#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thy h LEU 2 N 0.00 0.51 -0.56 4.03 5.85 -1.95 -2.87 115.31 120.31 1thy h LEU 2 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1thy h LEU 2 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1thy h LEU 2 CO 0.00 0.32 -0.03 -1.84 -0.34 0.00 0.00 178.44 176.55 1thy n GLU 3 N -4.48 1.30 -0.27 1.25 0.28 -1.26 -4.31 120.64 113.15 1thy n GLU 3 Ca 0.09 -0.56 0.08 0.00 -0.16 0.00 0.00 57.16 56.61 1thy n GLU 3 Cb 0.28 -1.49 0.20 0.00 1.43 0.00 0.00 31.44 31.86 1thy n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1thy h GLN 4 N 1.36 0.18 -1.13 3.44 5.75 -1.95 0.72 115.11 123.47 1thy h GLN 4 Ca 0.00 -0.01 0.36 0.00 -0.15 0.00 0.00 58.65 58.85 1thy h GLN 4 Cb 0.33 -0.04 -0.13 0.00 1.07 0.00 0.00 27.48 28.71 1thy h GLN 4 CO 0.00 0.12 0.70 -1.35 -2.65 0.00 0.00 178.83 175.64 1thy h PRO 5 N 0.18 0.22 -0.35 -2.39 0.11 -1.86 0.20 132.00 128.11 1thy h PRO 5 Ca 0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.44 1thy h PRO 5 Cb 0.84 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1thy h PRO 5 CO -0.62 0.15 -0.22 -0.92 -0.21 0.00 0.00 178.00 176.18 1thy h TYR 6 N 0.23 0.90 -0.33 0.65 3.20 -1.18 0.16 116.97 120.61 1thy h TYR 6 Ca 0.75 -0.24 -0.15 0.00 3.14 0.00 0.00 58.73 62.23 1thy h TYR 6 Cb 2.02 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 1thy h TYR 6 CO -0.01 0.99 -0.39 -0.07 -1.64 0.00 0.00 178.16 177.04 1thy h LEU 7 N 0.56 0.91 -1.09 2.82 4.07 -0.59 0.00 115.31 121.99 1thy h LEU 7 Ca 0.07 -0.49 -0.06 0.00 0.08 0.00 0.00 57.88 57.49 1thy h LEU 7 Cb 0.77 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1thy h LEU 7 CO 0.06 1.21 0.00 0.44 -1.08 0.00 0.00 178.44 179.07 1thy h ASP 8 N 0.62 0.61 -0.47 -0.43 3.32 -1.13 0.20 116.42 119.14 1thy h ASP 8 Ca 0.04 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 1thy h ASP 8 Cb 0.98 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1thy h ASP 8 CO 0.09 0.68 -0.12 0.25 -1.72 0.00 0.00 179.24 178.43 1thy h LEU 9 N 0.61 0.94 -0.02 1.55 6.46 0.29 -2.01 115.31 123.13 1thy h LEU 9 Ca 0.13 -0.31 -0.15 0.00 -0.12 0.00 0.00 57.88 57.43 1thy h LEU 9 Cb 0.38 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1thy h LEU 9 CO 0.01 1.06 -0.56 0.00 -0.62 0.00 0.00 178.44 178.34 1thy h ALA 10 N 1.02 0.09 -0.55 1.25 0.00 -0.44 -1.01 119.26 119.61 1thy h ALA 10 Ca 0.13 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1thy h ALA 10 Cb 0.66 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1thy h ALA 10 CO 0.05 0.34 0.28 -0.22 0.00 0.00 0.00 179.25 179.69 1thy h LYS 11 N -0.09 0.52 -0.49 0.00 1.63 -0.70 -0.79 116.57 116.66 1thy h LYS 11 Ca -0.06 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1thy h LYS 11 Cb 1.26 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 1thy h LYS 11 CO 0.11 0.35 0.32 -0.22 -3.45 0.00 0.00 179.45 176.55 1thy h LYS 12 N 0.54 0.62 -0.66 1.90 3.64 -1.25 -0.14 116.57 121.22 1thy h LYS 12 Ca 0.24 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1thy h LYS 12 Cb 0.15 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1thy h LYS 12 CO -0.17 0.41 0.09 0.28 -2.27 0.00 0.00 179.45 177.79 1thy h VAL 13 N 0.64 1.27 -0.61 2.00 2.07 -0.76 0.87 116.25 121.73 1thy h VAL 13 Ca 0.18 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.73 1thy h VAL 13 Cb -0.06 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1thy h VAL 13 CO -0.05 0.40 0.21 -0.07 0.02 0.00 0.00 177.57 178.08 1thy h LEU 14 N 1.03 0.19 0.06 2.57 3.38 -0.24 0.12 115.31 122.41 1thy h LEU 14 Ca 0.20 0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.95 1thy h LEU 14 Cb 0.47 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1thy h LEU 14 CO 0.02 0.11 -1.71 0.44 0.09 0.00 0.00 178.44 177.39 1thy h ASP 15 N 0.38 0.18 0.00 -0.43 3.32 -0.68 -3.39 116.42 115.80 1thy h ASP 15 Ca 0.31 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1thy h ASP 15 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1thy h ASP 15 CO -0.33 1.31 -1.40 -0.62 -1.72 0.00 0.00 179.24 176.48 1thy n GLU 16 N -3.25 0.76 -1.65 3.56 4.71 0.27 -5.02 120.64 120.01 1thy n GLU 16 Ca -0.20 -0.09 -0.47 0.00 -0.01 0.00 0.00 57.16 56.39 1thy n GLU 16 Cb 1.04 -1.41 -0.04 0.00 -1.01 0.00 0.00 31.44 30.02 1thy n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1thy n GLY 17 N 1.43 0.90 3.82 0.62 0.00 0.41 -4.95 105.19 107.41 1thy n GLY 17 Ca -0.00 0.65 -0.38 0.00 0.00 0.00 0.00 46.02 46.28 1thy n GLY 17 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1thy s HIS 18 N 0.67 3.74 0.55 1.61 3.76 -0.90 -4.66 115.29 120.06 1thy s HIS 18 Ca 0.79 1.10 -0.20 0.00 -0.15 0.00 0.00 55.06 56.60 1thy s HIS 18 Cb -0.75 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 1thy s HIS 18 CO 0.42 0.58 1.23 0.12 -0.85 0.00 0.00 174.74 176.23 1thy s PHE 19 N -0.94 2.49 -0.16 1.40 5.36 -1.26 -0.42 117.98 124.46 1thy s PHE 19 Ca 0.26 1.49 -0.10 0.00 -0.96 0.00 0.00 56.93 57.62 1thy s PHE 19 Cb -0.18 -3.52 0.05 0.00 -0.34 0.00 0.00 43.02 39.04 1thy s PHE 19 CO 0.15 -2.17 0.39 0.21 -1.46 0.00 0.00 175.22 172.35 1thy s LYS 20 N -3.09 0.40 0.99 10.12 2.20 -0.40 -4.83 119.74 125.11 1thy s LYS 20 Ca 0.73 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.91 1thy s LYS 20 Cb -0.32 0.04 0.18 0.00 -1.51 0.00 0.00 37.83 36.23 1thy s LYS 20 CO 0.36 -0.13 1.08 -1.25 -0.36 0.00 0.00 175.35 175.06 1thy s PRO 21 N 1.03 0.49 0.00 4.03 0.04 -1.26 -1.51 135.00 137.81 1thy s PRO 21 Ca -0.07 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1thy s PRO 21 Cb -0.07 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1thy s PRO 21 CO -0.08 -2.78 0.00 -0.40 0.04 0.00 0.00 177.00 173.78 1thy n ASP 22 N -4.25 0.00 -0.10 6.66 5.75 -1.26 -4.81 116.55 118.53 1thy n ASP 22 Ca 0.06 -0.90 -0.06 0.00 -0.01 0.00 0.00 54.79 53.88 1thy n ASP 22 Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1thy n ASP 22 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1thy h ARG 23 N 0.00 -0.12 -7.16 0.11 2.47 -1.99 -3.43 114.38 104.25 1thy h ARG 23 Ca 0.00 0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1thy h ARG 23 Cb 0.00 0.03 0.13 0.00 -1.65 0.00 0.00 29.97 28.48 1thy h ARG 23 CO 0.00 -0.08 0.40 0.95 0.56 0.00 0.00 179.97 181.80 1thy s THR 24 N -4.17 2.68 0.00 2.04 -4.23 -1.26 -4.86 115.64 105.84 1thy s THR 24 Ca -0.06 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1thy s THR 24 Cb 0.04 -2.94 -0.12 0.00 1.34 0.00 0.00 72.50 70.82 1thy s THR 24 CO 0.28 -0.16 2.56 1.57 -0.54 0.00 0.00 174.62 178.32 1thy n HIS 25 N -2.35 0.00 -3.73 3.99 -0.00 -1.25 -4.64 115.22 107.24 1thy n HIS 25 Ca 0.12 -1.12 -0.16 0.00 0.46 0.00 0.00 57.72 57.02 1thy n HIS 25 Cb 0.51 -0.98 -0.16 0.00 -0.12 0.00 0.00 29.99 29.23 1thy n HIS 25 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1thy s THR 26 N 0.72 -0.09 0.65 3.57 2.01 -1.26 -5.05 115.64 116.20 1thy s THR 26 Ca 0.31 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.51 1thy s THR 26 Cb 0.15 -0.15 0.14 0.00 0.01 0.00 0.00 72.50 72.65 1thy s THR 26 CO 0.00 0.11 0.89 0.61 -0.69 0.00 0.00 174.62 175.54 1thy n GLY 27 N 4.53 -0.36 3.18 4.40 0.00 -1.26 -4.32 105.19 111.36 1thy n GLY 27 Ca -0.20 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1thy n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1thy s THR 28 N -2.75 0.15 -0.25 2.61 -4.23 -0.57 -1.33 115.64 109.28 1thy s THR 28 Ca 0.54 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.48 1thy s THR 28 Cb -0.02 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1thy s THR 28 CO 0.37 -0.70 0.10 -0.31 -0.54 0.00 0.00 174.62 173.54 1thy s TYR 29 N -3.91 3.15 0.10 3.99 1.51 -0.69 -1.28 117.35 120.20 1thy s TYR 29 Ca 0.09 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1thy s TYR 29 Cb 0.06 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1thy s TYR 29 CO -0.08 -0.22 -0.18 0.45 -1.11 0.00 0.00 175.55 174.41 1thy s SER 30 N 1.45 2.18 0.16 2.29 0.15 0.44 -1.34 113.70 119.02 1thy s SER 30 Ca 0.06 -0.69 0.06 0.00 0.70 0.00 0.00 55.95 56.08 1thy s SER 30 Cb -0.15 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1thy s SER 30 CO 0.05 -0.02 -0.12 0.27 1.20 0.00 0.00 173.24 174.62 1thy s ILE 31 N -1.37 1.36 -0.05 6.45 -4.36 -0.17 -2.12 121.20 120.94 1thy s ILE 31 Ca 0.04 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1thy s ILE 31 Cb -0.09 -1.83 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 1thy s ILE 31 CO 0.04 -0.63 -0.20 0.12 0.24 0.00 0.00 174.94 174.50 1thy s PHE 32 N -2.96 2.02 0.00 1.37 5.36 -1.26 -1.40 117.98 121.10 1thy s PHE 32 Ca 0.16 -0.62 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1thy s PHE 32 Cb -0.00 -1.35 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 1thy s PHE 32 CO 0.03 -0.21 0.00 0.41 -1.46 0.00 0.00 175.22 173.99 1thy n GLY 33 N 3.14 -2.39 3.53 13.12 0.00 -0.77 -5.01 105.19 116.80 1thy n GLY 33 Ca -0.18 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1thy n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1thy s HIS 34 N 0.00 -0.65 -0.08 1.61 2.46 -1.08 -4.95 115.29 112.60 1thy s HIS 34 Ca 0.00 1.17 -0.04 0.00 0.47 0.00 0.00 55.06 56.66 1thy s HIS 34 Cb 0.00 0.40 0.04 0.00 -0.13 0.00 0.00 32.58 32.89 1thy s HIS 34 CO 0.00 -0.58 0.18 -1.14 -2.47 0.00 0.00 174.74 170.73 1thy s GLN 35 N -1.07 0.12 0.33 2.88 0.74 -1.26 -0.25 119.66 121.16 1thy s GLN 35 Ca -0.10 0.42 0.08 0.00 0.05 0.00 0.00 55.36 55.81 1thy s GLN 35 Cb -0.00 -0.16 -0.06 0.00 1.10 0.00 0.00 33.01 33.88 1thy s GLN 35 CO 0.09 -0.17 -0.05 0.00 -0.55 0.00 0.00 175.29 174.61 1thy s MET 36 N 1.22 1.72 -0.03 1.67 0.23 -0.68 -4.96 119.30 118.47 1thy s MET 36 Ca -0.09 -1.90 0.01 0.00 -1.03 0.00 0.00 55.69 52.68 1thy s MET 36 Cb -0.11 -1.41 0.02 0.00 -1.53 0.00 0.00 34.83 31.80 1thy s MET 36 CO -0.07 0.05 -0.01 0.50 -2.03 0.00 0.00 175.02 173.46 1thy s ARG 37 N -3.69 0.39 -0.10 3.16 3.52 -1.26 -1.71 118.95 119.25 1thy s ARG 37 Ca 0.32 0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1thy s ARG 37 Cb 0.04 -0.50 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1thy s ARG 37 CO 0.15 -0.08 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.33 1thy s PHE 38 N 0.77 2.00 -0.81 5.12 0.40 0.12 -4.94 117.98 120.64 1thy s PHE 38 Ca -0.08 -0.88 -0.24 0.00 -0.60 0.00 0.00 56.93 55.12 1thy s PHE 38 Cb -0.11 -1.42 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1thy s PHE 38 CO -0.01 -0.43 1.25 0.34 0.70 0.00 0.00 175.22 177.06 1thy s ASP 39 N 0.80 6.29 0.00 1.36 -1.08 -1.26 -0.54 116.67 122.24 1thy s ASP 39 Ca -0.10 -0.96 0.05 0.00 -0.52 0.00 0.00 52.55 51.02 1thy s ASP 39 Cb -0.16 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.08 1thy s ASP 39 CO 0.01 -1.61 0.75 0.18 0.52 0.00 0.00 175.17 175.02 1thy n LEU 40 N 8.66 0.00 -0.05 -1.34 4.77 0.28 -1.02 117.00 128.30 1thy n LEU 40 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1thy n LEU 40 Cb 0.49 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.94 1thy n LEU 40 CO 0.66 0.00 0.60 -1.54 -1.33 0.00 0.00 177.39 175.79 1thy n SER 41 N -0.96 0.52 -0.18 -1.43 3.41 -1.26 -3.64 113.62 110.08 1thy n SER 41 Ca 0.04 -0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1thy