#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbq h LYS 2 N 0.00 0.12 -0.58 0.03 3.64 -1.98 -2.16 116.57 115.63 2bbq h LYS 2 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2bbq h LYS 2 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2bbq h LYS 2 CO 0.00 0.08 -0.02 1.96 -2.27 0.00 0.00 179.45 179.20 2bbq h GLN 3 N 0.13 1.03 0.12 1.90 7.50 -1.99 -1.74 115.11 122.05 2bbq h GLN 3 Ca 0.34 -0.33 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 2bbq h GLN 3 Cb 0.55 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2bbq h GLN 3 CO -0.54 1.02 -0.06 -0.92 -1.50 0.00 0.00 178.83 176.83 2bbq h TYR 4 N 0.94 -0.14 -0.01 2.96 3.20 -1.96 -0.86 116.97 121.10 2bbq h TYR 4 Ca 0.16 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2bbq h TYR 4 Cb 0.57 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2bbq h TYR 4 CO 0.04 0.09 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.11 2bbq h LEU 5 N -0.36 0.03 -0.52 2.82 3.38 -1.32 -0.92 115.31 118.41 2bbq h LEU 5 Ca -0.02 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2bbq h LEU 5 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2bbq h LEU 5 CO 0.03 0.49 -0.47 -0.33 0.09 0.00 0.00 178.44 178.24 2bbq h GLU 6 N 0.02 0.67 -0.14 1.13 5.08 -1.23 -2.31 114.58 117.80 2bbq h GLU 6 Ca -0.00 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2bbq h GLU 6 Cb 0.83 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2bbq h GLU 6 CO 0.06 0.99 0.06 1.25 -1.00 0.00 0.00 179.01 180.37 2bbq h LEU 7 N 0.53 0.08 -0.46 1.33 6.46 -0.67 -1.82 115.31 120.76 2bbq h LEU 7 Ca 0.03 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 2bbq h LEU 7 Cb 1.02 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 2bbq h LEU 7 CO 0.10 0.07 0.04 0.24 -0.62 0.00 0.00 178.44 178.26 2bbq h MET 8 N 0.13 0.16 -0.46 1.25 2.86 -0.99 -1.66 114.93 116.21 2bbq h MET 8 Ca 0.06 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2bbq h MET 8 Cb 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2bbq h MET 8 CO -0.05 0.10 0.15 0.37 1.06 0.00 0.00 176.91 178.54 2bbq h GLN 9 N 0.16 0.67 -0.45 1.72 5.75 -1.30 -2.70 115.11 118.96 2bbq h GLN 9 Ca 0.23 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 2bbq h GLN 9 Cb 0.32 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2bbq h GLN 9 CO -0.35 0.58 -0.14 -0.22 -2.65 0.00 0.00 178.83 176.05 2bbq h LYS 10 N 0.66 0.84 -0.07 1.69 3.64 -0.46 -0.16 116.57 122.70 2bbq h LYS 10 Ca 0.16 -0.30 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 2bbq h LYS 10 Cb 0.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2bbq h LYS 10 CO -0.01 0.93 -0.72 -0.24 -2.27 0.00 0.00 179.45 177.14 2bbq h VAL 11 N 0.74 1.39 -0.77 2.00 3.04 -1.12 0.17 116.25 121.70 2bbq h VAL 11 Ca 0.12 -2.15 -0.01 0.00 -1.01 0.00 0.00 66.70 63.65 2bbq h VAL 11 Cb 0.66 2.12 -0.04 0.00 -2.01 0.00 0.00 31.29 32.01 2bbq h VAL 11 CO 0.05 0.64 0.44 -0.07 -1.01 0.00 0.00 177.57 177.62 2bbq h LEU 12 N 0.25 0.93 0.00 3.16 3.38 -1.21 0.39 115.31 122.22 2bbq h LEU 12 Ca -0.03 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 2bbq h LEU 12 Cb 1.29 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2bbq h LEU 12 CO 0.12 0.73 -1.25 0.44 0.09 0.00 0.00 178.44 178.57 2bbq h ASP 13 N 1.06 0.00 0.00 -0.43 3.32 -0.77 -3.38 116.42 116.22 2bbq h ASP 13 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2bbq h ASP 13 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2bbq h ASP 13 CO -0.05 0.99 0.00 -0.62 -1.72 0.00 0.00 179.24 177.85 2bbq n GLU 14 N -3.24 1.50 -2.43 3.56 1.02 0.57 -5.07 120.64 116.55 2bbq n GLU 14 Ca -0.06 -1.06 -0.38 0.00 -0.02 0.00 0.00 57.16 55.64 2bbq n GLU 14 Cb 0.98 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 31.44 2bbq n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2bbq s GLY 15 N -0.59 2.86 -0.11 0.62 0.00 0.14 -4.81 107.32 105.44 2bbq s GLY 15 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 2bbq s GLY 15 CO 0.00 1.35 0.07 -1.59 0.00 0.00 0.00 173.10 172.93 2bbq s THR 16 N -1.45 4.92 0.01 0.90 2.01 -0.77 -4.79 115.64 116.47 2bbq s THR 16 Ca 0.55 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 2bbq s THR 16 Cb -0.28 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2bbq s THR 16 CO 0.35 0.60 1.30 -1.58 -0.69 0.00 0.00 174.62 174.59 2bbq s GLN 17 N -0.82 4.34 0.03 4.92 0.74 -1.26 -0.60 119.66 127.01 2bbq s GLN 17 Ca 0.13 1.85 0.02 0.00 0.05 0.00 0.00 55.36 57.41 2bbq s GLN 17 Cb -0.12 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 2bbq s GLN 17 CO 0.03 -0.46 -0.08 0.15 -0.55 0.00 0.00 175.29 174.38 2bbq s LYS 18 N 1.94 0.53 0.73 1.67 1.02 -0.86 -4.97 119.74 119.80 2bbq s LYS 18 Ca 0.60 -0.62 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 2bbq s LYS 18 Cb -0.29 -0.37 0.06 0.00 -0.52 0.00 0.00 37.83 36.71 2bbq s LYS 18 CO 0.26 0.08 1.05 -0.80 -0.92 0.00 0.00 175.35 175.02 2bbq s ASN 19 N -1.20 4.75 0.35 2.83 0.01 -1.26 -0.99 114.94 119.43 2bbq s ASN 19 Ca -0.06 0.53 -0.10 0.00 -0.71 0.00 0.00 52.86 52.51 2bbq s ASN 19 Cb -0.08 -1.15 0.03 0.00 0.41 0.00 0.00 41.25 40.46 2bbq s ASN 19 CO 0.00 -1.66 0.63 1.51 -1.51 0.00 0.00 177.10 176.07 2bbq s ASP 20 N -4.53 0.35 0.31 -1.22 -4.77 -1.26 -4.81 116.67 100.74 2bbq s ASP 20 Ca 0.60 -1.23 0.04 0.00 -3.30 0.00 0.00 52.55 48.67 2bbq s ASP 20 Cb -0.11 0.74 0.66 0.00 -1.09 0.00 0.00 42.92 43.12 2bbq s ASP 20 CO 0.46 -1.46 1.85 -0.09 0.70 0.00 0.00 175.17 176.63 2bbq h ARG 21 N 2.07 0.85 -0.00 2.11 2.43 -1.98 -0.20 114.38 119.66 2bbq h ARG 21 Ca -0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2bbq