#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tdm h LEU 2 N 0.00 -0.62 -0.16 4.03 3.38 -1.94 -2.35 115.31 117.65 2tdm h LEU 2 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2tdm h LEU 2 Cb 0.00 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2tdm h LEU 2 CO 0.00 -0.21 0.00 -1.84 0.09 0.00 0.00 178.44 176.48 2tdm n GLU 3 N -5.38 1.05 -0.03 1.13 -0.00 -1.26 -4.04 120.64 112.11 2tdm n GLU 3 Ca 0.03 -0.07 0.03 0.00 -0.00 0.00 0.00 57.16 57.15 2tdm n GLU 3 Cb 0.28 -1.06 0.38 0.00 -0.00 0.00 0.00 31.44 31.04 2tdm n GLU 3 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2tdm h GLN 4 N 0.11 0.61 -0.62 3.44 5.75 -1.86 -1.41 115.11 121.13 2tdm h GLN 4 Ca 0.00 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2tdm h GLN 4 Cb 0.07 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 2tdm h GLN 4 CO 0.00 0.43 0.41 -1.35 -2.65 0.00 0.00 178.83 175.67 2tdm h PRO 5 N 0.62 0.52 0.29 -2.39 0.11 -1.82 0.10 132.00 129.43 2tdm h PRO 5 Ca 0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2tdm h PRO 5 Cb -0.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2tdm h PRO 5 CO -0.03 0.34 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.05 2tdm h TYR 6 N 0.53 -0.36 -0.90 0.65 3.20 -1.57 -1.61 116.97 116.93 2tdm h TYR 6 Ca 0.28 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.30 2tdm h TYR 6 Cb 0.39 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 2tdm h TYR 6 CO -0.00 -0.03 0.58 -0.07 -1.64 0.00 0.00 178.16 177.00 2tdm h LEU 7 N -0.72 0.60 -0.01 2.82 3.38 -1.26 -1.65 115.31 118.47 2tdm h LEU 7 Ca -0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2tdm h LEU 7 Cb 0.49 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2tdm h LEU 7 CO 0.06 0.28 -0.00 0.44 0.09 0.00 0.00 178.44 179.31 2tdm h ASP 8 N 0.62 0.01 -0.49 -0.43 3.32 -0.68 -1.69 116.42 117.08 2tdm h ASP 8 Ca 0.46 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 57.29 2tdm h ASP 8 Cb 0.85 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.30 2tdm h ASP 8 CO -0.21 0.33 -0.12 0.25 -1.72 0.00 0.00 179.24 177.77 2tdm h LEU 9 N -0.31 -0.46 -0.49 1.55 6.46 -0.39 0.57 115.31 122.25 2tdm h LEU 9 Ca 0.00 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2tdm h LEU 9 Cb 0.33 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 2tdm h LEU 9 CO 0.00 -0.16 0.30 0.00 -0.62 0.00 0.00 178.44 177.96 2tdm h ALA 10 N 1.49 0.62 0.31 1.25 0.00 -1.31 -0.92 119.26 120.70 2tdm h ALA 10 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2tdm h ALA 10 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2tdm h ALA 10 CO -0.51 0.01 -0.29 0.87 0.00 0.00 0.00 179.25 179.34 2tdm h LYS 11 N 0.61 -0.60 -0.58 0.00 1.57 -0.32 -0.88 116.57 116.38 2tdm h LYS 11 Ca 0.19 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.11 2tdm h LYS 11 Cb -0.02 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.32 2tdm h LYS 11 CO -0.07 -0.40 -0.37 -0.22 -0.57 0.00 0.00 179.45 177.83 2tdm h LYS 12 N -0.62 -0.18 -0.32 3.15 1.63 -0.61 0.33 116.57 119.94 2tdm h LYS 12 Ca -0.02 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2tdm h LYS 12 Cb 0.56 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 2tdm h LYS 12 CO -0.05 -0.12 0.12 0.28 -3.45 0.00 0.00 179.45 176.23 2tdm h VAL 13 N -0.19 1.13 -0.40 2.00 2.07 -0.98 -2.44 116.25 117.44 2tdm h VAL 13 Ca 0.21 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2tdm h VAL 13 Cb 0.56 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2tdm h VAL 13 CO -0.68 0.16 0.18 -0.07 0.02 0.00 0.00 177.57 177.18 2tdm h LEU 14 N 0.45 0.54 -6.81 2.57 3.38 0.11 -2.50 115.31 113.05 2tdm h LEU 14 Ca 0.11 -0.15 -0.61 0.00 0.09 0.00 0.00 57.88 57.33 2tdm h LEU 14 Cb 0.10 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.31 2tdm h LEU 14 CO -0.01 0.54 -0.73 1.51 0.09 0.00 0.00 178.44 179.84 2tdm s ASP 15 N -5.81 3.53 0.00 -0.43 1.47 -0.53 -4.62 116.67 110.28 2tdm s ASP 15 Ca -0.13 -3.57 0.00 0.00 1.18 0.00 0.00 52.55 50.03 2tdm s ASP 15 Cb 0.10 -1.18 0.00 0.00 -0.34 0.00 0.00 42.92 41.50 2tdm s ASP 15 CO 0.75 -0.11 0.00 -0.62 0.68 0.00 0.00 175.17 175.86 2tdm n GLU 16 N 2.29 0.00 -1.71 2.11 1.02 -0.99 -4.79 120.64 118.56 2tdm n GLU 16 Ca 0.24 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 2tdm n GLU 16 Cb 0.40 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.89 2tdm n GLU 16 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2tdm s GLY 17 N 0.00 2.76 0.12 0.62 0.00 -0.94 -4.97 107.32 104.91 2tdm s GLY 17 Ca 0.00 1.14 0.09 0.00 0.00 0.00 0.00 44.72 45.95 2tdm s GLY 17 CO 0.00 1.56 -0.19 0.30 0.00 0.00 0.00 173.10 174.77 2tdm s HIS 18 N -1.52 2.50 0.42 1.90 3.76 -0.77 -4.73 115.29 116.86 2tdm s HIS 18 Ca 0.81 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 55.18 2tdm s HIS 18 Cb -0.35 -1.33 -0.09 0.00 1.11 0.00 0.00 32.58 31.92 2tdm s HIS 18 CO 0.40 0.39 1.36 0.12 -0.85 0.00 0.00 174.74 176.16 2tdm s PHE 19 N -1.17 2.67 -0.19 1.40 5.36 -1.26 -1.30 117.98 123.49 2tdm s PHE 19 Ca 0.18 1.34 -0.11 0.00 -0.96 0.00 0.00 56.93 57.37 2tdm s PHE 19 Cb -0.10 -3.79 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 2tdm s PHE 19 CO 0.10 -2.47 0.46 0.21 -1.46 0.00 0.00 175.22 172.07 2tdm s LYS 20 N -2.31 0.46 0.79 10.12 2.20 0.26 -4.89 119.74 126.38 2tdm s LYS 20 Ca 0.58 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.92 2tdm s LYS 20 Cb -0.41 0.04 0.06 0.00 -1.51 0.00 0.00 37.83 36.01 2tdm s LYS 20 CO 0.53 -0.15 1.13 -2.14 -0.36 0.00 0.00 175.35 174.36 2tdm s PRO 21 N 1.31 2.16 0.22 4.03 0.02 -1.26 -1.46 135.00 140.01 2tdm s PRO 21 Ca -0.09 0.33 -0.06 0.00 0.02 0.00 0.00 61.00 61.20 2tdm s PRO 21 Cb -0.07 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.52 2tdm s PRO 21 CO -0.12 -1.50 0.40 -0.40 -0.33 0.00 0.00 177.00 175.04 2tdm n ASP 22 N -3.30 -1.15 0.16 2.53 5.75 -1.26 -4.88 116.55 114.40 2tdm n ASP 22 Ca 0.07 -1.94 -0.08 0.00 -0.01 0.00 0.00 54.79 52.83 2tdm n ASP 22 Cb 0.59 1.95 -0.04 0.00 -1.03 0.00 0.00 41.12 42.59 2tdm n ASP 22 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2tdm h ARG 23 N 0.00 -0.46 -7.08 0.11 2.43 -1.98 -3.39 114.38 104.01 2tdm h ARG 23 Ca -0.18 0.03 -0.53 0.00 -0.81 0.00 0.00 59.98 58.50 2tdm h ARG 23 Cb 0.69 0.11 0.11 0.00 -0.42 0.00 0.00 29.97 30.45 2tdm h ARG 23 CO 0.23 -0.31 0.49 0.95 -1.51 0.00 0.00 179.97 179.82 2tdm s THR 24 N -4.25 2.65 -0.78 0.20 -4.23 -1.26 -4.87 115.64 103.10 2tdm s THR 24 Ca -0.08 0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 2tdm s THR 24 Cb 0.02 -3.18 0.37 0.00 1.34 0.00 0.00 72.50 71.05 2tdm s THR 24 CO 0.26 -0.07 1.09 1.41 -0.54 0.00 0.00 174.62 176.78 2tdm n HIS 25 N -1.37 0.92 -3.03 3.99 8.25 -1.24 -4.74 115.22 118.01 2tdm n HIS 25 Ca 0.12 -0.32 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 2tdm n HIS 25 Cb 0.49 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 2tdm n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2tdm s THR 26 N -1.79 4.96 1.12 1.59 2.01 -1.26 -4.93 115.64 117.33 2tdm s THR 26 Ca 0.25 1.35 -0.14 0.00 0.31 0.00 0.00 61.69 63.46 2tdm s THR 26 Cb 0.19 -4.02 0.25 0.00 0.01 0.00 0.00 72.50 68.93 2tdm s THR 26 CO 0.08 0.06 1.06 -0.83 -0.69 0.00 0.00 174.62 174.31 2tdm s GLY 27 N 1.21 1.54 0.13 4.40 0.00 -1.26 -4.62 107.32 108.72 2tdm s GLY 27 Ca 0.32 -0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.52 2tdm s GLY 27 CO 0.11 0.29 0.24 -0.51 0.00 0.00 0.00 173.10 173.23 2tdm s THR 28 N -2.77 0.10 -0.16 0.90 -4.23 -0.54 -0.85 115.64 108.09 2tdm s THR 28 Ca 0.67 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2tdm s THR 28 Cb -0.19 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 2tdm s THR 28 CO 0.60 -0.46 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.89 2tdm s TYR 29 N -3.91 3.07 0.04 3.99 1.51 0.58 -0.57 117.35 122.05 2tdm s TYR 29 Ca 0.11 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2tdm s TYR 29 Cb 0.04 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 2tdm s TYR 29 CO -0.05 0.01 -0.00 0.45 -1.11 0.00 0.00 175.55 174.84 2tdm s SER 30 N 0.36 0.33 0.14 2.29 0.15 -0.42 -0.63 113.70 115.91 2tdm s SER 30 Ca -0.03 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 55.95 2tdm s SER 30 Cb -0.14 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2tdm s SER 30 CO 0.02 -0.46 -0.06 0.27 1.20 0.00 0.00 173.24 174.21 2tdm s ILE 31 N -2.66 0.89 -0.11 6.45 -4.36 -1.01 -1.85 121.20 118.54 2tdm s ILE 31 Ca -0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2tdm s ILE 31 Cb -0.01 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.83 2tdm s ILE 31 CO -0.05 -0.70 -0.09 0.12 0.24 0.00 0.00 174.94 174.46 2tdm s PHE 32 N -3.51 1.60 0.00 1.37 5.36 -1.26 -2.45 117.98 119.09 2tdm s PHE 32 Ca 0.18 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 2tdm s PHE 32 Cb 0.04 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 2tdm s PHE 32 CO 0.00 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 2tdm n GLY 33 N 4.77 -1.60 3.57 13.12 0.00 0.22 -5.01 105.19 120.26 2tdm n GLY 33 Ca -0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 2tdm n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2tdm s HIS 34 N 0.00 -0.54 -0.02 1.61 5.04 -1.04 -4.96 115.29 115.37 2tdm s HIS 34 Ca 0.00 1.03 -0.10 0.00 -1.54 0.00 0.00 55.06 54.45 2tdm s HIS 34 Cb 0.00 0.40 0.01 0.00 0.04 0.00 0.00 32.58 33.04 2tdm s HIS 34 CO 0.00 -0.43 0.21 -1.14 -2.34 0.00 0.00 174.74 171.04 2tdm s GLN 35 N -0.80 0.48 -0.01 2.88 0.74 -1.26 0.10 119.66 121.80 2tdm s GLN 35 Ca -0.04 -0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.07 2tdm s GLN 35 Cb -0.01 0.21 0.02 0.00 1.10 0.00 0.00 33.01 34.33 2tdm s GLN 35 CO 0.04 -0.11 0.29 0.00 -0.55 0.00 0.00 175.29 174.95 2tdm s MET 36 N -0.99 0.65 0.14 1.67 0.23 -0.37 -4.97 119.30 115.66 2tdm s MET 36 Ca -0.11 -0.21 0.10 0.00 -1.03 0.00 0.00 55.69 54.44 2tdm s MET 36 Cb -0.05 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 2tdm s MET 36 CO 0.02 -0.18 -0.24 -0.98 -2.03 0.00 0.00 175.02 171.62 2tdm s ARG 37 N -1.32 1.35 -0.12 3.16 1.70 -1.26 -0.02 118.95 122.44 2tdm s ARG 37 Ca -0.14 -1.36 -0.00 0.00 -0.47 0.00 0.00 55.73 53.76 2tdm s ARG 37 Cb -0.05 -1.70 0.03 0.00 -0.57 0.00 0.00 34.95 32.65 2tdm s ARG 37 CO 0.04 0.39 -0.07 -0.06 -1.08 0.00 0.00 175.30 174.51 2tdm s PHE 38 N -1.36 1.51 -0.58 5.89 0.08 0.48 -4.94 117.98 119.06 2tdm s PHE 38 Ca 0.14 -0.77 -0.28 0.00 0.12 0.00 0.00 56.93 56.14 2tdm s PHE 38 Cb -0.09 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 2tdm s PHE 38 CO 0.07 -0.52 1.32 0.34 -0.10 0.00 0.00 175.22 176.32 2tdm s ASP 39 N 1.70 6.27 0.00 1.36 -1.08 -1.26 -0.82 116.67 122.83 2tdm s ASP 39 Ca 0.05 0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.39 2tdm s ASP 39 Cb -0.13 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.57 2tdm s ASP 39 CO -0.08 -1.62 1.21 0.18 0.52 0.00 0.00 175.17 175.38 2tdm n LEU 40 N 9.08 0.00 -0.31 -1.34 4.77 0.54 -1.64 117.00 128.10 2tdm n LEU 40 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2tdm n LEU 40 Cb 0.49 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.74 2tdm n LEU 40 CO 0.71 0.00 0.42 -1.54 -1.33 0.00 0.00 177.39 175.66 2tdm n SER 41 N -1.00 1.41 0.07 -1.43 3.41 -1.26 -3.93 113.62 