n SER 41 Cb 0.02 0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 1thy n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1thy n LYS 42 N -1.30 0.47 -3.98 4.33 4.76 -0.19 -5.06 118.16 117.19 1thy n LYS 42 Ca 0.08 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1thy n LYS 42 Cb 0.33 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1thy n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thy n GLY 43 N 1.45 -1.07 3.26 0.72 0.00 -1.24 -4.82 105.19 103.49 1thy n GLY 43 Ca 0.07 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1thy n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1thy s PHE 44 N -3.00 2.91 0.00 1.61 5.36 -0.49 -4.61 117.98 119.77 1thy s PHE 44 Ca 0.00 -1.13 -0.03 0.00 -0.96 0.00 0.00 56.93 54.81 1thy s PHE 44 Cb 0.00 -2.06 -0.12 0.00 -0.34 0.00 0.00 43.02 40.50 1thy s PHE 44 CO 0.00 -0.62 2.10 -0.35 -1.46 0.00 0.00 175.22 174.89 1thy n PRO 45 N 4.75 1.06 -2.91 10.12 -0.04 -1.26 -4.16 135.00 142.56 1thy n PRO 45 Ca -0.19 -0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 1thy n PRO 45 Cb 0.51 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1thy n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1thy s LEU 46 N 0.00 4.38 0.25 1.53 2.96 -1.26 -4.55 118.68 121.99 1thy s LEU 46 Ca 0.31 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 1thy s LEU 46 Cb 0.15 -3.30 -0.11 0.00 0.50 0.00 0.00 46.19 43.43 1thy s LEU 46 CO 0.00 -0.12 1.53 -0.76 -1.32 0.00 0.00 176.35 175.68 1thy s LEU 47 N 0.60 4.37 0.02 -0.68 1.43 -1.26 -4.77 118.68 118.38 1thy s LEU 47 Ca 0.43 2.78 0.23 0.00 -1.03 0.00 0.00 54.13 56.54 1thy s LEU 47 Cb -0.20 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.45 1thy s LEU 47 CO 0.23 -0.81 1.05 0.35 0.23 0.00 0.00 176.35 177.40 1thy n THR 48 N 2.58 0.06 1.68 5.49 -2.24 -1.26 -4.30 114.28 116.30 1thy n THR 48 Ca 0.09 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1thy n THR 48 Cb 0.39 0.47 0.65 0.00 -2.10 0.00 0.00 70.33 69.74 1thy n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1thy n THR 49 N -1.71 0.03 -3.48 4.28 -2.24 -1.26 -0.44 114.28 109.45 1thy n THR 49 Ca 0.03 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1thy n THR 49 Cb 0.38 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1thy n THR 49 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1thy s LYS 50 N -1.97 1.14 -0.10 -0.78 -2.85 -1.26 -4.68 119.74 109.24 1thy s LYS 50 Ca 0.40 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 55.04 1thy s LYS 50 Cb 0.20 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.48 1thy s LYS 50 CO 0.33 -0.42 1.19 0.21 0.10 0.00 0.00 175.35 176.76 1thy s LYS 51 N -2.22 4.32 -0.15 1.78 2.20 -0.87 -4.68 119.74 120.14 1thy s LYS 51 Ca -0.06 1.63 -0.03 0.00 -0.36 0.00 0.00 55.97 57.15 1thy s LYS 51 Cb -0.00 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1thy s LYS 51 CO 0.01 -0.51 -0.03 0.08 -0.36 0.00 0.00 175.35 174.53 1thy s VAL 52 N 2.56 3.94 -0.98 4.02 1.01 -1.26 -4.72 120.40 124.97 1thy s VAL 52 Ca 0.54 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1thy s VAL 52 Cb -0.23 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 1thy s VAL 52 CO 0.19 0.50 2.04 -2.16 0.00 0.00 0.00 175.10 175.68 1thy s PRO 53 N 0.23 2.21 0.53 2.72 0.04 -1.26 -4.83 135.00 134.63 1thy s PRO 53 Ca -0.02 -0.41 0.18 0.00 0.04 0.00 0.00 61.00 60.79 1thy s PRO 53 Cb -0.14 -5.05 1.35 0.00 0.04 0.00 0.00 34.50 30.69 1thy s PRO 53 CO 0.03 -3.98 2.16 0.35 0.04 0.00 0.00 177.00 175.60 1thy h PHE 54 N 11.14 0.00 -0.35 0.56 3.57 -2.01 -2.47 116.94 127.38 1thy h PHE 54 Ca 0.10 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1thy h PHE 54 Cb 0.99 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1thy h PHE 54 CO 1.18 0.00 0.19 0.78 -2.23 0.00 0.00 178.31 178.23 1thy h GLY 55 N 0.00 0.48 0.71 2.40 0.00 -1.99 -2.22 103.07 102.45 1thy h GLY 55 Ca 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.32 1thy h GLY 55 CO -0.00 0.11 0.54 1.41 0.00 0.00 0.00 176.54 178.60 1thy h LEU 56 N 0.39 0.63 -0.05 3.11 3.38 -1.82 -0.96 115.31 119.99 1thy h LEU 56 Ca 0.14 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1thy h LEU 56 Cb 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1thy h LEU 56 CO -0.09 0.35 -0.04 0.40 0.09 0.00 0.00 178.44 179.16 1thy h ILE 57 N 0.69 1.37 -0.09 1.22 2.04 -1.40 -1.95 117.51 119.39 1thy h ILE 57 Ca 0.39 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1thy h ILE 57 Cb 0.58 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1thy h ILE 57 CO -0.16 0.31 0.06 0.50 0.00 0.00 0.00 178.15 178.86 1thy h LYS 58 N -0.33 0.12 0.00 2.37 3.64 -1.15 -0.17 116.57 121.04 1thy h LYS 58 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1thy h LYS 58 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1thy h LYS 58 CO 0.01 0.09 -0.46 0.66 -2.27 0.00 0.00 179.45 177.49 1thy h SER 59 N 0.10 0.00 -0.34 4.20 4.64 -1.19 -2.31 113.55 118.65 1thy h SER 59 Ca 0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1thy h SER 59 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1thy h SER 59 CO -0.01 0.46 -0.39 -0.08 -0.87 0.00 0.00 176.83 175.94 1thy h GLU 60 N 0.00 0.87 -0.44 4.77 4.81 -0.71 -1.68 114.58 122.21 1thy h GLU 60 Ca -0.00 -0.48 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1thy h GLU 60 Cb 1.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1thy h GLU 60 CO 0.06 1.12 0.02 1.25 -0.73 0.00 0.00 179.01 180.73 1thy h LEU 61 N 0.66 0.74 -0.79 1.64 5.85 -0.88 -2.46 115.31 120.08 1thy h LEU 61 Ca 0.05 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1thy h LEU 61 Cb 0.98 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1thy h LEU 61 CO 0.09 0.85 0.50 -0.07 -0.34 0.00 0.00 178.44 179.48 1thy h LEU 62 N 0.60 0.82 -1.12 2.25 4.07 -1.26 -0.19 115.31 120.48 1thy h LEU 62 Ca 0.13 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1thy h LEU 62 Cb 0.46 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 1thy h LEU 62 CO 0.02 0.55 0.60 -0.25 -1.08 0.00 0.00 178.44 178.28 1thy h TRP 63 N 0.96 1.08 -0.21 1.13 7.01 -0.87 -0.44 115.95 124.61 1thy h TRP 63 Ca 0.32 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 61.16 1thy h TRP 63 Cb 0.05 -0.36 0.01 0.00 -2.10 0.00 0.00 29.16 26.75 1thy h TRP 63 CO -0.03 0.59 -0.62 0.74 -2.79 0.00 0.00 178.44 176.32 1thy h PHE 64 N 1.09 1.03 0.00 2.65 0.04 -0.81 -2.52 116.94 118.42 1thy h PHE 64 Ca 0.38 -0.41 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1thy h PHE 64 Cb 0.13 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1thy h PHE 64 CO -0.00 1.23 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.82 1thy h LEU 65 N 0.54 0.00 -0.57 1.54 4.07 -0.04 -1.38 115.31 119.47 1thy h LEU 65 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1thy h LEU 65 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1thy h LEU 65 CO 0.13 0.06 -0.04 1.41 -1.08 0.00 0.00 178.44 178.92 1thy n HIS 66 N -3.21 0.00 -1.46 1.13 8.25 -0.28 -4.79 115.22 114.86 1thy n HIS 66 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1thy n HIS 66 Cb 0.29 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 1thy n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1thy n GLY 67 N 1.16 1.35 3.82 -1.41 0.00 -0.52 -4.98 105.19 104.61 1thy n GLY 67 Ca 0.19 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1thy n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thy s ASP 68 N -2.82 7.01 -0.03 1.61 -1.08 -0.97 -4.26 116.67 116.12 1thy s ASP 68 Ca 0.00 1.45 0.05 0.00 -0.52 0.00 0.00 52.55 53.53 1thy s ASP 68 Cb 0.00 -2.44 0.07 0.00 -1.46 0.00 0.00 42.92 39.10 1thy s ASP 68 CO 0.00 -0.07 0.92 0.35 0.52 0.00 0.00 175.17 176.89 1thy n THR 69 N 0.32 0.82 -4.42 1.71 -2.24 -1.26 -4.23 114.28 104.98 1thy n THR 69 Ca 0.00 -0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 60.53 1thy n THR 69 Cb 0.52 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1thy n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1thy s ASN 70 N -1.23 4.84 0.60 3.42 3.84 -1.26 -0.65 114.94 124.50 1thy s ASN 70 Ca 0.08 -0.08 0.38 0.00 0.21 0.00 0.00 52.86 53.45 1thy s ASN 70 Cb 0.07 -1.67 1.88 0.00 -0.55 0.00 0.00 41.25 40.98 1thy s ASN 70 CO 0.01 0.22 2.18 0.40 -2.79 0.00 0.00 177.10 177.12 1thy h ILE 71 N 4.91 0.06 -0.94 -5.21 2.04 -1.25 -3.18 117.51 113.94 1thy h ILE 71 Ca -0.36 -0.27 0.25 0.00 1.00 0.00 0.00 64.86 65.48 1thy h ILE 71 Cb 1.19 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1thy h ILE 71 CO 0.61 0.01 0.65 -0.09 0.00 0.00 0.00 178.15 179.33 1thy h ARG 72 N 0.00 0.18 -0.06 2.37 2.43 -1.88 -1.73 114.38 115.70 1thy h ARG 72 Ca -0.00 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1thy h ARG 72 Cb 0.25 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1thy h ARG 72 CO 0.00 0.12 -0.61 0.35 -1.51 0.00 0.00 179.97 178.32 1thy h PHE 73 N 0.19 0.73 -0.63 2.20 3.04 -1.97 -1.82 116.94 118.67 1thy h PHE 73 Ca 0.48 -0.35 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1thy h PHE 73 Cb 1.56 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.94 1thy h PHE 73 CO -0.00 1.16 0.30 -0.07 -2.02 0.00 0.00 178.31 177.67 1thy h LEU 74 N 0.09 0.84 -1.05 0.59 3.38 -1.68 -2.13 115.31 115.35 1thy h LEU 74 Ca -0.06 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1thy h LEU 74 Cb 1.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1thy h LEU 74 CO 0.12 0.74 -0.12 -0.07 0.09 0.00 0.00 178.44 179.20 1thy h LEU 75 N 0.87 0.52 -1.82 1.67 3.38 -1.26 0.38 115.31 119.06 1thy h LEU 75 Ca 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1thy h LEU 75 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1thy h LEU 75 CO -0.03 0.68 -0.14 1.56 0.09 0.00 0.00 178.44 180.61 1thy h GLN 76 N 0.50 0.00 -0.81 1.13 4.20 -1.14 -1.01 115.11 117.98 1thy h GLN 76 Ca 0.09 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.56 1thy h GLN 76 Cb 0.51 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.15 1thy h GLN 76 CO 0.03 0.14 0.30 0.72 -0.67 0.00 0.00 178.83 179.35 1thy n HIS 77 N -3.64 2.36 -1.70 2.96 8.25 0.11 -4.90 115.22 118.65 1thy n HIS 77 Ca -0.02 -1.20 -0.17 0.00 -0.26 0.00 0.00 57.72 56.08 1thy n HIS 77 Cb 0.26 -0.69 -0.06 0.00 1.12 0.00 0.00 29.99 30.63 1thy n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1thy n ARG 78 N -0.22 -1.50 -3.97 -0.41 1.74 -0.38 -4.93 116.66 106.99 1thy n ARG 78 Ca 0.40 0.96 -0.35 0.00 -0.77 0.00 0.00 57.85 58.09 1thy n ARG 78 Cb 1.35 -5.34 -0.11 0.00 -1.02 0.00 0.00 32.46 27.34 1thy n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1thy s ASN 79 N -2.34 5.39 -0.05 0.55 3.84 0.13 -4.97 114.94 117.49 1thy s ASN 79 Ca 0.00 -0.03 0.08 0.00 0.21 0.00 0.00 52.86 53.12 1thy s ASN 79 Cb 0.00 -1.94 0.16 0.00 -0.55 0.00 0.00 41.25 38.92 1thy s ASN 79 CO 0.00 0.10 1.10 1.41 -2.79 0.00 0.00 177.10 176.92 1thy n HIS 80 N 4.01 0.11 -0.28 0.43 8.25 -1.26 -3.40 115.22 123.06 1thy n HIS 80 Ca -0.16 -0.69 0.20 0.00 -0.26 0.00 0.00 57.72 56.81 1thy n HIS 80 Cb 0.52 -0.10 0.49 0.00 1.12 0.00 0.00 29.99 32.02 1thy n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1thy h ILE 81 N 0.31 0.63 -0.22 1.59 2.04 -1.97 -2.28 117.51 117.61 1thy h ILE 81 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1thy h ILE 81 Cb 0.75 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1thy h ILE 81 CO 0.01 0.08 0.00 0.79 0.00 0.00 0.00 178.15 179.04 1thy n TRP 82 N -4.57 0.27 -0.10 1.37 7.02 -1.26 -4.69 117.44 115.48 1thy n TRP 82 Ca 0.22 -0.14 -0.09 0.00 -1.02 0.00 0.00 57.50 56.46 1thy n TRP 82 Cb 0.75 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.61 1thy n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1thy h ASP 83 N 4.34 -1.20 -0.43 -0.99 5.19 -1.76 -2.40 116.42 119.17 1thy h ASP 83 Ca 0.00 0.19 0.12 0.00 -0.62 0.00 0.00 57.03 56.73 1thy h ASP 83 Cb 0.95 0.54 -0.02 0.00 0.18 0.00 0.00 39.33 40.98 1thy h ASP 83 CO 0.00 -0.35 0.31 -0.33 -3.12 0.00 0.00 179.24 175.75 1thy h GLU 84 N -0.31 0.00 -0.09 3.56 5.08 -1.84 0.37 114.58 121.35 1thy h GLU 84 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 1thy h GLU 84 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1thy h GLU 84 CO -0.52 0.00 -0.77 -1.49 -1.00 0.00 0.00 179.01 175.22 1thy h TRP 85 N 0.00 0.72 -0.11 4.33 4.06 -1.78 -0.34 115.95 122.84 1thy h TRP 85 Ca 0.20 -0.33 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1thy h TRP 85 Cb 0.82 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1thy h TRP 85 CO 0.00 1.12 -0.04 0.00 -3.56 0.00 0.00 178.44 175.96 1thy h ALA 86 N 0.79 0.15 -0.54 1.49 0.00 -1.31 -3.16 119.26 116.69 1thy h ALA 86 Ca -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1thy h ALA 86 Cb 1.