0.00 0.00 173.24 172.90 2ppa s GLN 247 N -2.70 0.34 0.26 4.02 -0.44 -0.75 -1.34 119.66 119.05 2ppa s GLN 247 Ca 0.10 0.44 0.25 0.00 -2.50 0.00 0.00 55.36 53.66 2ppa s GLN 247 Cb -0.05 -0.55 0.72 0.00 -1.64 0.00 0.00 33.01 31.50 2ppa s GLN 247 CO 0.04 -0.69 1.74 0.00 0.50 0.00 0.00 175.29 176.88 2ppa h ALA 248 N 8.20 1.00 0.00 1.58 0.00 -1.81 0.39 119.26 128.62 2ppa h ALA 248 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ppa h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ppa h ALA 248 CO 0.28 0.00 -0.53 -1.71 0.00 0.00 0.00 179.25 177.29 2ppa n ASN 249 N -2.44 2.63 -3.83 0.00 5.15 -1.26 -2.95 115.26 112.56 2ppa n ASN 249 Ca 0.05 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.91 2ppa n ASN 249 Cb 0.44 0.44 -0.11 0.00 -0.53 0.00 0.00 39.78 40.03 2ppa n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2ppa s ARG 250 N -1.20 0.37 0.58 1.20 3.52 -1.26 -4.67 118.95 117.49 2ppa s ARG 250 Ca 0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 55.73 55.37 2ppa s ARG 250 Cb 0.00 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 2ppa s ARG 250 CO 0.00 -0.08 1.12 -0.25 -0.81 0.00 0.00 175.30 175.28 2ppa n ASP 251 N 2.22 1.50 -4.10 -2.12 10.43 -1.26 -3.59 116.55 119.62 2ppa n ASP 251 Ca -0.17 0.87 -0.09 0.00 2.57 0.00 0.00 54.79 57.97 2ppa n ASP 251 Cb 0.57 -1.46 -0.10 0.00 1.84 0.00 0.00 41.12 41.98 2ppa n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2ppa s THR 252 N -1.41 0.13 -0.45 -3.53 -1.32 -0.34 -4.84 115.64 103.87 2ppa s THR 252 Ca 0.75 -1.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.48 2ppa s THR 252 Cb -0.42 -1.86 0.18 0.00 -1.51 0.00 0.00 72.50 68.88 2ppa s THR 252 CO 0.47 -0.59 0.38 -2.11 -2.21 0.00 0.00 174.62 170.57 2ppa n ARG 253 N -0.06 0.49 -1.90 7.08 1.85 -1.26 -1.51 116.66 121.36 2ppa n ARG 253 Ca -0.08 -3.38 -0.38 0.00 -1.00 0.00 0.00 57.85 53.01 2ppa n ARG 253 Cb 0.63 -1.73 0.03 0.00 -1.05 0.00 0.00 32.46 30.34 2ppa n ARG 253 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2ppa s PRO 254 N -0.29 3.24 -0.21 2.89 0.02 -1.07 -0.20 135.00 139.38 2ppa s PRO 254 Ca 0.32 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.34 2ppa s PRO 254 Cb 0.04 -2.25 0.07 0.00 0.02 0.00 0.00 34.50 32.38 2ppa s PRO 254 CO -0.19 -1.07 0.49 -1.58 -0.33 0.00 0.00 177.00 174.32 2ppa s HIS 255 N -1.38 -0.78 -0.56 6.54 2.46 -0.18 -1.46 115.29 119.94 2ppa s HIS 255 Ca 0.71 1.58 -0.19 0.00 0.47 0.00 0.00 55.06 57.62 2ppa s HIS 255 Cb -0.37 0.39 0.08 0.00 -0.13 0.00 0.00 32.58 32.55 2ppa s HIS 255 CO 0.44 -0.43 0.69 -1.17 -2.47 0.00 0.00 174.74 171.80 2ppa s LEU 256 N 1.76 5.14 -0.16 8.88 2.96 -1.26 -1.01 118.68 134.98 2ppa s LEU 256 Ca -0.08 -1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 52.36 2ppa s LEU 256 Cb -0.08 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2ppa s LEU 256 CO -0.15 -1.04 1.69 -0.63 -1.32 0.00 0.00 176.35 174.90 2ppa s ILE 257 N 2.75 3.59 0.00 6.68 1.01 0.18 -0.93 121.20 134.47 2ppa s ILE 257 Ca 0.14 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2ppa s ILE 257 Cb -0.22 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2ppa s ILE 257 CO 0.09 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.44 2ppa n GLY 258 N 4.59 1.02 0.00 6.18 0.00 -1.26 -3.42 105.19 112.30 2ppa