h ARG 21 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2bbq h ARG 21 CO 0.38 0.56 -0.05 0.25 -1.51 0.00 0.00 179.97 179.61 2bbq n THR 22 N -4.60 0.00 -1.14 0.20 -2.24 -1.26 -4.93 114.28 100.31 2bbq n THR 22 Ca 0.18 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2bbq n THR 22 Cb 0.40 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 2bbq n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bbq n GLY 23 N 1.20 0.66 0.14 3.38 0.00 -0.09 -4.90 105.19 105.57 2bbq n GLY 23 Ca 0.17 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2bbq n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bbq h THR 24 N 0.00 0.98 0.00 2.61 2.02 -1.92 -3.48 112.91 113.13 2bbq h THR 24 Ca -0.10 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.51 2bbq h THR 24 Cb 0.64 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2bbq h THR 24 CO 0.14 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.49 2bbq n GLY 25 N 1.82 0.46 3.38 2.16 0.00 -1.26 -4.57 105.19 107.19 2bbq n GLY 25 Ca -0.23 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 2bbq n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbq s THR 26 N -0.97 1.44 -0.20 2.61 -4.23 -0.16 -0.84 115.64 113.28 2bbq s THR 26 Ca 0.00 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 58.35 2bbq s THR 26 Cb 0.00 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 2bbq s THR 26 CO 0.00 -0.35 0.03 -0.76 -0.54 0.00 0.00 174.62 173.00 2bbq s LEU 27 N -3.38 3.42 0.04 4.79 1.43 0.09 -2.02 118.68 123.06 2bbq s LEU 27 Ca 0.28 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2bbq s LEU 27 Cb 0.04 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2bbq s LEU 27 CO 0.10 0.08 -0.06 -0.94 0.23 0.00 0.00 176.35 175.75 2bbq s SER 28 N 0.94 0.73 0.33 2.29 1.04 0.23 -1.24 113.70 118.02 2bbq s SER 28 Ca 0.02 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 55.95 2bbq s SER 28 Cb -0.14 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2bbq s SER 28 CO 0.02 -0.26 0.11 0.27 0.98 0.00 0.00 173.24 174.36 2bbq s ILE 29 N -1.64 3.08 -0.18 -1.02 -4.36 -0.27 -1.84 121.20 114.96 2bbq s ILE 29 Ca -0.09 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2bbq s ILE 29 Cb -0.08 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.70 2bbq s ILE 29 CO -0.01 -0.22 -0.19 0.12 0.24 0.00 0.00 174.94 174.89 2bbq s PHE 30 N -2.41 2.66 0.00 1.37 5.36 -1.26 -1.09 117.98 122.61 2bbq s PHE 30 Ca 0.36 -1.57 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 2bbq s PHE 30 Cb -0.03 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.80 2bbq s PHE 30 CO 0.22 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 2bbq n GLY 31 N 4.65 -0.42 3.55 13.12 0.00 -0.64 -5.02 105.19 120.42 2bbq n GLY 31 Ca -0.20 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 2bbq n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bbq s HIS 32 N 0.00 -0.57 0.00 1.61 5.04 -1.21 -4.97 115.29 115.19 2bbq s HIS 32 Ca 0.00 1.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.53 2bbq s HIS 32 Cb 0.00 0.42 -0.00 0.00 0.04 0.00 0.00 32.58 33.03 2bbq s HIS 32 CO 0.00 -0.51 -0.01 -1.14 -2.34 0.00 0.00 174.74 170.74 2bbq s GLN 33 N -1.07 0.08 0.02 2.88 0.74 -1.26 -1.48 119.66 119.57 2bbq s GLN 33 Ca -0.07 -0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 2bbq s GLN 33 Cb -0.00 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 2bbq s GLN 33 CO 0.07 0.00 0.04 0.00 -0.55 0.00 0.00 175.29 174.85 2bbq s MET 34 N -0.23 0.44 -0.07 1.67 0.23 -0.70 -5.00 119.30 115.64 2bbq s MET 34 Ca -0.02 -0.63 0.05 0.00 -1.03 0.00 0.00 55.69 54.05 2bbq s MET 34 Cb -0.02 0.17 -0.01 0.00 -1.53 0.00 0.00 34.83 33.44 2bbq s MET 34 CO -0.00 -0.09 -0.23 0.50 -2.03 0.00 0.00 175.02 173.17 2bbq s ARG 35 N -1.87 2.49 -0.19 3.16 3.52 -1.26 -0.64 118.95 124.16 2bbq s ARG 35 Ca -0.12 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.65 2bbq s ARG 35 Cb -0.06 -2.05 -0.00 0.00 -1.56 0.00 0.00 34.95 31.28 2bbq s ARG 35 CO -0.02 0.28 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.59 2bbq s PHE 36 N 0.05 2.88 -0.34 5.12 0.40 -0.33 -4.99 117.98 120.77 2bbq s PHE 36 Ca -0.08 -1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 54.91 2bbq s PHE 36 Cb -0.15 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.38 2bbq s PHE 36 CO 0.05 -0.57 0.81 1.21 0.70 0.00 0.00 175.22 177.41 2bbq s ASN 37 N 1.25 6.62 0.00 1.36 3.04 -1.26 -1.38 114.94 124.57 2bbq s ASN 37 Ca 0.03 0.53 0.23 0.00 0.04 0.00 0.00 52.86 53.68 2bbq s ASN 37 Cb -0.14 -2.41 1.13 0.00 -1.54 0.00 0.00 41.25 38.29 2bbq s ASN 37 CO -0.05 -0.70 1.74 0.18 -3.04 0.00 0.00 177.10 175.23 2bbq n LEU 38 N 6.38 0.00 0.17 3.21 4.77 -0.55 -1.14 117.00 129.83 2bbq n LEU 38 Ca 0.04 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 2bbq n LEU 38 Cb 0.48 -0.30 0.41 0.00 -2.33 0.00 0.00 43.42 41.68 2bbq n LEU 38 CO 0.53 -0.07 0.88 1.56 -1.33 0.00 0.00 177.39 178.95 2bbq h GLN 39 N 0.00 0.00 0.00 3.23 1.08 -1.81 -3.20 115.11 114.41 2bbq h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2bbq h GLN 39 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2bbq h GLN 39 CO 0.00 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.63 2bbq n ASP 40 N -2.61 0.05 0.00 1.46 8.00 -0.30 -5.00 116.55 118.16 2bbq n ASP 40 Ca 0.04 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2bbq n ASP 40 Cb 0.39 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2bbq n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbq n GLY 41 N 1.25 3.33 3.69 0.44 0.00 -1.21 -4.88 105.19 107.82 