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1thy h ALA 86 CO 0.14 -0.09 0.32 0.35 0.00 0.00 0.00 179.25 179.97 1thy h PHE 87 N -0.12 0.59 -0.83 0.00 3.57 -0.87 -1.70 116.94 117.58 1thy h PHE 87 Ca 0.03 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.67 1thy h PHE 87 Cb 0.48 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1thy h PHE 87 CO 0.06 0.33 0.54 1.49 -2.23 0.00 0.00 178.31 178.50 1thy h GLU 88 N 0.62 0.63 -0.07 1.11 4.81 -1.10 -0.61 114.58 119.98 1thy h GLU 88 Ca 0.22 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.24 1thy h GLU 88 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1thy h GLU 88 CO -0.11 0.42 -0.72 -0.22 -0.73 0.00 0.00 179.01 177.65 1thy h LYS 89 N 0.65 0.35 -0.06 1.92 1.63 -1.29 -2.76 116.57 117.02 1thy h LYS 89 Ca 0.41 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1thy h LYS 89 Cb 0.66 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1thy h LYS 89 CO -0.17 0.93 0.02 2.35 -3.45 0.00 0.00 179.45 179.12 1thy h TRP 90 N 0.24 0.10 0.00 1.91 -0.00 -0.67 -3.13 115.95 114.40 1thy h TRP 90 Ca -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.84 1thy h TRP 90 Cb 1.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1thy h TRP 90 CO 0.04 0.28 -0.05 0.28 -0.00 0.00 0.00 178.44 178.99 1thy h VAL 91 N -0.11 0.14 -0.33 2.65 2.07 -1.35 -2.71 116.25 116.61 1thy h VAL 91 Ca 0.02 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1thy h VAL 91 Cb 0.23 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1thy h VAL 91 CO 0.00 0.05 0.00 2.29 0.02 0.00 0.00 177.57 179.93 1thy n LYS 92 N -3.18 1.85 -3.83 1.57 -0.00 -1.04 -4.94 118.16 108.59 1thy n LYS 92 Ca 0.00 -1.31 -0.19 0.00 -0.00 0.00 0.00 58.31 56.81 1thy n LYS 92 Cb 0.31 -1.32 -0.06 0.00 -0.00 0.00 0.00 35.03 33.96 1thy n LYS 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1thy n SER 93 N 0.55 0.92 -0.05 -5.58 3.41 -1.02 -5.09 113.62 106.76 1thy n SER 93 Ca 0.14 -2.67 0.06 0.00 -0.26 0.00 0.00 58.87 56.13 1thy n SER 93 Cb 0.33 0.86 0.42 0.00 -0.26 0.00 0.00 64.21 65.56 1thy n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1thy h ASP 94 N 1.29 0.49 1.05 4.04 5.19 -1.93 -2.19 116.42 124.36 1thy h ASP 94 Ca -0.24 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1thy h ASP 94 Cb 0.93 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1thy h ASP 94 CO 0.37 0.34 -0.34 1.21 -3.12 0.00 0.00 179.24 177.70 1thy n GLU 95 N -4.47 0.23 -2.05 3.56 2.13 -1.26 -4.66 120.64 114.11 1thy n GLU 95 Ca 0.06 0.11 -0.35 0.00 0.66 0.00 0.00 57.16 57.64 1thy n GLU 95 Cb 0.14 -1.69 -0.04 0.00 0.27 0.00 0.00 31.44 30.12 1thy n GLU 95 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1thy s TYR 96 N -3.11 1.71 -0.30 4.31 5.04 -0.83 -4.82 117.35 119.35 1thy s TYR 96 Ca 0.09 0.73 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 1thy s TYR 96 Cb 0.14 -4.08 0.05 0.00 0.35 0.00 0.00 41.96 38.41 1thy s TYR 96 CO 0.66 -2.16 0.02 -1.01 -1.34 0.00 0.00 175.55 171.72 1thy s HIS 97 N 9.30 3.25 -0.01 4.97 3.76 -1.26 -4.94 115.29 130.36 1thy s HIS 97 Ca 0.68 -1.76 -0.12 0.00 -0.15 0.00 0.00 55.06 53.71 1thy s HIS 97 Cb -0.11 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.48 1thy s HIS 97 CO 0.15 -0.78 0.52 0.41 -0.85 0.00 0.00 174.74 174.19 1thy n GLY 98 N 4.66 0.47 3.43 -2.22 0.00 -1.26 -5.17 105.19 105.11 1thy n GLY 98 Ca -0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1thy n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1thy s PRO 99 N -2.01 -1.59 0.06 1.61 0.02 -1.26 -4.93 135.00 126.90 1thy s PRO 99 Ca 0.12 0.56 -0.34 0.00 0.02 0.00 0.00 61.00 61.37 1thy s PRO 99 Cb -0.00 -1.50 -0.13 0.00 0.02 0.00 0.00 34.50 32.89 1thy s PRO 99 CO -0.00 -4.10 1.68 -0.40 -0.33 0.00 0.00 177.00 173.85 1thy n ASP 100 N -5.14 3.16 0.00 2.53 5.75 -1.26 -4.86 116.55 116.72 1thy n ASP 100 Ca 0.06 1.04 0.00 0.00 -0.01 0.00 0.00 54.79 55.88 1thy n ASP 100 Cb 0.56 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1thy n ASP 100 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1thy n MET 101 N 4.59 0.00 -2.84 0.11 1.56 -1.26 -5.00 117.12 114.28 1thy n MET 101 Ca 0.19 -0.18 -0.32 0.00 -0.27 0.00 0.00 57.70 57.12 1thy n MET 101 Cb 0.28 -0.36 -0.05 0.00 2.15 0.00 0.00 33.22 35.24 1thy n MET 101 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1thy s THR 102 N 0.00 4.60 0.00 1.12 2.01 -1.26 -2.91 115.64 119.19 1thy s THR 102 Ca 0.00 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1thy s THR 102 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1thy s THR 102 CO 0.00 -0.39 0.00 -0.67 -0.69 0.00 0.00 174.62 172.87 1thy n ASP 103 N -0.88 -4.12 -0.32 3.53 -0.08 -1.26 -4.93 116.55 108.48 1thy n ASP 103 Ca 0.05 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.48 1thy n ASP 103 Cb 0.54 -1.92 0.34 0.00 2.34 0.00 0.00 41.12 42.42 1thy n ASP 103 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1thy h PHE 104 N 0.00 0.71 -0.30 -0.67 -0.00 -1.93 -0.98 116.94 113.77 1thy h PHE 104 Ca 0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 57.97 57.84 1thy h PHE 104 Cb 0.45 -0.17 -0.00 0.00 -0.00 0.00 0.00 35.95 36.24 1thy h PHE 104 CO 0.29 -0.07 -0.50 0.78 -0.00 0.00 0.00 178.31 178.81 1thy h GLY 105 N 0.39 0.94 0.76 6.09 0.00 -1.92 0.42 103.07 109.77 1thy h GLY 105 Ca 0.60 -1.08 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1thy h GLY 105 CO -0.55 0.97 -0.14 0.84 0.00 0.00 0.00 176.54 177.66 1thy h HIS 106 N 0.64 0.45 -0.66 5.60 -0.00 -1.79 -3.22 115.15 116.18 1thy h HIS 106 Ca 0.02 -0.13 0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1thy h HIS 106 Cb 1.10 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 1thy h HIS 106 CO 0.07 0.74 0.40 0.00 -0.00 0.00 0.00 177.93 179.15 1thy h ARG 107 N 0.03 0.75 -1.03 5.26 3.08 -1.11 -1.32 114.38 120.04 1thy h ARG 107 Ca 0.03 -0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.30 1thy h ARG 107 Cb 0.65 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 1thy h ARG 107 CO 0.03 0.50 0.68 0.77 -1.07 0.00 0.00 179.97 180.88 1thy h SER 108 N 0.77 0.36 -0.19 7.04 0.02 -0.93 0.21 113.55 120.83 1thy h SER 108 Ca 0.27 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.34 1thy h SER 108 Cb 0.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1thy h SER 108 CO -0.12 0.08 -0.17 1.56 -1.14 0.00 0.00 176.83 177.05 1thy h GLN 109 N 0.33 -0.17 -1.29 3.45 4.20 -1.25 -2.01 115.11 118.37 1thy h GLN 109 Ca 0.56 0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.68 1thy h GLN 109 Cb 1.56 0.04 -0.40 0.00 0.30 0.00 0.00 27.48 28.98 1thy h GLN 109 CO -0.23 -0.11 -0.43 1.63 -0.67 0.00 0.00 178.83 179.02 1thy n LYS 110 N -5.32 3.36 -2.21 1.46 4.01 -0.64 -5.06 118.16 113.76 1thy n LYS 110 Ca -0.02 -4.19 -0.41 0.00 -0.51 0.00 0.00 58.31 53.18 1thy n LYS 110 Cb 0.23 -2.26 -0.03 0.00 -0.51 0.00 0.00 35.03 32.46 1thy n LYS 110 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1thy s ASP 111 N -3.14 6.90 0.00 4.39 -0.00 0.63 -5.00 116.67 120.45 1thy s ASP 111 Ca 0.51 2.52 0.00 0.00 -0.00 0.00 0.00 52.55 55.57 1thy s ASP 111 Cb 0.42 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.71 1thy s ASP 111 CO -0.13 -0.47 0.00 -0.81 -0.00 0.00 0.00 175.17 173.76 1thy n PRO 112 N 1.57 1.68 -0.42 8.23 -0.04 -1.26 -4.76 135.00 139.99 1thy n PRO 112 Ca 0.02 0.00 0.40 0.00 -0.04 0.00 0.00 63.50 63.88 1thy n PRO 112 Cb 0.43 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.65 1thy n PRO 112 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1thy h GLU 113 N 0.00 0.00 -0.70 0.54 -0.00 -2.01 -2.82 114.58 109.58 1thy h GLU 113 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 59.36 59.58 1thy h GLU 113 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 28.62 1thy h GLU 113 CO 0.00 0.00 0.10 0.34 -0.00 0.00 0.00 179.01 179.45 1thy n PHE 114 N -4.05 0.53 -0.23 2.06 7.35 -1.26 -0.95 117.46 120.91 1thy n PHE 114 Ca 0.30 0.84 0.01 0.00 -0.76 0.00 0.00 57.45 57.85 1thy n PHE 114 Cb 1.47 -1.08 0.13 0.00 0.35 0.00 0.00 39.48 40.35 1thy n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1thy h ALA 115 N 1.41 0.91 0.00 3.13 0.00 -1.80 0.35 119.26 123.26 1thy h ALA 115 Ca 0.47 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.39 1thy h ALA 115 Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1thy h ALA 115 CO -0.63 -0.13 -0.30 0.00 0.00 0.00 0.00 179.25 178.18 1thy h ALA 116 N 1.44 0.85 0.42 0.00 0.00 -1.32 -0.07 119.26 120.58 1thy h ALA 116 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1thy h ALA 116 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1thy h ALA 116 CO -0.30 0.38 -0.20 0.28 0.00 0.00 0.00 179.25 179.40 1thy h VAL 117 N 0.00 0.47 -0.38 0.00 2.07 -0.91 -0.59 116.25 116.92 1thy h VAL 117 Ca -0.00 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1thy h VAL 117 Cb 1.10 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1thy h VAL 117 CO 0.04 0.08 -0.20 0.22 0.02 0.00 0.00 177.57 177.73 1thy h TYR 118 N -0.91 -0.50 0.00 1.57 3.20 -0.42 0.15 116.97 120.05 1thy h TYR 118 Ca -0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1thy h TYR 118 Cb 0.56 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1thy h TYR 118 CO 0.02 -0.28 0.00 0.45 -1.64 0.00 0.00 178.16 176.71 1thy h HIS 119 N -0.14 0.00 0.01 -3.82 3.86 -0.89 0.81 115.15 114.98 1thy h HIS 119 Ca 0.19 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.08 1thy h HIS 119 Cb 0.42 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1thy h HIS 119 CO -0.43 0.00 -1.93 -1.91 0.86 0.00 0.00 177.93 174.52 1thy n GLU 120 N -3.04 0.66 -0.20 2.45 4.07 -0.24 -2.11 120.64 122.24 1thy n GLU 120 Ca 0.00 0.21 -0.05 0.00 -0.06 0.00 0.00 57.16 57.26 1thy n GLU 120 Cb 0.28 -1.71 0.05 0.00 -0.06 0.00 0.00 31.44 30.00 1thy n GLU 120 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1thy h GLU 121 N 0.00 0.66 -0.08 5.31 4.39 -0.43 -0.20 114.58 124.24 1thy h GLU 121 Ca -0.37 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 1thy h GLU 121 Cb 2.08 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 1thy h GLU 121 CO 0.06 0.44 0.04 1.98 -1.16 0.00 0.00 179.01 180.37 1thy h MET 122 N 0.68 0.11 0.00 2.33 4.05 -0.96 -0.71 114.93 120.43 1thy h MET 122 Ca 0.24 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1thy h MET 122 Cb 0.04 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1thy h MET 122 CO -0.11 0.17 -0.00 0.00 0.23 0.00 0.00 176.91 177.21 1thy h ALA 123 N 0.93 1.00 0.32 0.39 0.00 -0.93 -1.42 119.26 119.55 1thy h ALA 123 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1thy h ALA 123 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1thy h ALA 123 CO -0.00 0.00 -0.15 0.87 0.00 0.00 0.00 179.25 179.96 1thy h LYS 124 N 0.00 -0.41 -0.67 0.00 1.79 0.17 -2.74 116.57 114.70 1thy h LYS 124 Ca -0.00 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.64 1thy h LYS 124 Cb 0.16 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 30.78 1thy h LYS 124 CO 0.00 -0.28 -0.05 0.35 -1.08 0.00 0.00 179.45 178.39 1thy h PHE 125 N -0.99 -0.15 -0.74 -1.35 3.57 -0.87 -0.61 116.94 115.80 1thy h PHE 125 Ca -0.04 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1thy h PHE 125 Cb 0.33 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1thy h PHE 125 CO 0.01 -0.23 0.37 -0.44 -2.23 0.00 0.00 178.31 175.79 1thy h ASP 126 N 0.07 0.95 -0.23 0.41 5.19 -1.38 -0.42 116.42 121.01 1thy h ASP 126 Ca 0.35 -0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.58 1thy h ASP 126 Cb 0.57 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1thy h ASP 126 CO -0.62 0.80 -0.04 -0.78 -3.12 0.00 0.00 179.24 175.48 1thy h ASP 127 N 1.03 0.53 -0.35 6.45 3.58 -0.82 -1.64 116.42 125.20 1thy h ASP 127 Ca 0.25 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 1thy h ASP 127 Cb 0.09 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1thy h ASP 127 CO -0.03 0.63 -0.27 0.03 -2.88 0.00 0.00 179.24 176.71 1thy h ARG 128 N 0.53 0.79 -0.70 0.28 2.47 -0.96 -0.40 114.38 116.39 1thy h ARG 128 Ca 0.11 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 1thy h ARG 128 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1thy h ARG 128 CO 0.02 1.02 0.38 0.28 0.56 0.00 0.00 179.97 182.22 1thy h VAL 129 N 0.58 1.21 -0.63 2.04 2.07 -0.67 0.27 116.25 121.12 1thy h VAL 129 Ca 0.06 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1thy h VAL 129 Cb 0.84 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1thy h VAL 129 CO 0.07 0.24 0.11 -0.07 0.02 0.00 0.00 177.57 177.93 1thy h LEU 130 N 0.97 0.99 0.00 2.57 -0.00 -1.01 -3.39 115.31 115.44 1thy h LEU 130 Ca 0.25 -0.26 -0.20 0.00 -0.00 0.00 0.00 57.88 57.67 1thy h LEU 130 Cb 0.03 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.39 1thy h LEU 130 CO -0.04 0.99 -1.80 1.41 -0.00 0.00 0.00 178.44 179.00 1thy n HIS 131 N -4.28 0.00 -3.14 1.13 8.25 -0.19 -4.84 115.22 112.16 1thy n HIS 131 Ca 0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.04 1thy n HIS 131 Cb 0.28 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.78 1thy n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1thy s ASP 132 N -4.38 6.32 0.33 0.41 2.15 0.90 -4.93 116.67 117.46 1thy s ASP 132 Ca -0.06 -1.72 0.15 0.00 0.43 0.00 0.00 52.55 51.35 1thy s ASP 132 Cb 0.04 -2.29 1.12 0.00 -0.30 0.00 0.00 42.92 41.49 1thy s ASP 132 CO 0.50 -1.01 1.46 0.47 -0.17 0.00 0.00 175.17 176.43 1thy n ASP 133 N 5.91 0.22 0.15 -0.34 9.92 -1.26 -0.05 116.55 131.10 1thy n ASP 133 Ca -0.03 1.55 0.04 0.00 -0.53 0.00 0.00 54.79 55.82 1thy n ASP 133 Cb 0.44 -0.71 0.06 0.00 -0.64 0.00 0.00 41.12 40.27 1thy n ASP 133 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1thy h ALA 134 N 1.86 0.73 -0.01 2.24 0.00 -1.94 -1.32 119.26 120.82 1thy h ALA 134 Ca 0.73 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1thy h ALA 134 Cb 1.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1thy h ALA 134 CO -0.76 0.54 -0.04 0.35 0.00 0.00 0.00 179.25 179.35 1thy h PHE 135 N 0.00 0.05 -0.65 0.00 3.57 -0.79 -2.99 116.94 116.13 1thy h PHE 135 Ca -0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.58 1thy h PHE 135 Cb 1.31 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 1thy h PHE 135 CO 0.00 0.72 0.24 0.00 -2.23 0.00 0.00 178.31 177.04 1thy h ALA 136 N 0.32 0.86 0.00 2.41 0.00 -1.15 0.28 119.26 121.97 1thy h ALA 136 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1thy h ALA 136 Cb 0.73 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1thy h ALA 136 CO 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1thy h ALA 137 N 1.46 1.00 0.00 0.00 0.00 -1.22 -0.55 119.26 119.95 1thy h ALA 137 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 1thy h ALA 137 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1thy h ALA 137 CO -0.34 0.00 -1.76 1.17 0.00 0.00 0.00 179.25 178.32 1thy n LYS 138 N -3.04 0.32 0.00 0.00 4.81 0.28 -4.57 118.16 115.96 1thy n LYS 138 Ca -0.02 0.09 0.04 0.00 -0.87 0.00 0.00 58.31 57.55 1thy n LYS 138 Cb 0.15 -1.19 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 1thy n LYS 138 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1thy n TYR 139 N -3.10 0.00 1.00 5.64 4.01 0.71 -4.54 117.16 120.88 1thy n TYR 139 Ca -0.24 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1thy n TYR 139 Cb 0.73 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.91 1thy n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thy n GLY 140 N 0.90 -1.18 3.57 2.72 0.00 -0.22 -4.67 105.19 106.31 1thy n GLY 140 Ca 0.03 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1thy n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thy s ASP 141 N -3.00 6.09 0.29 1.61 -1.08 -1.18 -0.66 116.67 118.75 1thy s ASP 141 Ca 0.10 -0.10 0.18 0.00 -0.52 0.00 0.00 52.55 52.21 1thy s ASP 141 Cb 0.17 -2.15 0.12 0.00 -1.46 0.00 0.00 42.92 39.60 1thy s ASP 141 CO 0.74 -0.16 1.38 -0.07 0.52 0.00 0.00 175.17 177.58 1thy h LEU 142 N 8.49 0.00 0.00 -1.34 3.38 -1.21 -3.49 115.31 121.15 1thy h LEU 142 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1thy h LEU 142 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1thy h LEU 142 CO 0.61 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1thy n GLY 143 N 1.20 0.97 3.49 0.83 0.00 -1.26 -4.75 105.19 105.67 1thy n GLY 143 Ca 0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1thy n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1thy s LEU 144 N 0.00 4.40 0.21 0.99 1.02 -1.26 -4.68 118.68 119.36 1thy s LEU 144 Ca 0.00 -1.60 -0.02 0.00 0.02 0.00 0.00 54.13 52.53 1thy s LEU 144 Cb 0.00 -2.46 -0.04 0.00 0.02 0.00 0.00 46.19 43.71 1thy s LEU 144 CO 0.00 -1.30 0.16 -0.69 0.02 0.00 0.00 176.35 174.54 1thy s VAL 145 N 3.74 0.00 0.37 -1.59 1.01 -1.26 -4.99 120.40 117.67 1thy s VAL 145 Ca 0.35 -1.95 0.17 0.00 0.00 0.00 0.00 61.98 60.54 1thy s VAL 145 Cb -0.06 -2.48 0.36 0.00 0.00 0.00 0.00 36.38 34.21 1thy s VAL 145 CO -0.05 0.00 1.69 1.88 0.00 0.00 0.00 175.10 178.63 1thy h TYR 146 N 2.58 0.82 -0.66 5.22 0.05 -1.93 -0.32 116.97 122.73 1thy h TYR 146 Ca -0.35 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 1thy h TYR 146 Cb 1.25 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 1thy h TYR 146 CO 0.40 -0.08 0.35 0.78 -1.05 0.00 0.00 178.16 178.56 1thy h GLY 147 N 0.35 0.98 1.26 3.88 0.00 -1.78 0.62 103.07 108.39 1thy h GLY 147 Ca 0.70 -0.44 -0.30 0.00 0.00 0.00 0.00 47.33 47.29 1thy h GLY 147 CO -0.48 0.42 -1.51 1.48 0.00 0.00 0.00 176.54 176.45 1thy h SER 148 N 0.93 0.29 -0.77 0.19 4.64 -1.26 -0.29 113.55 117.29 1thy h SER 148 Ca 0.23 -0.42 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1thy h SER 148 Cb 0.04 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1thy h SER 148 CO -0.04 1.35 0.29 1.56 -0.87 0.00 0.00 176.83 179.13 1thy h GLN 149 N 0.05 1.16 -0.00 4.77 4.20 -0.77 0.25 115.11 124.77 1thy h GLN 149 Ca -0.23 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 1thy h GLN 149 Cb 1.99 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 29.59 1thy h GLN 149 CO 0.14 0.96 -0.43 -1.49 -0.67 0.00 0.00 178.83 177.34 1thy h TRP 150 N 1.12 0.43 -0.24 2.96 4.06 -1.00 -3.37 115.95 119.91 1thy h TRP 150 Ca 0.25 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1thy h TRP 150 Cb 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1thy h TRP 150 CO 0.02 1.05 0.00 0.54 -3.56 0.00 0.00 178.44 176.49 1thy n ARG 151 N -4.36 2.11 -2.70 0.49 1.74 -0.12 -1.81 116.66 112.01 1thy n ARG 151 Ca -0.10 -1.76 -0.07 0.00 -0.77 0.00 0.00 57.85 55.15 1thy n ARG 151 Cb 0.59 -1.25 0.09 0.00 -1.02 0.00 0.00 32.46 30.87 1thy n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1thy n ALA 152 N 0.56 -0.48 -1.85 7.54 0.00 0.83 -3.94 120.51 123.16 1thy n ALA 152 Ca 0.10 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 1thy n ALA 152 Cb 0.38 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1thy n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1thy s TRP 153 N 0.17 1.72 -0.14 0.00 -0.11 0.17 -4.61 118.94 116.15 1thy s TRP 153 Ca 0.19 -0.08 -0.29 0.00 1.22 0.00 0.00 56.10 57.13 1thy s TRP 153 Cb 0.30 -4.07 -0.01 0.00 -1.50 0.00 0.00 33.47 28.19 1thy s TRP 153 CO -0.08 -4.61 1.14 -1.01 -4.62 0.00 0.00 176.95 167.78 1thy s HIS 154 N 4.08 3.19 0.74 5.86 3.76 -1.26 0.33 115.29 131.99 1thy s HIS 154 Ca 0.80 1.29 -0.05 0.00 -0.15 0.00 0.00 55.06 56.95 1thy s HIS 154 Cb -0.38 -3.36 0.11 0.00 1.11 0.00 0.00 32.58 30.06 1thy s HIS 154 CO 0.35 -1.01 1.04 0.95 -0.85 0.00 0.00 174.74 175.21 1thy s THR 155 N 2.75 2.22 0.42 1.30 -4.23 -0.31 -4.94 115.64 112.85 1thy s THR 155 Ca 0.51 -0.39 0.27 0.00 -1.18 0.00 0.00 61.69 60.90 1thy s THR 155 Cb -0.20 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.10 1thy s THR 155 CO 0.15 0.00 2.08 0.77 -0.54 0.00 0.00 174.62 177.08 1thy h SER 156 N -0.69 0.00 -0.41 3.99 4.64 -1.97 -2.10 113.55 117.02 1thy h SER 156 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1thy h SER 156 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1thy h SER 156 CO 0.47 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 1thy n LYS 157 N -3.67 3.65 -1.23 4.77 4.76 -1.26 -4.90 118.16 120.28 1thy n LYS 157 Ca -0.02 -2.18 -0.08 0.00 -2.87 0.00 0.00 58.31 53.16 1thy n LYS 157 Cb 0.23 -2.01 -0.03 0.00 -1.84 0.00 0.00 35.03 31.38 1thy n LYS 157 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thy n GLY 158 N 0.48 0.94 0.00 0.72 0.00 -0.79 -5.03 105.19 101.50 1thy n GLY 158 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1thy n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1thy n ASP 159 N -0.07 0.60 -3.82 1.61 2.03 -1.26 -4.85 116.55 110.79 1thy n ASP 159 Ca -0.08 -0.59 -0.14 0.00 0.52 0.00 0.00 54.79 54.50 1thy n ASP 159 Cb 0.34 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.59 1thy n ASP 159 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1thy