n GLY 258 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ppa n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppa n GLY 259 N -1.94 5.86 3.64 -0.02 0.00 -0.11 -4.99 105.19 107.64 2ppa n GLY 259 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 2ppa n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ppa s HIS 260 N 1.17 0.58 -0.44 1.61 0.09 -1.26 -4.75 115.29 112.30 2ppa s HIS 260 Ca 0.00 -1.01 -0.06 0.00 -0.00 0.00 0.00 55.06 53.99 2ppa s HIS 260 Cb 0.00 0.33 0.11 0.00 -0.00 0.00 0.00 32.58 33.02 2ppa s HIS 260 CO 0.00 -1.30 0.27 0.20 -0.00 0.00 0.00 174.74 173.92 2ppa s GLY 261 N -3.14 2.01 0.16 -2.22 0.00 -0.37 -4.75 107.32 99.01 2ppa s GLY 261 Ca 0.23 -2.50 -0.14 0.00 0.00 0.00 0.00 44.72 42.31 2ppa s GLY 261 CO 0.15 1.06 1.77 -0.55 0.00 0.00 0.00 173.10 175.54 2ppa h ASP 262 N 8.27 0.63 -3.35 1.64 3.32 -1.38 0.95 116.42 126.51 2ppa h ASP 262 Ca -0.18 -0.09 -0.49 0.00 0.02 0.00 0.00 57.03 56.30 2ppa h ASP 262 Cb 1.06 -0.16 -0.35 0.00 0.22 0.00 0.00 39.33 40.10 2ppa h ASP 262 CO 0.78 0.54 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.73 2ppa s TYR 263 N -5.87 1.26 -0.15 4.55 1.51 -0.90 -2.21 117.35 115.53 2ppa s TYR 263 Ca -0.13 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.43 2ppa s TYR 263 Cb 0.12 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 41.00 2ppa s TYR 263 CO 0.76 -0.33 -0.07 0.08 -1.11 0.00 0.00 175.55 174.88 2ppa s VAL 264 N 1.09 1.14 -1.11 0.71 1.01 0.56 -0.27 120.40 123.52 2ppa s VAL 264 Ca -0.07 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2ppa s VAL 264 Cb -0.14 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 35.11 2ppa s VAL 264 CO -0.01 0.21 1.39 0.26 0.00 0.00 0.00 175.10 176.95 2ppa s TRP 265 N 1.63 3.15 0.38 5.22 0.51 -0.02 -0.43 118.94 129.39 2ppa s TRP 265 Ca 0.02 -1.66 0.08 0.00 -2.12 0.00 0.00 56.10 52.42 2ppa s TRP 265 Cb -0.14 -4.42 0.76 0.00 -0.81 0.00 0.00 33.47 28.86 2ppa s TRP 265 CO -0.08 -1.56 1.93 0.00 -0.51 0.00 0.00 176.95 176.73 2ppa h ALA 266 N 8.07 1.51 0.00 0.98 0.00 -1.89 0.19 119.26 128.12 2ppa h ALA 266 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ppa h ALA 266 Cb 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ppa h ALA 266 CO 1.26 0.35 -0.27 0.25 0.00 0.00 0.00 179.25 180.83 2ppa n THR 267 N -4.31 0.25 -0.80 0.00 -2.24 -1.26 -4.52 114.28 101.40 2ppa n THR 267 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2ppa n THR 267 Cb 0.23 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2ppa n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppa n GLY 268 N 1.41 0.74 3.35 3.38 0.00 0.02 -4.73 105.19 109.36 2ppa n GLY 268 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2ppa n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppa s LYS 269 N -0.20 3.45 0.42 1.61 -0.14 -1.26 -0.12 119.74 123.51 2ppa s LYS 269 Ca 0.00 -0.59 0.28 0.00 -1.36 0.00 0.00 55.97 54.30 2ppa s LYS 269 Cb 0.00 -3.05 0.96 0.00 -1.68 0.00 0.00 37.83 34.05 2ppa s LYS 269 CO 0.00 -0.15 1.81 0.74 -0.76 0.00 0.00 175.35 176.99 2ppa h PHE 270 N 7.99 0.00 -0.00 3.18 0.05 -1.76 -1.20 116.94 125.20 2ppa h PHE 270 Ca -0.40 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.39 2ppa h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 2ppa h PHE 270 CO 0.60 