2bbq n GLY 41 Ca 0.06 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2bbq n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bbq s PHE 42 N -2.02 3.21 -0.97 1.61 5.36 0.50 -4.65 117.98 121.02 2bbq s PHE 42 Ca 0.00 1.21 -0.13 0.00 -0.96 0.00 0.00 56.93 57.05 2bbq s PHE 42 Cb 0.00 -3.43 -0.09 0.00 -0.34 0.00 0.00 43.02 39.16 2bbq s PHE 42 CO 0.00 -1.36 2.11 -0.35 -1.46 0.00 0.00 175.22 174.16 2bbq n PRO 43 N 4.98 2.06 -3.95 10.12 -0.04 -1.26 -4.06 135.00 142.85 2bbq n PRO 43 Ca 0.11 -1.79 -0.35 0.00 -0.04 0.00 0.00 63.50 61.42 2bbq n PRO 43 Cb 0.46 -2.76 -0.11 0.00 -0.04 0.00 0.00 33.50 31.05 2bbq n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bbq s LEU 44 N 0.76 3.56 0.37 1.53 2.96 -1.26 -4.12 118.68 122.48 2bbq s LEU 44 Ca 0.50 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.05 2bbq s LEU 44 Cb 0.13 -1.92 -0.10 0.00 0.50 0.00 0.00 46.19 44.80 2bbq s LEU 44 CO 0.02 0.07 1.37 0.68 -1.32 0.00 0.00 176.35 177.17 2bbq s VAL 45 N 0.96 2.45 -0.88 1.68 -7.23 -1.26 -4.82 120.40 111.29 2bbq s VAL 45 Ca 0.03 0.44 0.20 0.00 -1.81 0.00 0.00 61.98 60.84 2bbq s VAL 45 Cb -0.14 -3.27 -0.22 0.00 0.56 0.00 0.00 36.38 33.31 2bbq s VAL 45 CO 0.03 0.09 0.82 0.35 -0.31 0.00 0.00 175.10 176.08 2bbq n THR 46 N 0.47 0.00 1.56 5.32 -2.24 -1.26 -4.50 114.28 113.63 2bbq n THR 46 Ca 0.01 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2bbq n THR 46 Cb 0.41 0.94 0.55 0.00 -2.10 0.00 0.00 70.33 70.14 2bbq n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bbq n THR 47 N -1.51 0.06 -3.66 4.28 -2.24 -1.26 -1.01 114.28 108.94 2bbq n THR 47 Ca 0.03 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2bbq n THR 47 Cb 0.32 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 2bbq n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bbq s LYS 48 N -1.94 0.86 -0.07 -0.78 -2.85 -1.26 -4.59 119.74 109.11 2bbq s LYS 48 Ca 0.37 -0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 54.91 2bbq s LYS 48 Cb 0.19 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 2bbq s LYS 48 CO 0.30 -0.27 1.38 0.50 0.10 0.00 0.00 175.35 177.36 2bbq s ARG 49 N -1.70 4.25 0.05 1.78 3.52 -1.16 -4.66 118.95 121.02 2bbq s ARG 49 Ca -0.10 1.87 0.02 0.00 -0.13 0.00 0.00 55.73 57.40 2bbq s ARG 49 Cb -0.02 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2bbq s ARG 49 CO 0.03 -0.66 0.05 0.00 -0.81 0.00 0.00 175.30 173.92 2bbq s HIS 51 N -1.28 2.95 0.24 0.00 2.46 -1.26 -4.91 115.29 113.49 2bbq s HIS 51 Ca 0.26 -1.04 -0.05 0.00 0.47 0.00 0.00 55.06 54.69 2bbq s HIS 51 Cb -0.12 -4.26 0.41 0.00 -0.13 0.00 0.00 32.58 28.48 2bbq s HIS 51 CO 0.18 -1.53 1.75 -0.07 -2.47 0.00 0.00 174.74 172.60 2bbq h LEU 52 N 10.71 0.35 -0.85 8.88 -0.00 -2.00 -2.53 115.31 129.86 2bbq h LEU 52 Ca -0.05 0.09 0.21 0.00 -0.00 0.00 0.00 57.88 58.13 2bbq h LEU 52 Cb 1.05 0.05 -0.12 0.00 -0.00 0.00 0.00 40.66 41.63 2bbq h LEU 52 CO 1.13 0.16 0.31 -0.09 -0.00 0.00 0.00 178.44 179.95 2bbq h ARG 53 N 0.50 0.32 -0.36 1.13 2.43 -2.00 -0.19 114.38 116.21 2bbq h ARG 53 Ca 0.39 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2bbq h ARG 53 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2bbq h ARG 53 CO -0.35 0.21 -0.31 0.77 -1.51 0.00 0.00 179.97 178.78 2bbq h SER 54 N 0.33 0.89 -0.56 -3.80 0.02 -1.85 -2.14 113.55 106.44 2bbq h SER 54 Ca 0.52 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2bbq h SER 54 Cb 0.97 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2bbq h SER 54 CO -0.55 1.15 0.14 0.40 -1.14 0.00 0.00 176.83 176.84 2bbq h ILE 55 N 0.63 1.25 -0.05 3.27 2.04 -1.36 -1.90 117.51 121.39 2bbq h ILE 55 Ca 0.06 -0.87 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 2bbq h ILE 55 Cb 0.88 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2bbq h ILE 55 CO 0.08 0.32 -0.47 0.40 0.00 0.00 0.00 178.15 178.48 2bbq h ILE 56 N 0.79 1.42 -0.25 -0.67 2.04 -0.93 -2.95 117.51 116.97 2bbq h ILE 56 Ca 0.18 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.07 2bbq h ILE 56 Cb 0.34 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2bbq h ILE 56 CO 0.00 0.55 -0.15 0.45 0.00 0.00 0.00 178.15 179.01 2bbq h HIS 57 N -0.08 0.46 -0.49 1.37 3.86 -1.38 -1.90 115.15 117.00 2bbq h HIS 57 Ca -0.04 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2bbq h HIS 57 Cb 1.15 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 2bbq h HIS 57 CO 0.13 0.56 0.12 1.49 0.86 0.00 0.00 177.93 181.09 2bbq h GLU 58 N 0.39 0.78 -0.48 2.45 4.81 -1.34 -1.46 114.58 119.74 2bbq h GLU 58 Ca 0.07 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2bbq h GLU 58 Cb 0.50 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2bbq h GLU 58 CO 0.03 0.76 0.25 1.25 -0.73 0.00 0.00 179.01 180.58 2bbq h LEU 59 N 0.66 0.38 -1.22 1.64 6.46 -1.26 -0.38 115.31 121.59 2bbq h LEU 59 Ca 0.15 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2bbq h LEU 59 Cb 0.33 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2bbq h LEU 59 CO 0.00 0.27 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.82 2bbq h LEU 60 N 0.50 0.28 -0.01 2.25 4.07 -1.13 -0.11 115.31 121.15 2bbq h LEU 60 Ca 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2bbq h LEU 60 Cb 0.09 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2bbq h LEU 60 CO -0.13 0.50 -0.02 -0.25 -1.08 0.00 0.00 178.44 177.46 2bbq h TRP 61 N 0.27 0.04 -0.20 1.13 7.01 -0.69 -1.86 115.95 121.65 2bbq h TRP 61 Ca 0.05 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.09 2bbq h TRP 61 Cb 0.51 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.50 2bbq h TRP 61 CO 