#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brl s LYS 2 N 0.00 3.56 0.08 3.17 1.02 -0.22 -5.04 119.74 122.32 1brl s LYS 2 Ca 0.00 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 55.50 1brl s LYS 2 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1brl s LYS 2 CO 0.00 0.15 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.32 1brl s PHE 3 N 0.60 2.50 0.01 3.18 0.08 -1.26 -0.82 117.98 122.27 1brl s PHE 3 Ca -0.04 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.67 1brl s PHE 3 Cb -0.15 -1.38 -0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1brl s PHE 3 CO 0.03 0.31 0.09 0.20 -0.10 0.00 0.00 175.22 175.75 1brl s GLY 4 N -1.79 0.10 -0.18 4.36 0.00 -1.13 -1.18 107.32 107.50 1brl s GLY 4 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 1brl s GLY 4 CO 0.07 -0.38 0.02 0.21 0.00 0.00 0.00 173.10 173.03 1brl s ASN 5 N -1.41 5.26 -0.19 1.64 3.84 -0.47 -0.82 114.94 122.78 1brl s ASN 5 Ca -0.15 -0.02 -0.07 0.00 0.21 0.00 0.00 52.86 52.82 1brl s ASN 5 Cb -0.08 -1.89 -0.04 0.00 -0.55 0.00 0.00 41.25 38.69 1brl s ASN 5 CO 0.01 0.16 0.06 0.12 -2.79 0.00 0.00 177.10 174.66 1brl s PHE 6 N 0.46 3.22 -0.13 0.43 2.19 0.30 -1.26 117.98 123.18 1brl s PHE 6 Ca 0.00 0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.28 1brl s PHE 6 Cb -0.13 -2.10 0.02 0.00 -1.31 0.00 0.00 43.02 39.49 1brl s PHE 6 CO 0.02 0.08 -0.16 -0.51 1.83 0.00 0.00 175.22 176.47 1brl s LEU 7 N 0.55 1.79 -0.15 6.12 1.43 -0.35 -4.12 118.68 123.95 1brl s LEU 7 Ca 0.03 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1brl s LEU 7 Cb -0.13 -1.19 -0.24 0.00 0.03 0.00 0.00 46.19 44.66 1brl s LEU 7 CO 0.01 0.00 0.24 0.18 0.23 0.00 0.00 176.35 177.01 1brl n LEU 8 N 4.37 2.47 -1.51 1.79 4.77 -1.26 -2.09 117.00 125.53 1brl n LEU 8 Ca -0.19 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1brl n LEU 8 Cb 0.51 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1brl n LEU 8 CO 0.24 0.82 0.06 0.41 -1.33 0.00 0.00 177.39 177.59 1brl n THR 9 N -3.36 -1.20 -2.76 -5.08 -1.04 -1.26 -4.42 114.28 95.15 1brl n THR 9 Ca -0.34 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.21 1brl n THR 9 Cb 1.04 -2.61 -0.05 0.00 -1.82 0.00 0.00 70.33 66.88 1brl n THR 9 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1brl s TYR 10 N -3.10 3.91 -0.32 -1.42 5.04 -1.24 -1.07 117.35 119.16 1brl s TYR 10 Ca 0.10 1.84 -0.10 0.00 -2.44 0.00 0.00 57.07 56.48 1brl s TYR 10 Cb -0.05 -3.00 -0.00 0.00 0.35 0.00 0.00 41.96 39.27 1brl s TYR 10 CO 0.21 0.35 0.16 -1.14 -1.34 0.00 0.00 175.55 173.79 1brl s GLN 11 N -0.66 3.25 0.64 4.97 0.74 0.28 -4.98 119.66 123.88 1brl s GLN 11 Ca 0.43 -0.78 -0.17 0.00 0.05 0.00 0.00 55.36 54.89 1brl s GLN 11 Cb -0.25 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.27 1brl s GLN 11 CO 0.31 -0.46 1.16 -1.25 -0.55 0.00 0.00 175.29 174.49 1brl s PRO 12 N 1.60 2.82 0.02 1.67 0.04 -1.26 -4.81 135.00 135.07 1brl s PRO 12 Ca 0.04 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1brl s PRO 12 Cb -0.17 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.82 1brl s PRO 12 CO 0.06 -1.28 1.28 -0.35 0.04 0.00 0.00 177.00 176.75 1brl n PRO 13 N -2.06 0.01 0.00 0.56 -0.04 -1.26 -2.23 135.00 129.97 1brl n PRO 13 Ca 0.12 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1brl n PRO 13 Cb 0.51 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.50 1brl n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1brl n GLU 14 N -1.55 1.50 -4.49 0.54 0.00 -1.26 -4.91 120.64 110.47 1brl n GLU 14 Ca 0.02 -1.44 -0.34 0.00 0.00 0.00 0.00 57.16 55.40 1brl n GLU 14 Cb 0.09 -1.33 -0.12 0.00 0.00 0.00 0.00 31.44 30.08 1brl n GLU 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1brl s LEU 15 N -1.59 3.23 0.55 -1.84 1.43 -0.95 -5.10 118.68 114.41 1brl s LEU 15 Ca 0.20 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1brl s LEU 15 Cb 0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1brl s LEU 15 CO 0.26 0.25 0.91 -0.94 0.23 0.00 0.00 176.35 177.06 1brl s SER 16 N -0.14 6.25 0.41 2.29 1.04 -1.26 -4.61 113.70 117.67 1brl s SER 16 Ca 0.02 1.19 0.22 0.00 0.48 0.00 0.00 55.95 57.86 1brl s SER 16 Cb -0.13 -2.37 1.21 0.00 0.10 0.00 0.00 66.02 64.83 1brl s SER 16 CO 0.03 -0.73 1.72 1.56 0.98 0.00 0.00 173.24 176.80 1brl h GLN 17 N -0.04 0.28 -0.13 4.02 4.20 -1.99 0.22 115.11 121.68 1brl h GLN 17 Ca -0.45 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 1brl h GLN 17 Cb 1.20 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 1brl h GLN 17 CO 0.62 0.19 -0.14 1.15 -0.67 0.00 0.00 178.83 179.97 1brl h THR 18 N 0.29 1.36 -0.69 -0.54 2.02 -1.99 -0.82 112.91 112.54 1brl h THR 18 Ca 0.67 -1.32 0.12 0.00 0.77 0.00 0.00 66.41 66.65 1brl h THR 18 Cb 1.85 1.93 -0.08 0.00 -1.74 0.00 0.00 68.15 70.11 1brl h THR 18 CO -0.35 0.38 0.27 -0.33 0.37 0.00 0.00 175.52 175.86 1brl h GLU 19 N -0.07 0.42 -0.60 6.66 5.08 -1.35 0.57 114.58 125.29 1brl h GLU 19 Ca 0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1brl h GLU 19 Cb 0.67 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1brl h GLU 19 CO 0.03 0.28 0.03 0.28 -1.00 0.00 0.00 179.01 178.63 1brl h VAL 20 N 0.43 1.26 -0.35 3.13 2.07 -1.17 -1.14 116.25 120.49 1brl h VAL 20 Ca 0.36 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1brl h VAL 20 Cb 0.50 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1brl h VAL 20 CO -0.36 0.40 -0.10 0.24 0.02 0.00 0.00 177.57 177.77 1brl h MET 21 N 0.94 0.59 0.06 1.57 2.86 0.47 0.35 114.93 121.77 1brl h MET 21 Ca 0.18 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1brl h MET 21 Cb 0.50 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1brl h MET 21 CO 0.02 0.69 -0.03 -0.22 1.06 0.00 0.00 176.91 178.43 1brl h LYS 22 N 0.55 -0.08 -0.59 1.72 3.64 -0.63 -2.42 116.57 118.76 1brl h LYS 22 Ca 0.10 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1brl h LYS 22 Cb 0.50 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1brl h LYS 22 CO 0.03 0.29 0.39 -0.09 -2.27 0.00 0.00 179.45 177.80 1brl h ARG 23 N -0.47 0.76 -0.86 1.90 2.43 -1.03 -1.24 114.38 115.88 1brl h ARG 23 Ca -0.01 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1brl h ARG 23 Cb 0.41 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1brl h ARG 23 CO 0.01 0.50 0.56 1.25 -1.51 0.00 0.00 179.97 180.79 1brl h LEU 24 N 0.78 0.97 -0.61 3.80 5.85 -0.05 -2.17 115.31 123.88 1brl h LEU 24 Ca 0.22 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 1brl h LEU 24 Cb -0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1brl h LEU 24 CO -0.05 0.70 -0.68 0.58 -0.34 0.00 0.00 178.44 178.65 1brl h VAL 25 N 1.15 1.46 -0.26 1.05 2.07 -0.78 -2.76 116.25 118.17 1brl h VAL 25 Ca 0.32 -2.25 -0.10 0.00 0.82 0.00 0.00 66.70 65.49 1brl h VAL 25 Cb -0.12 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1brl h VAL 25 CO -0.07 0.65 -0.25 0.78 0.02 0.00 0.00 177.57 178.70 1brl h ASN 26 N 0.06 0.51 -0.02 0.57 -0.26 -0.84 -2.44 115.58 113.16 1brl h ASN 26 Ca -0.01 -0.17 -0.23 0.00 -0.56 0.00 0.00 56.30 55.32 1brl h ASN 26 Cb 1.20 -0.14 0.02 0.00 -1.06 0.00 0.00 38.32 38.34 1brl h ASN 26 CO 0.09 0.75 -0.89 -0.07 -1.06 0.00 0.00 177.43 176.26 1brl h LEU 27 N 0.45 0.83 -0.87 1.61 3.38 -1.37 -1.05 115.31 118.29 1brl h LEU 27 Ca 0.07 -0.72 0.10 0.00 0.09 0.00 0.00 57.88 57.41 1brl h LEU 27 Cb 0.67 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1brl h LEU 27 CO 0.05 1.44 0.51 1.23 0.09 0.00 0.00 178.44 181.76 1brl h GLY 28 N 0.30 1.36 0.53 0.83 0.00 -1.41 -0.31 103.07 104.37 1brl h GLY 28 Ca -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1brl h GLY 28 CO 0.18 0.15 -0.20 0.50 0.00 0.00 0.00 176.54 177.16 1brl h LYS 29 N 0.85 -0.54 -0.59 4.80 1.57 -1.35 -3.27 116.57 118.03 1brl h LYS 29 Ca 0.42 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.41 1brl h LYS 29 Cb 0.38 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1brl h LYS 29 CO -0.25 -0.26 0.48 0.00 -0.57 0.00 0.00 179.45 178.85 1brl h ALA 30 N -0.82 2.47 -0.12 3.86 0.00 -0.98 -3.29 119.26 120.39 1brl h ALA 30 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1brl h ALA 30 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1brl h ALA 30 CO 0.09 -0.78 0.00 0.43 0.00 0.00 0.00 179.25 178.99 1brl n SER 31 N -4.13 0.00 -0.33 0.00 7.64 -0.14 -0.55 113.62 116.11 1brl n SER 31 Ca 0.11 0.67 0.08 0.00 1.01 0.00 0.00 58.87 60.74 1brl n SER 31 Cb 0.71 -0.32 0.25 0.00 -1.01 0.00 0.00 64.21 63.83 1brl n SER 31 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1brl h GLU 32 N 0.00 0.79 -0.35 1.43 5.08 -1.65 0.14 114.58 120.01 1brl h GLU 32 Ca 0.00 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1brl h GLU 32 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1brl h GLU 32 CO 0.00 0.52 0.42 0.78 -1.00 0.00 0.00 179.01 179.73 1brl h GLY 33 N 0.82 0.00 -2.58 -3.84 0.00 -1.01 0.19 103.07 96.65 1brl h GLY 33 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1brl h GLY 33 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.22 1brl n GLY 35 N 1.08 0.87 3.70 0.00 0.00 0.66 -4.70 105.19 106.81 1brl n GLY 35 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1brl n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brl s PHE 36 N -3.47 3.57 -1.91 1.61 0.08 -1.18 -4.79 117.98 111.90 1brl s PHE 36 Ca 0.00 1.54 0.19 0.00 0.12 0.00 0.00 56.93 58.78 1brl s PHE 36 Cb 0.00 -3.08 0.58 0.00 -0.57 0.00 0.00 43.02 39.95 1brl s PHE 36 CO 0.00 -0.09 1.48 -0.40 -0.10 0.00 0.00 175.22 176.11 1brl n ASP 37 N 4.41 3.56 -3.58 1.36 5.68 -0.33 -3.78 116.55 123.87 1brl n ASP 37 Ca 0.06 -2.04 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 1brl n ASP 37 Cb 0.50 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.97 1brl n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1brl s THR 38 N -1.21 0.00 -0.08 2.12 2.01 -1.17 -3.18 115.64 114.12 1brl s THR 38 Ca 0.44 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1brl s THR 38 Cb 0.23 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1brl s THR 38 CO 0.29 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.30 1brl s VAL 39 N -0.57 2.25 -0.06 3.82 1.01 0.12 -1.37 120.40 125.60 1brl s VAL 39 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1brl s VAL 39 Cb -0.02 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1brl s VAL 39 CO 0.04 0.56 -0.23 0.26 0.00 0.00 0.00 175.10 175.72 1brl s TRP 40 N 0.06 2.48 -0.10 5.22 0.52 -0.39 0.96 118.94 127.69 1brl s TRP 40 Ca -0.09 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.36 1brl s TRP 40 Cb -0.15 -1.62 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1brl s TRP 40 CO 0.06 -0.19 -0.14 -0.51 0.02 0.00 0.00 176.95 176.19 1brl s LEU 41 N -0.17 2.67 0.19 2.99 1.43 -0.05 -1.21 118.68 124.52 1brl s LEU 41 Ca -0.03 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1brl s LEU 41 Cb -0.14 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1brl s LEU 41 CO 0.04 0.23 0.43 -0.22 0.23 0.00 0.00 176.35 177.05 1brl s LEU 42 N -0.01 4.21 -0.16 1.79 2.96 -0.89 -0.50 118.68 126.08 1brl s LEU 42 Ca -0.04 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1brl s LEU 42 Cb -0.14 -3.