0.00 -0.12 0.09 -0.18 0.00 0.00 178.31 178.70 2ppa n ASN 271 N -2.83 0.12 -4.60 2.17 3.02 -1.26 -4.62 115.26 107.27 2ppa n ASN 271 Ca 0.02 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.46 2ppa n ASN 271 Cb 0.37 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 2ppa n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ppa s THR 272 N -2.98 5.05 0.35 3.41 2.01 -0.45 -5.04 115.64 117.99 2ppa s THR 272 Ca 0.14 0.71 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 2ppa s THR 272 Cb 0.19 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.71 2ppa s THR 272 CO 0.57 -0.01 1.27 -2.65 -0.69 0.00 0.00 174.62 173.10 2ppa n PRO 273 N 5.62 2.05 -2.39 4.92 -0.02 -1.26 -4.81 135.00 139.10 2ppa n PRO 273 Ca -0.04 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2ppa n PRO 273 Cb 0.49 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2ppa n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ppa s PRO 274 N -1.90 3.71 0.68 0.52 0.04 -1.26 -4.93 135.00 131.86 2ppa s PRO 274 Ca 0.56 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 2ppa s PRO 274 Cb -0.57 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2ppa s PRO 274 CO 0.62 -0.55 1.08 -0.51 0.04 0.00 0.00 177.00 177.68 2ppa s ASP 275 N -1.72 5.21 0.17 6.66 1.01 0.43 -4.76 116.67 123.68 2ppa s ASP 275 Ca 0.67 1.78 0.07 0.00 0.71 0.00 0.00 52.55 55.78 2ppa s ASP 275 Cb -0.22 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 2ppa s ASP 275 CO 0.26 -1.56 -0.14 0.68 0.21 0.00 0.00 175.17 174.62 2ppa s VAL 276 N -2.75 1.58 -1.48 -1.27 -7.23 -1.26 -0.33 120.40 107.65 2ppa s VAL 276 Ca 0.62 -2.06 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2ppa s VAL 276 Cb -0.16 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2ppa s VAL 276 CO 0.49 -0.55 0.67 0.47 -0.31 0.00 0.00 175.10 175.86 2ppa n ASP 277 N -0.10 -5.63 -4.77 4.85 10.43 -0.94 -4.92 116.55 115.48 2ppa n ASP 277 Ca -0.10 -0.36 -0.39 0.00 2.57 0.00 0.00 54.79 56.51 2ppa n ASP 277 Cb 0.59 -4.55 -0.04 0.00 1.84 0.00 0.00 41.12 38.96 2ppa n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2ppa s GLN 278 N -5.88 4.46 -0.20 -1.24 -1.52 0.31 -4.83 119.66 110.76 2ppa s GLN 278 Ca 0.37 1.68 -0.19 0.00 -1.95 0.00 0.00 55.36 55.27 2ppa s GLN 278 Cb -0.17 -2.94 -0.16 0.00 -0.22 0.00 0.00 33.01 29.51 2ppa s GLN 278 CO 0.46 0.09 0.14 1.05 -0.25 0.00 0.00 175.29 176.78 2ppa h GLU 279 N 3.32 0.00 -3.55 2.91 4.11 -1.91 -0.97 114.58 118.50 2ppa h GLU 279 Ca -0.47 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.62 2ppa h GLU 279 Cb 1.21 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 2ppa h GLU 279 CO 0.65 0.82 -0.74 0.99 0.07 0.00 0.00 179.01 180.80 2ppa s THR 280 N -2.34 0.02 0.49 -1.06 2.01 -1.26 -4.35 115.64 109.14 2ppa s THR 280 Ca -0.26 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2ppa s THR 280 Cb 0.05 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.41 2ppa s THR 280 CO 0.52 0.13 0.41 -1.66 -0.69 0.00 0.00 174.62 173.34 2ppa s TRP 281 N 1.32 2.10 -0.06 4.92 -2.14 -0.53 -4.98 118.94 119.57 2ppa s TRP 281 Ca -0.06 -0.67 0.00 0.00 2.66 0.00 0.00 56.10 58.03 2ppa s TRP 281 Cb -0.13 -2.05 0.02 0.00 -3.10 0.00 0.00 33.47 28.21 2ppa s TRP 281 CO -0.03 -0.35 -0.05 0.12 -2.66 0.00 0.00 176.95 173.98 2ppa s