s THR 160 N 0.93 -0.01 -0.12 5.18 2.01 -1.26 -1.16 115.64 121.22 1thy s THR 160 Ca 0.00 0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1thy s THR 160 Cb 0.00 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 1thy s THR 160 CO 0.00 0.06 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.25 1thy s ILE 161 N 0.60 3.30 -1.15 1.82 1.01 0.15 -4.84 121.20 122.09 1thy s ILE 161 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1thy s ILE 161 Cb -0.07 -2.38 0.25 0.00 0.01 0.00 0.00 42.46 40.27 1thy s ILE 161 CO -0.02 0.53 1.39 -0.67 0.00 0.00 0.00 174.94 176.18 1thy n ASP 162 N 3.26 5.69 -0.19 3.58 2.03 -1.25 -0.65 116.55 129.02 1thy n ASP 162 Ca -0.18 -3.15 -0.07 0.00 0.52 0.00 0.00 54.79 51.91 1thy n ASP 162 Cb 0.53 -1.39 -0.01 0.00 -0.72 0.00 0.00 41.12 39.52 1thy n ASP 162 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1thy h GLN 163 N 6.24 -0.20 -0.44 -0.67 4.20 -1.70 -0.21 115.11 122.34 1thy h GLN 163 Ca 0.24 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1thy h GLN 163 Cb 0.76 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1thy h GLN 163 CO 1.24 -0.13 0.15 1.25 -0.67 0.00 0.00 178.83 180.66 1thy h LEU 164 N -0.20 0.57 -0.46 1.46 6.46 -1.69 -1.53 115.31 119.92 1thy h LEU 164 Ca 0.20 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1thy h LEU 164 Cb 0.56 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1thy h LEU 164 CO -0.66 0.54 0.16 1.23 -0.62 0.00 0.00 178.44 179.10 1thy h GLY 165 N 0.80 0.76 1.07 3.75 0.00 -1.36 -2.04 103.07 106.05 1thy h GLY 165 Ca 0.15 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1thy h GLY 165 CO -0.01 0.40 -0.15 -0.55 0.00 0.00 0.00 176.54 176.23 1thy h ASP 166 N 0.61 0.96 0.01 0.19 3.32 -0.48 -1.91 116.42 119.12 1thy h ASP 166 Ca 0.15 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1thy h ASP 166 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1thy h ASP 166 CO -0.01 1.12 -0.13 0.58 -1.72 0.00 0.00 179.24 179.07 1thy h VAL 167 N 0.80 1.19 -0.26 -1.35 2.07 -1.13 0.10 116.25 117.67 1thy h VAL 167 Ca 0.12 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 1thy h VAL 167 Cb 0.72 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1thy h VAL 167 CO 0.05 0.26 -0.32 0.40 0.02 0.00 0.00 177.57 177.98 1thy h ILE 168 N 0.25 1.28 -0.18 4.57 2.04 -0.64 0.14 117.51 124.97 1thy h ILE 168 Ca 0.05 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1thy h ILE 168 Cb 0.39 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1thy h ILE 168 CO 0.02 0.45 -0.39 -0.08 0.00 0.00 0.00 178.15 178.15 1thy h GLU 169 N 0.46 0.40 -0.36 2.37 4.57 -0.51 -1.86 114.58 119.65 1thy h GLU 169 Ca 0.05 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.92 1thy h GLU 169 Cb 0.79 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1thy h GLU 169 CO 0.06 0.73 -0.29 1.96 -1.18 0.00 0.00 179.01 180.29 1thy h GLN 170 N 0.33 0.76 -0.68 1.92 4.20 -0.22 -1.07 115.11 120.35 1thy h GLN 170 Ca 0.03 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 1thy h GLN 170 Cb 0.84 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1thy h GLN 170 CO 0.07 0.96 0.17 0.82 -0.67 0.00 0.00 178.83 180.18 1thy h ILE 171 N 0.65 1.26 -0.48 2.54 2.04 -0.36 0.18 117.51 123.33 1thy h ILE 171 Ca 0.08 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 1thy h ILE 171 Cb 0.82 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1thy h ILE 171 CO 0.07 0.36 0.06 0.11 0.00 0.00 0.00 178.15 178.75 1thy h LYS 172 N 1.03 0.81 0.00 2.37 1.57 -0.92 -3.11 116.57 118.32 1thy h LYS 172 Ca 0.22 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1thy h LYS 172 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1thy h LYS 172 CO -0.00 0.83 -1.76 0.25 -0.57 0.00 0.00 179.45 178.20 1thy n THR 173 N -4.41 0.74 -3.14 -0.16 -2.24 -0.44 -4.70 114.28 99.92 1thy n THR 173 Ca 0.01 -0.64 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1thy n THR 173 Cb 0.27 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 1thy n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1thy n HIS 174 N -2.61 -0.52 -0.18 4.78 8.25 0.62 -5.00 115.22 120.56 1thy n HIS 174 Ca -0.11 -3.45 0.17 0.00 -0.26 0.00 0.00 57.72 54.07 1thy n HIS 174 Cb 0.77 -0.15 0.53 0.00 1.12 0.00 0.00 29.99 32.26 1thy n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1thy h PRO 175 N 3.64 0.36 -0.40 -0.41 0.13 -1.63 -2.22 132.00 131.47 1thy h PRO 175 Ca 0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1thy h PRO 175 Cb 0.93 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1thy h PRO 175 CO 0.45 0.24 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 1thy n TYR 176 N -4.47 0.34 -1.61 1.56 4.01 -1.26 -3.51 117.16 112.22 1thy n TYR 176 Ca 0.16 -0.15 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 1thy n TYR 176 Cb 0.61 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.65 1thy n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1thy s SER 177 N -0.76 4.59 -0.16 7.72 0.15 -0.83 -4.92 113.70 119.49 1thy s SER 177 Ca 0.13 2.26 0.17 0.00 0.70 0.00 0.00 55.95 59.21 1thy s SER 177 Cb 0.08 -2.58 0.44 0.00 -1.71 0.00 0.00 66.02 62.25 1thy s SER 177 CO 0.07 -1.99 1.33 0.54 1.20 0.00 0.00 173.24 174.39 1thy n ARG 178 N -2.47 2.40 -0.26 5.44 1.74 -1.26 -4.50 116.66 117.74 1thy n ARG 178 Ca 0.13 -2.72 0.08 0.00 -0.77 0.00 0.00 57.85 54.56 1thy n ARG 178 Cb 0.51 -1.71 0.14 0.00 -1.02 0.00 0.00 32.46 30.37 1thy n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1thy n ARG 179 N -0.78 1.17 -1.90 5.56 1.74 -1.26 -4.87 116.66 116.31 1thy n ARG 179 Ca 0.19 -2.54 -0.41 0.00 -0.77 0.00 0.00 57.85 54.32 1thy n ARG 179 Cb 0.79 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 1thy n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1thy n LEU 180 N -1.17 7.53 -4.56 0.55 4.32 -1.26 -4.93 117.00 117.48 1thy n LEU 180 Ca 0.15 -4.55 -0.31 0.00 -0.02 0.00 0.00 56.01 51.27 1thy n LEU 180 Cb 0.67 -1.50 -0.11 0.00 -1.62 0.00 0.00 43.42 40.87 1thy n LEU 180 CO -0.00 1.66 -0.42 -0.63 -1.22 0.00 0.00 177.39 176.77 1thy s ILE 181 N 0.90 3.33 0.02 -0.08 1.01 -1.26 -0.96 121.20 124.16 1thy s ILE 181 Ca 0.51 -1.10 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1thy s ILE 181 Cb 0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1thy s ILE 181 CO -0.06 0.25 -0.20 -0.69 0.00 0.00 0.00 174.94 174.25 1thy s VAL 182 N -1.09 1.56 -0.00 2.92 1.01 -0.59 -4.95 120.40 119.26 1thy s VAL 182 Ca 0.19 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1thy s VAL 182 Cb -0.11 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 1thy s VAL 182 CO 0.10 0.26 -0.06 -0.55 0.00 0.00 0.00 175.10 174.84 1thy s SER 183 N -0.94 0.75 0.00 3.32 0.15 -1.26 -2.34 113.70 113.38 1thy s SER 183 Ca 0.07 -0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.75 1thy s SER 183 Cb -0.08 -0.08 0.10 0.00 -1.71 0.00 0.00 66.02 64.25 1thy s SER 183 CO 0.01 0.08 0.96 0.00 1.20 0.00 0.00 173.24 175.49 1thy n ALA 184 N 2.92 2.57 -2.59 5.45 0.00 -0.20 -4.66 120.51 124.00 1thy n ALA 184 Ca -0.13 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 1thy n ALA 184 Cb 0.58 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 1thy n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1thy s TRP 185 N -1.37 3.22 -0.25 0.00 -0.11 -1.22 -4.73 118.94 114.49 1thy s TRP 185 Ca 0.17 0.40 0.02 0.00 1.22 0.00 0.00 56.10 57.91 1thy s TRP 185 Cb 0.13 -2.78 0.05 0.00 -1.50 0.00 0.00 33.47 29.36 1thy s TRP 185 CO 0.22 -0.38 -0.12 1.21 -4.62 0.00 0.00 176.95 173.26 1thy s ASN 186 N 1.66 4.20 0.39 5.86 3.84 -1.26 -4.99 114.94 124.63 1thy s ASN 186 Ca 0.19 -1.21 0.21 0.00 0.21 0.00 0.00 52.86 52.25 1thy s ASN 186 Cb -0.16 -1.55 1.21 0.00 -0.55 0.00 0.00 41.25 40.21 1thy s ASN 186 CO 0.11 -0.15 1.67 -0.65 -2.79 0.00 0.00 177.10 175.29 1thy h PRO 187 N 7.83 0.25 -0.55 0.43 0.11 -2.00 -1.89 132.00 136.17 1thy h PRO 187 Ca -0.25 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1thy h PRO 187 Cb 1.06 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1thy h PRO 187 CO 0.51 0.16 0.02 1.49 -0.21 0.00 0.00 178.00 179.97 1thy h GLU 188 N 0.25 0.96 0.00 1.05 4.81 -2.03 -3.35 114.58 116.28 1thy h GLU 188 Ca 0.73 -0.30 -0.34 0.00 -0.13 0.00 0.00 59.36 59.33 1thy h GLU 188 Cb 1.95 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 31.18 1thy h GLU 188 CO -0.48 0.96 -2.08 -0.25 -0.73 0.00 0.00 179.01 176.44 1thy n ASP 189 N -4.27 0.55 0.22 1.04 8.00 -0.76 -4.31 116.55 117.01 1thy n ASP 189 Ca 0.02 0.19 0.15 0.00 0.71 0.00 0.00 54.79 55.86 1thy n ASP 189 Cb 0.32 0.40 0.71 0.00 -0.02 0.00 0.00 41.12 42.53 1thy n ASP 189 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1thy h VAL 190 N 0.00 0.00 -0.71 2.53 -1.51 -1.57 -2.14 116.25 112.85 1thy h VAL 190 Ca -0.43 -0.20 0.17 0.00 -1.23 0.00 0.00 66.70 65.01 1thy h VAL 190 Cb 2.12 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 32.23 1thy h VAL 190 CO 0.05 0.00 0.49 -0.65 -1.23 0.00 0.00 177.57 176.23 1thy h PRO 191 N 0.00 0.21 -0.71 5.19 0.11 -1.75 -3.21 132.00 131.83 1thy h PRO 191 Ca 0.00 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.76 1thy h PRO 191 Cb 0.24 -0.05 -0.41 0.00 0.11 0.00 0.00 31.00 30.90 1thy h PRO 191 CO 0.00 0.14 -1.08 0.25 -0.21 0.00 0.00 178.00 177.10 1thy n THR 192 N -4.42 1.43 -4.00 -1.15 -2.24 -0.82 -5.05 114.28 98.04 1thy n THR 192 Ca 0.14 -3.26 -0.30 0.00 -2.27 0.00 0.00 64.05 58.35 1thy n THR 192 Cb 0.64 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 1thy n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1thy s MET 193 N -3.57 3.11 0.03 -0.78 -1.94 -1.17 -5.02 119.30 109.97 1thy s MET 193 Ca 0.32 -0.61 -0.22 0.00 -1.71 0.00 0.00 55.69 53.47 1thy s MET 193 Cb 0.38 -2.85 -0.12 0.00 2.01 0.00 0.00 34.83 34.25 1thy s MET 193 CO -0.02 0.57 1.29 0.00 -0.01 0.00 0.00 175.02 176.85 1thy h ALA 194 N 3.11 -1.17 -3.55 3.03 0.00 -1.93 -3.42 119.26 115.33 1thy h ALA 194 Ca -0.46 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 1thy h ALA 194 Cb 1.17 0.31 -0.38 0.00 0.00 0.00 0.00 17.79 18.88 1thy h ALA 194 CO 0.70 -1.11 -0.78 -1.17 0.00 0.00 0.00 179.25 176.88 1thy s LEU 195 N -7.58 2.28 0.65 0.00 2.96 -1.26 -5.13 118.68 110.61 1thy s LEU 195 Ca -0.12 -1.08 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 1thy s LEU 195 Cb 0.01 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.63 1thy s LEU 195 CO 0.35 -0.24 1.17 -2.84 -1.32 0.00 0.00 176.35 173.46 1thy s PRO 196 N 1.48 2.69 0.22 0.98 0.02 -1.26 -4.90 135.00 134.23 1thy s PRO 196 Ca -0.05 1.63 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 1thy s PRO 196 Cb -0.18 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.31 1thy s PRO 196 CO -0.07 -1.38 1.62 -2.14 -0.33 0.00 0.00 177.00 174.70 1thy s PRO 197 N -3.77 4.17 0.12 5.54 0.02 -1.26 -4.88 135.00 134.93 1thy s PRO 197 Ca 0.72 2.49 -0.08 0.00 0.02 0.00 0.00 61.00 64.15 1thy s PRO 197 Cb -0.26 -3.09 -0.12 0.00 0.02 0.00 0.00 34.50 31.05 1thy s PRO 197 CO 0.39 -0.65 1.29 0.00 -0.33 0.00 0.00 177.00 177.71 1thy s HIS 199 N -3.45 3.83 0.32 0.00 3.76 -1.26 -1.44 115.29 117.05 1thy s HIS 199 Ca -0.08 -2.31 0.04 0.00 -0.15 0.00 0.00 55.06 52.56 1thy