110.89 2tdm n SER 41 Ca 0.10 -1.12 0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2tdm n SER 41 Cb 0.05 0.37 0.10 0.00 -0.26 0.00 0.00 64.21 64.47 2tdm n SER 41 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2tdm h LYS 42 N 1.52 0.00 0.00 4.33 1.63 -1.68 -3.50 116.57 118.87 2tdm h LYS 42 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tdm h LYS 42 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2tdm h LYS 42 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 2tdm n GLY 43 N 1.30 1.71 3.69 5.01 0.00 -1.25 -4.89 105.19 110.76 2tdm n GLY 43 Ca 0.02 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2tdm n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2tdm s PHE 44 N -1.52 3.44 0.00 1.61 5.36 0.06 -4.62 117.98 122.30 2tdm s PHE 44 Ca 0.00 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2tdm s PHE 44 Cb 0.00 -2.56 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2tdm s PHE 44 CO 0.00 0.06 0.36 -0.35 -1.46 0.00 0.00 175.22 173.83 2tdm n PRO 45 N 4.15 0.25 -2.98 10.12 -0.04 -1.26 -4.02 135.00 141.21 2tdm n PRO 45 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2tdm n PRO 45 Cb 0.51 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2tdm n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2tdm s LEU 46 N 0.00 4.08 0.22 1.53 2.96 -1.26 -4.59 118.68 121.61 2tdm s LEU 46 Ca 0.00 0.91 -0.32 0.00 -0.22 0.00 0.00 54.13 54.50 2tdm s LEU 46 Cb 0.00 -3.06 -0.14 0.00 0.50 0.00 0.00 46.19 43.49 2tdm s LEU 46 CO 0.00 -0.46 1.33 0.18 -1.32 0.00 0.00 176.35 176.08 2tdm n LEU 47 N 5.87 2.59 -0.04 -0.68 4.77 -1.26 -4.70 117.00 123.54 2tdm n LEU 47 Ca 0.03 1.14 -0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2tdm n LEU 47 Cb 0.48 -1.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.06 2tdm n LEU 47 CO 0.46 -0.75 -0.87 0.35 -1.33 0.00 0.00 177.39 175.24 2tdm n THR 48 N 1.80 0.82 1.21 -5.08 -2.24 -1.26 -4.30 114.28 105.24 2tdm n THR 48 Ca 0.13 -0.70 0.03 0.00 -2.27 0.00 0.00 64.05 61.24 2tdm n THR 48 Cb 0.29 -0.32 0.19 0.00 -2.10 0.00 0.00 70.33 68.38 2tdm n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2tdm n THR 49 N -2.58 0.00 -3.65 4.28 -2.24 -1.26 0.02 114.28 108.85 2tdm n THR 49 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2tdm n THR 49 Cb 0.88 -0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 2tdm n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2tdm s LYS 50 N -2.00 0.18 -0.45 -0.78 2.20 -1.26 -4.72 119.74 112.92 2tdm s LYS 50 Ca 0.09 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.65 2tdm s LYS 50 Cb 0.04 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2tdm s LYS 50 CO 0.07 -0.02 1.28 0.21 -0.36 0.00 0.00 175.35 176.53 2tdm s LYS 51 N 0.22 3.64 -0.19 4.03 2.20 -0.91 -4.70 119.74 124.03 2tdm s LYS 51 Ca 0.04 0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 56.35 2tdm s LYS 51 Cb -0.05 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2tdm s LYS 51 CO -0.13 -1.48 0.01 0.08 -0.36 0.00 0.00 175.35 173.47 2tdm s VAL 52 N 4.97 4.17 -0.81 4.02 1.01 -1.26 -4.62 120.40 127.88 2tdm s VAL 52 Ca 0.55 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 2tdm s VAL 52 Cb -0.10 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 2tdm s VAL 52 CO 0.32 0.44 2.19 -2.16 0.00 0.00 0.00 175.10 175.90 2tdm s PRO 53 N 0.76 2.07 0.35 2.72 0.04 -1.26 -4.82 135.00 134.86 2tdm s PRO 53 Ca 0.01 0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.32 2tdm s PRO 53 Cb -0.14 -4.86 0.67 0.00 0.04 0.00 0.00 34.50 30.21 2tdm s PRO 53 CO 0.02 -3.86 1.97 0.35 0.04 0.00 0.00 177.00 175.52 2tdm h PHE 54 N 12.68 0.82 -0.95 0.56 3.57 -2.00 -2.23 116.94 129.38 2tdm h PHE 54 Ca 0.01 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.66 2tdm h PHE 54 Cb 1.03 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 2tdm h PHE 54 CO 1.17 0.46 0.61 0.78 -2.23 0.00 0.00 178.31 179.10 2tdm h GLY 55 N 0.84 1.47 0.96 2.40 0.00 -2.00 -0.50 103.07 106.23 2tdm h GLY 55 Ca 0.30 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 2tdm h GLY 55 CO -0.09 0.13 -0.12 1.41 0.00 0.00 0.00 176.54 177.86 2tdm h LEU 56 N 0.86 0.73 -0.61 3.11 3.38 -1.80 -2.39 115.31 118.60 2tdm h LEU 56 Ca 0.48 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2tdm h LEU 56 Cb 0.59 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2tdm h LEU 56 CO -0.24 0.94 0.28 0.16 0.09 0.00 0.00 178.44 179.67 2tdm h ILE 57 N 0.50 1.22 -0.02 1.22 -0.00 -1.11 -2.32 117.51 117.00 2tdm h ILE 57 Ca 0.09 -0.64 -0.20 0.00 -0.00 0.00 0.00 64.86 64.11 2tdm h ILE 57 Cb 0.65 0.52 -0.01 0.00 -0.00 0.00 0.00 36.82 37.98 2tdm h ILE 57 CO 0.04 0.26 -0.84 0.07 -0.00 0.00 0.00 178.15 177.68 2tdm h LYS 58 N 0.84 0.31 0.00 0.16 2.10 -1.23 -1.40 116.57 117.35 2tdm h LYS 58 Ca 0.21 -0.31 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2tdm h LYS 58 Cb 0.15 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2tdm h LYS 58 CO -0.02 0.99 -0.25 0.66 -2.00 0.00 0.00 179.45 178.82 2tdm h SER 59 N 0.19 0.00 0.58 7.07 4.64 -1.33 -0.11 113.55 124.59 2tdm h SER 59 Ca -0.05 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.99 2tdm h SER 59 Cb 1.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.54 2tdm h SER 59 CO 0.14 0.25 -1.27 -0.08 -0.87 0.00 0.00 176.83 175.00 2tdm h GLU 60 N 0.00 0.31 -0.23 4.77 4.81 -1.32 -2.64 114.58 120.28 2tdm h GLU 60 Ca -0.00 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2tdm h GLU 60 Cb 0.54 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2tdm h GLU 60 CO 0.03 1.25 -0.06 1.25 -0.73 0.00 0.00 179.01 180.75 2tdm h LEU 61 N 0.09 0.45 -1.74 1.64 5.85 -0.56 -1.11 115.31 119.92 2tdm h LEU 61 Ca -0.15 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 2tdm h LEU 61 Cb 1.99 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2tdm h LEU 61 CO 0.21 0.72 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.79 2tdm h LEU 62 N 0.18 0.00 -0.32 2.25 3.38 -1.13 0.21 115.31 119.87 2tdm h LEU 62 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2tdm h LEU 62 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2tdm h LEU 62 CO 0.02 0.17 -0.20 -0.25 0.09 0.00 0.00 178.44 178.27 2tdm h TRP 63 N 0.00 0.82 0.60 1.13 7.01 -1.12 -1.87 115.95 122.52 2tdm h TRP 63 Ca -0.00 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 60.75 2tdm h TRP 63 Cb 0.38 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2tdm h TRP 63 CO 0.00 0.94 -0.29 0.74 -2.79 0.00 0.00 178.44 177.04 2tdm h PHE 64 N 0.47 -0.75 -0.71 2.65 0.04 0.12 -2.39 116.94 116.38 2tdm h PHE 64 Ca 0.07 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 61.00 2tdm h PHE 64 Cb 0.75 0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 2tdm h PHE 64 CO 0.06 -0.43 0.50 -0.07 -0.60 0.00 0.00 178.31 177.78 2tdm h LEU 65 N -0.92 0.12 -0.21 1.54 4.07 -0.64 0.20 115.31 119.46 2tdm h LEU 65 Ca -0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2tdm h LEU 65 Cb 0.66 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2tdm h LEU 65 CO 0.14 0.06 0.00 0.45 -1.08 0.00 0.00 178.44 178.00 2tdm h HIS 66 N 0.13 0.00 -0.29 1.13 3.86 -1.24 -3.46 115.15 115.28 2tdm h HIS 66 Ca 0.34 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.50 2tdm h HIS 66 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2tdm h HIS 66 CO -0.00 0.00 -0.06 0.41 0.86 0.00 0.00 177.93 179.14 2tdm n GLY 67 N 0.95 0.36 3.82 2.45 0.00 0.70 -5.02 105.19 108.45 2tdm n GLY 67 Ca 0.04 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 2tdm n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2tdm s ASP 68 N -2.91 6.99 -0.06 1.61 -1.08 -0.91 -4.42 116.67 115.88 2tdm s ASP 68 Ca 0.00 1.18 0.09 0.00 -0.52 0.00 0.00 52.55 53.30 2tdm s ASP 68 Cb 0.00 -2.33 0.14 0.00 -1.46 0.00 0.00 42.92 39.27 2tdm s ASP 68 CO 0.00 0.26 1.06 0.35 0.52 0.00 0.00 175.17 177.36 2tdm n THR 69 N 1.61 0.93 -3.95 1.71 -2.24 -1.26 -4.40 114.28 106.67 2tdm n THR 69 Ca -0.10 -1.11 -0.35 0.00 -2.27 0.00 0.00 64.05 60.21 2tdm n THR 69 Cb 0.51 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 2tdm n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2tdm s ASN 70 N -1.88 4.71 0.58 3.42 3.84 -1.26 -1.07 114.94 123.28 2tdm s ASN 70 Ca 0.15 -0.27 0.30 0.00 0.21 0.00 0.00 52.86 53.25 2tdm s ASN 70 Cb 0.13 -1.82 1.40 0.00 -0.55 0.00 0.00 41.25 40.42 2tdm s ASN 70 CO 0.01 0.01 1.78 0.40 -2.79 0.00 0.00 177.10 176.52 2tdm h ILE 71 N 5.53 0.31 -0.55 -5.21 1.08 -1.24 -2.84 117.51 114.59 2tdm h ILE 71 Ca -0.38 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2tdm h ILE 71 Cb 1.17 0.48 -0.08 0.00 -3.07 0.00 0.00 36.82 35.32 2tdm h ILE 71 CO 0.60 0.00 0.07 -0.09 -0.69 0.00 0.00 178.15 178.04 2tdm h ARG 72 N 0.00 0.19 -0.97 2.37 2.43 -1.91 -1.22 114.38 115.27 2tdm h ARG 72 Ca 0.32 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.59 2tdm h ARG 72 Cb 1.66 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 31.09 2tdm h ARG 72 CO -0.00 0.12 0.60 0.35 -1.51 0.00 0.00 179.97 179.53 2tdm h PHE 73 N 0.19 1.09 0.39 2.20 3.57 -1.92 -1.92 116.94 120.55 2tdm h PHE 73 Ca 0.28 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2tdm h PHE 73 Cb 0.42 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2tdm h PHE 73 CO -0.27 0.45 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.00 2tdm h LEU 74 N 0.98 -0.45 -1.02 0.59 3.38 -1.44 -3.07 115.31 114.28 2tdm h LEU 74 Ca 0.47 -0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.54 2tdm h LEU 74 Cb 0.42 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 2tdm h LEU 74 CO -0.25 -0.12 0.61 -0.07 0.09 0.00 0.00 178.44 178.70 2tdm h LEU 75 N -0.81 0.73 -1.74 1.67 3.38 -1.01 0.23 115.31 117.77 2tdm h LEU 75 Ca -0.05 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2tdm h LEU 75 Cb 0.53 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2tdm h LEU 75 CO 0.09 0.20 0.06 1.56 0.09 0.00 0.00 178.44 180.44 2tdm h GLN 76 N 0.68 0.22 -0.82 1.13 4.20 -1.27 0.34 115.11 119.60 2tdm h GLN 76 Ca 0.61 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.98 2tdm h GLN 76 Cb 1.05 -0.05 -0.19 0.00 0.30 0.00 0.00 27.48 28.59 2tdm h GLN 76 CO -0.41 0.19 0.39 0.72 -0.67 0.00 0.00 178.83 179.05 2tdm n HIS 77 N -4.46 2.63 -4.16 2.96 8.25 0.69 -4.92 115.22 116.21 2tdm n HIS 77 Ca -0.01 -1.43 -0.29 0.00 -0.26 0.00 0.00 57.72 55.74 2tdm n HIS 77 Cb 0.12 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 30.39 2tdm n HIS 77 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2tdm n ARG 78 N -0.51 -2.02 -4.04 -0.41 1.85 0.11 -4.95 116.66 106.70 2tdm n ARG 78 Ca 0.47 0.24 -0.33 0.00 -1.00 0.00 0.00 57.85 57.22 2tdm n ARG 78 Cb 1.48 -4.06 -0.15 0.00 -1.05 0.00 0.00 32.46 28.68 2tdm n ARG 78 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2tdm s ASN 79 N -4.33 3.91 -0.18 2.89 3.84 -0.45 -4.99 114.94 115.64 2tdm s ASN 79 Ca 0.04 -0.86 0.16 0.00 0.21 0.00 0.00 52.86 52.41 2tdm s ASN 79 Cb -0.02 -1.58 0.56 0.00 -0.55 0.00 0.00 41.25 39.66 2tdm s ASN 79 CO 0.95 -0.09 1.46 1.41 -2.79 0.00 0.00 177.10 178.04 2tdm n HIS 80 N 4.61 1.07 0.01 0.43 8.25 -1.26 -3.42 115.22 124.90 2tdm n HIS 80 Ca -0.18 -0.86 0.14 0.00 -0.26 0.00 0.00 57.72 56.57 2tdm n HIS 80 Cb 0.47 -0.34 0.60 0.00 1.12 0.00 