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1brl s LEU 42 CO 0.04 -0.02 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.30 1brl s GLU 43 N -2.92 3.60 -0.27 1.98 2.12 -1.25 -4.81 118.70 117.14 1brl s GLU 43 Ca 0.42 -0.56 -0.14 0.00 0.36 0.00 0.00 54.97 55.05 1brl s GLU 43 Cb -0.12 -2.87 0.09 0.00 0.26 0.00 0.00 34.13 31.49 1brl s GLU 43 CO 0.26 0.20 0.65 -1.58 -0.54 0.00 0.00 175.26 174.25 1brl s HIS 44 N 0.45 -1.07 -0.04 5.30 2.46 -1.09 -4.93 115.29 116.37 1brl s HIS 44 Ca -0.05 2.08 -0.07 0.00 0.47 0.00 0.00 55.06 57.50 1brl s HIS 44 Cb -0.15 0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 32.89 1brl s HIS 44 CO 0.03 -0.54 0.23 -1.01 -2.47 0.00 0.00 174.74 170.98 1brl s HIS 45 N 1.84 3.60 -0.69 3.88 3.76 -1.26 -3.60 115.29 122.82 1brl s HIS 45 Ca -0.09 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1brl s HIS 45 Cb -0.07 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1brl s HIS 45 CO -0.19 0.66 0.00 1.19 -0.85 0.00 0.00 174.74 175.55 1brl n PHE 46 N 1.47 -0.02 -4.01 1.40 3.72 -1.26 -4.95 117.46 113.80 1brl n PHE 46 Ca -0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.17 1brl n PHE 46 Cb 0.53 -2.37 -0.08 0.00 -0.94 0.00 0.00 39.48 36.62 1brl n PHE 46 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1brl s THR 47 N -1.50 0.12 0.65 4.37 2.01 -1.26 -5.05 115.64 114.98 1brl s THR 47 Ca 0.00 -1.55 0.38 0.00 0.31 0.00 0.00 61.69 60.83 1brl s THR 47 Cb 0.00 -1.72 0.40 0.00 0.01 0.00 0.00 72.50 71.19 1brl s THR 47 CO 0.00 -0.55 2.25 -0.33 -0.69 0.00 0.00 174.62 175.30 1brl h GLU 48 N 2.78 0.00 -0.81 4.92 3.07 -1.94 -2.58 114.58 120.03 1brl h GLU 48 Ca -0.34 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.51 1brl h GLU 48 Cb 1.20 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 1brl h GLU 48 CO 0.56 0.00 0.46 0.35 -1.40 0.00 0.00 179.01 178.98 1brl h PHE 49 N 0.00 1.08 -2.24 4.33 3.57 -1.87 0.80 116.94 122.61 1brl h PHE 49 Ca 0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1brl h PHE 49 Cb 0.17 -0.35 -0.23 0.00 2.79 0.00 0.00 35.95 38.33 1brl h PHE 49 CO 0.00 0.74 -0.13 0.20 -2.23 0.00 0.00 178.31 176.88 1brl s GLY 50 N -3.33 -0.53 -0.07 2.40 0.00 -0.97 -3.59 107.32 101.23 1brl s GLY 50 Ca -0.12 2.06 0.17 0.00 0.00 0.00 0.00 44.72 46.83 1brl s GLY 50 CO 0.81 2.29 0.48 1.04 0.00 0.00 0.00 173.10 177.72 1brl n LEU 51 N 4.57 0.47 -4.56 0.66 4.77 -0.23 -4.06 117.00 118.63 1brl n LEU 51 Ca -0.19 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1brl n LEU 51 Cb 0.55 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1brl n LEU 51 CO 0.01 0.31 1.45 -0.22 -1.33 0.00 0.00 177.39 177.61 1brl s LEU 52 N -5.62 3.48 -0.11 2.23 2.96 -1.26 -4.86 118.68 115.50 1brl s LEU 52 Ca -0.06 -1.36 0.14 0.00 -0.22 0.00 0.00 54.13 52.62 1brl s LEU 52 Cb 0.08 -2.57 0.58 0.00 0.50 0.00 0.00 46.19 44.79 1brl s LEU 52 CO 0.83 -1.54 1.45 0.61 -1.32 0.00 0.00 176.35 176.38 1brl n GLY 53 N 6.74 2.26 2.40 7.98 0.00 -1.24 -2.67 105.19 120.67 1brl n GLY 53 Ca 0.30 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1brl n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1brl n ASN 54 N 0.77 -0.93 -0.20 1.61 3.02 -1.26 -4.74 115.26 113.53 1brl n ASN 54 Ca 0.21 -2.73 0.16 0.00 -0.03 0.00 0.00 54.58 52.19 1brl n ASN 54 Cb 0.78 0.06 0.49 0.00 -0.61 0.00 0.00 39.78 40.50 1brl n ASN 54 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1brl h PRO 55 N 4.58 0.44 -0.27 3.52 0.14 -1.89 -2.64 132.00 135.88 1brl h PRO 55 Ca 0.09 -0.03 0.01 0.00 0.14 0.00 0.00 66.00 66.22 1brl h PRO 55 Cb 0.94 -0.10 -0.02 0.00 0.14 0.00 0.00 31.00 31.96 1brl h PRO 55 CO 0.36 0.29 0.14 1.88 0.14 0.00 0.00 178.00 180.82 1brl h TYR 56 N 0.45 0.27 -0.16 1.56 0.05 -1.98 0.54 116.97 117.70 1brl h TYR 56 Ca 0.40 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.19 1brl h TYR 56 Cb 0.91 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 1brl h TYR 56 CO -0.00 0.16 0.07 0.28 -1.05 0.00 0.00 178.16 177.62 1brl h VAL 57 N 0.30 1.14 -0.68 -2.88 2.07 -1.91 0.50 116.25 114.79 1brl h VAL 57 Ca 0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1brl h VAL 57 Cb 0.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1brl h VAL 57 CO -0.06 0.13 0.43 0.00 0.02 0.00 0.00 177.57 178.09 1brl h ALA 58 N 0.93 0.86 -0.51 1.67 0.00 -1.33 -1.58 119.26 119.30 1brl h ALA 58 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1brl h ALA 58 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1brl h ALA 58 CO -0.01 0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.85 1brl h ALA 59 N 1.23 0.65 -0.93 0.00 0.00 0.31 -1.81 119.26 118.72 1brl h ALA 59 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1brl h ALA 59 Cb -0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1brl h ALA 59 CO -0.05 0.01 0.61 0.00 0.00 0.00 0.00 179.25 179.82 1brl h ALA 60 N 1.22 1.42 -0.08 0.00 0.00 0.01 0.18 119.26 122.02 1brl h ALA 60 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1brl h ALA 60 Cb 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1brl h ALA 60 CO -0.09 0.48 0.03 1.25 0.00 0.00 0.00 179.25 180.92 1brl h HIS 61 N 1.15 0.12 -0.04 0.00 2.76 -0.52 0.19 115.15 118.80 1brl h HIS 61 Ca 0.38 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.40 1brl h HIS 61 Cb 0.05 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1brl h HIS 61 CO -0.00 0.24 -0.59 -0.07 -1.30 0.00 0.00 177.93 176.21 1brl h LEU 62 N -0.03 0.15 -0.61 0.26 3.38 -0.95 -1.70 115.31 115.81 1brl h LEU 62 Ca 0.03 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1brl h LEU 62 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1brl h LEU 62 CO -0.00 0.70 -0.05 -0.07 0.09 0.00 0.00 178.44 179.11 1brl h LEU 63 N 0.10 1.04 -0.56 1.67 3.38 -0.56 -2.42 115.31 117.95 1brl h LEU 63 Ca -0.01 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 1brl h LEU 63 Cb 1.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1brl h LEU 63 CO 0.08 1.11 -0.09 1.23 0.09 0.00 0.00 178.44 180.87 1brl h GLY 64 N 0.97 1.14 1.02 0.83 0.00 -0.78 -2.93 103.07 103.30 1brl h GLY 64 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1brl h GLY 64 CO 0.04 0.83 0.00 0.00 0.00 0.00 0.00 176.54 177.41 1brl n ALA 65 N -2.50 2.07 -2.39 3.60 0.00 -0.65 -4.77 120.51 115.87 1brl n ALA 65 Ca 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1brl n ALA 65 Cb 0.40 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1brl n ALA 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1brl s THR 66 N -2.02 0.23 -0.16 0.00 -4.23 -1.03 -5.06 115.64 103.37 1brl s THR 66 Ca 0.23 -1.53 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 1brl s THR 66 Cb 0.11 -1.13 -0.23 0.00 1.34 0.00 0.00 72.50 72.59 1brl s THR 66 CO 0.18 -0.82 0.37 -0.33 -0.54 0.00 0.00 174.62 173.48 1brl h GLU 67 N 3.63 0.09 0.00 3.99 3.07 -1.86 -3.45 114.58 120.06 1brl h GLU 67 Ca -0.34 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1brl h GLU 67 Cb 1.16 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1brl h GLU 67 CO 0.58 1.08 -1.12 0.25 -1.40 0.00 0.00 179.01 178.39 1brl n THR 68 N -4.20 0.03 -0.88 1.13 -2.24 -1.26 -5.07 114.28 101.79 1brl n THR 68 Ca -0.28 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 1brl n THR 68 Cb 0.76 0.18 0.11 0.00 -2.10 0.00 0.00 70.33 69.29 1brl n THR 68 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1brl n LEU 69 N -1.68 0.22 -4.42 3.22 7.94 -1.26 -5.00 117.00 116.03 1brl n LEU 69 Ca -0.01 0.38 -0.28 0.00 -1.11 0.00 0.00 56.01 54.99 1brl n LEU 69 Cb 0.16 -1.23 -0.12 0.00 0.53 0.00 0.00 43.42 42.76 1brl n LEU 69 CO 0.05 -3.44 -0.54 0.20 -1.11 0.00 0.00 177.39 172.55 1brl s ASN 70 N -1.95 3.44 0.01 1.96 0.02 -1.19 -4.95 114.94 112.29 1brl s ASN 70 Ca 0.59 -0.77 0.02 0.00 -1.02 0.00 0.00 52.86 51.69 1brl s ASN 70 Cb -0.24 -0.28 -0.01 0.00 0.02 0.00 0.00 41.25 40.74 1brl s ASN 70 CO 0.65 0.16 -0.08 -0.69 0.02 0.00 0.00 177.10 177.16 1brl s VAL 71 N -1.29 0.61 0.05 1.60 1.01 -0.69 0.14 120.40 121.83 1brl s VAL 71 Ca 0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1brl s VAL 71 Cb -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1brl s VAL 71 CO 0.08 -0.00 -0.01 -0.83 0.00 0.00 0.00 175.10 174.33 1brl s GLY 72 N -0.65 0.43 -0.33 4.51 0.00 0.27 -0.16 107.32 111.39 1brl s GLY 72 Ca -0.01 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 1brl s GLY 72 CO 0.00 -1.25 0.12 -0.51 0.00 0.00 0.00 173.10 171.45 1brl s THR 73 N -3.81 3.99 0.31 0.90 -4.23 -0.41 -0.87 115.64 111.51 1brl s THR 73 Ca 0.06 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1brl s THR 73 Cb 0.07 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 70.84 1brl s THR 73 CO -0.10 -0.12 1.81 0.00 -0.54 0.00 0.00 174.62 175.67 1brl h ALA 74 N 8.26 1.24 -1.66 3.99 0.00 -0.99 0.16 119.26 130.26 1brl h ALA 74 Ca -0.26 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.06 1brl h ALA 74 Cb 1.10 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.47 1brl h ALA 74 CO 0.61 0.50 -0.69 0.00 0.00 0.00 0.00 179.25 179.67 1brl s ALA 75 N -4.82 -0.60 -0.00 0.00 0.00 -1.06 -4.37 121.76 110.91 1brl s ALA 75 Ca -0.08 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1brl s ALA 75 Cb 0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1brl s ALA 75 CO 0.78 -2.13 1.00 0.42 0.00 0.00 0.00 175.76 175.83 1brl s ILE 76 N 0.79 4.79 -0.87 0.00 1.09 -0.19 -3.97 121.20 122.84 1brl s ILE 76 Ca 0.27 2.00 -0.25 0.00 -1.10 0.00 0.00 60.65 61.58 1brl s ILE 76 Cb -0.02 -4.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.10 1brl s ILE 76 CO -0.09 0.15 1.62 -0.69 -0.10 0.00 0.00 174.94 175.82 1brl s VAL 77 N 1.07 3.66 0.11 2.92 1.01 -1.26 -0.13 120.40 127.78 1brl s VAL 77 Ca 0.52 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1brl s VAL 77 Cb -0.22 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 1brl s VAL 77 CO 0.28 -1.49 1.38 0.25 0.00 0.00 0.00 175.10 175.52 1brl h LEU 78 N 14.82 -1.51 -0.27 3.92 5.85 -1.52 -3.30 115.31 133.31 1brl h LEU 78 Ca 0.01 0.23 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1brl h LEU 78 Cb 1.04 0.67 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 1brl h LEU 78 CO 1.31 -0.17 -0.15 -0.65 -0.34 0.00 0.00 178.44 178.43 1brl h PRO 79 N -0.02 -0.12 0.00 5.25 0.11 -1.83 -3.22 132.00 132.17 1brl h PRO 79 Ca 0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1brl h PRO 79 Cb 0.30 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1brl h PRO 79 CO -0.65 -0.08 0.21 0.25 -0.21 0.00 0.00 178.00 177.52 1brl n THR 80 N -5.32 1.11 -4.55 -1.15 -2.24 -1.24 -4.64 114.28 96.24 1brl n THR 80 Ca -0.00 0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 62.01 1brl n THR 80 Cb 0.24 -1.49 -0.11 0.00 -2.10 0.00 0.00 70.33 66.87 1brl n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1brl s ALA 81 N -2.54 2.87 -0.09 6.98 0.00 -1.22 -4.94 121.76 122.83 1brl s ALA 81 Ca 0.00 -2.20 -0.28 0.00 0.00 0.00 0.00 51.96 49.49 1brl s ALA 81 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1brl s ALA 81 CO 0.00 -0.16 0.91 -1.58 0.00 0.00 0.00 175.76 174.93 1brl s HIS 82 N -2.89 3.54 0.25 0.00 2.46 -1.26 -4.98 115.29 112.41 1brl s HIS 82 Ca 0.35 1.48 -0.03 0.00 0.47 0.00 0.00 55.06 57.33 1brl s HIS 82 Cb 0.09 -3.07 0.46 0.00 -0.13 0.00 0.00 32.58 29.93 1brl s HIS 82 CO 0.17 -0.13 1.77 -1.35 -2.47 0.00 0.00 174.74 172.74 1brl h PRO 83 N 7.03 0.63 0.27 2.88 0.10 -1.92 -0.39 132.00 140.59 1brl h PRO 83 Ca -0.35 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.72 1brl h PRO 83 Cb 1.17 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 32.11 1brl h PRO 83 CO 0.81 0.42 -0.27 0.28 0.10 0.00 0.00 178.00 179.34 1brl h VAL 84 N 0.65 0.43 -0.83 3.15 2.07 -1.96 0.33 116.25 120.10 1brl h VAL 84 Ca 0.42 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.07 1brl h VAL 84 Cb 0.53 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1brl h VAL 84 CO -0.32 0.00 0.54 0.03 0.02 0.00 0.00 177.57 177.84 1brl h ARG 85 N -0.57 0.65 -0.07 1.57 3.08 -1.84 -0.51 114.38 116.70 1brl h ARG 85 Ca -0.01 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 1brl h ARG 85 Cb 0.52 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1brl h ARG 85 CO -0.05 0.43 -0.82 1.96 -1.07 0.00 0.00 179.97 180.41 1brl h GLN 86 N 0.67 0.51 -0.05 0.04 4.20 -0.08 -2.61 115.11 117.79 1brl h GLN 86 Ca 0.40 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1brl h GLN 86 Cb 0.61 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1brl h GLN 86 CO -0.16 1.09 