s HIS 199 Cb 0.08 -4.07 0.55 0.00 1.11 0.00 0.00 32.58 30.26 1thy s HIS 199 CO 0.89 -1.18 1.81 1.15 -0.85 0.00 0.00 174.74 176.57 1thy h THR 200 N 4.32 1.23 -1.60 1.30 2.02 -1.48 -3.42 112.91 115.28 1thy h THR 200 Ca 0.23 -1.00 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1thy h THR 200 Cb 0.90 1.16 -0.22 0.00 -1.74 0.00 0.00 68.15 68.25 1thy h THR 200 CO 1.09 0.32 0.55 -0.22 0.37 0.00 0.00 175.52 177.63 1thy s LEU 201 N -8.84 -0.37 -0.01 2.58 0.20 -1.23 -1.03 118.68 109.99 1thy s LEU 201 Ca -0.07 0.38 -0.13 0.00 0.69 0.00 0.00 54.13 55.00 1thy s LEU 201 Cb 0.15 1.87 0.02 0.00 -0.43 0.00 0.00 46.19 47.79 1thy s LEU 201 CO 0.77 -0.36 0.27 -0.72 -0.29 0.00 0.00 176.35 176.02 1thy s TYR 202 N -1.24 -0.12 -0.04 5.38 1.13 -0.99 -0.49 117.35 120.98 1thy s TYR 202 Ca -0.01 0.16 0.04 0.00 -1.41 0.00 0.00 57.07 55.84 1thy s TYR 202 Cb -0.00 0.06 -0.00 0.00 -1.10 0.00 0.00 41.96 40.91 1thy s TYR 202 CO 0.01 -0.37 -0.15 -1.14 -2.51 0.00 0.00 175.55 171.40 1thy s GLN 203 N -1.36 1.54 0.27 -3.49 0.74 0.07 -1.54 119.66 115.89 1thy s GLN 203 Ca -0.14 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1thy s GLN 203 Cb -0.06 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.66 1thy s GLN 203 CO 0.04 0.19 0.44 -0.06 -0.55 0.00 0.00 175.29 175.35 1thy s PHE 204 N 0.12 3.48 -0.21 1.67 0.08 -0.14 -0.79 117.98 122.19 1thy s PHE 204 Ca -0.04 0.24 -0.13 0.00 0.12 0.00 0.00 56.93 57.12 1thy s PHE 204 Cb -0.11 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1thy s PHE 204 CO 0.02 0.30 0.53 -0.47 -0.10 0.00 0.00 175.22 175.49 1thy s TYR 205 N -2.07 -0.75 -0.12 0.36 5.04 -0.69 -4.58 117.35 114.55 1thy s TYR 205 Ca 0.38 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.62 1thy s TYR 205 Cb -0.10 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 1thy s TYR 205 CO 0.32 -0.39 -0.19 0.08 -1.34 0.00 0.00 175.55 174.03 1thy s VAL 206 N 1.24 2.51 -0.22 3.14 1.01 -1.23 -0.75 120.40 126.10 1thy s VAL 206 Ca -0.08 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1thy s VAL 206 Cb -0.06 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1thy s VAL 206 CO -0.12 0.54 0.58 0.21 0.00 0.00 0.00 175.10 176.31 1thy s ASN 207 N 0.39 -0.61 -1.55 3.32 3.84 -0.59 -4.61 114.94 115.13 1thy s ASN 207 Ca -0.14 1.17 -0.16 0.00 0.21 0.00 0.00 52.86 53.93 1thy s ASN 207 Cb -0.17 1.18 0.13 0.00 -0.55 0.00 0.00 41.25 41.85 1thy s ASN 207 CO 0.07 -0.21 0.70 0.47 -2.79 0.00 0.00 177.10 175.33 1thy n ASP 208 N 2.73 -3.38 0.00 -4.21 8.00 -1.26 -0.46 116.55 117.98 1thy n ASP 208 Ca -0.14 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1thy n ASP 208 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 1thy n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thy n GLY 209 N -1.30 0.82 3.73 0.44 0.00 -1.26 -5.01 105.19 102.60 1thy n GLY 209 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1thy n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thy s LYS 210 N -0.16 2.87 -0.16 1.61 1.02 0.40 -1.58 119.74 123.73 1thy s LYS 210 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1thy s LYS 210 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1thy s LYS 210 CO 0.00 0.61 0.05 -1.17 -0.92 0.00 0.00 175.35 173.92 1thy s LEU 211 N -1.87 3.76 0.27 3.17 2.96 0.16 -1.54 118.68 125.59 1thy s LEU 211 Ca 0.23 0.09 0.10 0.00 -0.22 0.00 0.00 54.13 54.34 1thy s LEU 211 Cb -0.12 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1thy s LEU 211 CO 0.15 0.21 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.78 1thy s SER 212 N 0.12 3.30 -0.06 3.68 0.01 0.07 -1.21 113.70 119.61 1thy s SER 212 Ca 0.04 -1.05 -0.04 0.00 1.31 0.00 0.00 55.95 56.21 1thy s SER 212 Cb -0.12 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1thy s SER 212 CO 0.01 -0.06 0.14 -0.22 0.41 0.00 0.00 173.24 173.53 1thy s LEU 213 N -3.47 1.05 -0.11 2.44 0.20 -0.91 -1.70 118.68 116.18 1thy s LEU 213 Ca 0.28 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.41 1thy s LEU 213 Cb -0.03 0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 46.14 1thy s LEU 213 CO 0.13 -0.10 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.36 1thy s GLN 214 N 0.69 3.15 -0.09 1.98 0.74 0.03 -1.50 119.66 124.65 1thy s GLN 214 Ca -0.05 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.67 1thy s GLN 214 Cb -0.07 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 1thy s GLN 214 CO -0.03 0.30 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.70 1thy s LEU 215 N 0.10 2.71 -0.37 3.68 0.20 -0.06 -0.75 118.68 124.20 1thy s LEU 215 Ca -0.07 -0.27 -0.11 0.00 0.69 0.00 0.00 54.13 54.37 1thy s LEU 215 Cb -0.15 -1.58 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 1thy s LEU 215 CO 0.05 0.25 0.20 -0.47 -0.29 0.00 0.00 176.35 176.09 1thy s TYR 216 N -0.14 3.24 -0.35 5.38 6.14 0.36 -0.39 117.35 131.59 1thy s TYR 216 Ca -0.01 -0.95 -0.07 0.00 0.64 0.00 0.00 57.07 56.68 1thy s TYR 216 Cb -0.14 -2.43 0.04 0.00 0.42 0.00 0.00 41.96 39.86 1thy s TYR 216 CO 0.03 -0.64 0.13 -1.14 0.64 0.00 0.00 175.55 174.58 1thy s GLN 217 N 1.55 2.61 0.33 4.97 0.74 -0.16 -1.64 119.66 128.06 1thy s GLN 217 Ca 0.02 -1.22 0.01 0.00 0.05 0.00 0.00 55.36 54.22 1thy s GLN 217 Cb -0.19 -3.51 0.57 0.00 1.10 0.00 0.00 33.01 30.97 1thy s GLN 217 CO 0.07 -0.71 1.97 0.07 -0.55 0.00 0.00 175.29 176.13 1thy h ARG 218 N 8.25 0.94 -3.54 1.67 0.11 -1.54 -0.49 114.38 119.77 1thy h ARG 218 Ca -0.23 -0.06 -0.22 0.00 0.10 0.00 0.00 59.98 59.58 1thy h ARG 218 Cb 1.08 -0.21 -0.28 0.00 1.11 0.00 0.00 29.97 31.67 1thy h ARG 218 CO 0.62 0.62 -0.64 0.45 0.10 0.00 0.00 179.97 181.13 1thy s SER 219 N -6.28 -0.07 -0.05 0.08 0.15 -1.26 -0.01 113.70 106.27 1thy s SER 219 Ca -0.11 0.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.64 1thy s SER 219 Cb 0.18 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1thy s SER 219 CO 0.78 -0.04 0.14 0.00 1.20 0.00 0.00 173.24 175.33 1thy s ALA 220 N 0.17 -0.35 -0.52 5.45 0.00 -0.23 -4.88 121.76 121.40 1thy s ALA 220 Ca -0.01 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1thy s ALA 220 Cb -0.02 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1thy s ALA 220 CO -0.00 -0.08 0.57 0.34 0.00 0.00 0.00 175.76 176.59 1thy s ASP 221 N -0.06 6.19 0.21 0.00 -1.08 -1.26 -0.87 116.67 119.79 1thy s ASP 221 Ca -0.01 -1.26 -0.12 0.00 -0.52 0.00 0.00 52.55 50.64 1thy s ASP 221 Cb -0.02 -2.26 0.27 0.00 -1.46 0.00 0.00 42.92 39.45 1thy s ASP 221 CO 0.00 -0.88 1.66 0.40 0.52 0.00 0.00 175.17 176.87 1thy h ILE 222 N 5.86 0.50 0.25 4.11 1.08 -1.38 -1.04 117.51 126.89 1thy h ILE 222 Ca -0.29 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1thy h ILE 222 Cb 1.10 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1thy h ILE 222 CO 0.99 0.02 -0.12 0.15 -0.69 0.00 0.00 178.15 178.50 1thy h PHE 223 N 0.10 -0.31 0.16 1.37 3.57 -1.93 -3.31 116.94 116.58 1thy h PHE 223 Ca 0.31 -0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.47 1thy h PHE 223 Cb 0.49 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1thy h PHE 223 CO -0.37 -0.03 -1.65 -0.07 -2.23 0.00 0.00 178.31 173.96 1thy h LEU 224 N -1.01 0.53 0.04 0.59 3.38 -1.96 -3.42 115.31 113.46 1thy h LEU 224 Ca -0.03 -0.76 -0.37 0.00 0.09 0.00 0.00 57.88 56.80 1thy h LEU 224 Cb 0.43 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1thy h LEU 224 CO 0.06 1.64 -2.17 0.61 0.09 0.00 0.00 178.44 178.66 1thy n GLY 225 N 1.77 -0.50 0.31 0.83 0.00 -0.54 -4.37 105.19 102.69 1thy n GLY 225 Ca -0.21 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1thy n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1thy h VAL 226 N -0.29 1.00 -0.78 1.61 2.07 -1.32 -1.79 116.25 116.74 1thy h VAL 226 Ca -0.52 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1thy h VAL 226 Cb 1.81 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1thy h VAL 226 CO -0.11 0.06 0.52 -0.65 0.02 0.00 0.00 177.57 177.41 1thy h PRO 227 N 0.35 0.95 0.22 1.57 0.11 -1.78 -1.27 132.00 132.17 1thy h PRO 227 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1thy h PRO 227 Cb 0.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1thy h PRO 227 CO -0.04 0.63 -0.11 0.74 -0.21 0.00 0.00 178.00 179.02 1thy h PHE 228 N 0.98 -0.28 -0.86 0.65 -1.00 -1.60 -3.20 116.94 111.63 1thy h PHE 228 Ca 0.31 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.27 1thy h PHE 228 Cb 0.02 0.09 -0.11 0.00 3.61 0.00 0.00 35.95 39.56 1thy h PHE 228 CO -0.00 0.10 0.38 -0.91 -1.61 0.00 0.00 178.31 176.27 1thy h ASN 229 N -0.76 0.34 -0.66 2.17 2.35 -0.85 0.17 115.58 118.33 1thy h ASN 229 Ca -0.03 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1thy h ASN 229 Cb 0.50 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1thy h ASN 229 CO 0.05 0.05 0.27 0.40 -1.65 0.00 0.00 177.43 176.56 1thy h ILE 230 N 0.44 1.24 -0.04 2.81 2.04 -1.34 -2.79 117.51 119.88 1thy h ILE 230 Ca 0.51 -0.73 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 1thy h ILE 230 Cb 0.90 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1thy h ILE 230 CO -0.48 0.29 -0.77 0.00 0.00 0.00 0.00 178.15 177.19 1thy h ALA 231 N 1.12 0.60 -0.24 1.87 0.00 -1.04 -0.25 119.26 121.31 1thy h ALA 231 Ca 0.22 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1thy h ALA 231 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1thy h ALA 231 CO -0.02 0.81 -0.05 0.77 0.00 0.00 0.00 179.25 180.75 1thy h SER 232 N 0.20 0.47 1.46 0.00 0.02 -0.54 -2.04 113.55 113.12 1thy h SER 232 Ca -0.03 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 1thy h SER 232 Cb 1.35 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1thy h SER 232 CO 0.13 0.72 -0.54 1.88 -1.14 0.00 0.00 176.83 177.88 1thy h TYR 233 N 0.21 0.00 -0.63 3.45 0.05 -1.48 -1.74 116.97 116.83 1thy h TYR 233 Ca 0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 1thy h TYR 233 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1thy h TYR 233 CO 0.05 0.54 0.04 0.00 -1.05 0.00 0.00 178.16 177.73 1thy h ALA 234 N 1.46 0.87 -0.20 3.88 0.00 -1.01 -2.16 119.26 122.10 1thy h ALA 234 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1thy h ALA 234 Cb 1.41 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1thy h ALA 234 CO 0.07 0.67 -0.06 1.25 0.00 0.00 0.00 179.25 181.18 1thy h LEU 235 N 1.00 -0.22 -0.93 0.00 5.85 -1.00 -2.21 115.31 117.79 1thy h LEU 235 Ca 0.18 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.06 1thy h LEU 235 Cb 0.52 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1thy h LEU 235 CO 0.02 -0.08 0.58 0.25 -0.34 0.00 0.00 178.44 178.87 1thy h LEU 236 N -0.02 0.87 -0.53 2.25 6.46 -1.18 -0.74 115.31 122.41 1thy h LEU 236 Ca 0.10 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.80 1thy h LEU 236 Cb 0.17 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1thy h LEU 236 CO -0.22 0.50 -0.05 0.74 -0.62 0.00 0.00 178.44 178.79 1thy h THR 237 N 0.97 1.27 -0.24 1.05 2.02 -0.86 -0.06 112.91 117.06 1thy h THR 237 Ca 0.44 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1thy h THR 237 Cb 0.34 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1thy h THR 237 CO -0.23 0.42 0.11 0.45 0.37 0.00 0.00 175.52 176.65 1thy h