0.00 29.99 31.84 2tdm n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2tdm h ILE 81 N 2.06 0.85 -0.01 1.59 1.08 -1.97 -3.01 117.51 118.10 2tdm h ILE 81 Ca 0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2tdm h ILE 81 Cb 1.50 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 2tdm h ILE 81 CO 0.25 0.03 -0.37 0.79 -0.69 0.00 0.00 178.15 178.16 2tdm n TRP 82 N -4.45 0.00 -0.30 1.37 7.02 -1.26 -4.68 117.44 115.14 2tdm n TRP 82 Ca 0.08 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.69 2tdm n TRP 82 Cb 0.41 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.61 2tdm n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2tdm h ASP 83 N 1.04 0.19 -0.63 -0.99 5.19 -1.86 0.11 116.42 119.47 2tdm h ASP 83 Ca 0.00 0.18 0.18 0.00 -0.62 0.00 0.00 57.03 56.77 2tdm h ASP 83 Cb 0.41 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 2tdm h ASP 83 CO 0.00 -0.08 0.59 1.05 -3.12 0.00 0.00 179.24 177.68 2tdm h GLU 84 N 0.30 0.00 0.17 3.56 9.09 -1.83 -0.09 114.58 125.78 2tdm h GLU 84 Ca 0.56 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.68 2tdm h GLU 84 Cb 1.12 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.23 2tdm h GLU 84 CO -0.59 0.00 -1.44 -1.49 0.05 0.00 0.00 179.01 175.54 2tdm h TRP 85 N 0.00 0.67 0.30 2.06 4.06 -1.12 -2.94 115.95 118.98 2tdm h TRP 85 Ca 0.30 -0.49 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 2tdm h TRP 85 Cb 1.47 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 2tdm h TRP 85 CO 0.00 1.56 -0.14 0.00 -3.56 0.00 0.00 178.44 176.29 2tdm h ALA 86 N 0.07 -0.40 -0.53 1.49 0.00 -1.35 -3.04 119.26 115.50 2tdm h ALA 86 Ca -0.28 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.55 2tdm h ALA 86 Cb 1.94 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 2tdm h ALA 86 CO 0.16 -0.58 -0.33 0.35 0.00 0.00 0.00 179.25 178.86 2tdm h PHE 87 N -0.70 -0.90 -0.83 0.00 3.57 -1.20 -1.69 116.94 115.19 2tdm h PHE 87 Ca -0.04 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.63 2tdm h PHE 87 Cb 0.48 0.47 -0.12 0.00 2.79 0.00 0.00 35.95 39.57 2tdm h PHE 87 CO 0.02 -0.38 -0.48 1.49 -2.23 0.00 0.00 178.31 176.72 2tdm h GLU 88 N -0.18 -0.10 -0.65 1.11 4.81 -1.49 0.99 114.58 119.07 2tdm h GLU 88 Ca 0.22 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 2tdm h GLU 88 Cb 0.54 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2tdm h GLU 88 CO -0.64 -0.06 0.36 0.87 -0.73 0.00 0.00 179.01 178.81 2tdm h LYS 89 N -0.10 0.64 0.19 1.92 1.57 -1.21 -2.98 116.57 116.60 2tdm h LYS 89 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2tdm h LYS 89 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2tdm h LYS 89 CO -0.85 0.43 -0.09 2.35 -0.57 0.00 0.00 179.45 180.71 2tdm h TRP 90 N 0.66 -0.24 0.00 -1.35 2.91 -0.34 -2.87 115.95 114.73 2tdm h TRP 90 Ca 0.29 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.31 2tdm h TRP 90 Cb 0.19 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2tdm h TRP 90 CO -0.08 -0.13 0.00 -0.24 -1.03 0.00 0.00 178.44 176.96 2tdm h VAL 91 N -0.28 0.00 -0.73 2.65 3.04 -0.89 -1.98 116.25 118.06 2tdm h VAL 91 Ca -0.03 -0.01 -0.43 0.00 -1.01 0.00 0.00 66.70 65.23 2tdm h VAL 91 Cb 0.22 0.95 -0.24 0.00 -2.01 0.00 0.00 31.29 30.20 2tdm h VAL 91 CO 0.04 0.00 0.27 1.17 -1.01 0.00 0.00 177.57 178.04 2tdm n LYS 92 N -2.99 2.33 -4.57 4.17 4.81 -1.08 -4.90 118.16 115.93 2tdm n LYS 92 Ca -0.03 -3.26 -0.28 0.00 -0.87 0.00 0.00 58.31 53.87 2tdm n LYS 92 Cb 0.07 -2.08 -0.08 0.00 0.02 0.00 0.00 35.03 32.96 2tdm n LYS 92 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2tdm s SER 93 N -2.12 3.13 0.00 3.14 1.04 -0.75 -5.04 113.70 113.11 2tdm s SER 93 Ca 0.53 -1.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.01 2tdm s SER 93 Cb 0.45 0.57 -0.18 0.00 0.10 0.00 0.00 66.02 66.96 2tdm s SER 93 CO 0.04 -0.95 1.33 0.44 0.98 0.00 0.00 173.24 175.07 2tdm h ASP 94 N 1.66 -0.08 -1.08 7.02 3.32 -1.93 -3.24 116.42 122.07 2tdm h ASP 94 Ca -0.36 -0.33 0.30 0.00 0.02 0.00 0.00 57.03 56.65 2tdm h ASP 94 Cb 1.28 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.78 2tdm h ASP 94 CO 0.59 0.30 0.73 -0.08 -1.72 0.00 0.00 179.24 179.06 2tdm h GLU 95 N -0.48 0.22 -6.23 3.56 4.22 -1.98 -3.39 114.58 110.49 2tdm h GLU 95 Ca -0.01 -0.01 -0.56 0.00 0.08 0.00 0.00 59.36 58.86 2tdm h GLU 95 Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2tdm h GLU 95 CO 0.02 0.14 0.94 -0.47 -2.18 0.00 0.00 179.01 177.46 2tdm s TYR 96 N -5.26 2.59 -0.25 0.92 5.04 -1.23 -4.97 117.35 114.20 2tdm s TYR 96 Ca -0.07 0.73 -0.02 0.00 -2.44 0.00 0.00 57.07 55.27 2tdm s TYR 96 Cb 0.24 -3.65 0.08 0.00 0.35 0.00 0.00 41.96 38.98 2tdm s TYR 96 CO 0.80 -2.47 0.06 -1.01 -1.34 0.00 0.00 175.55 171.59 2tdm s HIS 97 N 3.43 1.35 -1.62 4.97 3.76 -1.26 -4.90 115.29 121.01 2tdm s HIS 97 Ca 0.62 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2tdm s HIS 97 Cb -0.27 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.10 2tdm s HIS 97 CO 0.21 -0.74 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 2tdm n GLY 98 N 4.96 -1.65 3.27 -2.22 0.00 -1.26 -5.06 105.19 103.24 2tdm n GLY 98 Ca -0.06 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 2tdm n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2tdm n PRO 99 N -0.29 0.00 0.00 1.61 -0.02 -1.26 -4.79 135.00 130.26 2tdm n PRO 99 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2tdm n PRO 99 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2tdm n PRO 99 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2tdm n ASP 100 N 6.93 0.00 -3.86 2.55 5.75 -1.26 -4.76 116.55 121.91 2tdm n ASP 100 Ca 0.25 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.75 2tdm n ASP 100 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2tdm n ASP 100 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2tdm n MET 101 N 0.00 -2.56 -3.14 0.11 0.00 -1.26 -4.94 117.12 105.33 2tdm n MET 101 Ca 0.00 0.42 -0.39 0.00 0.00 0.00 0.00 57.70 57.72 2tdm n MET 101 Cb 0.00 -4.33 -0.05 0.00 0.00 0.00 0.00 33.22 28.84 2tdm n MET 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2tdm s THR 102 N -3.77 5.09 -1.70 2.03 2.01 -1.26 -3.62 115.64 114.41 2tdm s THR 102 Ca 0.18 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 2tdm s THR 102 Cb -0.07 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2tdm s THR 102 CO 0.88 0.28 0.25 -0.67 -0.69 0.00 0.00 174.62 174.67 2tdm n ASP 103 N 3.69 -6.03 -0.23 3.53 2.03 -1.26 -4.90 116.55 113.38 2tdm n ASP 103 Ca -0.03 -0.13 0.04 0.00 0.52 0.00 0.00 54.79 55.19 2tdm n ASP 103 Cb 0.51 -4.96 0.15 0.00 -0.72 0.00 0.00 41.12 36.11 2tdm n ASP 103 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2tdm h PHE 104 N -0.56 0.12 -1.00 -0.67 -5.15 -1.96 -1.82 116.94 105.90 2tdm h PHE 104 Ca -0.51 0.05 0.32 0.00 -0.20 0.00 0.00 57.97 57.62 2tdm h PHE 104 Cb 1.37 0.05 -0.15 0.00 0.22 0.00 0.00 35.95 37.44 2tdm h PHE 104 CO 0.55 -0.13 0.56 0.78 -2.00 0.00 0.00 178.31 178.06 2tdm h GLY 105 N 0.19 2.05 0.36 6.09 0.00 -1.91 0.49 103.07 110.34 2tdm h GLY 105 Ca 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2tdm h GLY 105 CO -0.53 -0.49 -0.17 0.45 0.00 0.00 0.00 176.54 175.80 2tdm h HIS 106 N 0.32 -0.45 -1.04 5.60 3.86 -1.70 -3.27 115.15 118.48 2tdm h HIS 106 Ca 0.73 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 60.19 2tdm h HIS 106 Cb 1.65 0.15 -0.11 0.00 1.06 0.00 0.00 27.41 30.16 2tdm h HIS 106 CO -0.02 -0.28 0.65 0.00 0.86 0.00 0.00 177.93 179.14 2tdm h ARG 107 N -0.98 0.44 -0.07 2.45 3.08 -1.17 0.22 114.38 118.36 2tdm h ARG 107 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2tdm h ARG 107 Cb 0.37 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2tdm h ARG 107 CO 0.08 0.29 0.04 0.77 -1.07 0.00 0.00 179.97 180.08 2tdm h SER 108 N 0.45 0.06 0.48 7.04 0.02 -1.06 0.64 113.55 121.18 2tdm h SER 108 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 2tdm h SER 108 Cb 1.44 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2tdm h SER 108 CO -0.37 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.36 2tdm n GLN 109 N -5.06 0.05 -0.00 3.45 6.02 0.65 -3.51 117.38 118.98 2tdm n GLN 109 Ca -0.06 0.22 0.02 0.00 -0.01 0.00 0.00 57.00 57.17 2tdm n GLN 109 Cb 0.03 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.75 2tdm n GLN 109 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2tdm n LYS 110 N -1.46 0.47 -4.66 -1.09 4.76 -0.39 -5.04 118.16 110.75 2tdm n LYS 110 Ca 0.04 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 2tdm n LYS 110 Cb 0.17 -1.13 -0.15 0.00 -1.84 0.00 0.00 35.03 32.08 2tdm n LYS 110 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2tdm s ASP 111 N -2.72 1.72 0.01 4.39 -1.08 0.21 -5.04 116.67 114.16 2tdm s ASP 111 Ca -0.02 -0.27 -0.13 0.00 -0.52 0.00 0.00 52.55 51.61 2tdm s ASP 111 Cb 0.03 -0.28 -0.07 0.00 -1.46 0.00 0.00 42.92 41.13 2tdm s ASP 111 CO 0.22 0.16 1.03 1.55 0.52 0.00 0.00 175.17 178.65 2tdm h PRO 112 N 5.96 -0.47 0.00 4.34 0.13 -1.85 -3.10 132.00 137.00 2tdm h PRO 112 Ca -0.34 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2tdm h PRO 112 Cb 1.16 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2tdm h PRO 112 CO 0.49 -0.31 -0.06 0.93 -0.23 0.00 0.00 178.00 178.82 2tdm h GLU 113 N -0.56 0.00 -0.16 0.86 5.08 -1.97 -3.02 114.58 114.81 2tdm h GLU 113 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2tdm h GLU 113 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2tdm h GLU 113 CO 0.08 0.06 -0.01 0.35 -1.00 0.00 0.00 179.01 178.49 2tdm h PHE 114 N 0.00 0.31 -1.02 4.33 3.57 -1.91 -2.19 116.94 120.03 2tdm h PHE 114 Ca -0.00 -0.06 0.25 0.00 3.53 0.00 0.00 57.97 61.70 2tdm h PHE 114 Cb 0.78 -0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.33 2tdm h PHE 114 CO 0.00 0.51 0.63 0.00 -2.23 0.00 0.00 178.31 177.23 2tdm h ALA 115 N 0.76 2.00 -0.08 2.41 0.00 -1.45 0.27 119.26 123.17 2tdm h ALA 115 Ca 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2tdm h ALA 115 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2tdm h ALA 115 CO 0.01 -0.44 -0.67 0.00 0.00 0.00 0.00 179.25 178.15 2tdm h ALA 116 N 1.67 0.69 0.03 0.00 0.00 -1.42 -2.03 119.26 118.21 2tdm h ALA 116 Ca 0.62 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2tdm h ALA 116 Cb 1.35 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2tdm h ALA 116 CO -0.38 0.75 -0.99 -0.24 0.00 0.00 0.00 179.25 178.38 2tdm h VAL 117 N 0.25 1.44 -0.16 0.00 3.04 -0.20 -3.12 116.25 117.50 2tdm h VAL 117 Ca -0.02 -2.62 -0.01 0.00 -1.01 0.00 0.00 66.70 63.04 2tdm h VAL 117 Cb 1.22 2.55 -0.01 0.00 -2.01 0.00 0.00 31.29 33.04 2tdm h VAL 117 CO 0.11 0.77 0.05 0.22 -1.01 0.00 0.00 177.57 177.72 2tdm h TYR 118 N 0.17 0.25 0.00 3.17 3.20 -0.56 -1.27 116.97 121.93 2tdm h TYR 118 Ca -0.08 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 2tdm h TYR 118 Cb 1.65 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 2tdm h TYR 118 CO 0.05 0.35 -0.29 1.25 -1.64 0.00 0.00 178.16 177.89 2tdm h HIS 119 N 0.07 0.00 -0.04 -3.82 2.76 -1.46 0.11 115.15 112.78 2tdm h HIS 119 Ca 0.05 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.00 2tdm h HIS 119 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2tdm h HIS 119 CO -0.00 0.29 -0.88 1.49 -1.30 0.00 