0.02 0.00 -0.67 0.00 0.00 178.83 179.11 1brl h ALA 87 N 0.76 0.06 -0.99 3.87 0.00 0.71 0.84 119.26 124.51 1brl h ALA 87 Ca -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1brl h ALA 87 Cb 1.43 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1brl h ALA 87 CO 0.15 -0.39 0.62 0.93 0.00 0.00 0.00 179.25 180.56 1brl h GLU 88 N -0.03 0.94 -0.23 0.00 5.08 -1.12 0.25 114.58 119.47 1brl h GLU 88 Ca 0.02 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1brl h GLU 88 Cb 0.10 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1brl h GLU 88 CO -0.00 0.62 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.99 1brl h ASP 89 N 0.97 0.56 -0.41 1.42 3.32 -1.23 -0.77 116.42 120.28 1brl h ASP 89 Ca 0.49 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1brl h ASP 89 Cb 0.50 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1brl h ASP 89 CO -0.27 0.91 -0.04 0.58 -1.72 0.00 0.00 179.24 178.70 1brl h VAL 90 N 0.22 1.27 -0.71 -1.35 2.07 -0.37 -1.79 116.25 115.59 1brl h VAL 90 Ca 0.04 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1brl h VAL 90 Cb 0.74 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1brl h VAL 90 CO 0.05 0.37 0.46 0.78 0.02 0.00 0.00 177.57 179.25 1brl h ASN 91 N 0.58 0.83 0.04 0.57 2.35 -0.91 0.27 115.58 119.31 1brl h ASN 91 Ca 0.11 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1brl h ASN 91 Cb 0.54 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1brl h ASN 91 CO 0.03 0.62 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.34 1brl h LEU 92 N 0.97 -0.04 -0.19 1.61 4.07 -1.11 -1.05 115.31 119.58 1brl h LEU 92 Ca 0.26 -0.49 0.05 0.00 0.08 0.00 0.00 57.88 57.78 1brl h LEU 92 Cb -0.08 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 41.60 1brl h LEU 92 CO -0.05 0.48 -0.44 0.25 -1.08 0.00 0.00 178.44 177.60 1brl h LEU 93 N -0.58 -1.39 -0.33 1.67 5.85 -0.98 1.75 115.31 121.30 1brl h LEU 93 Ca -0.00 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1brl h LEU 93 Cb 0.53 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1brl h LEU 93 CO 0.01 -0.42 0.15 -0.78 -0.34 0.00 0.00 178.44 177.06 1brl h ASP 94 N -0.47 0.22 -0.13 1.25 3.58 -0.50 0.36 116.42 120.73 1brl h ASP 94 Ca 0.08 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1brl h ASP 94 Cb 0.62 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1brl h ASP 94 CO -0.44 0.16 -0.16 -0.61 -2.88 0.00 0.00 179.24 175.31 1brl h GLN 95 N 0.32 0.34 -0.68 0.28 5.75 -0.71 0.31 115.11 120.72 1brl h GLN 95 Ca 0.14 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1brl h GLN 95 Cb 0.07 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1brl h GLN 95 CO -0.11 0.76 0.12 0.52 -2.65 0.00 0.00 178.83 177.47 1brl h MET 96 N -0.06 1.11 0.00 1.69 2.86 0.29 -2.82 114.93 118.01 1brl h MET 96 Ca 0.02 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1brl h MET 96 Cb 0.71 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1brl h MET 96 CO 0.04 1.01 0.00 0.66 1.06 0.00 0.00 176.91 179.68 1brl h SER 97 N 1.04 0.00 -3.92 1.22 4.64 -0.99 -3.48 113.55 112.07 1brl h SER 97 Ca 0.21 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.39 1brl h SER 97 Cb 0.43 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.61 1brl h SER 97 CO 0.01 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.87 1brl n LYS 98 N -2.78 -2.32 -1.07 4.77 5.02 -0.23 -3.87 118.16 117.68 1brl n LYS 98 Ca 0.04 0.41 -0.03 0.00 -2.02 0.00 0.00 58.31 56.72 1brl n LYS 98 Cb 0.45 -3.90 -0.01 0.00 -0.02 0.00 0.00 35.03 31.56 1brl n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brl n GLY 99 N -1.19 0.58 1.10 0.72 0.00 0.94 -4.96 105.19 102.38 1brl n GLY 99 Ca -0.10 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.48 1brl n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brl n ARG 100 N -2.57 2.75 -4.23 1.61 1.74 -1.25 -4.94 116.66 109.76 1brl n ARG 100 Ca -0.03 -1.76 -0.34 0.00 -0.77 0.00 0.00 57.85 54.96 1brl n ARG 100 Cb 0.13 -1.68 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 1brl n ARG 100 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1brl s PHE 101 N -1.76 3.16 -0.28 -1.55 5.36 -1.26 -1.71 117.98 119.94 1brl s PHE 101 Ca 0.31 -0.00 -0.07 0.00 -0.96 0.00 0.00 56.93 56.21 1brl s PHE 101 Cb 0.21 -1.96 -0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1brl s PHE 101 CO 0.14 0.20 0.08 1.03 -1.46 0.00 0.00 175.22 175.21 1brl s ARG 102 N -0.02 3.28 -1.29 10.12 1.81 0.77 -4.30 118.95 129.32 1brl s ARG 102 Ca 0.04 -0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 53.23 1brl s ARG 102 Cb -0.13 -3.36 0.15 0.00 -0.45 0.00 0.00 34.95 31.17 1brl s ARG 102 CO 0.02 -0.36 1.99 0.34 -0.68 0.00 0.00 175.30 176.60 1brl n PHE 103 N 4.89 2.85 -2.09 -0.53 7.35 0.28 -1.29 117.46 128.92 1brl n PHE 103 Ca -0.15 -2.79 -0.42 0.00 -0.76 0.00 0.00 57.45 53.32 1brl n PHE 103 Cb 0.49 -1.93 -0.03 0.00 0.35 0.00 0.00 39.48 38.36 1brl n PHE 103 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1brl s GLY 104 N 0.78 1.61 0.39 7.13 0.00 0.04 -3.13 107.32 114.14 1brl s GLY 104 Ca 0.42 0.88 0.08 0.00 0.00 0.00 0.00 44.72 46.10 1brl s GLY 104 CO -0.01 2.86 0.33 -0.26 0.00 0.00 0.00 173.10 176.02 1brl s ILE 105 N 3.56 2.92 0.21 0.90 -4.36 0.19 -1.02 121.20 123.60 1brl s ILE 105 Ca 0.69 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 59.54 1brl s ILE 105 Cb -0.32 -3.05 0.02 0.00 1.25 0.00 0.00 42.46 40.35 1brl s ILE 105 CO 0.27 -0.06 0.51 0.00 0.24 0.00 0.00 174.94 175.90 1brl h ARG 107 N 2.23 0.06 0.00 0.00 1.12 -1.82 -1.69 114.38 114.28 1brl h ARG 107 Ca -0.27 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1brl h ARG 107 Cb 1.25 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 1brl h ARG 107 CO 0.36 1.05 0.00 0.41 -3.11 0.00 0.00 179.97 178.68 1brl n GLY 108 N 1.57 3.04 0.16 2.80 0.00 -1.26 -4.39 105.19 107.10 1brl n GLY 108 Ca -0.22 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1brl n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1brl n LEU 109 N 0.00 2.35 -4.82 0.99 4.77 -1.26 -4.98 117.00 114.05 1brl n LEU 109 Ca 0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1brl n LEU 109 Cb 0.00 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1brl n LEU 109 CO 0.00 0.71 0.45 -0.31 -1.33 0.00 0.00 177.39 176.91 1brl s TYR 110 N -2.49 3.60 0.06 -1.77 1.51 -1.26 -4.95 117.35 112.05 1brl s TYR 110 Ca -0.35 1.41 -0.35 0.00 -1.01 0.00 0.00 57.07 56.77 1brl s TYR 110 Cb 0.12 -2.65 -0.20 0.00 -0.11 0.00 0.00 41.96 39.12 1brl s TYR 110 CO 0.51 0.26 1.58 -0.44 -1.11 0.00 0.00 175.55 176.36 1brl h ASP 111 N 3.14 -0.96 -0.36 2.29 3.32 -1.94 -3.23 116.42 118.68 1brl h ASP 111 Ca -0.48 0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1brl h ASP 111 Cb 1.19 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1brl h ASP 111 CO 0.65 -0.68 -0.16 2.29 -1.72 0.00 0.00 179.24 179.62 1brl n LYS 112 N -5.58 -0.10 -0.32 3.56 2.85 -1.26 0.23 118.16 117.53 1brl n LYS 112 Ca -0.15 0.55 0.18 0.00 -1.05 0.00 0.00 58.31 57.83 1brl n LYS 112 Cb 0.45 -0.81 0.38 0.00 -0.65 0.00 0.00 35.03 34.40 1brl n LYS 112 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1brl h ASP 113 N 0.00 0.44 0.15 -5.58 3.32 -1.92 -0.92 116.42 111.91 1brl h ASP 113 Ca 0.11 0.17 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 1brl h ASP 113 Cb 0.20 0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.89 1brl h ASP 113 CO -0.35 -0.03 -0.88 -0.26 -1.72 0.00 0.00 179.24 176.00 1brl h PHE 114 N 0.41 0.60 -0.12 4.55 -1.00 0.27 -2.07 116.94 119.58 1brl h PHE 114 Ca 0.64 -0.43 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 1brl h PHE 114 Cb 1.30 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.82 1brl h PHE 114 CO -0.08 1.33 -0.01 0.00 -1.61 0.00 0.00 178.31 177.94 1brl h ARG 115 N -0.30 0.16 0.08 1.51 2.47 -0.52 -1.25 114.38 116.54 1brl h ARG 115 Ca -0.15 -0.02 -0.30 0.00 -1.26 0.00 0.00 59.98 58.25 1brl h ARG 115 Cb 1.69 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.96 1brl h ARG 115 CO 0.16 0.19 -1.59 0.28 0.56 0.00 0.00 179.97 179.57 1brl h VAL 116 N 0.16 0.84 0.00 2.04 2.07 -1.32 -3.33 116.25 116.71 1brl h VAL 116 Ca 0.04 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1brl h VAL 116 Cb 0.13 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1brl h VAL 116 CO 0.00 0.66 0.00 0.49 0.02 0.00 0.00 177.57 178.74 1brl n PHE 117 N -3.91 0.00 -3.63 1.57 3.72 -0.78 -4.91 117.46 109.52 1brl n PHE 117 Ca -0.30 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.87 1brl n PHE 117 Cb 0.89 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.44 1brl n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1brl n GLY 118 N 0.55 -0.63 3.59 1.37 0.00 -0.52 -4.98 105.19 104.58 1brl n GLY 118 Ca 0.18 0.29 -0.25 0.00 0.00 0.00 0.00 46.02 46.24 1brl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1brl s THR 119 N -3.58 3.22 -0.45 2.61 2.01 -0.89 -5.03 115.64 113.53 1brl s THR 119 Ca 0.21 -1.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.11 1brl s THR 119 Cb -0.06 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1brl s THR 119 CO 0.82 -0.24 1.99 -0.62 -0.69 0.00 0.00 174.62 175.87 1brl s ASP 120 N -3.21 5.34 0.21 3.53 -1.08 -1.26 -4.77 116.67 115.43 1brl s ASP 120 Ca 0.28 0.99 -0.09 0.00 -0.52 0.00 0.00 52.55 53.21 1brl s ASP 120 Cb -0.07 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.17 1brl s ASP 120 CO 0.17 -2.20 1.71 -0.03 0.52 0.00 0.00 175.17 175.34 1brl h MET 121 N 15.15 0.27 0.12 4.34 4.05 -1.95 -3.27 114.93 133.66 1brl h MET 121 Ca -0.30 -0.02 -0.28 0.00 -0.28 0.00 0.00 59.70 58.82 1brl h MET 121 Cb 1.19 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1brl h MET 121 CO 1.11 0.18 -1.33 -0.44 0.23 0.00 0.00 176.91 176.66 1brl h ASP 122 N 0.28 0.41 0.02 1.39 5.19 -2.03 -3.31 116.42 118.38 1brl h ASP 122 Ca 0.32 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1brl h ASP 122 Cb 0.47 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1brl h ASP 122 CO -0.40 1.38 0.00 0.59 -3.12 0.00 0.00 179.24 177.69 1brl n ASN 123 N -3.50 0.00 -0.08 6.45 5.03 -1.23 -4.44 115.26 117.49 1brl n ASN 123 Ca -0.11 -0.53 0.05 0.00 0.87 0.00 0.00 54.58 54.87 1brl n ASN 123 Cb 1.03 -0.02 0.10 0.00 -1.02 0.00 0.00 39.78 39.87 1brl n ASN 123 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1brl n SER 124 N -1.02 0.02 0.06 6.41 3.41 -1.24 0.64 113.62 121.90 1brl n SER 124 Ca 0.13 0.38 -0.16 0.00 -0.26 0.00 0.00 58.87 58.97 1brl n SER 124 Cb 0.07 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1brl n SER 124 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1brl h ARG 125 N 0.00 0.22 0.89 4.33 0.11 -1.93 -3.12 114.38 114.88 1brl h ARG 125 Ca 0.16 -0.37 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 1brl h ARG 125 Cb 0.38 0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.61 1brl h ARG 125 CO -0.20 1.08 -0.43 0.00 0.10 0.00 0.00 179.97 180.52 1brl h ALA 126 N 0.56 -1.20 -0.06 0.08 0.00 -0.14 0.23 119.26 118.73 1brl h ALA 126 Ca -0.22 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1brl h ALA 126 Cb 1.99 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1brl h ALA 126 CO 0.16 -1.15 -0.07 -0.07 0.00 0.00 0.00 179.25 178.12 1brl h LEU 127 N -1.24 -0.24 -0.88 0.00 4.07 -1.45 0.96 115.31 116.53 1brl h LEU 127 Ca -0.12 0.03 0.23 0.00 0.08 0.00 0.00 57.88 58.10 1brl h LEU 127 Cb 0.92 0.10 -0.14 0.00 1.08 0.00 0.00 40.66 42.62 1brl h LEU 127 CO 0.20 -0.05 0.24 -0.03 -1.08 0.00 0.00 178.44 177.72 1brl h MET 128 N -0.04 0.21 -0.45 1.13 1.85 -1.53 0.71 114.93 116.80 1brl h MET 128 Ca 0.01 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1brl h MET 128 Cb 0.07 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 1brl h MET 128 CO -0.08 0.14 0.14 0.22 -0.40 0.00 0.00 176.91 176.93 1brl h ASP 129 N 0.21 0.65 