HIS 238 N 0.85 0.35 0.21 3.16 3.86 -0.79 -2.28 115.15 120.51 1thy h HIS 238 Ca 0.14 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1thy h HIS 238 Cb 0.61 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1thy h HIS 238 CO 0.04 0.34 -0.10 -0.07 0.86 0.00 0.00 177.93 179.00 1thy h LEU 239 N 0.25 -0.24 -1.38 2.43 4.07 -0.87 -0.85 115.31 118.72 1thy h LEU 239 Ca 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1thy h LEU 239 Cb 0.12 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1thy h LEU 239 CO -0.01 -0.15 -0.06 0.58 -1.08 0.00 0.00 178.44 177.73 1thy h VAL 240 N -0.31 1.17 -0.38 1.22 2.07 -1.07 -2.34 116.25 116.62 1thy h VAL 240 Ca -0.03 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 1thy h VAL 240 Cb 0.24 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1thy h VAL 240 CO 0.05 0.23 -0.26 0.00 0.02 0.00 0.00 177.57 177.61 1thy h ALA 241 N 1.62 0.55 0.11 1.67 0.00 -0.98 -1.74 119.26 120.49 1thy h ALA 241 Ca 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1thy h ALA 241 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1thy h ALA 241 CO 0.01 0.55 -0.15 1.25 0.00 0.00 0.00 179.25 180.92 1thy h HIS 242 N 0.65 -0.39 0.00 0.00 6.17 -0.99 0.19 115.15 120.79 1thy h HIS 242 Ca 0.08 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 1thy h HIS 242 Cb 0.83 0.16 -0.00 0.00 2.52 0.00 0.00 27.41 30.92 1thy h HIS 242 CO 0.06 -0.23 -0.01 1.49 0.71 0.00 0.00 177.93 179.96 1thy h GLU 243 N -0.31 0.00 -0.05 5.26 4.57 -1.25 -2.24 114.58 120.57 1thy h GLU 243 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1thy h GLU 243 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1thy h GLU 243 CO -0.07 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.77 1thy n GLY 245 N 0.76 0.03 3.40 0.00 0.00 0.45 -4.97 105.19 104.86 1thy n GLY 245 Ca 0.08 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1thy n GLY 245 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1thy s LEU 246 N -4.57 2.56 0.22 0.99 2.96 0.11 -5.04 118.68 115.92 1thy s LEU 246 Ca 0.16 -1.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1thy s LEU 246 Cb -0.07 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1thy s LEU 246 CO 0.42 -0.13 0.39 -1.61 -1.32 0.00 0.00 176.35 174.10 1thy s GLU 247 N -3.61 3.48 0.33 1.98 2.02 -0.62 -4.32 118.70 117.96 1thy s GLU 247 Ca 0.26 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 1thy s GLU 247 Cb -0.01 -2.84 -0.10 0.00 0.10 0.00 0.00 34.13 31.27 1thy s GLU 247 CO 0.10 0.39 0.92 0.54 0.02 0.00 0.00 175.26 177.22 1thy s VAL 248 N -1.94 4.30 0.00 2.63 0.11 -1.26 0.38 120.40 124.61 1thy s VAL 248 Ca 0.37 1.68 0.00 0.00 -2.93 0.00 0.00 61.98 61.10 1thy s VAL 248 Cb -0.10 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1thy s VAL 248 CO 0.30 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1thy n GLY 249 N 0.32 1.64 3.56 6.54 0.00 -0.35 -4.62 105.19 112.29 1thy n GLY 249 Ca 0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1thy n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thy s GLU 250 N 1.61 2.02 -0.14 1.61 2.02 -1.26 -0.56 118.70 124.00 1thy s GLU 250 Ca 0.00 -1.41 -0.03 0.00 0.02 0.00 0.00 54.97 53.56 1thy s GLU 250 Cb 0.00 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1thy s GLU 250 CO 0.00 0.40 -0.05 0.12 0.02 0.00 0.00 175.26 175.74 1thy s PHE 251 N -1.99 2.99 -0.13 1.61 5.36 0.30 -2.14 117.98 123.99 1thy s PHE 251 Ca 0.27 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1thy s PHE 251 Cb -0.07 -1.91 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1thy s PHE 251 CO 0.16 -0.00 -0.18 0.42 -1.46 0.00 0.00 175.22 174.16 1thy s ILE 252 N 0.19 1.76 -0.34 3.12 1.01 -0.56 0.15 121.20 126.53 1thy s ILE 252 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1thy s ILE 252 Cb -0.14 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.79 1thy s ILE 252 CO 0.03 0.49 0.09 -2.28 0.00 0.00 0.00 174.94 173.27 1thy s HIS 253 N 1.00 3.28 -0.10 3.97 2.46 -0.70 -0.88 115.29 124.32 1thy s HIS 253 Ca -0.05 -1.59 -0.03 0.00 0.47 0.00 0.00 55.06 53.87 1thy s HIS 253 Cb -0.15 -2.31 -0.03 0.00 -0.13 0.00 0.00 32.58 29.95 1thy s HIS 253 CO -0.04 -0.77 0.01 0.99 -2.47 0.00 0.00 174.74 172.47 1thy s THR 254 N 1.35 4.41 -0.01 0.89 2.01 0.48 -1.69 115.64 123.08 1thy s THR 254 Ca -0.02 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1thy s THR 254 Cb -0.20 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1thy s THR 254 CO 0.01 0.59 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.96 1thy s PHE 255 N -0.77 2.44 0.00 4.92 0.40 0.66 -0.99 117.98 124.64 1thy s PHE 255 Ca 0.12 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1thy s PHE 255 Cb -0.12 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1thy s PHE 255 CO 0.02 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.42 1thy n GLY 256 N 2.22 1.34 3.57 4.36 0.00 -0.19 -2.62 105.19 113.87 1thy n GLY 256 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1thy n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thy s ASP 257 N -1.00 6.37 -0.21 1.61 -1.08 0.99 -1.85 116.67 121.49 1thy s ASP 257 Ca 0.00 -0.06 -0.17 0.00 -0.52 0.00 0.00 52.55 51.79 1thy s ASP 257 Cb 0.00 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1thy s ASP 257 CO 0.00 -1.57 0.47 0.00 0.52 0.00 0.00 175.17 174.59 1thy s ALA 258 N 5.14 3.56 0.05 3.66 0.00 -0.49 -1.07 121.76 132.60 1thy s ALA 258 Ca 0.40 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1thy s ALA 258 Cb -0.08 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1thy s ALA 258 CO 0.22 -0.46 -0.08 -3.38 0.00 0.00 0.00 175.76 172.07 1thy s HIS 259 N 1.66 0.70 -0.26 0.00 -3.43 -0.05 -1.00 115.29 112.91 1thy s HIS 259 Ca 0.21 -0.53 -0.01 0.00 -0.80 0.00 0.00 55.06 53.94 1thy s HIS 259 Cb -0.15 -0.42 0.04 0.00 -1.43 0.00 0.00 32.58 30.62 1thy s HIS 259 CO 0.09 -0.09 -0.06 -1.17 -2.00 0.00 0.00 174.74 171.51 1thy s LEU 260 N -1.70 3.37 0.59 5.38 2.96 -0.45 -0.85 118.68 127.97 1thy s LEU 260 Ca -0.08 -1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 1thy s LEU 260 Cb -0.09 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1thy s LEU 260 CO 0.00 -0.17 1.34 -0.31 -1.32 0.00 0.00 176.35 175.89 1thy s TYR 261 N 1.26 2.16 0.30 5.38 2.02 -1.26 -1.71 117.35 125.50 1thy s TYR 261 Ca -0.03 1.41 0.28 0.00 -0.37 0.00 0.00 57.07 58.36 1thy s TYR 261 Cb -0.18 -3.78 1.31 0.00 -0.40 0.00 0.00 41.96 38.92 1thy s TYR 261 CO -0.04 -2.98 1.99 -0.24 -1.57 0.00 0.00 175.55 172.71 1thy h VAL 262 N 1.03 0.48 -0.51 0.71 3.04 -1.56 -0.56 116.25 118.89 1thy h VAL 262 Ca -0.51 -0.71 -0.10 0.00 -1.01 0.00 0.00 66.70 64.37 1thy h VAL 262 Cb 1.32 1.49 -0.06 0.00 -2.01 0.00 0.00 31.29 32.03 1thy h VAL 262 CO 0.55 0.14 0.13 -0.46 -1.01 0.00 0.00 177.57 176.92 1thy n ASN 263 N -3.47 4.24 0.00 3.17 6.94 -1.26 -3.79 115.26 121.09 1thy n ASN 263 Ca -0.01 -2.82 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 1thy n ASN 263 Cb 0.30 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 1thy n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1thy n HIS 264 N 0.15 0.00 0.18 -2.53 8.25 -0.22 -4.71 115.22 116.35 1thy n HIS 264 Ca 0.27 -0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.61 1thy n HIS 264 Cb 1.06 -0.02 0.40 0.00 1.12 0.00 0.00 29.99 32.56 1thy n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1thy h LEU 265 N 0.00 0.05 -0.16 2.41 3.38 -1.67 -2.19 115.31 117.12 1thy h LEU 265 Ca 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1thy h LEU 265 Cb 0.21 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1thy h LEU 265 CO 0.00 0.33 -0.55 0.44 0.09 0.00 0.00 178.44 178.75 1thy h ASP 266 N 0.04 0.76 -0.13 -0.43 3.32 -1.89 -2.76 116.42 115.33 1thy h ASP 266 Ca 0.01 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.37 1thy h ASP 266 Cb 0.52 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1thy h ASP 266 CO 0.04 1.23 -0.15 1.56 -1.72 0.00 0.00 179.24 180.20 1thy h GLN 267 N 0.33 0.51 -0.11 3.56 7.50 -1.85 0.29 115.11 125.34 1thy h GLN 267 Ca -0.02 -0.16 -0.21 0.00 0.50 0.00 0.00 58.65 58.76 1thy h GLN 267 Cb 1.18 -0.05 0.01 0.00 0.05 0.00 0.00 27.48 28.66 1thy h GLN 267 CO 0.12 0.65 -0.79 0.97 -1.50 0.00 0.00 178.83 178.28 1thy h ILE 268 N 0.47 1.32 -0.90 2.54 6.09 -1.46 -0.49 117.51 125.07 1thy h ILE 268 Ca 0.08 -2.07 -0.01 0.00 -1.37 0.00 0.00 64.86 61.49 1thy h ILE 268 Cb 0.53 2.07 -0.04 0.00 0.47 0.00 0.00 36.82 39.84 1thy h ILE 268 CO 0.03 0.64 0.51 0.11 -3.07 0.00 0.00 178.15 176.37 1thy h LYS 269 N 0.43 1.25 0.61 2.19 1.57 -1.08 0.18 116.57 121.72 1thy h LYS 269 Ca -0.05 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1thy h LYS 269 Cb 1.40 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1thy h LYS 269 CO 0.15 0.90 -0.43 1.49 -0.57 0.00 0.00 179.45 180.99 1thy h GLU 270 N 1.26 -0.96 -0.29 3.15 4.81 -0.29 -2.32 114.58 119.93 1thy h GLU 270 Ca 0.32 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1thy h GLU 270 Cb 0.00 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1thy h GLU 270 CO -0.05 -0.64 0.11 0.37 -0.73 0.00 0.00 179.01 178.07 1thy h GLN 271 N -1.00 0.40 0.00 1.92 4.15 -0.03 -1.12 115.11 119.44 1thy h GLN 271 Ca -0.07 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1thy h GLN 271 Cb 0.82 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1thy h GLN 271 CO 0.04 0.34 0.00 1.28 -1.93 0.00 0.00 178.83 178.57 1thy n LEU 272 N -4.41 0.00 -1.16 -2.39 4.77 0.53 -1.69 117.00 112.65 1thy n LEU 272 Ca 0.01 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1thy n LEU 272 Cb 0.13 -0.19 0.25 0.00 -2.33 0.00 0.00 43.42 41.28 1thy n LEU 272 CO 0.36 -0.12 0.73 -1.54 -1.33 0.00 0.00 177.39 175.48 1thy n SER 273 N -1.19 3.43 -4.83 -1.43 3.41 -0.42 -4.95 113.62 107.64 1thy n SER 273 Ca 0.06 -1.98 -0.36 0.00 -0.26 0.00 0.00 58.87 56.33 1thy n SER 273 Cb 0.07 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1thy n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1thy s ARG 274 N -1.40 4.05 -0.09 4.33 0.52 -0.68 -5.06 118.95 120.62 1thy s ARG 274 Ca 0.41 0.58 -0.21 0.00 -0.52 0.00 0.00 55.73 55.98 1thy s ARG 274 Cb 0.23 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1thy s ARG 274 CO 0.31 0.54 0.62 0.99 0.02 0.00 0.00 175.30 177.78 1thy s THR 275 N -1.34 5.09 0.70 0.02 2.01 -1.26 -5.04 115.64 115.82 1thy s THR 275 Ca 0.34 1.26 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 1thy s THR 275 Cb -0.17 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1thy s THR 275 CO 0.19 0.27 0.29 -2.65 -0.69 0.00 0.00 174.62 172.03 1thy n PRO 276 N 3.81 0.24 -4.61 4.92 -0.02 -1.26 -4.88 135.00 133.21 1thy n PRO 276 Ca -0.03 0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 61.28 1thy n PRO 276 Cb 0.51 -1.59 -0.11 0.00 -0.02 0.00 0.00 33.50 32.29 1thy n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1thy s ARG 277 N -2.32 1.94 0.52 -0.52 1.81 -1.26 -5.08 118.95 114.04 1thy s ARG 277 Ca 0.62 -2.08 -0.21 0.00 -1.72 0.00 0.00 55.73 52.34 1thy s ARG 277 Cb -0.37 -1.65 -0.08 0.00 -0.45 0.00 0.00 34.95 32.40 1thy s ARG 277 CO 0.61 -0.02 0.88 -2.30 -0.68 0.00 0.00 175.30 173.80 1thy n PRO 278 