0.00 177.93 177.53 2tdm h GLU 120 N 0.00 0.50 -0.35 5.26 4.57 -1.46 0.21 114.58 123.32 2tdm h GLU 120 Ca -0.00 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2tdm h GLU 120 Cb 0.72 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2tdm h GLU 120 CO 0.04 1.13 0.19 0.93 -1.18 0.00 0.00 179.01 180.11 2tdm h GLU 121 N 0.31 0.49 -0.43 1.92 4.39 -0.61 -1.93 114.58 118.72 2tdm h GLU 121 Ca -0.07 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 2tdm h GLU 121 Cb 1.51 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 2tdm h GLU 121 CO 0.16 0.42 -0.12 1.98 -1.16 0.00 0.00 179.01 180.29 2tdm h MET 122 N 0.44 0.78 -0.50 2.33 4.05 -0.73 -2.40 114.93 118.90 2tdm h MET 122 Ca 0.12 -0.26 0.08 0.00 -0.28 0.00 0.00 59.70 59.36 2tdm h MET 122 Cb 0.07 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 2tdm h MET 122 CO -0.02 0.87 0.13 0.00 0.23 0.00 0.00 176.91 178.12 2tdm h ALA 123 N 1.16 0.58 -0.34 0.39 0.00 0.00 0.30 119.26 121.35 2tdm h ALA 123 Ca 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2tdm h ALA 123 Cb 0.60 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2tdm h ALA 123 CO 0.04 -0.28 0.08 0.87 0.00 0.00 0.00 179.25 179.96 2tdm h LYS 124 N 0.27 0.54 -0.05 0.00 1.57 -1.18 -2.44 116.57 115.29 2tdm h LYS 124 Ca 0.25 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2tdm h LYS 124 Cb 0.31 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2tdm h LYS 124 CO -0.30 0.60 -0.24 0.35 -0.57 0.00 0.00 179.45 179.28 2tdm h PHE 125 N 0.39 -0.65 -0.96 -1.35 3.57 -0.73 0.42 116.94 117.62 2tdm h PHE 125 Ca 0.11 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.69 2tdm h PHE 125 Cb 0.30 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 2tdm h PHE 125 CO 0.02 -0.33 0.62 -0.44 -2.23 0.00 0.00 178.31 175.94 2tdm h ASP 126 N -0.35 1.00 0.25 0.41 5.19 -0.97 0.64 116.42 122.59 2tdm h ASP 126 Ca 0.08 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 2tdm h ASP 126 Cb 0.46 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2tdm h ASP 126 CO -0.25 0.65 -0.48 -0.78 -3.12 0.00 0.00 179.24 175.26 2tdm h ASP 127 N 1.14 0.29 0.75 6.45 3.58 -0.84 -0.67 116.42 127.13 2tdm h ASP 127 Ca 0.41 -0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.54 2tdm h ASP 127 Cb 0.13 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2tdm h ASP 127 CO -0.16 0.72 -0.84 -0.09 -2.88 0.00 0.00 179.24 176.00 2tdm h ARG 128 N 0.21 0.06 0.04 0.28 2.43 0.86 -1.13 114.38 117.14 2tdm h ARG 128 Ca 0.01 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 2tdm h ARG 128 Cb 0.93 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2tdm h ARG 128 CO 0.08 0.86 -1.02 0.28 -1.51 0.00 0.00 179.97 178.65 2tdm h VAL 129 N 0.03 1.44 0.00 0.20 2.07 -0.82 -0.50 116.25 118.67 2tdm h VAL 129 Ca -0.02 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 2tdm h VAL 129 Cb 1.46 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2tdm h VAL 129 CO 0.11 0.78 -0.10 -0.07 0.02 0.00 0.00 177.57 178.31 2tdm h LEU 130 N 0.17 0.00 0.00 2.57 3.38 -0.94 -3.39 115.31 117.11 2tdm h LEU 130 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2tdm h LEU 130 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2tdm h LEU 130 CO 0.17 0.10 -0.91 1.41 0.09 0.00 0.00 178.44 179.31 2tdm n HIS 131 N -3.34 0.00 -2.69 1.13 8.25 -0.44 -4.93 115.22 113.20 2tdm n HIS 131 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2tdm n HIS 131 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 2tdm n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2tdm s ASP 132 N -3.71 6.47 0.57 0.41 -1.08 -0.20 -4.86 116.67 114.27 2tdm s ASP 132 Ca 0.00 -1.47 0.37 0.00 -0.52 0.00 0.00 52.55 50.93 2tdm s ASP 132 Cb 0.00 -2.51 1.42 0.00 -1.46 0.00 0.00 42.92 40.37 2tdm s ASP 132 CO 0.00 -1.41 1.61 0.44 0.52 0.00 0.00 175.17 176.33 2tdm h ASP 133 N 9.53 0.00 0.21 -0.34 5.19 -1.84 0.35 116.42 129.51 2tdm h ASP 133 Ca 0.09 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.15 2tdm h ASP 133 Cb 1.02 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.54 2tdm h ASP 133 CO 1.30 0.00 -1.77 0.00 -3.12 0.00 0.00 179.24 175.65 2tdm h ALA 134 N 1.06 0.20 -0.34 3.45 0.00 -1.94 -3.06 119.26 118.63 2tdm h ALA 134 Ca 0.59 -1.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2tdm h ALA 134 Cb 2.71 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 20.96 2tdm h ALA 134 CO -0.01 1.07 0.18 0.35 0.00 0.00 0.00 179.25 180.84 2tdm h PHE 135 N 0.10 0.47 -0.56 0.00 3.57 -0.75 -1.28 116.94 118.49 2tdm h PHE 135 Ca -0.35 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.19 2tdm h PHE 135 Cb 2.09 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.63 2tdm h PHE 135 CO 0.10 0.39 0.29 0.00 -2.23 0.00 0.00 178.31 176.86 2tdm h ALA 136 N 1.04 0.73 0.00 2.41 0.00 -0.86 0.64 119.26 123.21 2tdm h ALA 136 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2tdm h ALA 136 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2tdm h ALA 136 CO -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.91 2tdm h ALA 137 N 1.30 1.34 0.13 0.00 0.00 -1.38 0.55 119.26 121.20 2tdm h ALA 137 Ca 0.25 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2tdm h ALA 137 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2tdm h ALA 137 CO -0.17 0.35 -1.77 -0.22 0.00 0.00 0.00 179.25 177.44 2tdm h LYS 138 N 0.00 0.27 0.00 0.00 1.63 0.07 -3.38 116.57 115.15 2tdm h LYS 138 Ca -0.00 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2tdm h LYS 138 Cb 0.56 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2tdm h LYS 138 CO 0.04 1.13 -0.57 0.66 -3.45 0.00 0.00 179.45 177.25 2tdm n TYR 139 N -3.45 0.00 0.10 1.91 4.01 0.21 -4.69 117.16 115.24 2tdm n TYR 139 Ca -0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.48 2tdm n TYR 139 Cb 1.06 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.04 2tdm n TYR 139 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2tdm h GLY 140 N 0.00 0.00 -6.41 2.72 0.00 0.06 -3.44 103.07 96.00 2tdm h GLY 140 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2tdm h GLY 140 CO 0.00 0.00 0.55 -0.35 0.00 0.00 0.00 176.54 176.74 2tdm s ASP 141 N -6.54 6.65 0.20 0.19 2.15 -1.09 -0.63 116.67 117.60 2tdm s ASP 141 Ca 0.02 0.53 0.10 0.00 0.43 0.00 0.00 52.55 53.63 2tdm s ASP 141 Cb 0.09 -2.45 0.04 0.00 -0.30 0.00 0.00 42.92 40.29 2tdm s ASP 141 CO 0.78 -0.83 1.42 -0.07 -0.17 0.00 0.00 175.17 176.30 2tdm h LEU 142 N 10.01 0.00 0.00 -1.34 3.38 -1.39 -3.49 115.31 122.48 2tdm h LEU 142 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2tdm h LEU 142 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2tdm h LEU 142 CO 0.97 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.89 2tdm n GLY 143 N 0.97 1.45 3.47 0.83 0.00 -1.25 -4.80 105.19 105.86 2tdm n GLY 143 Ca -0.00 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 2tdm n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tdm s LEU 144 N 0.00 4.90 0.23 0.99 1.43 -1.26 -4.64 118.68 120.33 2tdm s LEU 144 Ca 0.00 -2.58 0.04 0.00 -1.03 0.00 0.00 54.13 50.57 2tdm s LEU 144 Cb 0.00 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2tdm s LEU 144 CO 0.00 -0.91 -0.03 -0.69 0.23 0.00 0.00 176.35 174.95 2tdm s VAL 145 N 2.28 1.18 0.35 -1.59 1.01 -1.26 -5.01 120.40 117.36 2tdm s VAL 145 Ca 0.40 -2.06 0.15 0.00 0.00 0.00 0.00 61.98 60.48 2tdm s VAL 145 Cb -0.03 -2.31 0.34 0.00 0.00 0.00 0.00 36.38 34.37 2tdm s VAL 145 CO -0.03 -0.36 1.64 1.88 0.00 0.00 0.00 175.10 178.23 2tdm h TYR 146 N 2.46 0.86 -0.09 5.22 0.05 -1.92 -0.85 116.97 122.70 2tdm h TYR 146 Ca -0.38 0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.47 2tdm h TYR 146 Cb 1.22 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.71 2tdm h TYR 146 CO 0.61 -0.26 -0.13 0.78 -1.05 0.00 0.00 178.16 178.10 2tdm h GLY 147 N 0.23 -0.09 1.62 3.88 0.00 -1.77 0.57 103.07 107.51 2tdm h GLY 147 Ca 0.75 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 48.10 2tdm h GLY 147 CO -0.66 -0.14 -0.53 1.48 0.00 0.00 0.00 176.54 176.70 2tdm h SER 148 N -0.18 0.45 -0.33 0.19 4.64 -1.41 -0.55 113.55 116.36 2tdm h SER 148 Ca 0.08 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 2tdm h SER 148 Cb 0.29 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2tdm h SER 148 CO -0.20 0.90 -0.12 1.56 -0.87 0.00 0.00 176.83 178.10 2tdm h GLN 149 N 0.32 0.77 0.03 4.77 4.20 -0.71 0.64 115.11 125.12 2tdm h GLN 149 Ca 0.01 -0.26 -0.26 0.00 0.06 0.00 0.00 58.65 58.20 2tdm h GLN 149 Cb 1.03 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.77 2tdm h GLN 149 CO 0.09 0.85 -1.07 -1.49 -0.67 0.00 0.00 178.83 176.55 2tdm h TRP 150 N 0.69 0.91 -0.00 2.96 4.06 0.30 -3.37 115.95 121.50 2tdm h TRP 150 Ca 0.12 -0.52 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2tdm h TRP 150 Cb 0.60 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2tdm h TRP 150 CO 0.03 1.35 -0.03 0.54 -3.56 0.00 0.00 178.44 176.77 2tdm n ARG 151 N -3.80 1.83 -2.71 0.49 1.74 -0.23 -1.08 116.66 112.91 2tdm n ARG 151 Ca -0.10 -0.41 -0.09 0.00 -0.77 0.00 0.00 57.85 56.48 2tdm n ARG 151 Cb 0.90 -0.88 0.06 0.00 -1.02 0.00 0.00 32.46 31.52 2tdm n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2tdm n ALA 152 N -0.29 2.33 -1.64 7.54 0.00 0.22 -3.93 120.51 124.75 2tdm n ALA 152 Ca 0.01 -2.37 -0.41 0.00 0.00 0.00 0.00 53.44 50.67 2tdm n ALA 152 Cb 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2tdm n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2tdm s TRP 153 N -1.67 1.20 0.17 0.00 -0.11 -0.60 -4.64 118.94 113.31 2tdm s TRP 153 Ca 0.26 0.84 -0.31 0.00 1.22 0.00 0.00 56.10 58.10 2tdm s TRP 153 Cb 0.42 -3.85 -0.09 0.00 -1.50 0.00 0.00 33.47 28.45 2tdm s TRP 153 CO -0.02 -3.51 1.47 -1.01 -4.62 0.00 0.00 176.95 169.26 2tdm s HIS 154 N 9.30 3.12 0.61 5.86 3.76 -1.26 -0.87 115.29 135.80 2tdm s HIS 154 Ca 0.97 0.85 0.03 0.00 -0.15 0.00 0.00 55.06 56.77 2tdm s HIS 154 Cb -0.27 -3.81 0.08 0.00 1.11 0.00 0.00 32.58 29.69 2tdm s HIS 154 CO 0.32 -2.85 0.84 0.95 -0.85 0.00 0.00 174.74 173.16 2tdm s THR 155 N 0.79 2.37 0.19 1.30 -4.23 -0.52 -4.94 115.64 110.59 2tdm s THR 155 Ca 0.65 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2tdm s THR 155 Cb -0.41 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.71 2tdm s THR 155 CO 0.34 0.00 1.45 0.77 -0.54 0.00 0.00 174.62 176.64 2tdm h SER 156 N -0.08 0.39 -0.05 3.99 4.64 -1.95 -2.79 113.55 117.70 2tdm h SER 156 Ca -0.37 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 2tdm h SER 156 Cb 1.28 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2tdm h SER 156 CO 0.44 0.99 0.03 0.29 -0.87 0.00 0.00 176.83 177.71 2tdm n LYS 157 N -3.81 1.15 -0.24 4.77 5.02 -1.26 -4.84 118.16 118.95 2tdm n LYS 157 Ca -0.04 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2tdm n LYS 157 Cb 0.71 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2tdm n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2tdm n GLY 158 N 0.26 0.83 0.00 0.72 0.00 -1.05 -4.96 105.19 100.98 2tdm n GLY 158 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2tdm n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2tdm n ASP 159 N 0.00 0.00 -3.80 1.61 2.03 -1.26 -4.75 116.55 110.38 2tdm n ASP 159 Ca 0.00 -0.01 -0.13 0.00 0.52 0.00 0.00 54.79 55.17 2tdm n ASP 159 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2tdm n ASP 159 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2tdm s THR 160 N 0.32 0.02 -0.16 5.18 2.01 -1.26 -1.44 115.64 120.31 2tdm s THR 160 Ca 0.00 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 2tdm s THR 160 Cb 0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2tdm s THR 160 CO 0.00 -0.10 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.17 2tdm s ILE 161 N -0.34 3.92 -1.25 1.82 -1.09 -0.05 -4.88 121.20 119.33 2tdm s ILE 161 Ca -0.04 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 2tdm s ILE 161 Cb -0.03 -2.73 0.19 0.00 -1.58 0.00 0.00 42.46 38.31 2tdm s ILE 161 CO 0.01 0.48 1.77 -0.67 -1.23 0.00 0.00 174.94 175.31 2tdm n ASP 162 N 3.65 5.26 -0.29 3.58 2.03 -1.25 -1.55 116.55 127.98 2tdm n ASP 162 Ca -0.17 -3.13 -0.08 0.00 0.52 0.00 0.00 54.79 51.93 2tdm n ASP 162 Cb 0.52 -1.46 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 2tdm n ASP 162 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2tdm n GLN 163 N 3.74 -0.30 -0.07 -0.67 7.27 -1.08 -0.93 117.38 125.33 2tdm n GLN 163 Ca 0.38 1.25 -0.10 0.00 0.07 0.00 0.00 57.00 58.59 2tdm n GLN 163 Cb 0.37 -1.84 -0.03 0.00 2.41 0.00 0.00 30.24 31.15 2tdm n GLN 163 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2tdm h LEU 164 N 0.00 0.32 -0.68 1.69 6.46 -1.43 -2.32 115.31 119.35 2tdm h LEU 164 Ca 0.11 -0.10 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 2tdm h LEU 164 Cb 0.28 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.05 2tdm h LEU 164 CO -0.65 0.33 0.28 1.23 -0.62 0.00 0.00 178.44 179.01 2tdm h GLY 165 N 0.29 0.99 0.87 3.75 0.00 -1.51 -0.84 103.07 106.61 2tdm h GLY 165 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2tdm h GLY 165 CO -0.01 -0.02 -0.03 -0.55 0.00 0.00 0.00 176.54 175.92 2tdm h ASP 166 N 0.47 -0.08 -0.93 0.19 3.32 -0.88 -2.82 116.42 115.68 2tdm h ASP 166 Ca 0.35 -0.12 0.19 0.00 0.02 0.00 0.00 57.03 57.47 2tdm h ASP 166 Cb 0.44 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.91 2tdm h ASP 166 CO -0.32 0.07 0.51 0.58 -1.72 0.00 0.00 179.24 178.36 2tdm h VAL 167 N -0.23 0.64 -0.37 -1.35 2.07 -0.82 -0.36 116.25 115.84 2tdm h VAL 167 Ca -0.01 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2tdm h VAL 167 Cb 0.20 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2tdm h VAL 167 CO 0.02 0.11 -0.22 0.40 0.02 0.00 0.00 177.57 177.90 2tdm h ILE 168 N 0.62 1.27 -0.22 4.57 2.04 -0.97 -0.91 117.51 123.92 2tdm h ILE 168 Ca 0.55 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 2tdm h ILE 168 Cb 0.90 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2tdm h ILE 168 CO -0.42 0.44 -0.17 1.05 0.00 0.00 0.00 178.15 179.05 2tdm h GLU 169 N 0.64 0.38 -0.61 2.37 4.11 -0.88 -2.29 114.58 118.30 2tdm h GLU 169 Ca 0.09 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 2tdm h GLU 169 Cb 0.72 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2tdm h GLU 169 CO 0.06 0.54 -0.00 1.96 0.07 0.00 0.00 179.01 181.64 2tdm h GLN 170 N 0.35 1.08 -0.21 1.06 1.08 -0.55 -1.40 115.11 116.52 2tdm h GLN 170 Ca 0.06 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 2tdm h GLN 170 Cb 0.51 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2tdm h GLN 170 CO 0.03 1.05 -0.01 0.82 -0.95 0.00 0.00 178.83 179.78 2tdm h ILE 171 N 0.98 1.14 0.02 2.54 2.04 -0.62 0.46 117.51 124.07 2tdm h ILE 171 Ca 0.17 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2tdm h ILE 171 Cb 0.57 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2tdm h ILE 171 CO 0.03 0.18 -0.01 0.11 0.00 0.00 0.00 178.15 178.46 2tdm h LYS 172 N 0.30 -0.03 0.00 2.37 1.57 -1.17 -2.69 116.57 116.93 2tdm h LYS 172 Ca 0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2tdm h LYS 172 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2tdm h LYS 172 CO 0.01 0.59 -0.40 1.79 -0.57 0.00 0.00 179.45 180.86 2tdm h THR 173 N -0.67 0.69 -1.34 -0.16 1.35 -1.11 -3.40 112.91 108.27 2tdm h THR 173 Ca -0.00 -1.96 -0.40 0.00 -0.55 0.00 0.00 66.41 63.49 2tdm h THR 173 Cb 0.63 2.33 -0.28 0.00 -1.73 0.00 0.00 68.15 69.10 2tdm h THR 173 CO 0.00 0.39 -0.80 1.41 -0.25 0.00 0.00 175.52 176.27 2tdm n HIS 174 N -3.20 -1.93 0.27 4.73 8.25 0.16 -4.99 115.22 118.51 2tdm n HIS 174 Ca 0.02 -2.62 0.12 0.00 -0.26 0.00 0.00 57.72 54.99 2tdm n HIS 174 Cb 0.69 0.64 0.77 0.00 1.12 0.00 0.00 29.99 33.21 2tdm n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2tdm h PRO 175 N 4.51 0.00 -0.35 -0.41 0.13 -1.58 -1.14 132.00 133.16 2tdm h PRO 175 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2tdm h PRO 175 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2tdm h PRO 175 CO 0.33 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 178.79 2tdm n TYR 176 N -4.06 0.26 -2.18 1.56 4.01 -1.26 -3.73 117.16 111.76 2tdm n TYR 176 Ca -0.03 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.17 2tdm n TYR 176 Cb 0.12 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 2tdm n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2tdm s SER 177 N -0.78 6.74 0.38 7.72 0.15 -0.43 -4.88 113.70 122.60 2tdm s SER 177 Ca 0.10 1.95 0.27 0.00 0.70 0.00 0.00 55.95 58.98 2tdm s SER 177 Cb 0.06 -2.53 0.97 0.00 -1.71 0.00 0.00 66.02 62.81 2tdm s SER 177 CO 0.06 -0.90 1.80 0.03 1.20 0.00 0.00 173.24 175.43 2tdm h ARG 178 N 9.16 0.00 -0.75 5.44 3.08 -1.90 -3.27 114.38 126.14 2tdm h ARG 178 Ca -0.34 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2tdm h ARG 178 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2tdm h ARG 178 CO 0.97 0.00 0.07 0.54 -1.07 0.00 0.00 179.97 180.48 2tdm n ARG 179 N -2.66 3.50 -1.50 0.04 1.74 -1.26 -4.80 116.66 111.72 2tdm n ARG 179 Ca 0.03 -2.23 -0.40 0.00 -0.77 0.00 0.00 57.85 54.47 2tdm n ARG 179 Cb 0.34 -2.02 -0.01 0.00 -1.02 0.00 0.00 32.46 29.75 2tdm n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2tdm n LEU 180 N 0.27 7.05 -4.58 0.55 4.77 -1.24 -4.93 117.00 118.90 2tdm n LEU 180 Ca 0.23 -4.02 -0.33 0.00 -0.03 0.00 0.00 56.01 51.86 2tdm n LEU 180 Cb 0.99 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 2tdm n LEU 180 CO 0.26 1.22 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.53 2tdm s ILE 181 N 3.09 3.64 -0.08 -0.08 1.09 -1.26 -1.97 121.20 125.62 2tdm s ILE 181 Ca 0.54 -0.58 0.04 0.00 -1.10 0.00 0.00 60.65 59.55 2tdm s ILE 181 Cb 0.15 -2.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 2tdm s ILE 181 CO -0.06 0.54 -0.22 -0.69 -0.10 0.00 0.00 174.94 174.41 2tdm s VAL 182 N -0.86 2.29 0.01 2.92 1.01 -0.82 -4.98 120.40 119.97 2tdm s VAL 182 Ca 0.14 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2tdm s VAL 182 Cb -0.11 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2tdm s VAL 182 CO 0.03 0.56 -0.20 -0.55 0.00 0.00 0.00 175.10 174.95 2tdm s SER 183 N 0.04 2.32 0.00 3.32 0.15 -1.26 -2.21 113.70 116.05 2tdm s SER 183 Ca -0.09 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.17 2tdm s SER 183 Cb -0.15 -0.23 0.06 0.00 -1.71 0.00 0.00 66.02 63.99 2tdm s SER 183 CO 0.05 0.20 0.93 0.00 1.20 0.00 0.00 173.24 175.62 2tdm n ALA 184 N 2.29 2.17 -3.31 5.45 0.00 -0.70 -4.76 120.51 121.65 2tdm n ALA 184 Ca -0.16 -0.89 -0.47 0.00 0.00 0.00 0.00 53.44 51.92 2tdm n ALA 184 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2tdm n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2tdm s TRP 185 N -0.78 3.63 -0.41 0.00 -0.11 -1.22 -4.68 118.94 115.35 2tdm s TRP 185 Ca 0.05 -1.82 -0.20 0.00 1.22 0.00 0.00 56.10 55.35 2tdm s TRP 185 Cb 0.03 -3.84 0.02 0.00 -1.50 0.00 0.00 33.47 28.18 2tdm s TRP 185 CO 0.04 -1.02 0.62 1.21 -4.62 0.00 0.00 176.95 173.18 2tdm s ASN 186 N 2.52 6.33 0.52 5.86 3.84 -1.26 -4.94 114.94 127.80 2tdm s ASN 186 Ca 0.16 -0.24 0.22 0.00 0.21 0.00 0.00 52.86 53.20 2tdm s ASN 186 Cb -0.14 -2.31 1.32 0.00 -0.55 0.00 0.00 41.25 39.57 2tdm s ASN 186 CO -0.06 -0.71 2.03 -0.65 -2.79 0.00 0.00 177.10 174.92 2tdm h PRO 187 N 8.76 0.05 0.00 0.43 0.11 -2.00 -1.67 132.00 137.67 2tdm h PRO 187 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2tdm h PRO 187 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2tdm h PRO 187 CO 0.87 0.03 -0.29 1.05 -0.21 0.00 0.00 178.00 179.44 2tdm h GLU 188 N 0.05 0.00 0.00 1.05 4.11 -2.04 -3.35 114.58 114.40 2tdm h GLU 188 Ca 0.19 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.25 2tdm h GLU 188 Cb 0.70 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 2tdm h GLU 188 CO -0.01 0.00 -2.38 -0.25 0.07 0.00 0.00 179.01 176.44 2tdm n ASP 189 N -2.72 0.12 -0.32 3.06 8.00 -0.90 -4.57 116.55 119.23 2tdm n ASP 189 Ca 0.03 0.00 0.27 0.00 0.71 0.00 0.00 54.79 55.81 2tdm n ASP 189 Cb 0.50 0.90 0.59 0.00 -0.02 0.00 0.00 41.12 43.09 2tdm n ASP 189 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2tdm h VAL 190 N 0.00 0.47 0.00 2.53 2.07 -1.45 -1.62 116.25 118.25 2tdm h VAL 190 Ca -0.54 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2tdm h VAL 190 Cb 2.23 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2tdm h VAL 190 CO 0.03 0.05 -0.04 -0.65 0.02 0.00 0.00 177.57 176.97 2tdm h PRO 191 N 0.26 0.00 -0.15 1.57 0.11 -1.81 -3.07 132.00 128.91 2tdm h PRO 191 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 2tdm h PRO 191 Cb 1.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.88 2tdm h PRO 191 CO -0.22 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 177.87 2tdm n THR 192 N -3.16 1.61 -3.22 -1.15 -2.24 -0.64 -5.00 114.28 100.49 2tdm n THR 192 Ca 0.01 -1.59 -0.39 0.00 -2.27 0.00 0.00 64.05 59.81 2tdm n THR 192 Cb 0.33 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 2tdm n THR 192 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2tdm s MET 193 N -2.03 4.33 0.32 -0.78 0.00 -1.04 -4.96 119.30 115.14 2tdm s MET 193 Ca 0.26 0.67 0.04 0.00 0.00 0.00 0.00 55.69 56.67 2tdm s MET 193 Cb 0.20 -3.38 0.54 0.00 0.00 0.00 0.00 34.83 32.19 2tdm s MET 193 CO 0.07 0.26 1.81 0.00 0.00 0.00 0.00 175.02 177.16 2tdm h ALA 194 N 6.11 1.27 -2.04 4.11 0.00 -1.93 -3.38 119.26 123.40 2tdm h ALA 194 Ca -0.43 -0.27 -0.41 0.00 0.00 0.00 0.00 54.91 53.80 2tdm h ALA 194 Cb 1.19 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 18.53 2tdm h ALA 194 CO 0.72 0.48 -0.73 -1.17 0.00 0.00 0.00 179.25 178.56 2tdm s LEU 195 N -8.83 0.16 0.42 0.00 2.96 -1.26 -5.13 118.68 107.00 2tdm s LEU 195 Ca -0.07 -1.79 -0.26 0.00 -0.22 0.00 0.00 54.13 51.79 2tdm s LEU 195 Cb 0.15 0.39 -0.09 0.00 0.50 0.00 0.00 46.19 47.13 2tdm s LEU 195 CO 0.77 -0.25 1.39 -0.81 -1.32 0.00 0.00 176.35 176.13 2tdm n PRO 196 N 4.06 2.24 -1.12 0.98 -0.04 -1.26 -4.82 135.00 135.05 2tdm n PRO 196 Ca 0.13 0.79 -0.44 0.00 -0.04 0.00 0.00 63.50 63.94 2tdm n PRO 196 Cb 0.44 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 2tdm n PRO 196 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2tdm n PRO 197 N 0.03 0.00 0.04 0.54 -0.02 -1.26 -4.90 135.00 129.42 2tdm n PRO 197 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 2tdm n PRO 197 Cb 0.40 -1.10 -0.14 0.00 -0.02 0.00 0.00 33.50 32.63 2tdm n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2tdm s HIS 199 N -2.54 3.85 0.32 0.00 3.76 -1.26 -1.31 115.29 118.11 2tdm s HIS 