PHE 282 N -2.63 0.92 -0.20 1.66 5.36 -1.26 -2.59 117.98 119.24 2ppa s PHE 282 Ca 0.43 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 56.10 2ppa s PHE 282 Cb -0.02 -0.83 0.03 0.00 -0.34 0.00 0.00 43.02 41.86 2ppa s PHE 282 CO 0.26 -0.28 -0.15 0.42 -1.46 0.00 0.00 175.22 174.01 2ppa s ILE 283 N 1.24 1.91 0.52 3.12 1.01 -0.57 -4.70 121.20 123.73 2ppa s ILE 283 Ca -0.06 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.34 2ppa s ILE 283 Cb -0.14 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2ppa s ILE 283 CO -0.02 0.32 1.08 -2.16 0.00 0.00 0.00 174.94 174.17 2ppa s PRO 284 N 1.31 3.57 0.30 2.79 0.04 -1.26 -1.19 135.00 140.55 2ppa s PRO 284 Ca 0.01 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 2ppa s PRO 284 Cb -0.15 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 2ppa s PRO 284 CO -0.10 -0.64 1.33 0.41 0.04 0.00 0.00 177.00 178.04 2ppa n GLY 285 N -0.07 0.64 0.85 0.56 0.00 -1.24 -2.31 105.19 103.63 2ppa n GLY 285 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2ppa n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppa n GLY 286 N 1.35 0.74 3.20 -0.02 0.00 0.13 -4.74 105.19 105.85 2ppa n GLY 286 Ca 0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2ppa n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa s ALA 287 N -2.00 0.05 0.13 4.61 0.00 -0.96 -4.76 121.76 118.83 2ppa s ALA 287 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2ppa s ALA 287 Cb 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2ppa s ALA 287 CO 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 175.76 175.06 2ppa s ALA 288 N -3.91 2.65 0.30 0.00 0.00 -1.26 -1.81 121.76 117.72 2ppa s ALA 288 Ca 0.09 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2ppa s ALA 288 Cb 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 2ppa s ALA 288 CO -0.08 0.57 0.09 0.20 0.00 0.00 0.00 175.76 176.55 2ppa s GLY 289 N -2.19 1.97 -0.12 0.00 0.00 0.14 -3.29 107.32 103.82 2ppa s GLY 289 Ca 0.18 -1.85 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 2ppa s GLY 289 CO 0.10 -1.69 0.32 0.00 0.00 0.00 0.00 173.10 171.83 2ppa s ALA 290 N -3.54 -0.79 -0.01 3.20 0.00 -1.01 -0.74 121.76 118.87 2ppa s ALA 290 Ca 0.36 1.01 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2ppa s ALA 290 Cb 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2ppa s ALA 290 CO 0.15 -0.18 -0.19 0.00 0.00 0.00 0.00 175.76 175.54 2ppa s ALA 291 N 0.54 1.58 -0.10 0.00 0.00 -0.19 -0.84 121.76 122.75 2ppa s ALA 291 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2ppa s ALA 291 Cb -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2ppa s ALA 291 CO -0.03 0.38 -0.17 0.12 0.00 0.00 0.00 175.76 176.06 2ppa s PHE 292 N -0.50 2.69 -0.06 0.00 2.19 0.63 -0.04 117.98 122.89 2ppa s PHE 292 Ca 0.07 -0.67 -0.05 0.00 0.33 0.00 0.00 56.93 56.61 2ppa s PHE 292 Cb -0.07 -1.75 0.02 0.00 -1.31 0.00 0.00 43.02 39.91 2ppa s PHE 292 CO -0.00 -0.20 0.16 -0.47 1.83 0.00 0.00 175.22 176.54 2ppa s TYR 293 N 0.11 -0.18 -0.34 10.12 5.04 -0.49 -1.03 117.35 130.58 2ppa s TYR 293 Ca -0.08 0.46 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 2ppa s TYR 293 Cb -0.15 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.19 2ppa s TYR 293 CO 0.05 -0.10 0.22 0.99 -1.34 0.00 0.00 175.55 175.37 2ppa s THR 294 N 0.24 5.04 0.30 4.34 2.01 -1.26 -0.80 115.64 125.51 2ppa s THR 294 Ca -0.01 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2ppa s THR 294 Cb -0.03 -3.61 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 2ppa s THR 294 CO -0.01 -0.02 1.51 -0.36 -0.69 0.00 0.00 174.62 175.05 2ppa s PHE 295 N 1.68 2.79 -0.05 4.92 0.40 -0.81 -4.86 117.98 122.05 2ppa s PHE 295 Ca 0.05 0.97 0.02 0.00 -0.60 0.00 0.00 56.93 57.37 2ppa s PHE 295 Cb -0.18 -3.