0.06 1.39 3.58 0.56 -2.48 116.42 120.39 1brl h ASP 129 Ca 0.55 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1brl h ASP 129 Cb 1.10 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1brl h ASP 129 CO -0.65 0.68 -0.03 0.00 -2.88 0.00 0.00 179.24 176.36 1brl h TRP 131 N -0.64 0.07 -0.78 0.00 -0.00 0.10 0.42 115.95 115.12 1brl h TRP 131 Ca -0.01 0.04 0.13 0.00 -0.00 0.00 0.00 58.89 59.06 1brl h TRP 131 Cb 0.55 0.07 -0.09 0.00 -0.00 0.00 0.00 29.16 29.69 1brl h TRP 131 CO 0.11 -0.14 0.37 -0.92 -0.00 0.00 0.00 178.44 177.86 1brl h TYR 132 N 0.17 0.65 0.42 0.49 3.20 -1.47 -1.38 116.97 119.05 1brl h TYR 132 Ca 0.36 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1brl h TYR 132 Cb 0.59 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1brl h TYR 132 CO -0.33 0.16 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.70 1brl h ASP 133 N 0.56 -0.48 -0.52 -2.11 3.32 0.01 0.24 116.42 117.44 1brl h ASP 133 Ca 0.42 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.49 1brl h ASP 133 Cb 0.57 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.14 1brl h ASP 133 CO -0.35 -0.20 -0.21 -0.07 -1.72 0.00 0.00 179.24 176.68 1brl h LEU 134 N -0.76 -0.74 -0.66 1.55 3.38 -1.15 0.71 115.31 117.64 1brl h LEU 134 Ca -0.06 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1brl h LEU 134 Cb 0.53 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1brl h LEU 134 CO 0.10 -0.24 0.37 0.24 0.09 0.00 0.00 178.44 179.00 1brl h MET 135 N -0.09 0.67 0.36 1.13 2.86 -1.21 0.20 114.93 118.86 1brl h MET 135 Ca 0.24 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1brl h MET 135 Cb 0.47 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1brl h MET 135 CO -0.58 0.44 -0.46 -0.22 1.06 0.00 0.00 176.91 177.16 1brl h LYS 136 N 0.69 -0.83 -0.72 1.72 1.63 0.31 -0.67 116.57 118.70 1brl h LYS 136 Ca 0.29 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.28 1brl h LYS 136 Cb 0.16 0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 31.89 1brl h LYS 136 CO -0.17 -0.55 0.27 1.49 -3.45 0.00 0.00 179.45 177.04 1brl h GLU 137 N -0.86 0.40 -0.56 1.90 4.81 0.10 0.57 114.58 120.95 1brl h GLU 137 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1brl h GLU 137 Cb 0.78 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1brl h GLU 137 CO -0.12 0.27 0.35 0.78 -0.73 0.00 0.00 179.01 179.56 1brl h GLY 138 N 0.41 0.80 1.56 1.92 0.00 -0.21 -2.39 103.07 105.15 1brl h GLY 138 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1brl h GLY 138 CO -0.40 0.30 0.22 0.74 0.00 0.00 0.00 176.54 177.40 1brl h PHE 139 N 0.76 0.00 0.00 5.60 0.04 0.17 -2.50 116.94 121.02 1brl h PHE 139 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1brl h PHE 139 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1brl h PHE 139 CO 0.00 0.00 0.00 0.27 -0.60 0.00 0.00 178.31 177.98 1brl n ASN 140 N -2.93 0.00 -0.07 2.17 0.23 -1.14 -3.91 115.26 109.60 1brl n ASN 140 Ca -0.02 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.93 1brl n ASN 140 Cb 0.27 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.91 1brl n ASN 140 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1brl h GLU 141 N 0.00 0.00 0.00 -3.83 4.39 -1.50 -3.49 114.58 110.15 1brl h GLU 141 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1brl h GLU 141 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1brl h GLU 141 CO 0.00 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.73 1brl n GLY 142 N 1.62 0.91 3.43 -3.84 0.00 -0.94 -5.07 105.19 101.30 1brl n GLY 142 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1brl n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1brl s TYR 143 N -2.00 1.91 -0.09 1.61 1.51 -1.26 -1.21 117.35 117.82 1brl s TYR 143 Ca 0.00 -0.87 -0.19 0.00 -1.01 0.00 0.00 57.07 55.00 1brl s TYR 143 Cb 0.00 -1.19 0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1brl s TYR 143 CO 0.00 0.09 0.45 0.42 -1.11 0.00 0.00 175.55 175.40 1brl s ILE 144 N -3.22 0.02 0.36 2.71 1.01 -1.23 -2.57 121.20 118.28 1brl s ILE 144 Ca 0.33 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 1brl s ILE 144 Cb 0.07 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1brl s ILE 144 CO 0.13 -0.10 0.71 0.00 0.00 0.00 0.00 174.94 175.68 1brl s ALA 145 N -0.65 -0.53 0.00 9.38 0.00 -1.26 -2.79 121.76 125.90 1brl s ALA 145 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1brl s ALA 145 Cb -0.03 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1brl s ALA 145 CO 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 175.76 174.84 1brl n ALA 146 N -0.52 0.00 0.00 0.00 0.00 -0.96 -4.89 120.51 114.14 1brl n ALA 146 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1brl n ALA 146 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1brl n ALA 146 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1brl n ASP 147 N 0.00 0.00 -3.56 0.00 -0.08 -1.04 -4.94 116.55 106.93 1brl n ASP 147 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1brl n ASP 147 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1brl n ASP 147 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1brl s ASN 148 N -0.50 -0.04 0.18 1.67 4.22 -1.23 -5.02 114.94 114.21 1brl s ASN 148 Ca 0.00 -0.46 0.21 0.00 -2.14 0.00 0.00 52.86 50.47 1brl s ASN 148 Cb 0.00 0.39 0.87 0.00 1.28 0.00 0.00 41.25 43.78 1brl s ASN 148 CO 0.00 -0.75 1.64 1.21 -2.04 0.00 0.00 177.10 177.16 1brl n GLU 149 N -0.65 0.13 0.00 3.55 0.00 -1.26 -4.04 120.64 118.37 1brl n GLU 149 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 57.16 57.49 1brl n GLU 149 Cb 0.60 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1brl n GLU 149 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1brl n HIS 150 N -2.00 0.00 -4.52 4.31 -0.00 -1.26 -5.02 115.22 106.73 1brl n HIS 150 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.51 1brl n HIS 150 Cb 0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.10 1brl n HIS 150 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1brl s ILE 151 N 0.00 1.53 -0.19 1.59 -4.36 -1.26 -5.10 121.20 113.42 1brl s ILE 151 Ca 0.00 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.34 1brl s ILE 151 Cb 0.00 -2.86 0.09 0.00 1.25 0.00 0.00 42.46 40.94 1brl s ILE 151 CO 0.00 -0.01 0.30 -0.54 0.24 0.00 0.00 174.94 174.93 1brl s LYS 152 N -3.81 0.23 -0.12 0.37 1.02 -1.26 -2.50 119.74 113.67 1brl s LYS 152 Ca 0.36 0.56 -0.14 0.00 0.02 0.00 0.00 55.97 56.77 1brl s LYS 152 Cb 0.09 -0.46 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1brl s LYS 152 CO 0.16 -0.49 0.38 -0.59 -0.92 0.00 0.00 175.35 173.90 1brl s PHE 153 N 2.45 -0.39 0.72 3.18 -0.12 -1.26 -4.98 117.98 117.57 1brl s PHE 153 Ca 0.06 0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 57.73 1brl s PHE 153 Cb -0.14 0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 1brl s PHE 153 CO -0.12 -0.25 1.07 -1.25 -0.05 0.00 0.00 175.22 174.62 1brl s PRO 154 N -0.12 2.75 0.06 1.99 0.04 -1.26 -2.27 135.00 136.19 1brl s PRO 154 Ca -0.03 0.72 -0.36 0.00 0.04 0.00 0.00 61.00 61.37 1brl s PRO 154 Cb -0.03 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1brl s PRO 154 CO 0.02 -1.17 1.49 1.17 0.04 0.00 0.00 177.00 178.54 1brl n LYS 155 N -3.14 1.53 -4.30 4.56 4.81 -1.25 -4.68 118.16 115.69 1brl n LYS 155 Ca 0.07 0.55 -0.16 0.00 -0.87 0.00 0.00 58.31 57.91 1brl n LYS 155 Cb 0.55 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.25 1brl n LYS 155 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1brl s ILE 156 N 1.15 0.72 0.28 3.15 -5.25 -1.12 -5.00 121.20 115.13 1brl s ILE 156 Ca 0.85 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 58.45 1brl s ILE 156 Cb -0.86 -2.40 -0.05 0.00 2.95 0.00 0.00 42.46 42.10 1brl s ILE 156 CO 0.46 -0.24 0.56 -1.58 -1.79 0.00 0.00 174.94 172.35 1brl s GLN 157 N -3.95 3.65 -0.13 0.37 0.74 -1.26 -3.53 119.66 115.55 1brl s GLN 157 Ca 0.31 0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.78 1brl s GLN 157 Cb 0.07 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.55 1brl s GLN 157 CO 0.09 0.22 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.72 1brl s LEU 158 N -3.48 1.80 0.05 3.68 2.96 -0.35 -4.94 118.68 118.41 1brl s LEU 158 Ca 0.44 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.96 1brl s LEU 158 Cb -0.11 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 1brl s LEU 158 CO 0.29 0.01 -0.24 0.20 -1.32 0.00 0.00 176.35 175.29 1brl s ASN 159 N 1.08 2.88 0.42 3.68 -0.87 -1.26 -4.43 114.94 116.44 1brl s ASN 159 Ca -0.04 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 1brl s ASN 159 Cb -0.14 -0.25 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 1brl s ASN 159 CO -0.04 0.21 0.00 -0.81 -2.57 0.00 0.00 177.10 173.89 1brl n PRO 160 N 1.76 0.83 -3.49 -0.60 -0.04 -1.26 -4.60 135.00 127.59 1brl n PRO 160 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1brl n PRO 160 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1brl n PRO 160 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1brl s SER 161 N -1.00 6.76 0.18 3.54 0.01 -1.26 -4.90 113.70 117.02 1brl s SER 161 Ca 0.00 0.93 -0.31 0.00 1.31 0.00 0.00 55.95 57.88 1brl s SER 161 Cb 0.00 -2.24 -0.17 0.00 0.21 0.00 0.00 66.02 63.83 1brl s SER 161 CO 0.00 0.22 0.87 0.00 0.41 0.00 0.00 173.24 174.74 1brl n ALA 162 N 1.26 -1.95 -0.09 1.44 0.00 -1.26 -4.85 120.51 115.05 1brl n ALA 162 Ca -0.10 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.63 1brl n ALA 162 Cb 0.52 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 1brl n ALA 162 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1brl h TYR 163 N 2.13 0.00 -3.38 0.00 3.20 -1.85 -3.44 116.97 113.62 1brl h TYR 163 Ca -0.38 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 60.90 1brl h TYR 163 Cb 1.39 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.57 1brl h TYR 163 CO 0.49 1.22 0.24 0.99 -1.64 0.00 0.00 178.16 179.45 1brl s THR 164 N -2.28 4.96 -0.27 1.81 2.01 -1.26 -4.97 115.64 115.63 1brl s THR 164 Ca -0.24 1.34 -0.41 0.00 0.31 0.00 0.00 61.69 62.70 1brl s THR 164 Cb 0.02 -4.01 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 1brl s THR 164 CO 0.60 0.06 1.67 1.67 -0.69 0.00 0.00 174.62 177.93 1brl n GLN 165 N 5.29 0.95 -0.99 4.92 7.27 -1.26 0.09 117.38 133.65 1brl n GLN 165 Ca 0.01 0.35 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1brl n GLN 165 Cb 0.49 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.14 1brl n GLN 165 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1brl n GLY 166 N 3.95 0.81 0.00 1.69 0.00 -1.25 -4.86 105.19 105.52 1brl n GLY 166 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1brl n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brl n GLY 167 N -2.38 0.95 3.74 -0.02 0.00 0.11 -4.77 105.19 102.83 1brl n GLY 167 Ca 0.00 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 1brl n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brl s ALA 168 N -1.67 2.39 0.19 4.61 0.00 -1.26 -4.73 121.76 121.29 1brl s ALA 168 Ca 0.00 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 1brl s ALA 168 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 1brl s ALA 168 CO 0.00 -1.44 1.69 -2.30 0.00 0.00 0.00 175.76 173.72 1brl n PRO 169 N -2.01 2.61 -4.28 0.00 -0.02 -1.26 -4.79 135.00 125.25 1brl n PRO 169 Ca 0.14 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 62.22 1brl n PRO 169 Cb 0.50 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.12 1brl n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1brl s VAL 170 N 1.21 4.39 0.06 -1.45 1.01 -1.26 -0.56 120.40 123.81 1brl s VAL 170 Ca 0.77 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1brl s VAL 170 Cb -0.55 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1brl s VAL 170 CO 0.34 0.50 -0.12 -0.31 0.00 0.00 0.00 175.10 175.52 1brl s TYR 171 N -0.99 1.03 -0.07 5.22 1.51 -1.18 -3.88 117.35 118.98 1brl s TYR 171 Ca 0.17 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1brl s TYR 171 Cb -0.11 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1brl s TYR 171 CO 0.06 0.01 -0.24 0.08 -1.11 0.00 0.00 175.55 174.35 1brl s VAL 172 N -1.42 2.00 -0.52 0.71 1.01 -0.90 0.55 120.40 121.83 1brl s VAL 172 Ca -0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1brl s VAL 172 Cb -0.09 -1.71 0.10 0.00 0.00 0.00 0.00 36.38 34.68 1brl s VAL 172 CO 0.01 0.55 0.51 0.68 0.00 0.00 0.00 175.10 176.86 1brl s VAL 173 N 0.03 5.12 -0.08 2.92 -7.23 -0.59 -1.25 120.40 119.32 1brl s VAL 173 Ca -0.09 -1.