199 Ca -0.19 -2.34 0.01 0.00 -0.15 0.00 0.00 55.06 52.39 2tdm s HIS 199 Cb 0.05 -4.07 0.55 0.00 1.11 0.00 0.00 32.58 30.23 2tdm s HIS 199 CO 0.81 -1.17 1.97 1.15 -0.85 0.00 0.00 174.74 176.64 2tdm h THR 200 N 4.27 1.14 -1.55 1.30 2.02 -1.64 -3.43 112.91 115.04 2tdm h THR 200 Ca 0.23 -0.34 0.14 0.00 0.77 0.00 0.00 66.41 67.21 2tdm h THR 200 Cb 0.89 0.07 -0.22 0.00 -1.74 0.00 0.00 68.15 67.15 2tdm h THR 200 CO 1.10 0.18 0.65 -0.22 0.37 0.00 0.00 175.52 177.60 2tdm s LEU 201 N -9.86 -0.28 0.04 2.58 1.98 -1.20 -1.72 118.68 110.22 2tdm s LEU 201 Ca -0.11 0.24 -0.10 0.00 -2.89 0.00 0.00 54.13 51.26 2tdm s LEU 201 Cb 0.18 1.68 0.01 0.00 0.66 0.00 0.00 46.19 48.72 2tdm s LEU 201 CO 0.78 -0.31 0.21 -0.72 -1.89 0.00 0.00 176.35 174.43 2tdm s TYR 202 N -1.50 0.02 -0.00 5.38 1.13 -0.94 -0.33 117.35 121.10 2tdm s TYR 202 Ca 0.02 -0.22 0.03 0.00 -1.41 0.00 0.00 57.07 55.49 2tdm s TYR 202 Cb -0.01 -0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2tdm s TYR 202 CO -0.02 -0.44 -0.10 -1.14 -2.51 0.00 0.00 175.55 171.34 2tdm s GLN 203 N -2.52 0.76 0.39 -3.49 0.74 -0.02 -1.95 119.66 113.58 2tdm s GLN 203 Ca -0.05 -0.36 0.04 0.00 0.05 0.00 0.00 55.36 55.04 2tdm s GLN 203 Cb -0.01 -0.73 -0.00 0.00 1.10 0.00 0.00 33.01 33.36 2tdm s GLN 203 CO -0.04 0.20 0.56 -0.06 -0.55 0.00 0.00 175.29 175.41 2tdm s PHE 204 N -0.26 3.12 -0.26 1.67 0.08 -0.83 -1.00 117.98 120.50 2tdm s PHE 204 Ca 0.03 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 2tdm s PHE 204 Cb -0.04 -2.17 0.07 0.00 -0.57 0.00 0.00 43.02 40.32 2tdm s PHE 204 CO -0.00 -0.20 0.66 -0.47 -0.10 0.00 0.00 175.22 175.10 2tdm s TYR 205 N -2.35 -0.92 -0.05 0.36 6.14 -0.11 -4.71 117.35 115.72 2tdm s TYR 205 Ca 0.47 1.95 0.04 0.00 0.64 0.00 0.00 57.07 60.17 2tdm s TYR 205 Cb -0.10 0.48 -0.00 0.00 0.42 0.00 0.00 41.96 42.76 2tdm s TYR 205 CO 0.34 -0.45 -0.17 0.08 0.64 0.00 0.00 175.55 175.98 2tdm s VAL 206 N 1.20 1.45 -0.25 3.14 1.01 -1.24 -0.69 120.40 125.02 2tdm s VAL 206 Ca -0.07 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 2tdm s VAL 206 Cb -0.05 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.16 2tdm s VAL 206 CO -0.13 0.42 0.85 0.21 0.00 0.00 0.00 175.10 176.46 2tdm s ASN 207 N 0.17 -0.60 -1.43 3.32 2.47 -1.05 -4.62 114.94 113.19 2tdm s ASN 207 Ca -0.07 1.10 -0.02 0.00 0.42 0.00 0.00 52.86 54.30 2tdm s ASN 207 Cb -0.13 1.10 0.01 0.00 -1.45 0.00 0.00 41.25 40.78 2tdm s ASN 207 CO 0.03 -0.25 0.14 0.47 -3.72 0.00 0.00 177.10 173.77 2tdm n ASP 208 N 2.24 -5.00 0.00 -4.21 8.00 -1.26 -1.26 116.55 115.06 2tdm n ASP 208 Ca -0.14 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2tdm n ASP 208 Cb 0.56 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 2tdm n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2tdm n GLY 209 N -1.03 0.69 3.68 0.44 0.00 -1.26 -4.99 105.19 102.71 2tdm n GLY 209 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2tdm n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tdm s LYS 210 N -0.28 3.27 -0.17 1.61 1.02 -0.39 -0.17 119.74 124.63 2tdm s LYS 210 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 2tdm s LYS 210 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2tdm s LYS 210 CO 0.00 0.59 0.09 -1.17 -0.92 0.00 0.00 175.35 173.94 2tdm s LEU 211 N -0.56 3.98 0.16 3.17 2.96 0.25 -2.53 118.68 126.11 2tdm s LEU 211 Ca 0.10 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2tdm s LEU 211 Cb -0.12 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2tdm s LEU 211 CO 0.02 0.22 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.65 2tdm s SER 212 N 0.13 2.62 -0.01 3.68 0.01 0.14 0.76 113.70 121.02 2tdm s SER 212 Ca 0.06 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2tdm s SER 212 Cb -0.12 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.97 2tdm s SER 212 CO 0.00 -0.04 -0.03 -0.22 0.41 0.00 0.00 173.24 173.36 2tdm s LEU 213 N -2.60 1.75 -0.07 2.44 0.20 -0.58 -0.94 118.68 118.89 2tdm s LEU 213 Ca 0.15 -0.06 0.05 0.00 0.69 0.00 0.00 54.13 54.96 2tdm s LEU 213 Cb -0.06 -0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 45.47 2tdm s LEU 213 CO 0.06 0.00 -0.22 -1.58 -0.29 0.00 0.00 176.35 174.32 2tdm s GLN 214 N 0.25 2.65 -0.11 1.98 0.74 -0.17 -0.59 119.66 124.41 2tdm s GLN 214 Ca -0.02 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.55 2tdm s GLN 214 Cb -0.05 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.80 2tdm s GLN 214 CO -0.01 0.39 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.79 2tdm s LEU 215 N -0.18 2.52 -0.41 3.68 0.20 -0.06 -0.84 118.68 123.58 2tdm s LEU 215 Ca -0.02 -0.38 -0.14 0.00 0.69 0.00 0.00 54.13 54.27 2tdm s LEU 215 Cb -0.14 -1.54 0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2tdm s LEU 215 CO 0.03 0.19 0.30 -0.47 -0.29 0.00 0.00 176.35 176.11 2tdm s TYR 216 N 0.17 3.24 -0.29 5.38 5.04 0.55 -0.61 117.35 130.82 2tdm s TYR 216 Ca -0.09 -0.73 -0.06 0.00 -2.44 0.00 0.00 57.07 53.75 2tdm s TYR 216 Cb -0.16 -2.66 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2tdm s TYR 216 CO 0.06 -0.64 0.05 -1.14 -1.34 0.00 0.00 175.55 172.54 2tdm s GLN 217 N 1.64 2.92 0.31 4.97 0.74 -0.57 -2.23 119.66 127.45 2tdm s GLN 217 Ca 0.04 -0.96 0.01 0.00 0.05 0.00 0.00 55.36 54.51 2tdm s GLN 217 Cb -0.20 -3.31 0.50 0.00 1.10 0.00 0.00 33.01 31.11 2tdm s GLN 217 CO 0.09 -0.49 1.86 0.07 -0.55 0.00 0.00 175.29 176.27 2tdm h ARG 218 N 8.18 0.71 -4.11 1.67 0.11 -1.51 -0.66 114.38 118.77 2tdm h ARG 218 Ca -0.30 -0.14 -0.35 0.00 0.10 0.00 0.00 59.98 59.30 2tdm h ARG 218 Cb 1.11 -0.11 -0.31 0.00 1.11 0.00 0.00 29.97 31.77 2tdm h ARG 218 CO 0.59 0.65 -0.76 -1.12 0.10 0.00 0.00 179.97 179.44 2tdm s SER 219 N -6.63 0.64 -0.04 0.08 0.01 -1.26 -0.49 113.70 106.00 2tdm s SER 219 Ca -0.09 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2tdm s SER 219 Cb 0.16 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2tdm s SER 219 CO 0.78 0.00 -0.04 0.00 0.41 0.00 0.00 173.24 174.39 2tdm s ALA 220 N 0.36 0.63 -0.72 1.44 0.00 0.04 -4.93 121.76 118.59 2tdm s ALA 220 Ca -0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 2tdm s ALA 220 Cb -0.08 -0.39 0.15 0.00 0.00 0.00 0.00 23.12 22.81 2tdm s ALA 220 CO -0.00 0.00 0.76 0.34 0.00 0.00 0.00 175.76 176.86 2tdm s ASP 221 N 0.85 6.45 0.27 0.00 -1.08 -1.26 -0.99 116.67 120.90 2tdm s ASP 221 Ca -0.11 -2.00 -0.01 0.00 -0.52 0.00 0.00 52.55 49.90 2tdm s ASP 221 Cb -0.14 -2.27 0.58 0.00 -1.46 0.00 0.00 42.92 39.62 2tdm s ASP 221 CO 0.00 -0.89 1.69 0.40 0.52 0.00 0.00 175.17 176.90 2tdm h ILE 222 N 5.53 0.51 0.14 4.11 2.04 -1.17 0.65 117.51 129.31 2tdm h ILE 222 Ca -0.09 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2tdm h ILE 222 Cb 1.06 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2tdm h ILE 222 CO 0.98 0.06 -0.07 0.15 0.00 0.00 0.00 178.15 179.28 2tdm h PHE 223 N 0.35 -0.17 0.01 1.37 3.57 -1.93 -3.35 116.94 116.79 2tdm h PHE 223 Ca 0.48 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.74 2tdm h PHE 223 Cb 0.85 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2tdm h PHE 223 CO -0.20 -0.10 -1.17 -0.07 -2.23 0.00 0.00 178.31 174.53 2tdm h LEU 224 N -1.05 0.03 0.00 0.59 3.38 -1.95 -3.41 115.31 112.89 2tdm h LEU 224 Ca -0.02 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2tdm h LEU 224 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2tdm h LEU 224 CO 0.03 1.03 -1.14 0.61 0.09 0.00 0.00 178.44 179.06 2tdm n GLY 225 N 1.41 -0.75 0.32 0.83 0.00 0.21 -4.61 105.19 102.59 2tdm n GLY 225 Ca -0.04 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.00 2tdm n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2tdm h VAL 226 N -1.00 0.35 -0.65 1.61 2.07 -1.11 -1.93 116.25 115.58 2tdm h VAL 226 Ca -0.20 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2tdm h VAL 226 Cb 1.00 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2tdm h VAL 226 CO -0.12 0.05 0.43 1.55 0.02 0.00 0.00 177.57 179.50 2tdm h PRO 227 N 0.28 0.86 -0.05 1.57 0.13 -1.79 -0.91 132.00 132.09 2tdm h PRO 227 Ca 0.59 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.62 2tdm h PRO 227 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2tdm h PRO 227 CO -0.62 0.57 -0.17 0.74 -0.23 0.00 0.00 178.00 178.30 2tdm h PHE 228 N 0.89 0.27 -0.51 1.56 -1.00 -1.62 -3.25 116.94 113.28 2tdm h PHE 228 Ca 0.24 -0.11 0.07 0.00 2.81 0.00 0.00 57.97 60.98 2tdm h PHE 228 Cb -0.10 -0.05 -0.06 0.00 3.61 0.00 0.00 35.95 39.35 2tdm h PHE 228 CO 0.00 0.79 0.17 -0.91 -1.61 0.00 0.00 178.31 176.75 2tdm h ASN 229 N -0.33 0.15 -0.66 2.17 -0.26 -1.19 -1.80 115.58 113.66 2tdm h ASN 229 Ca -0.01 0.07 0.08 0.00 -0.56 0.00 0.00 56.30 55.89 2tdm h ASN 229 Cb 0.80 0.06 -0.07 0.00 -1.06 0.00 0.00 38.32 38.05 2tdm h ASN 229 CO 0.04 0.11 0.32 0.40 -1.06 0.00 0.00 177.43 177.24 2tdm h ILE 230 N 0.33 0.85 -0.41 2.81 2.04 -1.26 -2.70 117.51 119.18 2tdm h ILE 230 Ca 0.25 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 2tdm h ILE 230 Cb 0.28 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2tdm h ILE 230 CO -0.26 0.10 -0.10 0.00 0.00 0.00 0.00 178.15 177.89 2tdm h ALA 231 N 1.40 0.56 -0.29 1.87 0.00 -1.44 -2.09 119.26 119.27 2tdm h ALA 231 Ca 0.32 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2tdm h ALA 231 Cb 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2tdm h ALA 231 CO -0.26 0.44 0.05 0.77 0.00 0.00 0.00 179.25 180.25 2tdm h SER 232 N 0.60 0.01 0.88 0.00 0.02 -1.04 -0.76 113.55 113.25 2tdm h SER 232 Ca 0.10 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 2tdm h SER 232 Cb 0.63 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 2tdm h SER 232 CO 0.04 0.04 -0.85 1.88 -1.14 0.00 0.00 176.83 176.80 2tdm h TYR 233 N 0.16 0.00 -0.34 3.45 -1.99 -1.50 -0.42 116.97 116.32 2tdm h TYR 233 Ca 0.13 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.72 2tdm h TYR 233 Cb 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.87 2tdm h TYR 233 CO -0.17 0.85 -0.37 0.00 -0.00 0.00 0.00 178.16 178.47 2tdm h ALA 234 N 1.15 0.51 0.04 3.88 0.00 -1.25 0.35 119.26 123.93 2tdm h ALA 234 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2tdm h ALA 234 Cb 1.