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.35 2ppa s PHE 295 CO 0.09 -3.13 0.06 1.04 0.70 0.00 0.00 175.22 173.99 2ppa n GLN 296 N 1.72 3.03 -4.23 0.44 1.13 -1.26 -0.00 117.38 118.21 2ppa n GLN 296 Ca 0.06 -0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 54.94 2ppa n GLN 296 Cb 0.39 -0.83 -0.14 0.00 0.11 0.00 0.00 30.24 29.77 2ppa n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ppa s GLN 297 N -1.69 0.60 0.83 -1.09 -1.52 -1.26 -4.66 119.66 110.87 2ppa s GLN 297 Ca -0.00 -0.41 -0.12 0.00 -1.95 0.00 0.00 55.36 52.87 2ppa s GLN 297 Cb 0.01 -0.54 0.11 0.00 -0.22 0.00 0.00 33.01 32.37 2ppa s GLN 297 CO 0.08 0.14 1.19 -1.25 -0.25 0.00 0.00 175.29 175.21 2ppa s PRO 298 N -0.57 1.68 0.00 2.91 0.04 -1.26 -4.77 135.00 133.04 2ppa s PRO 298 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2ppa s PRO 298 Cb -0.05 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ppa s PRO 298 CO 0.00 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2ppa n GLY 299 N -3.38 -0.33 3.74 0.56 0.00 0.44 -4.93 105.19 101.30 2ppa n GLY 299 Ca 0.10 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2ppa n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppa s ILE 300 N -0.22 5.05 0.14 -0.61 -1.09 -1.26 -1.26 121.20 121.96 2ppa s ILE 300 Ca 0.00 1.18 0.09 0.00 -2.23 0.00 0.00 60.65 59.69 2ppa s ILE 300 Cb 0.00 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2ppa s ILE 300 CO 0.00 0.35 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.57 2ppa s TYR 301 N 0.33 2.50 -0.14 3.97 1.51 -0.43 -4.97 117.35 120.13 2ppa s TYR 301 Ca 0.31 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2ppa s TYR 301 Cb -0.17 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2ppa s TYR 301 CO 0.15 0.43 -0.05 0.00 -1.11 0.00 0.00 175.55 174.97 2ppa s ALA 302 N -1.33 2.97 -0.26 3.71 0.00 -1.22 -0.93 121.76 124.70 2ppa s ALA 302 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2ppa s ALA 302 Cb -0.10 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2ppa s ALA 302 CO 0.11 0.28 0.07 -0.47 0.00 0.00 0.00 175.76 175.75 2ppa s TYR 303 N 0.16 3.10 0.13 0.00 5.04 0.44 0.47 117.35 126.69 2ppa s TYR 303 Ca -0.02 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 2ppa s TYR 303 Cb -0.14 -2.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 2ppa s TYR 303 CO 0.03 -0.41 -0.06 0.14 -1.34 0.00 0.00 175.55 173.91 2ppa s VAL 304 N 1.59 0.81 -0.23 3.14 -7.23 -0.18 -0.34 120.40 117.95 2ppa s VAL 304 Ca 0.06 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 2ppa s VAL 304 Cb -0.16 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.94 2ppa s VAL 304 CO 0.03 -0.73 1.10 0.21 -0.31 0.00 0.00 175.10 175.40 2ppa s ASN 305 N -3.11 7.03 -0.10 4.85 3.84 -1.03 -1.01 114.94 125.41 2ppa s ASN 305 Ca 0.16 