0.01 0.53 -0.21 0.74 -2.79 0.00 0.00 178.44 176.72 2bbq h PHE 62 N -0.47 -0.55 0.00 2.65 0.04 -0.67 -2.37 116.94 115.57 2bbq h PHE 62 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2bbq h PHE 62 Cb 0.53 0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 2bbq h PHE 62 CO 0.10 -0.29 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.43 2bbq h LEU 63 N -0.24 0.00 -0.40 1.54 3.38 -0.89 -0.76 115.31 117.94 2bbq h LEU 63 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2bbq h LEU 63 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2bbq h LEU 63 CO -0.33 0.02 0.00 1.56 0.09 0.00 0.00 178.44 179.78 2bbq h GLN 64 N 0.00 0.00 0.00 1.13 1.08 -0.81 -3.47 115.11 113.04 2bbq h GLN 64 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2bbq h GLN 64 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2bbq h GLN 64 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2bbq n GLY 65 N 0.68 0.71 3.82 3.46 0.00 -0.29 -5.05 105.19 108.52 2bbq n GLY 65 Ca 0.04 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2bbq n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bbq s ASP 66 N -2.01 6.98 -0.04 1.61 -1.08 -1.11 -3.71 116.67 117.32 2bbq s ASP 66 Ca 0.00 1.47 0.05 0.00 -0.52 0.00 0.00 52.55 53.56 2bbq s ASP 66 Cb 0.00 -2.44 0.08 0.00 -1.46 0.00 0.00 42.92 39.10 2bbq s ASP 66 CO 0.00 -0.13 0.95 0.35 0.52 0.00 0.00 175.17 176.86 2bbq n THR 67 N 0.11 0.69 -5.06 1.71 -2.24 -1.26 -4.16 114.28 104.07 2bbq n THR 67 Ca 0.02 -0.80 -0.31 0.00 -2.27 0.00 0.00 64.05 60.70 2bbq n THR 67 Cb 0.52 0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.98 2bbq n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bbq s ASN 68 N -1.35 3.21 0.00 3.42 3.84 -1.26 -1.92 114.94 120.88 2bbq s ASN 68 Ca 0.09 -0.51 0.20 0.00 0.21 0.00 0.00 52.86 52.86 2bbq s ASN 68 Cb 0.08 -0.36 0.80 0.00 -0.55 0.00 0.00 41.25 41.22 2bbq s ASN 68 CO 0.01 0.29 1.57 2.30 -2.79 0.00 0.00 177.10 178.48 2bbq n ILE 69 N 2.06 0.18 -0.18 -5.21 -5.35 -0.77 -4.19 119.36 105.90 2bbq n ILE 69 Ca -0.16 -0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 61.99 2bbq n ILE 69 Cb 0.52 0.27 0.04 0.00 -1.74 0.00 0.00 39.64 38.72 2bbq n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bbq h ALA 70 N 3.98 0.26 -0.19 -1.28 0.00 -1.92 0.10 119.26 120.21 2bbq h ALA 70 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2bbq h ALA 70 Cb 0.41 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2bbq h ALA 70 CO 0.00 -0.49 -0.22 -0.92 0.00 0.00 0.00 179.25 177.62 2bbq h TYR 71 N -0.05 -0.58 -0.40 0.00 3.20 -2.00 0.18 116.97 117.32 2bbq h TYR 71 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2bbq h TYR 71 Cb 0.45 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2bbq h TYR 71 CO -0.49 -0.30 0.25 -0.07 -1.64 0.00 0.00 178.16 175.91 2bbq h LEU 72 N -0.25 0.46 -0.36 2.82 3.38 -1.68 -1.96 115.31 117.72 2bbq h LEU 72 Ca 0.12 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2bbq h LEU 72 Cb 0.43 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bbq h LEU 72 CO -0.34 0.34 -0.45 0.45 0.09 0.00 0.00 178.44 178.54 2bbq h HIS 73 N 0.54 1.12 -0.11 1.13 3.86 0.13 0.22 115.15 122.03 2bbq h HIS 73 Ca 0.14 -0.36 0.03 0.00 -1.16 0.00 0.00 60.37 59.03 2bbq h HIS 73 Cb -0.04 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 2bbq h HIS 73 CO 0.00 1.19 0.08 0.93 0.86 0.00 0.00 177.93 180.99 2bbq h GLU 74 N 0.73 0.00 -0.53 2.45 5.08 -0.27 -1.36 114.58 120.68 2bbq h GLU 74 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2bbq h GLU 74 Cb 1.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 2bbq h GLU 74 CO 0.11 0.00 0.10 0.09 -1.00 0.00 0.00 179.01 178.30 2bbq n ASN 75 N -4.43 4.61 -3.74 1.42 4.13 -0.83 -4.97 115.26 111.44 2bbq n ASN 75 Ca -0.00 -3.14 -0.24 0.00 1.68 0.00 0.00 54.58 52.87 2bbq n ASN 75 Cb 0.20 -0.67 0.04 0.00 -1.54 0.00 0.00 39.78 37.81 2bbq n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2bbq n ASN 76 N -0.15 -2.86 -4.10 6.41 5.03 -0.51 -5.00 115.26 114.07 2bbq n ASN 76 Ca 0.32 -0.77 -0.30 0.00 0.87 0.00 0.00 54.58 54.70 2bbq n ASN 76 Cb 1.17 -4.17 -0.17 0.00 -1.02 0.00 0.00 39.78 35.59 2bbq n ASN 76 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2bbq s VAL 77 N -3.50 1.69 -0.16 2.41 1.01 0.03 -5.01 120.40 116.87 2bbq s VAL 77 Ca 0.27 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2bbq s VAL 77 Cb -0.13 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.81 2bbq s VAL 77 CO 0.80 0.48 1.06 0.35 0.00 0.00 0.00 175.10 177.79 2bbq n THR 78 N 4.07 1.09 0.32 3.92 -2.24 -1.26 -4.02 114.28 116.15 2bbq n THR 78 Ca -0.20 -1.11 0.20 0.00 -2.27 0.00 0.00 64.05 60.68 2bbq n THR 78 Cb 0.52 0.43 1.09 0.00 -2.10 0.00 0.00 70.33 70.27 2bbq n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2bbq h ILE 79 N 0.34 0.12 -0.24 2.28 3.07 -1.97 -2.41 117.51 118.72 2bbq h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2bbq h ILE 79 Cb 0.59 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2bbq h ILE 79 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2bbq n TRP 80 N -3.23 0.34 -0.12 0.16 7.02 -1.26 -4.76 117.44 115.59 2bbq n TRP 80 Ca -0.02 -0.53 -0.04 0.00 -1.02 0.00 0.00 57.50 55.89 2bbq n TRP 80 Cb 0.14 -0.05 0.17 0.00 -2.42 0.00 0.00 31.31 29.14 2bbq n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2bbq h ASP 81 N 1.39 0.77 0.30 -0.99 5.19 -1.79 -3.17 116.42 118.11 2bbq h ASP 81 Ca 0.00 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2bbq h ASP 81 Cb 0.71 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2bbq h ASP 81 CO 0.01 