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1brl s VAL 173 Cb -0.15 -4.28 0.01 0.00 0.56 0.00 0.00 36.38 32.51 1brl s VAL 173 CO 0.05 -0.80 -0.16 0.00 -0.31 0.00 0.00 175.10 173.89 1brl s ALA 174 N 1.91 1.56 -0.01 1.32 0.00 -1.13 -4.65 121.76 120.76 1brl s ALA 174 Ca 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1brl s ALA 174 Cb -0.26 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1brl s ALA 174 CO 0.06 0.12 -0.03 -1.91 0.00 0.00 0.00 175.76 173.99 1brl n GLU 175 N 3.82 0.05 -0.80 0.00 2.13 -1.26 -4.65 120.64 119.93 1brl n GLU 175 Ca -0.21 0.02 -0.33 0.00 0.66 0.00 0.00 57.16 57.30 1brl n GLU 175 Cb 0.52 -0.39 0.12 0.00 0.27 0.00 0.00 31.44 31.95 1brl n GLU 175 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1brl n SER 176 N -2.79 -2.30 -0.00 4.31 2.88 -1.26 -4.82 113.62 109.63 1brl n SER 176 Ca -0.01 0.31 0.11 0.00 -1.33 0.00 0.00 58.87 57.94 1brl n SER 176 Cb 0.05 -1.18 -0.14 0.00 -0.75 0.00 0.00 64.21 62.20 1brl n SER 176 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1brl n ALA 177 N -3.56 3.51 0.04 -1.46 0.00 -1.26 -1.80 120.51 115.97 1brl n ALA 177 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1brl n ALA 177 Cb 0.54 -0.78 0.32 0.00 0.00 0.00 0.00 19.45 19.53 1brl n ALA 177 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1brl h SER 178 N 0.00 0.40 0.42 0.00 4.64 -1.99 0.18 113.55 117.20 1brl h SER 178 Ca 0.00 -0.08 -0.25 0.00 -0.47 0.00 0.00 61.79 60.99 1brl h SER 178 Cb 0.81 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1brl h SER 178 CO 0.00 0.52 -1.06 0.74 -0.87 0.00 0.00 176.83 176.16 1brl h THR 179 N 0.40 1.43 -0.51 2.95 2.02 -1.94 -0.58 112.91 116.68 1brl h THR 179 Ca 0.08 -2.65 -0.00 0.00 0.77 0.00 0.00 66.41 64.62 1brl h THR 179 Cb 0.38 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1brl h THR 179 CO 0.02 0.78 0.31 0.74 0.37 0.00 0.00 175.52 177.74 1brl h THR 180 N 0.18 1.14 0.18 3.16 2.02 -0.39 -1.91 112.91 117.30 1brl h THR 180 Ca -0.10 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1brl h THR 180 Cb 1.72 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1brl h THR 180 CO 0.18 0.15 -0.09 -0.33 0.37 0.00 0.00 175.52 175.80 1brl h GLU 181 N 0.70 -0.24 -0.71 6.66 5.08 -0.59 -2.66 114.58 122.83 1brl h GLU 181 Ca 0.19 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.72 1brl h GLU 181 Cb -0.04 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.14 1brl h GLU 181 CO -0.04 0.10 -0.00 2.35 -1.00 0.00 0.00 179.01 180.42 1brl h TRP 182 N -0.60 -0.06 0.61 4.33 7.01 -0.53 0.11 115.95 126.82 1brl h TRP 182 Ca -0.02 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1brl h TRP 182 Cb 0.44 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1brl h TRP 182 CO 0.03 -0.22 -0.42 0.00 -2.79 0.00 0.00 178.44 175.04 1brl h ALA 183 N 1.67 -1.19 -0.82 2.65 0.00 -1.38 -2.90 119.26 117.29 1brl h ALA 183 Ca 0.38 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.29 1brl h ALA 183 Cb 0.66 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1brl h ALA 183 CO -0.63 -1.17 0.07 0.00 0.00 0.00 0.00 179.25 177.53 1brl h ALA 184 N -1.22 0.96 -0.59 0.00 0.00 -1.00 1.51 119.26 118.92 1brl h ALA 184 Ca -0.08 0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1brl h ALA 184 Cb 0.81 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1brl h ALA 184 CO 0.05 -0.45 0.54 0.93 0.00 0.00 0.00 179.25 180.32 1brl h GLU 185 N 0.12 0.00 -0.04 0.00 5.08 -0.60 0.60 114.58 119.75 1brl h GLU 185 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1brl h GLU 185 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1brl h GLU 185 CO -0.69 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 177.86 1brl n ARG 186 N -3.91 0.53 -3.61 2.33 1.74 0.23 -5.01 116.66 108.95 1brl n ARG 186 Ca 0.12 -1.02 -0.29 0.00 -0.77 0.00 0.00 57.85 55.88 1brl n ARG 186 Cb 0.76 -1.09 0.05 0.00 -1.02 0.00 0.00 32.46 31.16 1brl n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1brl n GLY 187 N 0.15 -1.02 3.90 -0.13 0.00 0.45 -4.98 105.19 103.56 1brl n GLY 187 Ca 0.03 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 1brl n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1brl s LEU 188 N -6.31 4.30 0.95 0.99 1.43 -0.98 -4.96 118.68 114.10 1brl s LEU 188 Ca 0.48 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1brl s LEU 188 Cb -0.15 -3.17 0.16 0.00 0.03 0.00 0.00 46.19 43.06 1brl s LEU 188 CO 0.84 0.10 1.12 -2.84 0.23 0.00 0.00 176.35 175.80 1brl s PRO 189 N -2.53 0.83 0.14 1.29 0.02 -1.25 -4.73 135.00 128.77 1brl s PRO 189 Ca 0.38 0.39 -0.15 0.00 0.02 0.00 0.00 61.00 61.64 1brl s PRO 189 Cb -0.12 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1brl s PRO 189 CO 0.25 -2.43 0.41 0.00 -0.33 0.00 0.00 177.00 174.89 1brl s MET 190 N -5.14 1.14 -0.16 5.54 0.23 -1.25 -2.11 119.30 117.54 1brl s MET 190 Ca 0.64 -0.80 -0.04 0.00 -1.03 0.00 0.00 55.69 54.46 1brl s MET 190 Cb -0.16 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 1brl s MET 190 CO 0.55 -0.45 -0.03 0.42 -2.03 0.00 0.00 175.02 173.48 1brl s ILE 191 N -3.84 3.88 -0.17 3.16 1.01 -0.38 0.28 121.20 125.15 1brl s ILE 191 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 1brl s ILE 191 Cb 0.02 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1brl s ILE 191 CO -0.09 0.48 0.14 -0.76 0.00 0.00 0.00 174.94 174.71 1brl s LEU 192 N 0.50 4.26 0.95 2.97 1.43 -0.17 -2.84 118.68 125.78 1brl s LEU 192 Ca -0.03 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 1brl s LEU 192 Cb -0.14 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1brl s LEU 192 CO 0.03 0.24 0.35 -0.24 0.23 0.00 0.00 176.35 176.96 1brl n SER 193 N 3.09 -2.25 -0.54 2.29 2.88 -1.26 -3.33 113.62 114.50 1brl n SER 193 Ca -0.17 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.75 1brl n SER 193 Cb 0.53 -1.19 0.11 0.00 -0.75 0.00 0.00 64.21 62.91 1brl n SER 193 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1brl n TRP 194 N -3.51 0.28 0.03 0.66 4.27 -1.25 -4.37 117.44 113.54 1brl n TRP 194 Ca 0.06 -0.32 0.02 0.00 -3.89 0.00 0.00 57.50 53.37 1brl n TRP 194 Cb 0.54 -0.02 -0.08 0.00 -1.36 0.00 0.00 31.31 30.38 1brl n TRP 194 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1brl n ILE 195 N 0.51 1.02 -2.70 -1.67 5.41 -1.26 -4.81 119.36 115.85 1brl n ILE 195 Ca 0.09 -0.67 -0.22 0.00 1.00 0.00 0.00 62.75 62.96 1brl n ILE 195 Cb 0.36 -0.59 0.07 0.00 -0.71 0.00 0.00 39.64 38.77 1brl n ILE 195 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1brl s ILE 196 N -3.01 2.34 0.37 1.39 -4.36 -1.26 -4.96 121.20 111.71 1brl s ILE 196 Ca -0.04 -0.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.67 1brl s ILE 196 Cb 0.09 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1brl s ILE 196 CO 0.82 0.00 0.07 -0.46 0.24 0.00 0.00 174.94 175.61 1brl n ASN 197 N -2.54 1.96 -0.37 4.36 0.23 -1.26 -4.93 115.26 112.71 1brl n ASN 197 Ca 0.13 -2.82 -0.06 0.00 -0.53 0.00 0.00 54.58 51.30 1brl n ASN 197 Cb 0.60 0.64 -0.02 0.00 -2.08 0.00 0.00 39.78 38.92 1brl n ASN 197 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1brl h THR 198 N 1.42 0.01 0.32 5.53 2.02 -1.97 1.83 112.91 122.08 1brl h THR 198 Ca -0.30 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1brl h THR 198 Cb 1.03 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1brl h THR 198 CO 0.48 0.00 -0.15 0.45 0.37 0.00 0.00 175.52 176.67 1brl h HIS 199 N -0.03 -0.39 -0.83 3.16 3.86 -1.97 0.33 115.15 119.27 1brl h HIS 199 Ca 0.26 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.64 1brl h HIS 199 Cb 0.52 0.13 -0.12 0.00 1.06 0.00 0.00 27.41 29.01 1brl h HIS 199 CO -0.91 -0.22 0.32 0.93 0.86 0.00 0.00 177.93 178.90 1brl h GLU 200 N -0.46 0.37 0.50 2.45 5.08 -1.36 0.60 114.58 121.76 1brl h GLU 200 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1brl h GLU 200 Cb 0.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1brl h GLU 200 CO 0.07 0.24 -0.24 0.87 -1.00 0.00 0.00 179.01 178.95 1brl h LYS 201 N 0.38 -0.65 -1.04 2.33 1.57 0.31 -1.82 116.57 117.66 1brl h LYS 201 Ca 0.49 0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.58 1brl h LYS 201 Cb 0.88 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.24 1brl h LYS 201 CO -0.50 -0.40 0.66 -0.22 -0.57 0.00 0.00 179.45 178.41 1brl h LYS 202 N -1.15 0.42 0.00 3.15 3.11 0.24 0.60 116.57 122.93 1brl h LYS 202 Ca -0.07 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.68 1brl h LYS 202 Cb 0.54 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1brl h LYS 202 CO 0.11 0.27 -0.33 0.00 -2.81 0.00 0.00 179.45 176.69 1brl h ALA 203 N 1.64 1.01 0.00 5.00 0.00 0.21 -2.80 119.26 124.32 1brl h ALA 203 Ca 0.60 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 1brl h ALA 203 Cb 1.46 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1brl h ALA 203 CO -0.33 0.42 -0.97 0.37 0.00 0.00 0.00 179.25 178.74 1brl h GLN 204 N 0.00 0.48 0.01 0.00 4.15 0.11 -3.25 115.11 116.60 1brl h GLN 204 Ca -0.00 -0.52 0.01 0.00 0.77 0.00 0.00 58.65 58.90 1brl h GLN 204 Cb 0.85 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1brl h GLN 204 CO 0.04 1.16 -0.18 -0.07 -1.93 0.00 0.00 178.83 177.85 1brl h LEU 205 N 0.27 -0.56 -0.82 -2.39 4.07 -1.03 0.51 115.31 115.36 1brl h LEU 205 Ca -0.09 0.06 0.16 0.00 0.08 0.00 0.00 57.88 58.09 1brl h LEU 205 Cb 1.61 0.21 -0.15 0.00 1.08 0.00 0.00 40.66 43.41 1brl h LEU 205 CO 0.17 -0.18 -0.23 0.47 -1.08 0.00 0.00 178.44 177.60 1brl n ASP 206 N -3.50 -0.34 -0.02 -0.43 8.00 -1.12 0.35 116.55 119.49 1brl n ASP 206 Ca -0.03 1.41 -0.09 0.00 0.71 0.00 0.00 54.79 56.79 1brl n ASP 206 Cb 0.14 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1brl n ASP 206 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1brl h LEU 207 N 0.00 -0.13 -0.48 0.64 5.85 -1.50 0.14 115.31 119.83 1brl h LEU 207 Ca 0.37 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.18 1brl h LEU 207 Cb 0.58 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1brl h LEU 207 CO -0.84 -0.05 0.22 0.22 -0.34 0.00 0.00 178.44 177.66 1brl h TYR 208 N 0.00 0.41 -0.10 1.25 3.20 0.82 -3.17 116.97 119.38 1brl h TYR 208 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1brl h TYR 208 Cb 0.10 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1brl h TYR 208 CO -0.18 0.19 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.48 1brl h ASN 209 N 0.44 -0.43 0.00 -2.11 2.35 0.16 -1.59 115.58 114.40 1brl h ASN 209 Ca 0.21 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1brl h ASN 209 Cb 0.15 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1brl h ASN 209 CO -0.17 -0.19 0.04 -0.62 -1.65 0.00 0.00 177.43 174.84 1brl n GLU 210 N -5.28 0.09 -0.11 0.81 1.02 -0.07 -0.13 120.64 116.97 1brl n GLU 210 Ca -0.03 0.58 -0.19 0.00 -0.02 0.00 0.00 57.16 57.50 1brl n GLU 210 Cb 0.20 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1brl n GLU 210 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1brl n VAL 211 N -1.99 1.51 -0.31 2.62 0.31 -1.10 -3.14 118.33 116.22 1brl n VAL 211 Ca -0.01 -0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.39 1brl n VAL 211 Cb 0.06 -2.12 0.33 0.00 -0.91 0.00 0.00 33.84 31.20 1brl n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1brl h ALA 212 N -0.91 1.50 -0.02 3.52 0.00 -0.59 0.18 119.26 122.95 1brl h ALA 212 Ca -0.34 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1brl h ALA 212 Cb 1.