1.38 0.02 0.00 0.21 0.00 0.00 52.86 54.63 2ppa s ASN 305 Cb 0.05 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.40 2ppa s ASN 305 CO -0.01 -0.73 1.11 1.57 -2.79 0.00 0.00 177.10 176.25 2ppa n HIS 306 N 6.50 0.74 -2.80 0.43 -0.00 0.71 -3.70 115.22 117.11 2ppa n HIS 306 Ca 0.12 -0.64 -0.43 0.00 -0.00 0.00 0.00 57.72 56.77 2ppa n HIS 306 Cb 0.46 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.99 30.05 2ppa n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2ppa s ASN 307 N 0.19 6.38 0.53 0.26 3.84 -1.26 -4.93 114.94 119.94 2ppa s ASN 307 Ca 0.15 -0.22 0.30 0.00 0.21 0.00 0.00 52.86 53.30 2ppa s ASN 307 Cb 0.12 -2.45 1.38 0.00 -0.55 0.00 0.00 41.25 39.75 2ppa s ASN 307 CO 0.03 -1.24 2.01 -0.07 -2.79 0.00 0.00 177.10 175.04 2ppa h LEU 308 N 11.05 0.00 0.03 3.21 3.38 -1.99 0.11 115.31 131.09 2ppa h LEU 308 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ppa h LEU 308 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2ppa h LEU 308 CO 1.09 0.10 -0.01 0.40 0.09 0.00 0.00 178.44 180.11 2ppa h ILE 309 N 0.00 1.21 -0.67 1.22 2.04 -1.91 -0.52 117.51 118.88 2ppa h ILE 309 Ca -0.00 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.22 2ppa h ILE 309 Cb 0.47 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 2ppa h ILE 309 CO 0.01 0.19 0.30 -0.33 0.00 0.00 0.00 178.15 178.32 2ppa h GLU 310 N -0.36 0.50 -0.03 2.37 5.08 -1.44 0.12 114.58 120.82 2ppa h GLU 310 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ppa h GLU 310 Cb 0.34 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2ppa h GLU 310 CO 0.01 0.33 0.01 0.00 -1.00 0.00 0.00 179.01 178.35 2ppa h ALA 311 N 1.42 0.04 0.00 3.43 0.00 -0.78 -1.39 119.26 121.99 2ppa h ALA 311 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ppa h ALA 311 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ppa h ALA 311 CO -0.28 -0.32 -1.44 1.19 0.00 0.00 0.00 179.25 178.39 2ppa n PHE 312 N -4.93 0.00 -0.11 0.00 3.01 -0.21 -1.87 117.46 113.35 2ppa n PHE 312 Ca -0.07 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.25 2ppa n PHE 312 Cb 0.15 -0.25 -0.12 0.00 -0.01 0.00 0.00 39.48 39.25 2ppa n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2ppa n GLU 313 N -1.85 0.72 -0.00 -1.08 -0.58 0.32 -4.72 120.64 113.44 2ppa n GLU 313 Ca -0.02 0.09 0.09 0.00 -0.42 0.00 0.00 57.16 56.90 2ppa n GLU 313 Cb 0.31 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.58 2ppa n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ppa n LEU 314 N -3.02 0.41 0.00 -4.62 4.77 -0.67 -5.01 117.00 108.86 2ppa n LEU 314 Ca -0.38 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2ppa n LEU 314 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 2ppa n LEU 314 CO 0.29 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2ppa n GLY 315 N 1.42 0.69 2.64 -0.72 0.00 -0.62 -1.28 105.19 107.32 2ppa n GLY 315 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ppa n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppa n ALA 316 N 0.00 6.18 -3.73 4.61 0.00 0.31 -4.19 120.51 123.69 2ppa n ALA 316 Ca 0.00 -4.12 -0.15 0.00 0.00 0.00 0.00 53.44 49.18 2ppa n ALA 316 Cb 0.00 -2.98 -0.15 0.00 0.00 0.00 0.00 19.45 16.32 2ppa n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppa s ALA 317 N 0.14 -0.16 0.39 0.00 