0.81 0.00 -0.62 -3.12 0.00 0.00 179.24 176.33 2bbq n GLU 82 N -4.23 0.26 -0.00 3.56 4.71 -1.26 -2.98 120.64 120.69 2bbq n GLU 82 Ca 0.03 0.12 0.05 0.00 -0.01 0.00 0.00 57.16 57.34 2bbq n GLU 82 Cb 0.28 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.15 2bbq n GLU 82 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 2bbq n TRP 83 N -1.27 0.00 -2.95 -0.32 8.01 -1.20 -5.02 117.44 114.69 2bbq n TRP 83 Ca 0.08 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.93 2bbq n TRP 83 Cb 0.13 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 2bbq n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2bbq s ALA 84 N -2.02 3.24 1.00 6.99 0.00 -1.16 -4.81 121.76 124.99 2bbq s ALA 84 Ca 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 2bbq s ALA 84 Cb 0.07 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2bbq s ALA 84 CO 0.39 0.23 0.03 -0.40 0.00 0.00 0.00 175.76 176.02 2bbq n ASP 85 N 0.07 -0.34 0.30 0.00 5.68 -0.25 -4.78 116.55 117.23 2bbq n ASP 85 Ca 0.03 -0.85 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 2bbq n ASP 85 Cb 0.52 -0.03 0.94 0.00 -1.14 0.00 0.00 41.12 41.42 2bbq n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2bbq h GLU 86 N 0.00 0.00 -0.19 0.11 3.07 -1.98 0.19 114.58 115.79 2bbq h GLU 86 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2bbq h GLU 86 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2bbq h GLU 86 CO 0.01 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 2bbq n ASN 87 N -3.39 2.92 0.00 1.42 5.03 -1.26 -4.97 115.26 115.01 2bbq n ASN 87 Ca -0.02 -1.92 0.00 0.00 0.87 0.00 0.00 54.58 53.50 2bbq n ASN 87 Cb 0.16 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 2bbq n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bbq n GLY 88 N 1.38 0.80 3.79 7.41 0.00 0.66 -4.87 105.19 114.37 2bbq n GLY 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2bbq n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bbq s ASP 89 N -2.70 7.28 0.00 1.61 1.01 -1.26 -1.85 116.67 120.77 2bbq s ASP 89 Ca 0.00 1.59 0.12 0.00 0.71 0.00 0.00 52.55 54.97 2bbq s ASP 89 Cb 0.00 -2.48 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 2bbq s ASP 89 CO 0.00 0.14 0.57 0.18 0.21 0.00 0.00 175.17 176.27 2bbq n LEU 90 N 1.26 0.78 0.00 1.23 4.77 -0.81 -1.10 117.00 123.14 2bbq n LEU 90 Ca -0.04 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2bbq n LEU 90 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2bbq n LEU 90 CO 0.45 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2bbq n GLY 91 N 1.21 -3.85 2.40 -0.72 0.00 -1.26 -0.54 105.19 102.44 2bbq n GLY 91 Ca 0.03 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2bbq n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bbq n PRO 92 N -0.08 3.12 0.00 1.61 -0.02 -1.26 -4.82 135.00 133.55 2bbq n PRO 92 Ca 0.00 -1.91 0.00 0.00 -2.02 0.00 0.00 63.50 59.57 2bbq n PRO 92 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 2bbq n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2bbq n VAL 93 N 3.74 0.00 -0.31 -1.45 0.24 -1.26 -4.51 118.33 114.77 2bbq n VAL 93 Ca 0.66 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.86 2bbq n VAL 93 Cb 0.22 -0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 2bbq n VAL 93 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 2bbq h TYR 94 N 0.00 -1.67 -0.82 6.34 0.05 -1.91 -2.30 116.97 116.66 2bbq h TYR 94 Ca 0.00 0.11 0.20 0.00 0.05 0.00 0.00 58.73 59.09 2bbq h TYR 94 Cb 0.00 0.83 -0.13 0.00 1.01 0.00 0.00 36.73 38.44 2bbq h TYR 94 CO 0.00 -0.36 0.18 0.78 -1.05 0.00 0.00 178.16 177.71 2bbq h GLY 95 N -0.09 1.17 1.11 3.88 0.00 -1.74 0.01 103.07 107.40 2bbq h GLY 95 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 2bbq h GLY 95 CO -0.77 -0.31 -0.46 1.70 0.00 0.00 0.00 176.54 176.70 2bbq h LYS 96 N 0.21 0.86 -0.27 4.80 3.11 -1.50 -2.20 116.57 121.58 2bbq h LYS 96 Ca 0.49 -0.51 -0.11 0.00 -2.81 0.00 0.00 60.65 57.71 2bbq h LYS 96 Cb 0.93 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.20 2bbq h LYS 96 CO -0.62 1.15 -0.26 1.96 -2.81 0.00 0.00 179.45 178.88 2bbq h GLN 97 N 0.65 0.66 -0.94 1.90 1.08 -1.25 0.44 115.11 117.64 2bbq h GLN 97 Ca 0.03 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2bbq h GLN 97 Cb 1.07 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.46 2bbq h GLN 97 CO 0.11 0.95 0.60 -1.49 -0.95 0.00 0.00 178.83 178.04 2bbq h TRP 98 N 0.39 1.21 0.00 2.96 4.06 -0.97 -2.96 115.95 120.64 2bbq h TRP 98 Ca 0.05 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2bbq h TRP 98 Cb 0.82 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2bbq h TRP 98 CO 0.07 0.78 -1.44 0.54 -3.56 0.00 0.00 178.44 174.83 2bbq n ARG 99 N -4.40 0.86 -2.80 0.49 5.12 -0.83 0.44 116.66 115.54 2bbq n ARG 99 Ca 0.11 -0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 2bbq n ARG 99 Cb 0.03 -1.36 0.07 0.00 -1.16 0.00 0.00 32.46 30.03 2bbq n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bbq n ALA 100 N -1.85 -0.46 -1.67 7.54 0.00 0.15 -3.63 120.51 120.59 2bbq n ALA 100 Ca -0.01 -1.73 -0.45 0.00 0.00 0.00 0.00 53.44 51.25 2bbq n ALA 100 Cb 0.38 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 2bbq n ALA 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2bbq n TRP 101 N 0.55 2.40 -2.33 0.00 -0.00 -0.66 -4.59 117.44 112.81 2bbq n TRP 101 Ca 0.09 -0.20 -0.42 0.00 -0.00 0.00 0.00 57.50 56.97 2bbq n TRP 101 Cb 0.68 -2.74 -0.03 0.00 -0.00 0.00 0.00 31.31 29.23 2bbq n TRP 101 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 2bbq s PRO 102 N 4.41 4.31 0.62 5.87 0.02 -1.26 -0.93 135.00 148.04 2bbq s PRO 102 Ca 0.92 1.84 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 2bbq s PRO 102 Cb -0.55 -3.57 0.06 0.00 0.02 0.00 0.00 34.50 30.46 2bbq s PRO 102 CO 0.46 -0.52 0.88 0.95 -0.33 0.00 0.00 177.00 178.44 2bbq s THR 103 N 2.33 2.47 0.18 0.99 -4.23 -0.38 -4.99 115.64 112.01 2bbq s THR 103 Ca 0.60 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 2bbq s THR 103 Cb -0.28 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.66 2bbq s THR 103 CO 0.24 0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 175.27 2bbq h PRO 104 N -0.22 0.95 -1.02 3.99 0.11 -1.97 -3.28 132.00 130.56 2bbq h PRO 104 Ca -0.42 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.32 2bbq h PRO 104 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2bbq h PRO 104 CO 0.52 1.