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1brl h ALA 212 CO -0.20 -0.37 -0.07 1.15 0.00 0.00 0.00 179.25 179.75 1brl h THR 213 N 0.39 1.51 -0.35 0.00 2.02 -0.72 0.16 112.91 115.92 1brl h THR 213 Ca 0.58 -1.61 0.10 0.00 0.77 0.00 0.00 66.41 66.25 1brl h THR 213 Cb 1.14 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 1brl h THR 213 CO -0.55 0.43 0.53 -0.33 0.37 0.00 0.00 175.52 175.97 1brl h GLU 214 N -0.55 0.00 -0.49 6.66 5.08 -0.70 1.29 114.58 125.87 1brl h GLU 214 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1brl h GLU 214 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1brl h GLU 214 CO 0.02 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 1brl n HIS 215 N -3.38 1.07 -1.26 4.33 8.25 0.16 -4.99 115.22 119.40 1brl n HIS 215 Ca 0.06 -0.63 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 1brl n HIS 215 Cb 0.67 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 1brl n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1brl n GLY 216 N 0.66 1.07 3.88 -1.41 0.00 0.44 -5.04 105.19 104.80 1brl n GLY 216 Ca 0.21 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1brl n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1brl s TYR 217 N -2.31 3.59 -0.76 1.61 2.02 0.53 -4.99 117.35 117.04 1brl s TYR 217 Ca 0.00 1.15 -0.16 0.00 -0.37 0.00 0.00 57.07 57.69 1brl s TYR 217 Cb 0.00 -2.59 0.17 0.00 -0.40 0.00 0.00 41.96 39.15 1brl s TYR 217 CO 0.00 -0.53 0.77 0.34 -1.57 0.00 0.00 175.55 174.56 1brl s ASP 218 N -4.06 6.56 0.00 2.29 2.15 -1.26 -4.59 116.67 117.77 1brl s ASP 218 Ca 0.53 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 51.24 1brl s ASP 218 Cb -0.11 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1brl s ASP 218 CO 0.49 -0.77 0.71 1.33 -0.17 0.00 0.00 175.17 176.75 1brl n VAL 219 N 4.64 0.98 0.03 1.11 0.24 -1.26 -0.98 118.33 123.09 1brl n VAL 219 Ca 0.07 0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 62.56 1brl n VAL 219 Cb 0.45 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 1brl n VAL 219 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1brl h THR 220 N 0.00 1.35 0.00 3.34 2.02 -2.03 -3.37 112.91 114.22 1brl h THR 220 Ca 0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1brl h THR 220 Cb 0.13 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1brl h THR 220 CO 0.00 0.63 -1.86 0.29 0.37 0.00 0.00 175.52 174.95 1brl n LYS 221 N -3.87 0.60 -1.66 6.66 5.02 -0.15 -4.96 118.16 119.80 1brl n LYS 221 Ca -0.05 -0.17 -0.47 0.00 -2.02 0.00 0.00 58.31 55.60 1brl n LYS 221 Cb 0.71 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1brl n LYS 221 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1brl n ILE 222 N -2.16 0.61 -3.12 -0.18 5.41 -1.24 -4.89 119.36 113.80 1brl n ILE 222 Ca -0.03 -0.14 -0.44 0.00 1.00 0.00 0.00 62.75 63.14 1brl n ILE 222 Cb 0.50 -2.01 -0.06 0.00 -0.71 0.00 0.00 39.64 37.37 1brl n ILE 222 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1brl s ASP 223 N 4.52 6.22 0.64 4.38 -1.08 -1.26 -5.00 116.67 125.09 1brl s ASP 223 Ca 0.93 -0.99 0.05 0.00 -0.52 0.00 0.00 52.55 52.02 1brl s ASP 223 Cb -0.62 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 38.64 1brl s ASP 223 CO 0.49 -0.98 0.88 -1.00 0.52 0.00 0.00 175.17 175.07 1brl s HIS 224 N 2.78 1.49 -0.02 -5.34 3.76 -1.26 -3.85 115.29 112.85 1brl s HIS 224 Ca 0.16 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1brl s HIS 224 Cb -0.20 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 30.95 1brl s HIS 224 CO 0.11 -1.40 -0.03 0.00 -0.85 0.00 0.00 174.74 172.57 1brl s LEU 226 N 0.38 4.60 -0.14 0.00 1.43 -0.75 -1.00 118.68 123.20 1brl s LEU 226 Ca -0.04 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1brl s LEU 226 Cb -0.07 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1brl s LEU 226 CO -0.01 -0.93 0.00 -0.94 0.23 0.00 0.00 176.35 174.71 1brl s SER 227 N 2.48 5.15 0.28 2.29 1.04 -1.21 -0.15 113.70 123.57 1brl s SER 227 Ca 0.21 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.65 1brl s SER 227 Cb -0.16 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 1brl s SER 227 CO 0.16 0.24 0.31 -0.31 0.98 0.00 0.00 173.24 174.63 1brl s TYR 228 N -0.07 1.17 -0.05 5.02 2.02 -0.63 -3.91 117.35 120.90 1brl s TYR 228 Ca 0.04 -1.33 0.06 0.00 -0.37 0.00 0.00 57.07 55.46 1brl s TYR 228 Cb -0.13 -0.36 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1brl s TYR 228 CO 0.02 -0.89 -0.23 0.96 -1.57 0.00 0.00 175.55 173.85 1brl s ILE 229 N -3.66 2.28 0.06 2.71 -4.36 -1.26 -1.06 121.20 115.91 1brl s ILE 229 Ca 0.35 -1.00 0.09 0.00 -0.26 0.00 0.00 60.65 59.82 1brl s ILE 229 Cb 0.03 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1brl s ILE 229 CO 0.18 0.57 -0.22 -0.89 0.24 0.00 0.00 174.94 174.82 1brl s THR 230 N -0.37 2.48 -0.39 8.37 2.01 -0.90 -3.43 115.64 123.41 1brl s THR 230 Ca 0.03 -1.37 0.04 0.00 0.31 0.00 0.00 61.69 60.70 1brl s THR 230 Cb -0.12 -2.03 0.16 0.00 0.01 0.00 0.00 72.50 70.52 1brl s THR 230 CO 0.02 0.30 0.44 -0.55 -0.69 0.00 0.00 174.62 174.13 1brl s SER 231 N -1.51 0.57 -0.36 3.53 0.15 0.60 -4.67 113.70 112.02 1brl s SER 231 Ca 0.14 -1.62 -0.16 0.00 0.70 0.00 0.00 55.95 55.00 1brl s SER 231 Cb -0.10 0.79 -0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1brl s SER 231 CO 0.05 -0.22 0.40 -0.69 1.20 0.00 0.00 173.24 173.98 1brl s VAL 232 N 1.31 5.13 0.10 4.45 1.01 -1.26 -0.25 120.40 130.89 1brl s VAL 232 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1brl s VAL 232 Cb -0.11 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1brl s VAL 232 CO -0.05 -0.18 0.39 -0.62 0.00 0.00 0.00 175.10 174.65 1brl s ASP 233 N 1.75 -0.23 0.14 3.32 -1.08 -1.23 -4.54 116.67 114.80 1brl s ASP 233 Ca 0.13 -0.25 -0.03 0.00 -0.52 0.00 0.00 52.55 51.87 1brl s ASP 233 Cb -0.16 0.45 -0.07 0.00 -1.46 0.00 0.00 42.92 41.67 1brl s ASP 233 CO 0.12 -0.80 1.32 0.45 0.52 0.00 0.00 175.17 176.79 1brl h HIS 234 N 2.56 0.57 -3.24 -5.34 3.86 -1.96 -2.69 115.15 108.91 1brl h HIS 234 Ca -0.33 -0.31 -0.59 0.00 -1.16 0.00 0.00 60.37 57.98 1brl h HIS 234 Cb 1.24 -0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.54 1brl h HIS 234 CO 0.35 1.12 0.73 0.34 0.86 0.00 0.00 177.93 181.33 1brl s ASP 235 N -7.06 6.40 0.45 2.45 -1.08 -1.26 -4.71 116.67 111.86 1brl s ASP 235 Ca -0.05 -0.13 0.14 0.00 -0.52 0.00 0.00 52.55 51.99 1brl s ASP 235 Cb 0.09 -2.48 1.00 0.00 -1.46 0.00 0.00 42.92 40.07 1brl s ASP 235 CO 0.86 -1.31 2.00 0.77 0.52 0.00 0.00 175.17 178.01 1brl h SER 236 N 9.38 0.04 -0.47 -0.34 4.64 -1.92 -2.67 113.55 122.21 1brl h SER 236 Ca -0.25 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1brl h SER 236 Cb 1.07 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1brl h SER 236 CO 1.12 0.19 0.21 0.78 -0.87 0.00 0.00 176.83 178.26 1brl h ASN 237 N 0.04 0.63 0.23 4.97 4.21 -1.94 -1.80 115.58 121.92 1brl h ASN 237 Ca 0.01 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.36 1brl h ASN 237 Cb 0.28 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1brl h ASN 237 CO 0.02 0.60 -0.11 0.03 -1.29 0.00 0.00 177.43 176.68 1brl h ARG 238 N 0.61 -0.30 -0.88 0.81 3.08 -1.89 0.95 114.38 116.76 1brl h ARG 238 Ca 0.16 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.47 1brl h ARG 238 Cb 0.16 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.13 1brl h ARG 238 CO -0.02 -0.11 0.21 0.00 -1.07 0.00 0.00 179.97 178.98 1brl h ALA 239 N 0.32 1.25 0.05 0.04 0.00 -1.32 0.41 119.26 120.01 1brl h ALA 239 Ca -0.03 0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1brl h ALA 239 Cb 0.33 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1brl h ALA 239 CO 0.05 -0.48 -1.13 0.87 0.00 0.00 0.00 179.25 178.55 1brl h LYS 240 N 0.18 0.11 0.27 0.00 1.57 -1.19 -2.83 116.57 114.68 1brl h LYS 240 Ca 0.55 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1brl h LYS 240 Cb 1.12 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1brl h LYS 240 CO -0.68 1.07 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.69 1brl h ASP 241 N 0.03 -0.36 -1.00 0.86 3.32 0.23 -0.21 116.42 119.29 1brl h ASP 241 Ca -0.07 0.02 0.37 0.00 0.02 0.00 0.00 57.03 57.36 1brl h ASP 241 Cb 1.86 0.10 -0.17 0.00 0.22 0.00 0.00 39.33 41.35 1brl h ASP 241 CO 0.16 -0.24 0.52 0.40 -1.72 0.00 0.00 179.24 178.36 1brl h ILE 242 N -0.38 0.12 -0.30 0.35 2.04 -1.04 1.41 117.51 119.70 1brl h ILE 242 Ca -0.04 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 1brl h ILE 242 Cb 0.30 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1brl h ILE 242 CO 0.05 0.02 -0.40 0.00 0.00 0.00 0.00 178.15 177.82 1brl h ARG 244 N 0.60 1.04 -0.36 0.00 3.08 0.38 -2.42 114.38 116.70 1brl h ARG 244 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1brl h ARG 244 Cb 0.95 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1brl h ARG 244 CO 0.09 0.69 0.09 -0.97 -1.07 0.00 0.00 179.97 178.80 1brl h ASN 245 N 1.08 0.55 -0.75 7.04 -1.24 -1.33 -3.12 115.58 117.81 1brl h ASN 245 Ca 0.36 -0.23 0.16 0.00 0.71 0.00 0.00 56.30 57.30 1brl h ASN 245 Cb 0.05 -0.15 -0.11 0.00 0.73 0.00 0.00 38.32 38.84 1brl h ASN 245 CO -0.13 0.64 0.20 0.15 -1.29 0.00 0.00 177.43 177.00 1brl h PHE 246 N 0.44 0.32 0.00 0.67 3.57 -0.96 0.54 116.94 121.51 1brl h PHE 246 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1brl h PHE 246 Cb 0.30 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1brl h PHE 246 CO 0.02 -0.07 0.00 -0.07 -2.23 0.00 0.00 178.31 175.95 1brl h LEU 247 N 0.29 0.00 0.16 0.59 3.38 -1.45 0.62 115.31 118.90 1brl h LEU 247 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1brl h LEU 247 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1brl h LEU 247 CO -0.50 0.00 -0.08 1.23 0.09 0.00 0.00 178.44 179.18 1brl h GLY 248 N 2.62 -0.23 0.06 0.83 0.00 -0.85 -1.46 103.07 104.04 1brl h GLY 248 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1brl h GLY 248 CO 0.00 -0.08 -0.41 0.45 0.00 0.00 0.00 176.54 176.50 1brl h HIS 249 N -1.01 -1.17 -0.30 5.60 3.86 -1.19 0.54 115.15 121.49 1brl h HIS 249 Ca -0.02 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1brl h HIS 249 Cb 0.35 0.53 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 1brl h HIS 249 CO 0.05 -0.47 -0.23 2.35 0.86 0.00 0.00 177.93 180.49 1brl h TRP 250 N -0.50 -0.59 -0.35 2.45 2.91 0.14 0.64 115.95 120.65 1brl h TRP 250 Ca 0.07 0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.14 1brl h TRP 250 Cb 0.62 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 1brl h TRP 250 CO -0.47 -0.30 0.22 -0.92 -1.03 0.00 0.00 178.44 175.95 1brl h TYR 251 N -0.20 0.42 0.02 2.65 3.20 -0.14 0.75 116.97 123.67 1brl h TYR 251 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1brl h TYR 251 Cb 0.44 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1brl h TYR 251 CO -0.41 0.26 -0.01 0.22 -1.64 0.00 0.00 178.16 176.58 1brl h ASP 252 N 0.45 -0.03 -0.27 -2.11 3.58 0.90 0.16 116.42 119.11 1brl h ASP 252 Ca 0.13 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.60 1brl h ASP 252 Cb -0.03 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1brl h ASP 252 CO -0.04 0.02 -0.01 0.28 -2.88 0.00 0.00 179.24 176.60 1brl h SER 253 N -0.07 -0.14 -0.92 2.28 0.02 0.58 0.07 113.55 115.38 1brl h SER 253 Ca -0.00 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 1brl h SER 253 Cb 0.06 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.62 1brl h SER 253 CO 0.01 -0.04 0.51 0.22 -1.14 0.00 0.00 176.83 176.39 1brl h TYR 254 N 0.06 0.90 0.14 3.45 3.20 0.10 -2.23 116.97 122.59 1brl h TYR 254 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1brl h TYR 254 