0.00 -1.24 -2.47 121.76 118.42 2ppa s ALA 317 Ca 0.49 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.10 2ppa s ALA 317 Cb 0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 2ppa s ALA 317 CO -0.05 -0.23 0.05 0.00 0.00 0.00 0.00 175.76 175.53 2ppa s ALA 318 N 1.39 3.28 0.11 0.00 0.00 0.54 -4.42 121.76 122.65 2ppa s ALA 318 Ca -0.07 -2.18 0.09 0.00 0.00 0.00 0.00 51.96 49.81 2ppa s ALA 318 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2ppa s ALA 318 CO -0.05 -0.09 -0.23 -1.01 0.00 0.00 0.00 175.76 174.38 2ppa s HIS 319 N -2.64 1.99 -0.03 0.00 3.76 -0.37 -0.42 115.29 117.57 2ppa s HIS 319 Ca 0.37 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2ppa s HIS 319 Cb 0.06 -1.09 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 2ppa s HIS 319 CO 0.19 0.25 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.17 2ppa s PHE 320 N -1.10 2.81 -0.20 1.40 0.08 -0.10 -1.19 117.98 119.67 2ppa s PHE 320 Ca 0.09 -0.08 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 2ppa s PHE 320 Cb -0.10 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2ppa s PHE 320 CO 0.05 0.28 0.01 0.15 -0.10 0.00 0.00 175.22 175.61 2ppa s LYS 321 N -0.99 3.65 -0.14 0.44 1.02 0.18 -1.31 119.74 122.59 2ppa s LYS 321 Ca 0.13 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2ppa s LYS 321 Cb -0.11 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2ppa s LYS 321 CO 0.03 0.02 -0.16 0.08 -0.92 0.00 0.00 175.35 174.39 2ppa s VAL 322 N 1.00 1.68 0.49 3.17 1.01 -0.39 -1.55 120.40 125.82 2ppa s VAL 322 Ca 0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2ppa s VAL 322 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ppa s VAL 322 CO 0.02 0.48 0.80 0.42 0.00 0.00 0.00 175.10 176.82 2ppa s THR 323 N 1.26 4.89 -3.27 3.92 -4.23 -0.73 -0.42 115.64 117.06 2ppa s THR 323 Ca 0.01 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2ppa s THR 323 Cb -0.14 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2ppa s THR 323 CO -0.08 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.76 2ppa n GLY 324 N -2.25 0.84 3.76 3.99 0.00 -1.26 -1.08 105.19 109.20 2ppa n GLY 324 Ca 0.01 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2ppa n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppa s GLU 325 N -1.17 4.12 0.31 1.61 2.02 -1.26 -4.65 118.70 119.68 2ppa s GLU 325 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 2ppa s GLU 325 Cb 0.00 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 2ppa s GLU 325 CO 0.00 0.38 1.30 -0.46 0.02 0.00 0.00 175.26 176.50 2ppa s TRP 326 N 0.01 3.11 -0.42 1.61 -0.11 -1.26 -4.43 118.94 117.44 2ppa s TRP 326 Ca 0.19 1.38 -0.07 0.00 1.22 0.00 0.00 56.10 58.82 2ppa s TRP 326 Cb -0.14 -3.66 0.09 0.00 -1.50 0.00 0.00 33.47 28.27 2ppa s TRP 326 CO 0.07 -1.84 0.25 1.21 -4.62 0.00 0.00 176.95 172.02 2ppa s ASN 327 N -0.35 5.52 0.26 5.86 3.84 -1.26 -4.95 114.94 123.86 2ppa s ASN 327 Ca 0.50 -1.71 0.25 0.00 0.21 0.00 0.00 52.86 52.12 2ppa s ASN 327 Cb -0.39 -1.94 0.86 0.00 -0.55 0.00 0.00 41.25 39.23 2ppa s ASN 327 CO 0.50 -0.56 1.75 0.44 -2.79 0.00 0.00 177.10 176.44 2ppa h ASP 328 N 8.31 0.00 -0.13 -4.21 5.19 -1.95 -2.52 116.42 121.11 2ppa h ASP 328 Ca -0.20 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2ppa h ASP 328 Cb 1.