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.95 2bbq n ASP 105 N -4.12 2.67 -0.15 -2.05 5.68 -1.26 -4.85 116.55 112.47 2bbq n ASP 105 Ca 0.01 -1.94 -0.02 0.00 -0.50 0.00 0.00 54.79 52.34 2bbq n ASP 105 Cb 0.43 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.92 2bbq n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbq n GLY 106 N 0.46 0.49 4.00 6.12 0.00 -1.24 -5.04 105.19 109.99 2bbq n GLY 106 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2bbq n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bbq s ARG 107 N -1.23 1.98 -0.01 1.61 0.52 -1.26 -4.92 118.95 115.64 2bbq s ARG 107 Ca 0.00 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 2bbq s ARG 107 Cb 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.02 2bbq s ARG 107 CO 0.00 -1.16 -0.01 -1.01 0.02 0.00 0.00 175.30 173.13 2bbq s HIS 108 N -2.93 0.15 -0.20 -0.53 3.76 -1.26 -1.25 115.29 113.02 2bbq s HIS 108 Ca 0.64 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.50 2bbq s HIS 108 Cb -0.06 -0.14 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 2bbq s HIS 108 CO 0.42 -0.02 -0.04 0.42 -0.85 0.00 0.00 174.74 174.67 2bbq s ILE 109 N 0.16 3.54 -0.56 0.60 -1.09 -0.10 -4.86 121.20 118.89 2bbq s ILE 109 Ca -0.01 -0.45 -0.26 0.00 -2.23 0.00 0.00 60.65 57.70 2bbq s ILE 109 Cb -0.03 -2.60 0.04 0.00 -1.58 0.00 0.00 42.46 38.29 2bbq s ILE 109 CO -0.00 0.43 1.05 -0.62 -1.23 0.00 0.00 174.94 174.57 2bbq s ASP 110 N 1.21 6.40 0.29 3.58 -1.08 -1.24 -1.65 116.67 124.18 2bbq s ASP 110 Ca 0.03 -0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.08 2bbq s ASP 110 Cb -0.14 -2.49 0.30 0.00 -1.46 0.00 0.00 42.92 39.13 2bbq s ASP 110 CO -0.01 -1.33 1.55 1.56 0.52 0.00 0.00 175.17 177.47 2bbq h GLN 111 N 9.40 0.00 -0.14 4.34 4.20 -0.25 -2.99 115.11 129.67 2bbq h GLN 111 Ca -0.25 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.26 2bbq h GLN 111 Cb 1.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.85 2bbq h GLN 111 CO 1.13 0.54 -0.66 0.82 -0.67 0.00 0.00 178.83 179.99 2bbq h ILE 112 N 0.00 1.31 -0.46 2.54 1.08 -1.88 -1.12 117.51 118.98 2bbq h ILE 112 Ca -0.01 -1.90 -0.12 0.00 -0.39 0.00 0.00 64.86 62.44 2bbq h ILE 112 Cb 1.22 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 37.01 2bbq h ILE 112 CO 0.07 0.59 -0.17 0.74 -0.69 0.00 0.00 178.15 178.69 2bbq h THR 113 N 0.38 1.27 0.17 -0.27 2.02 -1.88 -1.34 112.91 113.26 2bbq h THR 113 Ca -0.04 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.84 2bbq h THR 113 Cb 1.30 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2bbq h THR 113 CO 0.14 0.45 -0.19 0.74 0.37 0.00 0.00 175.52 177.03 2bbq h THR 114 N 0.79 0.58 -0.37 3.16 2.02 -1.47 -1.09 112.91 116.54 2bbq h THR 114 Ca 0.12 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.34 2bbq h THR 114 Cb 0.71 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2bbq h THR 114 CO 0.05 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.65 2bbq h VAL 115 N -0.40 0.89 -0.94 3.16 2.07 -0.98 -0.25 116.25 119.79 2bbq h VAL 115 Ca 0.01 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2bbq h VAL 115 Cb 0.39 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2bbq h VAL 115 CO -0.06 0.05 0.60 -0.07 0.02 0.00 0.00 177.57 178.11 2bbq h LEU 116 N 0.28 0.84 -0.37 2.57 3.38 -1.12 0.46 115.31 121.34 2bbq h LEU 116 Ca 0.17 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2bbq h LEU 116 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2bbq h LEU 116 CO -0.18 0.47 0.06 -1.13 0.09 0.00 0.00 178.44 177.76 2bbq h ASN 117 N 0.92 0.59 -0.89 -0.43 -1.24 -0.29 -2.64 115.58 111.60 2bbq h ASN 117 Ca 0.45 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 2bbq h ASN 117 Cb 0.47 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 2bbq h ASN 117 CO -0.21 0.70 0.55 1.56 -1.29 0.00 0.00 177.43 178.73 2bbq h GLN 118 N 0.46 1.19 -0.01 6.67 4.20 -0.38 -1.57 115.11 125.67 2bbq h GLN 118 Ca 0.11 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2bbq h GLN 118 Cb 0.36 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2bbq h GLN 118 CO 0.01 0.82 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.58 2bbq h LEU 119 N 1.21 0.03 0.01 1.46 3.38 -0.74 0.21 115.31 120.88 2bbq h LEU 119 Ca 0.32 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 2bbq h LEU 119 Cb -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2bbq h LEU 119 CO -0.06 0.37 -0.18 0.11 0.09 0.00 0.00 178.44 178.77 2bbq h LYS 120 N 0.02 0.09 0.00 1.13 1.57 -1.24 -3.35 116.57 114.79 2bbq h LYS 120 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2bbq h LYS 120 Cb 0.61 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2bbq h LYS 120 CO 0.05 0.95 -1.68 0.09 -0.57 0.00 0.00 179.45 178.28 2bbq n ASN 121 