Cb 0.17 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1brl h TYR 254 CO -0.22 0.21 -0.07 0.28 -1.64 0.00 0.00 178.16 176.73 1brl h VAL 255 N 0.69 1.02 -1.00 1.81 2.07 0.90 -3.16 116.25 118.60 1brl h VAL 255 Ca 0.51 -0.85 0.33 0.00 0.82 0.00 0.00 66.70 67.51 1brl h VAL 255 Cb 0.74 1.53 -0.15 0.00 -1.52 0.00 0.00 31.29 31.89 1brl h VAL 255 CO -0.37 0.20 0.54 0.78 0.02 0.00 0.00 177.57 178.74 1brl h ASN 256 N -0.61 0.45 0.00 0.57 -0.26 -0.46 -2.01 115.58 113.27 1brl h ASN 256 Ca -0.02 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1brl h ASN 256 Cb 0.46 0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1brl h ASN 256 CO 0.03 -0.18 0.00 0.00 -1.06 0.00 0.00 177.43 176.22 1brl n ALA 257 N -2.32 0.84 -2.82 -0.83 0.00 -1.01 -1.23 120.51 113.13 1brl n ALA 257 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1brl n ALA 257 Cb 1.00 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1brl n ALA 257 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1brl n THR 258 N -0.33 2.20 0.00 0.00 -2.24 -0.76 -4.71 114.28 108.45 1brl n THR 258 Ca 0.00 -5.03 0.00 0.00 -2.27 0.00 0.00 64.05 56.75 1brl n THR 258 Cb 0.00 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1brl n THR 258 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1brl n LYS 259 N -0.22 0.00 -1.42 -0.78 3.00 -0.37 -4.77 118.16 113.60 1brl n LYS 259 Ca 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.47 1brl n LYS 259 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.45 1brl n LYS 259 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1brl n ILE 260 N 0.00 0.00 -0.51 3.15 -5.35 -1.26 -4.48 119.36 110.91 1brl n ILE 260 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1brl n ILE 260 Cb 0.00 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 1brl n ILE 260 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1brl n PHE 261 N 10.55 0.00 -3.31 4.28 3.01 -1.26 -4.94 117.46 125.78 1brl n PHE 261 Ca 0.44 -0.07 -0.44 0.00 1.01 0.00 0.00 57.45 58.39 1brl n PHE 261 Cb 0.33 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.73 1brl n PHE 261 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1brl s ASP 262 N -0.15 6.17 0.00 4.37 1.01 -1.26 -4.97 116.67 121.84 1brl s ASP 262 Ca 0.00 -1.25 0.00 0.00 0.71 0.00 0.00 52.55 52.01 1brl s ASP 262 Cb 0.00 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1brl s ASP 262 CO 0.00 -0.74 0.00 -0.67 0.21 0.00 0.00 175.17 173.97 1brl n ASP 263 N 5.50 0.00 -3.53 0.27 -0.08 -1.26 -4.53 116.55 112.93 1brl n ASP 263 Ca -0.11 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.86 1brl n ASP 263 Cb 0.44 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.85 1brl n ASP 263 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1brl n SER 264 N 0.50 4.58 0.00 1.67 2.88 -1.26 -4.88 113.62 117.10 1brl n SER 264 Ca 0.00 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 1brl n SER 264 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1brl n SER 264 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1brl n ASP 265 N 0.84 0.00 -4.39 -3.46 2.03 -1.26 -5.16 116.55 105.14 1brl n ASP 265 Ca 0.30 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.28 1brl n ASP 265 Cb 0.39 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.64 1brl n ASP 265 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1brl s GLN 266 N -0.84 2.82 0.00 -0.67 -2.07 -1.26 -4.89 119.66 112.74 1brl s GLN 266 Ca 0.00 -0.74 0.16 0.00 -1.82 0.00 0.00 55.36 52.96 1brl s GLN 266 Cb 0.00 -2.42 0.32 0.00 -1.09 0.00 0.00 33.01 29.82 1brl s GLN 266 CO 0.00 0.43 1.23 -2.37 -1.32 0.00 0.00 175.29 173.26 1brl n THR 267 N 2.86 0.59 -0.32 3.63 5.66 -1.26 -4.56 114.28 120.89 1brl n THR 267 Ca -0.18 -0.80 0.18 0.00 -3.05 0.00 0.00 64.05 60.21 1brl n THR 267 Cb 0.52 0.84 0.39 0.00 -1.55 0.00 0.00 70.33 70.53 1brl n THR 267 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1brl h LYS 268 N 3.07 0.32 0.00 1.09 3.64 -2.03 -3.47 116.57 119.19 1brl h LYS 268 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1brl h LYS 268 Cb 0.78 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1brl h LYS 268 CO 0.00 0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 1brl n GLY 269 N -1.33 3.97 0.00 5.01 0.00 -1.26 -5.08 105.19 106.51 1brl n GLY 269 Ca 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1brl n GLY 269 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1brl n TYR 270 N -1.44 0.00 0.00 1.61 9.36 -1.26 -5.14 117.16 120.29 1brl n TYR 270 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1brl n TYR 270 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1brl n TYR 270 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1brl n ASP 271 N 0.00 0.00 0.00 2.98 -0.08 -1.26 -5.27 116.55 112.92 1brl n ASP 271 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1brl n ASP 271 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1brl n ASP 271 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1brl n ASP 287 N 0.00 0.00 0.00 1.67 9.92 -1.26 -4.90 116.55 121.98 1brl n ASP 287 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1brl n ASP 287 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1brl n ASP 287 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1brl n THR 288 N -0.15 0.00 0.00 -3.53 -2.24 -1.26 -5.12 114.28 101.98 1brl n THR 288 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1brl n THR 288 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1brl n THR 288 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1brl n ASN 289 N 0.00 0.00 -0.72 3.42 5.03 -1.26 -5.20 115.26 116.54 1brl n ASN 289 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1brl n ASN 289 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1brl n ASN 289 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1brl n ARG 290 N 0.00 0.00 -1.66 3.52 0.63 -1.26 -5.14 116.66 112.75 1brl n ARG 290 Ca 0.00 0.00 -0.65 0.00 -0.92 0.00 0.00 57.85 56.28 1brl n ARG 290 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1brl n ARG 290 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1brl n ARG 291 N 0.00 0.00 -0.00 -0.14 5.12 -1.26 -4.88 116.66 115.50 1brl n ARG 291 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1brl n ARG 291 Cb 0.00 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 29.81 1brl n ARG 291 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1brl n ILE 292 N 3.20 0.00 0.36 0.55 2.08 -1.26 -4.70 119.36 119.59 1brl n ILE 292 Ca 0.27 -0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.67 1brl n ILE 292 Cb -0.02 0.07 0.39 0.00 -0.75 0.00 0.00 39.64 39.34 1brl n ILE 292 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1brl n ASP 293 N -1.64 0.36 -0.52 4.38 5.75 -1.26 -1.96 116.55 121.66 1brl n ASP 293 Ca -0.00 0.61 0.07 0.00 -0.01 0.00 0.00 54.79 55.45 1brl n ASP 293 Cb 0.14 -0.68 0.05 0.00 -1.03 0.00 0.00 41.12 39.61 1brl n ASP 293 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1brl n TYR 294 N -1.92 0.00 0.67 2.11 4.01 -1.26 -4.51 117.16 116.26 1brl n TYR 294 Ca 0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 1brl n TYR 294 Cb 0.16 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.52 1brl n TYR 294 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1brl n SER 295 N 0.70 0.00 -0.03 7.72 3.41 -0.83 -1.40 113.62 123.19 1brl n SER 295 Ca 0.08 -0.26 0.14 0.00 -0.26 0.00 0.00 58.87 58.57 1brl n SER 295 Cb 0.33 -0.06 0.65 0.00 -0.26 0.00 0.00 64.21 64.88 1brl n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1brl n TYR 296 N -1.06 0.00 0.21 7.33 4.11 -1.26 -2.76 117.16 123.73 1brl n TYR 296 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.10 1brl n TYR 296 Cb 0.05 -0.30 0.16 0.00 -0.00 0.00 0.00 39.34 39.25 1brl n TYR 296 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1brl h GLU 297 N 0.17 0.00 -0.37 -3.48 5.08 -1.60 -3.22 114.58 111.16 1brl h GLU 297 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1brl h GLU 297 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1brl h GLU 297 CO 0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 1brl n ILE 298 N -3.07 1.28 -4.41 3.13 -5.35 -1.11 -5.02 119.36 104.81 1brl n ILE 298 Ca 0.04 -1.17 -0.20 0.00 -0.27 0.00 0.00 62.75 61.15 1brl n ILE 298 Cb 0.53 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.67 1brl n ILE 298 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1brl s ASN 299 N -1.16 2.43 -0.02 7.28 0.01 -1.22 -5.00 114.94 117.26 1brl s ASN 299 Ca 0.29 -1.23 -0.15 0.00 -0.71 0.00 0.00 52.86 51.06 1brl s ASN 299 Cb 0.18 -0.10 -0.18 0.00 0.41 0.00 0.00 41.25 41.55 1brl s ASN 299 CO 0.16 -0.44 1.30 -2.65 -1.51 0.00 0.00 177.10 173.96 1brl n PRO 300 N -0.56 0.04 -4.89 -0.60 -0.02 -1.22 -4.82 135.00 122.93 1brl n PRO 300 Ca -0.05 -0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 60.34 1brl n PRO 300 Cb 0.64 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 1brl n PRO 300 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1brl s VAL 301 N 5.94 2.91 0.00 -1.45 1.01 -1.26 -0.29 120.40 127.25 1brl s VAL 301 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1brl s VAL 301 Cb 0.07 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1brl s VAL 301 CO 0.17 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1brl n GLY 302 N 2.99 -0.21 3.20 4.51 0.00 0.65 -4.66 105.19 111.67 1brl n GLY 302 Ca -0.18 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.24 1brl n GLY 302 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1brl n THR 303 N -0.02 0.00 -0.17 2.61 -2.24 -1.01 -3.53 114.28 109.91 1brl n THR 303 Ca 0.00 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1brl n THR 303 Cb 0.00 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1brl n THR 303 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1brl h PRO 304 N -1.62 0.78 -0.53 -0.78 0.11 -1.93 -1.25 132.00 126.78 1brl h PRO 304 Ca -0.48 -0.18 0.11 0.00 0.11 0.00 0.00 66.00 65.56 1brl h PRO 304 Cb 1.35 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1brl h PRO 304 CO 0.32 0.75 -0.17 1.05 -0.21 0.00 0.00 178.00 179.74 1brl h GLU 305 N 0.67 -0.04 -0.85 1.05 4.11 -1.89 0.34 114.58 117.97 1brl h GLU 305 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1brl h GLU 305 Cb 0.30 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1brl h GLU 305 CO -0.00 -0.03 0.54 0.93 0.07 0.00 0.00 179.01 180.52 1brl h GLU 306 N -0.04 1.13 0.57 1.06 5.08 -1.79 -2.25 114.58 118.34 1brl h GLU 306 Ca 0.25 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1brl h GLU 306 Cb 0.43 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1brl h GLU 306 CO -0.56 0.77 -0.27 0.00 -1.00 0.00 0.00 179.01 177.94 1brl h ILE 308 N -0.91 0.31 0.01 0.00 2.04 -0.21 -1.01 117.51 117.74 1brl h ILE 308 Ca -0.08 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1brl h ILE 308 Cb 0.64 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1brl h ILE 308 CO 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 1brl h ALA 309 N 1.80 -0.02 -1.01 1.87 0.00 -1.30 -2.85 119.26 117.76 1brl h ALA 309 Ca 0.73 -0.34 0.24 0.00 0.00 0.00 0.00 54.91 55.54 1brl h ALA 309 Cb 1.73 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 1brl h ALA 309 CO -0.56 -0.16 0.62 0.97 0.00 0.00 0.00 179.25 180.13 1brl h ILE 310 N -0.72 0.58 0.52 0.00 -0.00 -0.66 -2.54 117.51 114.69 1brl h ILE 310 Ca -0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 64.86 64.64 1brl h ILE 310 Cb 0.69 -0.03 0.01 0.00 -0.00 0.00 0.00 36.82 37.48 1brl h ILE 310 CO 0.00 0.10 -0.25 0.40 -0.00 0.00 0.00 178.15 178.40 1brl h ILE 311 N 0.56 0.12 -0.89 2.19 1.08 -1.46 -3.19 117.51 115.92 1brl h ILE 311 Ca 0.60 -0.49 0.24 0.00 -0.39 0.00 0.00 64.86 64.82 1brl h ILE 311 Cb 1.23 0.19 -0.14 0.00 -3.07 0.00 0.00 36.82 35.03 1brl h ILE 311 CO -0.38 0.02 0.28 1.56 -0.69 0.00 0.00 178.15 178.95 1brl h GLN 312 N -1.14 0.24 -0.28 2.37 1.08 -1.30 0.22 115.11 116.30 1brl h GLN 312 Ca -0.07 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1brl h GLN 312 Cb 0.58 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1brl h GLN 312 CO 0.12 0.16 -0.14 0.37 -0.95 0.00 0.00 178.83 178.39 1brl h GLN 313 N 0.24 -0.10 -0.15 1.46 4.15 -1.53 0.68 115.11 119.87 1brl h GLN 313 Ca 0.57 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.90 1brl h GLN 313 Cb 1.15 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1brl h GLN 313 CO -0.63 -0.06 -0.34 -0.44 -1.93 0.00 0.00 178.83 175.42 1brl h ASP 314 N -0.10 0.31 0.00 -0.69 3.32 -0.63 -2.96 116.42 115.67 1brl h ASP 314 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1brl h ASP 314 Cb 0.