N -0.94 0.99 -2.78 3.54 -0.02 -1.26 -4.88 135.00 129.65 1thy n PRO 278 Ca -0.05 0.37 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 1thy n PRO 278 Cb 0.66 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 1thy n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thy s ALA 279 N -1.46 3.23 1.04 3.55 0.00 -1.26 -4.76 121.76 122.09 1thy s ALA 279 Ca 0.69 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1thy s ALA 279 Cb -0.48 -3.19 0.20 0.00 0.00 0.00 0.00 23.12 19.66 1thy s ALA 279 CO 0.53 0.18 1.03 -0.35 0.00 0.00 0.00 175.76 177.15 1thy n PRO 280 N 0.68 -1.34 -4.74 0.00 -0.04 -1.25 -4.68 135.00 123.64 1thy n PRO 280 Ca 0.01 -0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 62.80 1thy n PRO 280 Cb 0.50 -2.25 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1thy n PRO 280 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1thy s THR 281 N -2.52 3.33 -0.07 0.52 2.01 0.10 -1.39 115.64 117.62 1thy s THR 281 Ca 0.67 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1thy s THR 281 Cb -0.24 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1thy s THR 281 CO 0.62 0.57 0.28 -0.22 -0.69 0.00 0.00 174.62 175.18 1thy s LEU 282 N -0.35 4.42 -0.12 4.42 2.96 -1.26 0.55 118.68 129.30 1thy s LEU 282 Ca 0.04 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1thy s LEU 282 Cb -0.12 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.23 1thy s LEU 282 CO 0.02 0.34 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.64 1thy s GLN 283 N -0.90 2.45 -0.02 1.98 0.74 0.16 -4.94 119.66 119.13 1thy s GLN 283 Ca 0.19 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 54.99 1thy s GLN 283 Cb -0.14 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.89 1thy s GLN 283 CO 0.08 -0.05 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.16 1thy s LEU 284 N 0.95 2.98 -0.13 3.68 1.02 -1.26 -0.00 118.68 125.92 1thy s LEU 284 Ca -0.06 -0.17 -0.33 0.00 0.02 0.00 0.00 54.13 53.59 1thy s LEU 284 Cb -0.15 -1.68 -0.10 0.00 0.02 0.00 0.00 46.19 44.28 1thy s LEU 284 CO -0.02 0.31 2.00 -3.20 0.02 0.00 0.00 176.35 175.47 1thy n ASN 285 N 1.89 3.36 0.25 2.29 2.85 -0.13 -4.86 115.26 120.91 1thy n ASN 285 Ca -0.16 0.75 0.11 0.00 -0.11 0.00 0.00 54.58 55.16 1thy n ASN 285 Cb 0.52 -1.41 0.67 0.00 1.24 0.00 0.00 39.78 40.80 1thy n ASN 285 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1thy h PRO 286 N 10.93 0.00 0.08 1.20 0.11 -1.98 -2.87 132.00 139.47 1thy h PRO 286 Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.40 1thy h PRO 286 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1thy h PRO 286 CO 0.96 0.14 -1.25 -0.44 -0.21 0.00 0.00 178.00 177.20 1thy h ASP 287 N 0.00 0.26 -3.30 -2.05 3.32 -2.01 -3.44 116.42 109.19 1thy h ASP 287 Ca -0.00 -0.30 -0.57 0.00 0.02 0.00 0.00 57.03 56.18 1thy h ASP 287 Cb 0.35 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1thy h ASP 287 CO 0.02 1.24 -0.03 -0.54 -1.72 0.00 0.00 179.24 178.21 1thy s LYS 288 N -2.66 4.31 -0.00 3.56 1.02 -1.08 -4.94 119.74 119.94 1thy s LYS 288 Ca -0.03 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1thy s LYS 288 Cb 0.08 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1thy s LYS 288 CO 0.85 0.35 0.00 0.72 -0.92 0.00 0.00 175.35 176.36 1thy n HIS 289 N 2.81 0.00 -3.09 3.18 8.25 -1.26 -4.85 115.22 120.26 1thy n HIS 289 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1thy n HIS 289 Cb 0.51 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 1thy n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1thy s ASP 290 N -1.79 6.34 0.16 0.41 2.15 -1.26 -4.18 116.67 118.50 1thy s ASP 290 Ca -0.00 -0.29 0.20 0.00 0.43 0.00 0.00 52.55 52.89 1thy s ASP 290 Cb 0.00 -2.33 0.84 0.00 -0.30 0.00 0.00 42.92 41.13 1thy s ASP 290 CO 0.01 -0.79 1.60 2.30 -0.17 0.00 0.00 175.17 178.12 1thy n ILE 291 N 5.88 0.93 0.64 4.11 -5.35 -1.26 -1.45 119.36 122.86 1thy n ILE 291 Ca -0.01 0.27 0.12 0.00 -0.27 0.00 0.00 62.75 62.86 1thy n ILE 291 Cb 0.48 -1.14 0.46 0.00 -1.74 0.00 0.00 39.64 37.70 1thy n ILE 291 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1thy n PHE 292 N -1.96 0.64 -1.29 4.28 3.72 -1.26 -1.98 117.46 119.61 1thy n PHE 292 Ca 0.02 0.21 0.03 0.00 -0.05 0.00 0.00 57.45 57.66 1thy n PHE 292 Cb 0.19 -0.83 0.21 0.00 -0.94 0.00 0.00 39.48 38.11 1thy n PHE 292 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1thy n ASP 293 N -2.04 2.72 -4.87 4.37 2.03 -0.53 -4.69 116.55 113.54 1thy n ASP 293 Ca 0.05 -3.49 -0.31 0.00 0.52 0.00 0.00 54.79 51.57 1thy n ASP 293 Cb 0.35 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1thy n ASP 293 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1thy s PHE 294 N -3.08 3.60 0.03 -0.67 0.40 -0.84 -4.97 117.98 112.45 1thy s PHE 294 Ca 0.41 1.25 -0.03 0.00 -0.60 0.00 0.00 56.93 57.96 1thy s PHE 294 Cb 0.36 -2.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1thy s PHE 294 CO 0.02 -0.60 0.04 0.34 0.70 0.00 0.00 175.22 175.72 1thy s ASP 295 N -4.02 0.21 0.27 1.36 2.15 -1.26 -5.05 116.67 110.33 1thy s ASP 295 Ca 0.55 -0.52 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 1thy s ASP 295 Cb -0.11 0.17 0.61 0.00 -0.30 0.00 0.00 42.92 43.30 1thy s ASP 295 CO 0.50 -0.42 1.64 0.24 -0.17 0.00 0.00 175.17 176.96 1thy h MET 296 N 4.07 0.16 0.00 4.34 2.86 -1.95 0.57 114.93 124.98 1thy h MET 296 Ca -0.32 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1thy h MET 296 Cb 1.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1thy h MET 296 CO 0.47 0.11 0.01 1.63 1.06 0.00 0.00 176.91 180.19 1thy n LYS 297 N -5.28 0.08 0.00 1.72 4.01 -1.26 -2.20 118.16 115.23 1thy n LYS 297 Ca 0.19 0.58 0.12 0.00 -0.51 0.00 0.00 58.31 58.69 1thy n LYS 297 Cb 0.61 -1.78 0.27 0.00 -0.51 0.00 0.00 35.03 33.62 1thy n LYS 297 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1thy n ASP 298 N -1.94 1.33 -4.08 4.39 8.00 0.19 -4.78 116.55 119.65 1thy n ASP 298 Ca -0.01 -1.09 -0.32 0.00 0.71 0.00 0.00 54.79 54.08 1thy n ASP 298 Cb 0.03 0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.20 1thy n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1thy s ILE 299 N -2.48 1.95 -0.11 0.53 1.01 -0.94 -0.95 121.20 120.22 1thy s ILE 299 Ca 0.23 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1thy s ILE 299 Cb 0.19 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1thy s ILE 299 CO 0.53 0.39 -0.15 -0.54 0.00 0.00 0.00 174.94 175.17 1thy s LYS 300 N 1.30 3.20 -0.25 2.79 1.02 0.99 -4.98 119.74 123.81 1thy s LYS 300 Ca 0.02 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.23 1thy s LYS 300 Cb -0.15 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1thy s LYS 300 CO -0.11 0.27 0.04 -1.17 -0.92 0.00 0.00 175.35 173.47 1thy s LEU 301 N 0.18 3.35 -0.15 3.17 0.20 -1.26 0.40 118.68 124.56 1thy s LEU 301 Ca -0.08 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.39 1thy s LEU 301 Cb -0.15 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 1thy s LEU 301 CO 0.05 -0.05 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.29 1thy s LEU 302 N 1.57 3.38 -0.69 -0.68 1.02 0.19 -4.71 118.68 118.77 1thy s LEU 302 Ca 0.06 -0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 1thy s LEU 302 Cb -0.15 -1.82 -0.00 0.00 0.02 0.00 0.00 46.19 44.24 1thy s LEU 302 CO 0.02 0.19 0.58 0.59 0.02 0.00 0.00 176.35 177.75 1thy n ASN 303 N 3.38 -2.25 -4.62 2.29 5.03 -1.26 -0.72 115.26 117.11 1thy n ASN 303 Ca -0.17 -0.37 -0.35 0.00 0.87 0.00 0.00 54.58 54.56 1thy n ASN 303 Cb 0.53 -3.20 -0.10 0.00 -1.02 0.00 0.00 39.78 35.98 1thy n ASN 303 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1thy s TYR 304 N -3.21 3.24 -0.56 3.10 5.04 -1.26 -3.77 117.35 119.94 1thy s TYR 304 Ca 0.02 0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.75 1thy s TYR 304 Cb -0.00 -2.15 0.19 0.00 0.35 0.00 0.00 41.96 40.35 1thy s TYR 304 CO 0.43 0.07 0.48 -3.47 -1.34 0.00 0.00 175.55 171.71 1thy n ASP 305 N 3.90 1.60 -4.87 4.32 2.03 -1.26 -5.07 116.55 117.19 1thy n ASP 305 Ca -0.16 -2.90 -0.31 0.00 0.52 0.00 0.00 54.79 51.94 1thy n ASP 305 Cb 0.52 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1thy n ASP 305 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1thy s PRO 306 N -1.06 3.65 0.63 -0.67 0.04 -1.26 -4.87 135.00 131.46 1thy s PRO 306 Ca 0.31 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 61.96 1thy s PRO 306 Cb 0.04 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1thy s PRO 306 CO -0.15 -0.51 1.08 0.71 0.04 0.00 0.00 177.00 178.17 1thy s TYR 307 N -3.08 2.83 0.66 0.56 1.51 0.41 -4.91 117.35 115.34 1thy s TYR 307 Ca 0.55 1.52 -0.17 0.00 -1.01 0.00 0.00 57.07 57.96 1thy s TYR 307 Cb -0.11 -3.07 -0.11 0.00 -0.11 0.00 0.00 41.96 38.56 1thy s TYR 307 CO 0.50 -1.38 0.00 -0.35 -1.11 0.00 0.00 175.55 173.21 1thy n PRO 308 N -2.32 0.13 -1.42 -1.71 -0.04 -1.26 -2.05 135.00 126.33 1thy n PRO 308 Ca 0.09 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1thy n PRO 308 Cb 0.53 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.77 1thy n PRO 308 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1thy s ALA 309 N -1.95 2.16 -0.14 0.55 0.00 -1.26 -3.51 121.76 117.61 1thy s ALA 309 Ca 0.57 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1thy s ALA 309 Cb -0.39 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 1thy s ALA 309 CO 0.66 -1.79 -0.17 0.42 0.00 0.00 0.00 175.76 174.88 1thy s ILE 310 N -2.27 2.61 -0.01 0.00 1.01 -1.26 -4.89 121.20 116.40 1thy s ILE 310 Ca 0.70 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1thy s ILE 310 Cb -0.24 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1thy s ILE 310 CO 0.47 0.53 0.33 -0.75 0.00 0.00 0.00 174.94 175.51 1thy s LYS 311 N 0.65 3.73 -0.09 2.79 2.36 -1.26 -5.04 119.74 122.88 1thy s LYS 311 Ca -0.09 0.18 -0.16 0.00 -2.55 0.00 0.00 55.97 53.36 1thy s LYS 311 Cb -0.16 -3.15 0.04 0.00 -1.05 0.00 0.00 37.83 33.51 1thy s LYS 311 CO 0.02 0.68 0.39 0.00 1.55 0.00 0.00 175.35 177.99 1thy s ALA 312 N -1.16 -0.97 0.30 3.13 0.00 -1.26 -5.00 121.76 116.80 1thy s ALA 312 Ca 0.24 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 1thy s ALA 312 Cb -0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.52 1thy s ALA 312 CO 0.13 -0.23 1.53 -0.35 0.00 0.00 0.00 175.76 176.83 1thy n PRO 313 N 2.12 2.53 -2.39 0.00 -0.04 -1.26 -4.99 135.00 130.98 1thy n PRO 313 Ca -0.17 0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 63.76 1thy n PRO 313 Cb 0.57 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1thy n PRO 313 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1thy s VAL 314 N -0.24 4.16 -0.12 0.52 1.01 -1.26 -4.96 120.40 119.51 1thy s VAL 314 Ca 0.63 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.71 1thy s VAL 314 Cb -0.53 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1thy s VAL 314 CO 0.52 -0.27 0.90 0.00 0.00 0.00 0.00 175.10 176.25 1thy s ALA 315 N 3.96 3.43 0.00 5.51 0.00 -1.26 -5.08 121.76 128.32 1thy s ALA 315 Ca 0.57 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1thy s ALA 315 Cb -0.20 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1thy s ALA 315 CO 0.19 -0.55 0.00 1.33 0.00 0.00 0.00 175.76 176.73