N -4.54 0.70 -2.94 0.86 3.02 -0.61 -4.70 115.26 107.04 2bbq n ASN 121 Ca -0.10 -0.18 -0.14 0.00 -0.03 0.00 0.00 54.58 54.14 2bbq n ASN 121 Cb 0.50 1.70 0.03 0.00 -0.61 0.00 0.00 39.78 41.41 2bbq n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2bbq n ASP 122 N -2.02 -0.99 0.04 6.41 2.03 0.70 -4.98 116.55 117.73 2bbq n ASP 122 Ca -0.02 -3.33 0.07 0.00 0.52 0.00 0.00 54.79 52.03 2bbq n ASP 122 Cb 0.46 0.75 0.31 0.00 -0.72 0.00 0.00 41.12 41.92 2bbq n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2bbq n PRO 123 N 0.52 0.05 -0.20 -0.67 -0.04 -0.97 -1.38 135.00 132.31 2bbq n PRO 123 Ca 0.15 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 2bbq n PRO 123 Cb 0.67 -1.60 0.26 0.00 -0.04 0.00 0.00 33.50 32.78 2bbq n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bbq n ASP 124 N -1.70 2.59 -4.77 3.54 8.00 -1.26 -4.04 116.55 118.92 2bbq n ASP 124 Ca 0.02 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.20 2bbq n ASP 124 Cb 0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2bbq n ASP 124 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bbq s SER 125 N -1.22 6.16 -0.27 -2.24 0.15 -0.48 -4.91 113.70 110.89 2bbq s SER 125 Ca 0.34 2.73 0.12 0.00 0.70 0.00 0.00 55.95 59.85 2bbq s SER 125 Cb 0.18 -2.64 0.79 0.00 -1.71 0.00 0.00 66.02 62.65 2bbq s SER 125 CO 0.25 -0.96 1.76 0.54 1.20 0.00 0.00 173.24 176.03 2bbq n ARG 126 N 0.00 4.50 -0.18 5.44 1.74 -1.26 -4.47 116.66 122.44 2bbq n ARG 126 Ca 0.04 -3.10 0.09 0.00 -0.77 0.00 0.00 57.85 54.11 2bbq n ARG 126 Cb 0.43 -2.25 0.15 0.00 -1.02 0.00 0.00 32.46 29.77 2bbq n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bbq n ARG 127 N 0.37 1.33 -2.99 5.56 1.74 -1.26 -4.96 116.66 116.45 2bbq n ARG 127 Ca 0.32 -2.71 -0.44 0.00 -0.77 0.00 0.00 57.85 54.25 2bbq n ARG 127 Cb 1.26 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 31.18 2bbq n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bbq s ILE 128 N -2.93 5.08 0.04 0.55 1.01 -1.26 -4.95 121.20 118.75 2bbq s ILE 128 Ca 0.33 -2.50 0.06 0.00 0.00 0.00 0.00 60.65 58.54 2bbq s ILE 128 Cb 0.30 -4.84 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2bbq s ILE 128 CO 0.01 -1.54 -0.18 -0.63 0.00 0.00 0.00 174.94 172.60 2bbq s ILE 129 N 1.49 1.47 -0.11 2.92 1.01 -1.26 -0.85 121.20 125.86 2bbq s ILE 129 Ca 0.39 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2bbq s ILE 129 Cb -0.04 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2bbq s ILE 129 CO -0.03 0.13 -0.22 -0.69 0.00 0.00 0.00 174.94 174.12 2bbq s VAL 130 N -0.83 2.00 -0.07 2.92 1.01 -0.96 -4.89 120.40 119.58 2bbq s VAL 130 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2bbq s VAL 130 Cb -0.08 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2bbq s VAL 130 CO 0.02 0.54 -0.18 -0.55 0.00 0.00 0.00 175.10 174.93 2bbq s SER 131 N 0.55 3.70 0.00 3.32 0.15 -1.26 -1.89 113.70 118.27 2bbq s SER 131 Ca -0.14 -0.34 0.23 0.00 0.70 0.00 0.00 55.95 56.40 2bbq s SER 131 Cb -0.17 -1.06 0.04 0.00 -1.71 0.00 0.00 66.02 63.12 2bbq s SER 131 CO 0.04 0.26 1.12 0.00 1.20 0.00 0.00 173.24 175.86 2bbq n ALA 132 N 2.87 3.52 -2.75 5.45 0.00 -0.59 -4.64 120.51 124.38 2bbq n ALA 132 Ca -0.18 -0.63 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 2bbq n ALA 132 Cb 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 2bbq n ALA 132 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2bbq s TRP 133 N -2.47 3.03 -0.49 0.00 -0.11 -1.23 -4.87 118.94 112.81 2bbq s TRP 133 Ca 0.19 -1.66 -0.16 0.00 1.22 0.00 0.00 56.10 55.69 2bbq s TRP 133 Cb 0.18 -4.54 0.09 0.00 -1.50 0.00 0.00 33.47 27.70 2bbq s TRP 133 CO 0.57 -1.65 0.42 1.21 -4.62 0.00 0.00 176.95 172.88 2bbq s ASN 134 N 3.78 6.16 0.20 5.86 3.04 -1.26 -4.94 114.94 127.78 2bbq s ASN 134 Ca 0.46 -1.45 -0.11 0.00 0.04 0.00 0.00 52.86 51.80 2bbq s ASN 134 Cb 0.00 -2.19 0.23 0.00 -1.54 0.00 0.00 41.25 37.75 2bbq s ASN 134 CO 0.01 -0.71 1.74 0.58 -3.04 0.00 0.00 177.10 175.68 2bbq h VAL 135 N 5.79 0.78 0.00 -5.21 2.07 -2.01 -1.64 116.25 116.03 2bbq h VAL 135 Ca -0.29 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2bbq h VAL 135 Cb 1.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2bbq h VAL 135 CO 0.92 0.07 0.00 0.61 0.02 0.00 0.00 177.57 179.19 2bbq n GLY 136 N -1.28 -0.85 0.10 2.17 0.00 -1.26 -2.96 105.19 101.10 2bbq n GLY 136 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2bbq n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bbq n GLU 137 N -1.47 -0.61 -0.32 1.61 1.02 -0.64 -4.77 120.64 115.47 2bbq n GLU 137 Ca 0.03 -0.64 0.16 0.00 -0.02 0.00 0.00 57.16 56.69 2bbq n GLU 137 Cb 0.13 -1.04 0.40 0.00 -0.02 0.00 0.00 31.44 30.90 2bbq n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2bbq h LEU 138 N 0.48 0.63 -0.64 -4.62 4.07 -1.37 -0.14 115.31 113.72 2bbq h LEU 138 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2bbq h LEU 138 Cb 0.10 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2bbq h LEU 138 CO 0.00 0.23 0.00 -0.90 -1.08 0.00 0.00 178.44 176.69 2bbq n ASP 139 N -4.66 0.71 -0.93 -0.43 5.75 -1.26 -1.43 116.55 114.29 2bbq n ASP 139 Ca 0.22 0.66 0.12 0.00 -0.01 0.00 0.00 54.79 55.78 2bbq n ASP 139 Cb 0.64 -0.81 0.21 0.00 -1.03 0.00 0.00 41.12 40.12 2bbq n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2bbq n LYS 140 N -2.26 2.26 -3.61 0.11 5.02 -0.07 -4.95 118.16 114.66 2bbq n LYS 140 Ca 0.02 -1.86 -0.37 0.00 -2.02 0.00 0.00 58.31 54.08 2bbq n LYS 140 Cb 0.25 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2bbq n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2bbq