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.58 2ppa h ASP 328 CO 0.75 0.00 -0.01 -0.78 -3.12 0.00 0.00 179.24 176.09 2ppa h ASP 329 N 0.00 0.23 -0.52 6.45 -0.00 -2.02 -3.25 116.42 117.31 2ppa h ASP 329 Ca 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.03 56.65 2ppa h ASP 329 Cb 0.62 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.87 2ppa h ASP 329 CO 0.00 0.50 0.10 -0.07 -0.00 0.00 0.00 179.24 179.77 2ppa h LEU 330 N -0.05 0.81 -7.03 2.28 3.38 -1.96 -3.45 115.31 109.30 2ppa h LEU 330 Ca 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2ppa h LEU 330 Cb 0.39 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 40.71 2ppa h LEU 330 CO 0.01 0.85 0.04 -0.32 0.09 0.00 0.00 178.44 179.11 2ppa s MET 331 N -5.24 0.74 -0.04 1.13 0.00 -0.96 -5.14 119.30 109.79 2ppa s MET 331 Ca -0.13 1.05 -0.10 0.00 0.00 0.00 0.00 55.69 56.51 2ppa s MET 331 Cb 0.12 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.23 2ppa s MET 331 CO 0.80 -0.12 0.24 -0.08 0.00 0.00 0.00 175.02 175.86 2ppa s THR 332 N 0.92 0.04 -0.69 10.11 -1.32 -1.25 -3.99 115.64 119.47 2ppa s THR 332 Ca -0.04 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 2ppa s THR 332 Cb -0.05 -0.47 0.05 0.00 -1.51 0.00 0.00 72.50 70.53 2ppa s THR 332 CO -0.08 -0.20 1.09 -0.55 -2.21 0.00 0.00 174.62 172.67 2ppa s SER 333 N -0.80 6.17 0.16 8.08 0.15 -1.26 -4.87 113.70 121.33 2ppa s SER 333 Ca -0.09 -0.77 -0.10 0.00 0.70 0.00 0.00 55.95 55.69 2ppa s SER 333 Cb -0.05 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2ppa s SER 333 CO 0.02 -1.60 1.57 0.58 1.20 0.00 0.00 173.24 175.01 2ppa h VAL 334 N 6.00 1.27 -3.18 4.45 2.07 -2.01 -3.40 116.25 121.45 2ppa h VAL 334 Ca -0.28 -1.29 -0.41 0.00 0.82 0.00 0.00 66.70 65.54 2ppa h VAL 334 Cb 1.06 1.04 -0.40 0.00 -1.52 0.00 0.00 31.29 31.47 2ppa h VAL 334 CO 1.22 0.45 -0.74 -0.22 0.02 0.00 0.00 177.57 178.30 2ppa s LEU 335 N -9.18 0.21 0.59 2.57 2.96 -1.26 -5.14 118.68 109.43 2ppa s LEU 335 Ca -0.12 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 2ppa s LEU 335 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 2ppa s LEU 335 CO 0.86 -0.29 1.14 0.00 -1.32 0.00 0.00 176.35 176.73 2ppa s ALA 336 N 2.16 2.59 -0.41 5.97 0.00 -1.26 -4.87 121.76 125.94 2ppa s ALA 336 Ca 0.04 0.76 -0.45 0.00 0.00 0.00 0.00 51.96 52.31 2ppa s ALA 336 Cb -0.14 -3.36 -0.20 0.00 0.00 0.00 0.00 23.12 19.42 2ppa s ALA 336 CO -0.06 -1.01 1.54 -2.30 0.00 0.00 0.00 175.76 173.93 2ppa n PRO 337 N -1.72 0.11 -3.56 0.00 -0.02 -1.26 -4.91 135.00 123.63 2ppa n PRO 337 Ca 0.12 0.04 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 2ppa n PRO 337 Cb 0.51 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 2ppa n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2ppa s SER 338 N 2.61 -0.50 0.26 2.55 1.04 -1.26 -5.14 113.70 113.25 2ppa s SER 338 Ca 1.02 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.45 2ppa s SER 338 Cb -1.43 0.50 -0.14 0.00 0.10 0.00 0.00 66.02 65.06 2ppa s SER 338 CO 0.77 -0.70 1.20 0.61 0.98 0.00 0.00 173.24 176.10 2ppa n GLY 339 N 0.52 0.24 0.00 7.32 0.00 -1.26 -5.24 105.19 106.76 2ppa n GLY 339 Ca -0.19 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.29 2ppa n GLY 339 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02