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1brl h ASP 314 CO -0.34 0.64 0.00 -0.38 -1.72 0.00 0.00 179.24 177.44 1brl n ILE 315 N -4.08 0.00 0.27 0.35 5.41 0.07 -1.92 119.36 119.46 1brl n ILE 315 Ca -0.01 1.47 0.09 0.00 1.00 0.00 0.00 62.75 65.30 1brl n ILE 315 Cb 0.44 -2.40 0.34 0.00 -0.71 0.00 0.00 39.64 37.31 1brl n ILE 315 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1brl h ASP 316 N 0.00 0.00 0.19 4.38 3.32 0.19 0.38 116.42 124.88 1brl h ASP 316 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1brl h ASP 316 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1brl h ASP 316 CO 0.00 0.00 -1.37 0.00 -1.72 0.00 0.00 179.24 176.15 1brl n ALA 317 N -1.74 3.48 0.00 3.45 0.00 -1.05 -4.64 120.51 120.02 1brl n ALA 317 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1brl n ALA 317 Cb 0.83 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1brl n ALA 317 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1brl n THR 318 N -1.99 0.00 0.00 0.00 -2.24 0.10 -4.79 114.28 105.36 1brl n THR 318 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1brl n THR 318 Cb 0.46 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1brl n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1brl n GLY 319 N 2.24 3.11 3.67 3.38 0.00 0.38 -5.02 105.19 112.95 1brl n GLY 319 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1brl n GLY 319 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1brl n ILE 320 N -1.15 0.18 -1.40 -0.61 5.41 -1.26 -4.59 119.36 115.94 1brl n ILE 320 Ca 0.00 -0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.63 1brl n ILE 320 Cb 0.00 -1.64 0.20 0.00 -0.71 0.00 0.00 39.64 37.49 1brl n ILE 320 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1brl n ASP 321 N 4.38 2.79 -3.77 4.38 5.75 -1.26 -4.78 116.55 124.04 1brl n ASP 321 Ca 0.19 -3.73 -0.28 0.00 -0.01 0.00 0.00 54.79 50.95 1brl n ASP 321 Cb 0.29 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.54 1brl n ASP 321 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1brl s ASN 322 N -2.24 3.20 -0.08 -1.12 2.47 -1.26 -1.05 114.94 114.87 1brl s ASN 322 Ca 0.47 -0.97 0.04 0.00 0.42 0.00 0.00 52.86 52.83 1brl s ASN 322 Cb 0.42 -0.73 -0.00 0.00 -1.45 0.00 0.00 41.25 39.49 1brl s ASN 322 CO 0.02 -0.30 -0.22 0.27 -3.72 0.00 0.00 177.10 173.15 1brl s ILE 323 N 1.75 1.90 -0.08 -5.21 -0.00 0.00 -1.82 121.20 117.74 1brl s ILE 323 Ca -0.01 -0.95 0.03 0.00 -0.00 0.00 0.00 60.65 59.73 1brl s ILE 323 Cb -0.17 -1.63 -0.02 0.00 -0.00 0.00 0.00 42.46 40.64 1brl s ILE 323 CO -0.09 0.53 -0.18 0.00 -0.00 0.00 0.00 174.94 175.19 1brl s GLY 326 N -2.69 1.51 0.00 0.00 0.00 -0.23 0.11 107.32 106.03 1brl s GLY 326 Ca 0.18 -1.19 0.21 0.00 0.00 0.00 0.00 44.72 43.93 1brl s GLY 326 CO 0.08 0.35 1.44 0.69 0.00 0.00 0.00 173.10 175.67 1brl n PHE 327 N 4.70 0.74 0.20 1.90 3.01 -1.26 -2.12 117.46 124.64 1brl n PHE 327 Ca -0.19 -0.41 0.13 0.00 1.01 0.00 0.00 57.45 57.99 1brl n PHE 327 Cb 0.50 -0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.66 1brl n PHE 327 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1brl h GLU 328 N 4.04 0.00 -0.21 -1.08 5.08 -1.90 -2.58 114.58 117.93 1brl h GLU 328 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1brl h GLU 328 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1brl h GLU 328 CO 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 179.01 178.15 1brl h ALA 329 N 1.84 1.98 0.00 3.43 0.00 -1.89 0.21 119.26 124.84 1brl h ALA 329 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1brl h ALA 329 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1brl h ALA 329 CO 0.00 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1brl n ASN 330 N -4.50 0.00 0.00 0.00 4.13 -0.97 -4.80 115.26 109.12 1brl n ASN 330 Ca 0.01 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.86 1brl n ASN 330 Cb 0.16 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1brl n ASN 330 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1brl n GLY 331 N 0.48 -0.31 3.71 7.41 0.00 0.72 -4.51 105.19 112.70 1brl n GLY 331 Ca 0.14 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1brl n GLY 331 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1brl s SER 332 N -0.09 3.70 0.18 1.61 0.15 -1.26 -4.86 113.70 113.13 1brl s SER 332 Ca 0.00 2.09 -0.09 0.00 0.70 0.00 0.00 55.95 58.65 1brl s SER 332 Cb 0.00 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 1brl s SER 332 CO 0.00 -2.58 1.62 -0.08 1.20 0.00 0.00 173.24 173.40 1brl h GLU 333 N -1.32 1.07 0.19 5.44 4.81 -1.99 -1.54 114.58 121.24 1brl h GLU 333 Ca -0.44 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.42 1brl h GLU 333 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1brl h GLU 333 CO 0.46 1.07 -0.09 0.93 -0.73 0.00 0.00 179.01 180.65 1brl h GLU 334 N 0.96 -0.25 -0.76 1.92 5.08 -1.95 -2.61 114.58 116.97 1brl h GLU 334 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1brl h GLU 334 Cb 0.61 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1brl h GLU 334 CO 0.04 0.05 0.43 0.93 -1.00 0.00 0.00 179.01 179.46 1brl h GLU 335 N -0.54 1.05 -0.25 2.33 5.08 -1.85 0.31 114.58 120.71 1brl h GLU 335 Ca -0.03 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1brl h GLU 335 Cb 0.41 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1brl h GLU 335 CO 0.04 0.76 0.17 0.82 -1.00 0.00 0.00 179.01 179.80 1brl h ILE 336 N 1.06 1.02 0.11 3.13 2.04 -1.19 -0.06 117.51 123.62 1brl h ILE 336 Ca 0.27 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1brl h ILE 336 Cb 0.01 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1brl h ILE 336 CO -0.05 0.05 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1brl h ILE 337 N 0.26 0.88 -0.50 -0.67 1.08 -0.62 -3.14 117.51 114.81 1brl h ILE 337 Ca 0.10 -1.31 0.10 0.00 -0.39 0.00 0.00 64.86 63.36 1brl h ILE 337 Cb 0.08 1.54 -0.10 0.00 -3.07 0.00 0.00 36.82 35.27 1brl h ILE 337 CO -0.02 0.25 -0.20 0.00 -0.69 0.00 0.00 178.15 177.49 1brl h ALA 338 N -0.36 0.19 0.00 1.87 0.00 -0.96 1.46 119.26 121.45 1brl h ALA 338 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1brl h ALA 338 Cb 0.53 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1brl h ALA 338 CO 0.03 -0.53 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 1brl n SER 339 N -5.40 0.00 -0.03 0.00 3.41 -0.05 -0.47 113.62 111.08 1brl n SER 339 Ca 0.04 -0.04 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1brl n SER 339 Cb 0.31 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1brl n SER 339 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1brl n MET 340 N -1.15 0.92 0.09 4.33 -0.00 0.47 -3.89 117.12 117.90 1brl n MET 340 Ca 0.05 -0.09 -0.22 0.00 -0.00 0.00 0.00 57.70 57.44 1brl n MET 340 Cb 0.05 -1.38 -0.13 0.00 -0.00 0.00 0.00 33.22 31.76 1brl n MET 340 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1brl h LYS 341 N 0.00 0.64 -0.61 3.17 1.57 0.09 -1.66 116.57 119.78 1brl h LYS 341 Ca -0.16 -0.83 0.06 0.00 -1.87 0.00 0.00 60.65 57.86 1brl h LYS 341 Cb 1.19 0.27 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 1brl h LYS 341 CO 0.01 1.38 0.30 1.25 -0.57 0.00 0.00 179.45 181.82 1brl h LEU 342 N 0.29 0.42 -0.52 2.94 6.46 -0.96 -0.79 115.31 123.14 1brl h LEU 342 Ca -0.18 0.04 -0.16 0.00 -0.12 0.00 0.00 57.88 57.46 1brl h LEU 342 Cb 1.89 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.78 1brl h LEU 342 CO 0.24 0.27 -0.61 0.15 -0.62 0.00 0.00 178.44 177.86 1brl h PHE 343 N 0.56 0.57 -0.32 1.25 3.04 -1.67 0.79 116.94 121.15 1brl h PHE 343 Ca 0.28 -0.22 -0.11 0.00 3.98 0.00 0.00 57.97 61.91 1brl h PHE 343 Cb 0.23 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1brl h PHE 343 CO -0.11 0.94 -0.24 0.37 -2.02 0.00 0.00 178.31 177.25 1brl h GLN 344 N 0.33 0.64 0.08 1.11 4.15 -0.24 0.32 115.11 121.50 1brl h GLN 344 Ca -0.01 -0.25 -0.35 0.00 0.77 0.00 0.00 58.65 58.81 1brl h GLN 344 Cb 1.15 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1brl h GLN 344 CO 0.11 0.83 -1.99 -1.13 -1.93 0.00 0.00 178.83 174.71 1brl n SER 345 N -4.11 1.78 -0.00 -0.69 3.41 -0.42 -4.02 113.62 109.57 1brl n SER 345 Ca -0.00 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1brl n SER 345 Cb 0.43 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1brl n SER 345 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1brl n ASP 346 N -3.35 0.87 -0.01 4.04 9.92 0.27 -4.48 116.55 123.82 1brl n ASP 346 Ca -0.30 -0.87 -0.02 0.00 -0.53 0.00 0.00 54.79 53.06 1brl n ASP 346 Cb 1.05 1.12 -0.01 0.00 -0.64 0.00 0.00 41.12 42.64 1brl n ASP 346 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1brl n VAL 347 N -1.59 0.12 -0.27 2.53 0.31 0.01 -4.71 118.33 114.73 1brl n VAL 347 Ca 0.03 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1brl n VAL 347 Cb 0.36 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 1brl n VAL 347 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1brl h MET 348 N -0.06 -0.18 -0.09 5.55 2.86 -0.61 -2.27 114.93 120.13 1brl h MET 348 Ca -0.06 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1brl h MET 348 Cb 1.06 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 1brl h MET 348 CO -0.03 -0.12 -0.28 -1.00 1.06 0.00 0.00 176.91 176.55 1brl h PRO 349 N -0.19 -0.36 0.00 -0.22 0.13 -1.79 -3.22 132.00 126.36 1brl h PRO 349 Ca 0.15 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1brl h PRO 349 Cb 0.52 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1brl h PRO 349 CO -0.77 -0.24 0.00 0.66 -0.23 0.00 0.00 178.00 177.42 1brl n TYR 350 N -5.39 0.00 -3.84 1.56 4.01 -0.86 -4.84 117.16 107.81 1brl n TYR 350 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.46 1brl n TYR 350 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 1brl n TYR 350 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1brl s LEU 351 N -1.12 4.27 -0.01 7.72 1.43 -1.22 -5.09 118.68 124.67 1brl s LEU 351 Ca 0.01 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1brl s LEU 351 Cb 0.01 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1brl s LEU 351 CO 0.01 -0.05 0.05 -0.54 0.23 0.00 0.00 176.35 176.05 1brl s LYS 352 N -3.61 0.14 1.01 1.70 1.02 -1.26 -5.03 119.74 113.71 1brl s LYS 352 Ca 0.36 -0.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.08 1brl s LYS 352 Cb -0.10 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1brl s LYS 352 CO 0.30 -0.02 -0.40 0.39 -0.92 0.00 0.00 175.35 174.69 1brl n GLU 353 N 2.67 -1.16 -2.60 1.68 4.71 -1.26 -4.89 120.64 119.79 1brl n GLU 353 Ca -0.15 -0.33 -0.37 0.00 -0.01 0.00 0.00 57.16 56.30 1brl n GLU 353 Cb 0.58 -1.38 -0.05 0.00 -1.01 0.00 0.00 31.44 29.59 1brl n GLU 353 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1brl s LYS 354 N -2.89 4.29 0.00 3.49 2.20 -1.26 -4.90 119.74 120.67 1brl s LYS 354 Ca 0.41 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1brl s LYS 354 Cb -0.02 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1brl s LYS 354 CO 0.53 -0.02 0.00 0.94 -0.36 0.00 0.00 175.35 176.44