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2tdm h ALA 234 CO 0.11 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 181.16 2tdm h LEU 235 N 0.64 -0.12 -1.29 0.00 6.46 -1.08 -0.91 115.31 119.02 2tdm h LEU 235 Ca 0.05 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2tdm h LEU 235 Cb 0.96 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.87 2tdm h LEU 235 CO 0.09 -0.07 0.54 0.25 -0.62 0.00 0.00 178.44 178.62 2tdm h LEU 236 N -0.10 0.72 -0.90 2.25 7.12 -0.83 0.71 115.31 124.28 2tdm h LEU 236 Ca 0.01 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.94 2tdm h LEU 236 Cb 0.10 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2tdm h LEU 236 CO -0.02 0.43 -0.19 0.74 -0.13 0.00 0.00 178.44 179.27 2tdm h THR 237 N 0.80 1.26 -0.22 1.05 2.02 -0.17 -1.72 112.91 115.93 2tdm h THR 237 Ca 0.38 -1.21 -0.19 0.00 0.77 0.00 0.00 66.41 66.15 2tdm h THR 237 Cb 0.40 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2tdm h THR 237 CO -0.15 0.40 -0.63 0.45 0.37 0.00 0.00 175.52 175.95 2tdm h HIS 238 N 0.54 0.99 0.33 3.16 3.86 0.42 -2.18 115.15 122.27 2tdm h HIS 238 Ca 0.09 -0.39 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2tdm h HIS 238 Cb 0.63 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2tdm h HIS 238 CO 0.03 1.20 -0.16 -0.07 0.86 0.00 0.00 177.93 179.78 2tdm h LEU 239 N 0.57 -0.38 -1.31 2.43 3.38 -0.88 -1.25 115.31 117.86 2tdm h LEU 239 Ca -0.01 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2tdm h LEU 239 Cb 1.24 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 2tdm h LEU 239 CO 0.13 -0.08 0.51 0.58 0.09 0.00 0.00 178.44 179.67 2tdm h VAL 240 N -0.70 1.03 -0.63 1.22 2.07 -1.40 0.92 116.25 118.77 2tdm h VAL 240 Ca -0.05 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2tdm h VAL 240 Cb 0.48 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2tdm h VAL 240 CO 0.08 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.99 2tdm h ALA 241 N 1.58 1.12 0.37 1.67 0.00 -1.25 -1.74 119.26 121.01 2tdm h ALA 241 Ca 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2tdm h ALA 241 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2tdm h ALA 241 CO -0.12 0.60 -0.18 1.25 0.00 0.00 0.00 179.25 180.80 2tdm h HIS 242 N 0.93 -0.46 -0.12 0.00 6.17 0.37 -1.25 115.15 120.79 2tdm h HIS 242 Ca 0.20 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.28 2tdm h HIS 242 Cb 0.30 0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.37 2tdm h HIS 242 CO 0.02 -0.25 0.04 1.49 0.71 0.00 0.00 177.93 179.94 2tdm h GLU 243 N -0.56 0.10 0.00 5.26 4.81 -1.06 -2.64 114.58 120.50 2tdm h GLU 243 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2tdm h GLU 243 Cb 0.42 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2tdm h GLU 243 CO 0.08 0.06 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 2tdm n GLY 245 N 0.57 -0.23 3.63 0.00 0.00 -0.73 -4.98 105.19 103.44 2tdm n GLY 245 Ca 0.15 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2tdm n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tdm s LEU 246 N -5.41 3.07 0.65 0.99 1.43 -0.55 -5.06 118.68 113.81 2tdm s LEU 246 Ca 0.29 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 2tdm s LEU 246 Cb -0.13 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2tdm s LEU 246 CO 0.36 -0.08 1.00 -1.61 0.23 0.00 0.00 176.35 176.25 2tdm s GLU 247 N -3.68 2.88 -0.10 1.70 8.01 0.77 -4.48 118.70 123.80 2tdm s GLU 247 Ca 0.33 0.23 -0.15 0.00 0.01 0.00 0.00 54.97 55.39 2tdm s GLU 247 Cb -0.04 -2.14 -0.05 0.00 -4.31 0.00 0.00 34.13 27.59 2tdm s GLU 247 CO 0.19 -0.88 0.37 0.54 0.01 0.00 0.00 175.26 175.50 2tdm s VAL 248 N -3.18 5.20 0.00 2.63 0.11 -1.26 -0.59 120.40 123.31 2tdm s VAL 248 Ca 0.56 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 2tdm s VAL 248 Cb -0.11 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2tdm s VAL 248 CO 0.49 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 173.30 2tdm n GLY 249 N 2.86 0.30 3.40 6.54 0.00 0.23 -4.48 105.19 114.04 2tdm n GLY 249 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2tdm n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tdm s GLU 250 N 2.36 1.47 -0.23 1.61 2.02 -1.25 -0.34 118.70 124.34 2tdm s GLU 250 Ca 0.00 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.33 2tdm s GLU 250 Cb 0.00 -1.40 0.03 0.00 0.10 0.00 0.00 34.13 32.85 2tdm s GLU 250 CO 0.00 0.25 -0.11 0.12 0.02 0.00 0.00 175.26 175.54 2tdm s PHE 251 N -2.72 3.01 -0.24 1.61 5.36 -0.00 -1.52 117.98 123.47 2tdm s PHE 251 Ca 0.25 -1.69 -0.08 0.00 -0.96 0.00 0.00 56.93 54.46 2tdm s PHE 251 Cb -0.03 -2.00 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 2tdm s PHE 251 CO 0.10 -0.77 0.08 0.42 -1.46 0.00 0.00 175.22 173.59 2tdm s ILE 252 N 1.28 4.47 -0.33 3.12 1.01 0.24 -0.39 121.20 130.61 2tdm s ILE 252 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2tdm s ILE 252 Cb -0.16 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2tdm s ILE 252 CO -0.07 0.35 0.15 -2.28 0.00 0.00 0.00 174.94 173.09 2tdm s HIS 253 N 1.44 3.19 -0.10 3.97 2.46 0.97 -0.88 115.29 126.34 2tdm s HIS 253 Ca 0.06 -0.78 -0.04 0.00 0.47 0.00 0.00 55.06 54.77 2tdm s HIS 253 Cb -0.15 -2.35 -0.04 0.00 -0.13 0.00 0.00 32.58 29.91 2tdm s HIS 253 CO 0.04 -0.54 0.05 0.99 -2.47 0.00 0.00 174.74 172.82 2tdm s THR 254 N 1.57 4.75 0.11 0.89 2.01 0.22 -1.24 115.64 123.95 2tdm s THR 254 Ca 0.03 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.06 2tdm s THR 254 Cb -0.18 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2tdm s THR 254 CO 0.06 0.60 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.97 2tdm s PHE 255 N -0.85 2.18 0.00 4.92 0.08 0.29 -1.51 117.98 123.09 2tdm s PHE 255 Ca 0.13 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2tdm s PHE 255 Cb -0.12 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 2tdm s PHE 255 CO 0.03 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 2tdm n GLY 256 N 1.05 0.19 3.42 4.36 0.00 -0.25 -2.51 105.19 111.45 2tdm n GLY 256 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 2tdm n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2tdm s ASP 257 N -1.00 6.33 -0.36 1.61 -1.08 0.35 -0.61 116.67 121.91 2tdm s ASP 257 Ca 0.00 -1.49 -0.16 0.00 -0.52 0.00 0.00 52.55 50.37 2tdm s ASP 257 Cb 0.00 -2.37 -0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2tdm s ASP 257 CO 0.00 -1.20 0.42 0.00 0.52 0.00 0.00 175.17 174.90 2tdm s ALA 258 N 3.11 3.48 0.26 3.66 0.00 -1.03 -0.78 121.76 130.47 2tdm s ALA 258 Ca 0.22 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2tdm s ALA 258 Cb -0.15 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2tdm s ALA 258 CO 0.03 -1.21 0.02 -3.38 0.00 0.00 0.00 175.76 171.22 2tdm s HIS 259 N 2.15 1.70 -0.14 0.00 -3.43 -0.16 -2.41 115.29 113.00 2tdm s HIS 259 Ca 0.14 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.45 2tdm s HIS 259 Cb -0.16 -1.03 0.02 0.00 -1.43 0.00 0.00 32.58 29.98 2tdm s HIS 259 CO 0.12 -0.05 -0.14 -1.17 -2.00 0.00 0.00 174.74 171.51 2tdm s LEU 260 N -3.37 1.65 0.23 5.38 1.98 0.19 -0.51 118.68 124.24 2tdm s LEU 260 Ca 0.32 -0.46 -0.30 0.00 -2.89 0.00 0.00 54.13 50.80 2tdm s LEU 260 Cb 0.07 -1.14 -0.09 0.00 0.66 0.00 0.00 46.19 45.69 2tdm s LEU 260 CO 0.12 -0.05 1.16 -0.31 -1.89 0.00 0.00 176.35 175.37 2tdm s TYR 261 N 1.42 3.47 0.54 5.38 2.02 -1.26 -0.31 117.35 128.61 2tdm s TYR 261 Ca 0.03 1.55 0.34 0.00 -0.37 0.00 0.00 57.07 58.62 2tdm s TYR 261 Cb -0.13 -3.38 1.51 0.00 -0.40 0.00 0.00 41.96 39.56 2tdm s TYR 261 CO -0.09 -0.94 1.85 -0.24 -1.57 0.00 0.00 175.55 174.55 2tdm h VAL 262 N 3.44 0.48 -0.02 0.71 3.04 -1.31 0.00 116.25 122.59 2tdm h VAL 262 Ca -0.46 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2tdm h VAL 262 Cb 1.21 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2tdm h VAL 262 CO 0.71 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.81 2tdm n ASN 263 N -4.23 1.19 0.00 3.17 6.94 -1.26 -3.42 115.26 117.65 2tdm n ASN 263 Ca 0.22 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 2tdm n ASN 263 Cb 1.10 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2tdm n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2tdm n HIS 264 N 0.03 0.00 -0.11 -2.53 8.25 -0.01 -4.50 115.22 116.34 2tdm n HIS 264 Ca 0.01 -0.03 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 2tdm n HIS 264 Cb 0.29 -0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.76 2tdm n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2tdm h LEU 265 N 0.00 0.61 -0.58 2.41 4.07 -1.69 -2.52 115.31 117.61 2tdm h LEU 265 Ca 0.00 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 2tdm h LEU 265 Cb 0.37 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2tdm h LEU 265 CO 0.00 0.43 -0.25 0.44 -1.08 0.00 0.00 178.44 177.97 2tdm h ASP 266 N 0.71 0.89 0.11 -0.43 3.32 -1.90 -2.70 116.42 116.42 2tdm h ASP 266 Ca 0.24 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2tdm h ASP 266 Cb 0.06 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2tdm h ASP 266 CO -0.06 1.09 -0.05 1.56 -1.72 0.00 0.00 179.24 180.06 2tdm h GLN 267 N 0.74 -0.14 -0.48 3.56 7.50 -1.86 -1.76 115.11 122.67 2tdm h GLN 267 Ca 0.09 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.25 2tdm h GLN 267 Cb 0.80 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.34 2tdm h GLN 267 CO 0.07 0.24 0.29 0.97 -1.50 0.00 0.00 178.83 178.90 2tdm h ILE 268 N -0.56 1.14 -0.72 2.54 6.09 -1.55 0.81 117.51 125.26 2tdm h ILE 268 Ca -0.01 -0.30 -0.05 0.00 -1.37 0.00 0.00 64.86 63.13 2tdm h ILE 268 Cb 0.45 0.45 -0.03 0.00 0.47 0.00 0.00 36.82 38.16 2tdm h ILE 268 CO 0.02 0.14 0.27 0.50 -3.07 0.00 0.00 178.15 176.01 2tdm h LYS 269 N 0.66 1.08 -0.11 2.19 3.64 -1.41 -1.71 116.57 120.92 2tdm h LYS 269 Ca 0.18 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2tdm h LYS 269 Cb -0.03 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2tdm h LYS 269 CO -0.03 0.89 -0.10 1.49 -2.27 0.00 0.00 179.45 179.43 2tdm h GLU 270 N 1.05 0.26 -0.11 1.90 4.22 -0.11 -2.90 114.58 118.89 2tdm h GLU 270 Ca 0.24 -0.14 0.03 0.00 0.08 0.00 0.00 59.36 59.58 2tdm h GLU 270 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2tdm h GLU 270 CO -0.02 0.67 0.09 0.37 -2.18 0.00 0.00 179.01 177.94 2tdm h GLN 271 N -0.13 0.00 0.00 1.92 4.15 -0.71 -0.55 115.11 119.79 2tdm h GLN 271 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2tdm h GLN 271 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2tdm h GLN 271 CO 0.03 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.21 2tdm n LEU 272 N -4.26 0.00 0.04 -2.39 4.77 -0.66 -2.25 117.00 112.25 2tdm n LEU 272 Ca -0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2tdm n LEU 272 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2tdm n LEU 272 CO 0.32 0.00 -0.21 -1.20 -1.33 0.00 0.00 177.39 174.97 2tdm n SER 273 N -0.82 0.52 -4.77 -1.43 7.64 -0.21 -4.95 113.62 109.59 2tdm n SER 273 Ca 0.13 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 2tdm n SER 273 Cb 0.06 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 2tdm n SER 273 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2tdm s ARG 274 N -3.33 4.56 -0.05 1.43 0.52 -0.95 -5.07 118.95 116.06 2tdm s ARG 274 Ca -0.01 1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 56.18 2tdm s ARG 274 Cb 0.13 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 2tdm s ARG 274 CO 0.83 0.55 0.49 0.99 0.02 0.00 0.00 175.30 178.18 2tdm s THR 275 N -1.06 5.05 0.37 0.02 2.01 -1.26 -5.01 115.64 115.75 2tdm s THR 275 Ca 0.36 0.99 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 2tdm s THR 275 Cb -0.23 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.35 2tdm s THR 275 CO 0.26 0.43 1.46 -2.65 -0.69 0.00 0.00 174.62 173.44 2tdm n PRO 276 N 2.81 2.59 -3.48 4.92 -0.02 -1.26 -4.85 135.00 135.71 2tdm n PRO 276 Ca -0.09 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 2tdm n PRO 276 Cb 0.52 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 2tdm n PRO 276 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2tdm s ARG 277 N -1.95 3.33 0.51 -0.52 6.06 -1.26 -4.99 118.95 120.12 2tdm s ARG 277 Ca 0.54 -0.60 -0.23 0.00 -2.50 0.00 0.00 55.73 52.95 2tdm s ARG 277 Cb -0.49 -2.73 -0.06 0.00 0.06 0.00 0.00 34.95 31.73 2tdm s ARG 277 CO 0.63 0.13 1.31 -2.14 -2.50 0.00 0.00 175.30 172.73 2tdm s PRO 278 N -4.25 3.38 0.48 5.12 0.02 -1.26 -4.87 135.00 133.62 2tdm s PRO 278 Ca 0.41 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 63.36 2tdm s PRO 278 Cb -0.09 -2.36 -0.08 0.00 0.02 0.00 0.00 34.50 31.99 2tdm s PRO 278 CO 0.34 -0.97 1.05 0.00 -0.33 0.00 0.00 177.00 177.09 2tdm s ALA 279 N -1.35 2.88 1.08 -1.55 0.00 -1.26 -4.73 121.76 116.83 2tdm s ALA 279 Ca 0.68 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 2tdm s ALA 279 Cb -0.38 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 19.71 2tdm s ALA 279 CO 0.45 -0.34 1.11 -1.25 0.00 0.00 0.00 175.76 175.74 2tdm s PRO 280 N -3.18 -0.25 0.12 0.00 0.04 -1.25 -4.74 135.00 125.74 2tdm s PRO 280 Ca 0.67 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.99 2tdm s PRO 280 Cb -0.17 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2tdm s PRO 280 CO 0.21 -3.12 -0.22 0.99 0.04 0.00 0.00 177.00 174.91 2tdm s THR 281 N -3.05 1.84 -0.12 1.26 2.01 -0.01 -0.76 115.64 116.81 2tdm s THR 281 Ca 0.68 -1.64 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 2tdm s THR 281 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2tdm s THR 281 CO 0.56 -0.07 0.09 -0.22 -0.69 0.00 0.00 174.62 174.29 2tdm s LEU 282 N -2.05 4.07 -0.17 4.42 2.96 -1.26 -1.34 118.68 125.30 2tdm s LEU 282 Ca 0.09 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2tdm s LEU 282 Cb -0.09 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2tdm s LEU 282 CO 0.05 0.37 0.00 -1.58 -1.32 0.00 0.00 176.35 173.87 2tdm s GLN 283 N -0.80 0.91 -0.10 1.98 0.74 0.81 -4.97 119.66 118.23 2tdm s GLN 283 Ca 0.13 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.08 2tdm s GLN 283 Cb -0.12 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 2tdm s GLN 283 CO 0.03 -0.54 0.10 -0.51 -0.55 0.00 0.00 175.29 173.82 2tdm s LEU 284 N 1.78 4.12 -0.34 3.68 1.43 -1.26 -0.77 118.68 127.32 2tdm s LEU 284 Ca -0.00 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 2tdm s LEU 284 Cb -0.16 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 2tdm s LEU 284 CO -0.07 0.39 2.28 -3.20 0.23 0.00 0.00 176.35 175.97 2tdm n ASN 285 N 1.94 2.63 0.05 2.29 4.05 -0.25 -4.85 115.26 121.12 2tdm n ASN 285 Ca -0.19 0.11 0.01 0.00 0.45 0.00 0.00 54.58 54.96 2tdm n ASN 285 Cb 0.54 -1.46 0.33 0.00 1.23 0.00 0.00 39.78 40.43 2tdm n ASN 285 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2tdm h PRO 286 N 15.17 0.39 -0.58 1.20 0.11 -1.96 -3.12 132.00 143.22 2tdm h PRO 286 Ca -0.32 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2tdm h PRO 286 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2tdm h PRO 286 CO 1.03 0.49 0.16 -0.44 -0.21 0.00 0.00 178.00 179.03 2tdm h ASP 287 N 0.38 0.86 -3.87 -2.05 3.32 -2.01 -3.42 116.42 109.62 2tdm h ASP 287 Ca 0.08 -0.22 -0.47 0.00 0.02 0.00 0.00 57.03 56.44 2tdm h ASP 287 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2tdm h ASP 287 CO 0.02 0.85 0.22 -0.75 -1.72 0.00 0.00 179.24 177.86 2tdm s LYS 288 N -5.36 4.15 0.00 3.56 2.20 -1.18 -4.97 119.74 118.15 2tdm s LYS 288 Ca -0.13 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 2tdm s LYS 288 Cb 0.13 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2tdm s LYS 288 CO 0.81 0.10 0.00 0.72 -0.36 0.00 0.00 175.35 176.61 2tdm n HIS 289 N -0.37 0.00 -1.95 4.03 8.25 -1.26 -4.86 115.22 119.07 2tdm n HIS 289 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 2tdm n HIS 289 Cb 0.53 0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 2tdm n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2tdm s ASP 290 N -3.65 5.26 0.55 0.41 -1.08 -1.26 -4.29 116.67 112.61 2tdm s ASP 290 Ca 0.00 0.69 0.28 0.00 -0.52 0.00 0.00 52.55 52.99 2tdm s ASP 290 Cb 0.00 -2.52 1.59 0.00 -1.46 0.00 0.00 42.92 40.53 2tdm s ASP 290 CO 0.00 -2.32 2.15 0.16 0.52 0.00 0.00 175.17 175.68 2tdm h ILE 291 N 7.01 0.57 0.00 4.11 3.07 -1.94 -2.19 117.51 128.13 2tdm h ILE 291 Ca -0.27 -0.32 -0.03 0.00 1.55 0.00 0.00 64.86 65.79 2tdm h ILE 291 Cb 1.18 1.20 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2tdm h ILE 291 CO 1.17 0.07 -0.16 -0.26 -1.05 0.00 0.00 178.15 177.92 2tdm h PHE 292 N 0.00 0.00 -1.01 0.16 0.04 -1.89 -2.16 116.94 112.08 2tdm h PHE 292 Ca -0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.12 2tdm h PHE 292 Cb 0.20 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.01 2tdm h PHE 292 CO 0.00 0.16 0.33 -0.25 -0.60 0.00 0.00 178.31 177.95 2tdm n ASP 293 N -3.64 6.78 -4.91 2.17 8.00 -0.82 -4.69 116.55 119.43 2tdm n ASP 293 Ca -0.01 -3.78 -0.31 0.00 0.71 0.00 0.00 54.79 51.39 2tdm n ASP 293 Cb 0.29 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 2tdm n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2tdm s PHE 294 N -3.77 3.52 0.06 1.24 0.40 -0.81 -4.97 117.98 113.64 2tdm s PHE 294 Ca 0.59 0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 57.21 2tdm s PHE 294 Cb 0.47 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 2tdm s PHE 294 CO -0.03 0.57 0.04 0.34 0.70 0.00 0.00 175.22 176.84 2tdm s ASP 295 N -2.40 0.37 0.00 1.36 2.15 -1.26 -5.00 116.67 111.89 2tdm s ASP 295 Ca 0.35 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2tdm s ASP 295 Cb -0.13 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 2tdm s ASP 295 CO 0.26 -0.62 0.00 0.23 -0.17 0.00 0.00 175.17 174.86 2tdm n MET 296 N 0.12 0.00 0.29 4.34 2.81 -1.26 -0.65 117.12 122.77 2tdm n MET 296 Ca -0.15 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 55.92 2tdm n MET 296 Cb 0.61 0.00 0.85 0.00 -0.71 0.00 0.00 33.22 33.97 2tdm n MET 296 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2tdm h LYS 297 N 0.00 0.00 -0.04 0.03 2.10 -2.03 -2.90 116.57 113.72 2tdm h LYS 297 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2tdm h LYS 297 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2tdm h LYS 297 CO 0.00 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.23 2tdm n ASP 298 N -3.18 0.40 -3.83 7.07 8.00 0.17 -4.62 116.55 120.56 2tdm n ASP 298 Ca -0.01 -1.55 -0.29 0.00 0.71 0.00 0.00 54.79 53.65 2tdm n ASP 298 Cb 0.23 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 2tdm n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tdm s ILE 299 N -1.94 1.05 0.01 0.53 1.01 -1.10 -1.09 121.20 119.68 2tdm s ILE 299 Ca 0.26 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2tdm s ILE 299 Cb 0.13 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2tdm s ILE 299 CO 0.20 -0.23 -0.19 -0.54 0.00 0.00 0.00 174.94 174.19 2tdm s LYS 300 N 1.60 2.15 -0.18 2.79 1.02 0.05 -5.00 119.74 122.18 2tdm s LYS 300 Ca -0.02 -0.92 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 2tdm s LYS 300 Cb -0.18 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2tdm s LYS 300 CO -0.09 0.56 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.57 2tdm s LEU 301 N -1.16 2.38 0.17 3.17 2.96 -1.26 -0.13 118.68 124.80 2tdm s LEU 301 Ca 0.13 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2tdm s LEU 301 Cb -0.10 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2tdm s LEU 301 CO 0.03 0.03 0.00 -0.76 -1.32 0.00 0.00 176.35 174.33 2tdm s LEU 302 N 1.16 3.34 -1.26 -0.68 1.02 -0.45 -4.75 118.68 117.05 2tdm s LEU 302 Ca 0.01 -0.37 -0.06 0.00 0.02 0.00 0.00 54.13 53.73 2tdm s LEU 302 Cb -0.14 -2.00 0.01 0.00 0.02 0.00 0.00 46.19 44.08 2tdm s LEU 302 CO -0.07 0.10 1.09 0.59 0.02 0.00 0.00 176.35 178.08 2tdm n ASN 303 N -0.07 -5.13 -4.46 2.29 3.02 -1.26 -0.83 115.26 108.82 2tdm n ASN 303 Ca -0.10 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.48 2tdm n ASN 303 Cb 0.55 -4.88 -0.07 0.00 -0.61 0.00 0.00 39.78 34.77 2tdm n ASN 303 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2tdm s TYR 304 N -3.32 3.09 -0.63 3.10 5.04 -1.26 -3.84 117.35 119.53 2tdm s TYR 304 Ca 0.42 -0.46 0.06 0.00 -2.44 0.00 0.00 57.07 54.65 2tdm s TYR 304 Cb -0.18 -3.34 0.22 0.00 0.35 0.00 0.00 41.96 39.00 2tdm s TYR 304 CO 0.70 -0.92 0.62 -3.47 -1.34 0.00 0.00 175.55 171.14 2tdm n ASP 305 N 5.99 2.97 -4.90 4.32 2.03 -1.26 -5.07 116.55 120.63 2tdm n ASP 305 Ca -0.06 -3.24 -0.28 0.00 0.52 0.00 0.00 54.79 51.72 2tdm n ASP 305 Cb 0.46 -0.69 0.03 0.00 -0.72 0.00 0.00 41.12 40.19 2tdm n ASP 305 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2tdm s PRO 306 N -1.89 3.14 0.82 -0.67 0.04 -1.26 -4.88 135.00 130.30 2tdm s PRO 306 Ca 0.34 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 2tdm s PRO 306 Cb 0.08 -2.19 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2tdm s PRO 306 CO -0.08 -0.67 1.10 0.71 0.04 0.00 0.00 177.00 178.09 2tdm s TYR 307 N -3.07 2.72 0.84 0.56 1.51 0.10 -4.86 117.35 115.15 2tdm s TYR 307 Ca 0.54 1.13 -0.12 0.00 -1.01 0.00 0.00 57.07 57.61 2tdm s TYR 307 Cb -0.11 -3.16 0.10 0.00 -0.11 0.00 0.00 41.96 38.69 2tdm s TYR 307 CO 0.48 -1.93 1.16 -1.25 -1.11 0.00 0.00 175.55 172.91 2tdm s PRO 308 N -5.14 1.49 0.88 -1.71 0.04 -1.26 -2.14 135.00 127.16 2tdm s PRO 308 Ca 0.61 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2tdm s PRO 308 Cb -0.15 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.74 2tdm s PRO 308 CO 0.54 -2.29 1.09 0.00 0.04 0.00 0.00 177.00 176.39 2tdm s ALA 309 N -2.45 1.60 -0.22 8.56 0.00 -1.26 -3.82 121.76 124.17 2tdm s ALA 309 Ca 0.69 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2tdm s ALA 309 Cb -0.25 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.69 2tdm s ALA 309 CO 0.54 -2.33 -0.05 0.42 0.00 0.00 0.00 175.76 174.33 2tdm s ILE 310 N -2.88 1.40 0.69 0.00 1.01 -1.26 -4.91 121.20 115.26 2tdm s ILE 310 Ca 0.63 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 2tdm s ILE 310 Cb -0.19 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2tdm s ILE 310 CO 0.57 -0.06 1.21 -0.75 0.00 0.00 0.00 174.94 175.91 2tdm s LYS 311 N 1.46 2.39 -0.20 2.79 2.20 -1.26 -5.04 119.74 122.08 2tdm s LYS 311 Ca -0.04 1.77 -0.27 0.00 -0.36 0.00 0.00 55.97 57.07 2tdm s LYS 311 Cb -0.18 -1.86 0.08 0.00 -1.51 0.00 0.00 37.83 34.36 2tdm s LYS 311 CO -0.07 -1.65 0.78 0.00 -0.36 0.00 0.00 175.35 174.05 2tdm s ALA 312 N -1.89 -1.82 0.82 3.13 0.00 -1.26 -4.97 121.76 115.78 2tdm s ALA 312 Ca 0.75 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 54.38 2tdm s ALA 312 Cb -0.29 -0.86 0.08 0.00 0.00 0.00 0.00 23.12 22.05 2tdm s ALA 312 CO 0.42 -0.33 1.09 -2.14 0.00 0.00 0.00 175.76 174.80 2tdm s PRO 313 N -0.19 1.87 0.19 0.00 0.02 -1.26 -5.04 135.00 130.59 2tdm s PRO 313 Ca -0.03 0.90 0.04 0.00 0.02 0.00 0.00 61.00 61.93 2tdm s PRO 313 Cb -0.03 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2tdm s PRO 313 CO 0.02 -1.84 0.29 0.08 -0.33 0.00 0.00 177.00 175.22 2tdm s VAL 314 N -2.98 5.13 -0.17 3.83 1.01 -1.26 -4.97 120.40 120.99 2tdm s VAL 314 Ca 0.62 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2tdm s VAL 314 Cb -0.17 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2tdm s VAL 314 CO 0.56 -0.20 0.17 0.00 0.00 0.00 0.00 175.10 175.63 2tdm s ALA 315 N -1.86 3.72 0.00 5.51 0.00 -1.26 -5.10 121.76 122.77 2tdm s ALA 315 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2tdm s ALA 315 Cb -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2tdm s ALA 315 CO 0.28 0.27 0.00 1.33 0.00 0.00 0.00 175.76 177.64