s MET 141 N -1.82 3.85 0.39 1.97 -1.94 -0.51 -4.17 119.30 117.07 2bbq s MET 141 Ca 0.33 0.21 0.11 0.00 -1.71 0.00 0.00 55.69 54.63 2bbq s MET 141 Cb 0.21 -3.25 0.81 0.00 2.01 0.00 0.00 34.83 34.60 2bbq s MET 141 CO 0.31 0.63 1.90 0.00 -0.01 0.00 0.00 175.02 177.85 2bbq h ALA 142 N 5.16 1.50 -3.04 3.03 0.00 -1.13 -3.41 119.26 121.37 2bbq h ALA 142 Ca -0.51 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 53.98 2bbq h ALA 142 Cb 1.21 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 2bbq h ALA 142 CO 0.63 0.36 -0.47 -1.17 0.00 0.00 0.00 179.25 178.60 2bbq s LEU 143 N -8.56 0.54 0.47 0.00 2.96 -1.26 -5.05 118.68 107.78 2bbq s LEU 143 Ca -0.04 0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 54.16 2bbq s LEU 143 Cb 0.15 0.77 -0.07 0.00 0.50 0.00 0.00 46.19 47.54 2bbq s LEU 143 CO 0.72 -0.15 1.22 0.00 -1.32 0.00 0.00 176.35 176.83 2bbq s ALA 144 N 1.03 2.98 -0.38 5.97 0.00 -1.26 -4.91 121.76 125.18 2bbq s ALA 144 Ca -0.07 1.06 -0.40 0.00 0.00 0.00 0.00 51.96 52.55 2bbq s ALA 144 Cb -0.09 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 2bbq s ALA 144 CO -0.07 -0.84 2.02 -2.30 0.00 0.00 0.00 175.76 174.57 2bbq n PRO 145 N -0.52 0.76 0.04 0.00 -0.02 -1.26 -4.90 135.00 129.11 2bbq n PRO 145 Ca 0.07 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 2bbq n PRO 145 Cb 0.47 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 2bbq n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bbq s HIS 147 N -3.04 3.11 -0.06 0.00 0.00 -1.26 -1.02 115.29 113.02 2bbq s HIS 147 Ca -0.12 -1.06 0.10 0.00 -3.00 0.00 0.00 55.06 50.98 2bbq s HIS 147 Cb 0.04 -3.85 -0.24 0.00 -4.00 0.00 0.00 32.58 24.54 2bbq s HIS 147 CO 0.87 -1.14 0.60 0.00 -1.00 0.00 0.00 174.74 174.07 2bbq n ALA 148 N 5.83 1.40 -3.64 -1.38 0.00 -0.95 -4.79 120.51 116.98 2bbq n ALA 148 Ca -0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 2bbq n ALA 148 Cb 0.42 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 2bbq n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2bbq s PHE 149 N -2.59 -0.82 0.06 0.00 2.19 -1.19 -1.55 117.98 114.08 2bbq s PHE 149 Ca -0.08 1.80 -0.05 0.00 0.33 0.00 0.00 56.93 58.93 2bbq s PHE 149 Cb 0.08 0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 42.20 2bbq s PHE 149 CO 0.82 -0.40 0.09 -0.59 1.83 0.00 0.00 175.22 176.97 2bbq s PHE 150 N 0.92 0.28 -0.01 10.12 -0.71 -0.79 -1.06 117.98 126.72 2bbq s PHE 150 Ca -0.04 -0.70 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 2bbq s PHE 150 Cb -0.05 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 2bbq s PHE 150 CO -0.09 -0.44 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.14 2bbq s GLN 151 N -3.49 0.62 0.26 1.99 0.74 -0.46 -2.26 119.66 117.06 2bbq s GLN 151 Ca 0.02 -0.22 0.05 0.00 0.05 0.00 0.00 55.36 55.27 2bbq s GLN 151 Cb 0.04 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.52 2bbq s GLN 151 CO -0.09 0.10 0.38 -0.06 -0.55 0.00 0.00 175.29 175.08 2bbq s PHE 152 N 0.07 3.42 -0.14 1.67 0.08 -0.03 -1.55 117.98 121.49 2bbq s PHE 152 Ca -0.01 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 2bbq s PHE 152 Cb -0.05 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 2bbq s PHE 152 CO -0.00 0.37 0.42 -0.47 -0.10 0.00 0.00 175.22 175.44 2bbq s TYR 153 N -2.02 -0.44 -0.06 0.36 5.04 -0.83 -4.66 117.35 114.73 2bbq s TYR 153 Ca 0.36 1.06 0.06 0.00 -2.44 0.00 0.00 57.07 56.10 2bbq s TYR 153 Cb -0.09 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 2bbq s TYR 153 CO 0.30 -0.24 -0.23 0.08 -1.34 0.00 0.00 175.55 174.11 2bbq s VAL 154 N 0.07 1.91 0.00 3.14 1.01 -1.26 -1.02 120.40 124.26 2bbq s VAL 154 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2bbq s VAL 154 Cb -0.03 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2bbq s VAL 154 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.64 2bbq n ALA 155 N 3.04 0.87 -2.59 5.51 0.00 -0.92 -4.88 120.51 121.55 2bbq n ALA 155 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2bbq n ALA 155 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 2bbq n ALA 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bbq n ASP 156 N 0.00 6.97 -1.71 0.00 8.00 -1.26 -4.48 116.55 124.07 2bbq n ASP 156 Ca 0.00 -3.44 -0.19 0.00 0.71 0.00 0.00 54.79 51.87 2bbq n ASP 156 Cb 0.00 -1.27 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 2bbq n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbq n GLY 157 N 0.99 1.07 3.22 0.44 0.00 -1.26 -4.97 105.19 104.67 2bbq n GLY 157 Ca 0.43 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2bbq n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbq s LYS 158 N -4.07 2.55 -0.02 1.61 1.02 -1.26 -1.40 119.74 118.17 2bbq s LYS 158 Ca 0.00 -0.82 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 2bbq s LYS 158 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 2bbq s LYS 158 CO 0.00 0.27 0.80 -1.17 -0.92 0.00 0.00 175.35 174.33 2bbq s LEU 159 N 0.09 4.36 0.37 3.17 2.96 0.40 -2.17 118.68 127.86 2bbq s LEU 159 Ca -0.10 1.39 0.07 0.00 -0.22 0.00 0.00 54.13 55.27 2bbq s LEU 159 Cb -0.15 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 2bbq s LEU 159 CO 0.05 -0.13 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.51 2bbq s SER 160 N 0.65 3.42 -0.13 3.68 0.01 -0.19 -0.21 113.70 120.93 2bbq s SER 160 Ca 0.42 -1.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.25 2bbq s SER 160 Cb -0.19 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 65.77 2bbq s SER 160 CO 0.22 -0.43 0.35 0.00 0.41 0.00 0.00 173.24 173.79 2bbq s GLN 162 N 0.35 2.39 -0.07 0.00 0.74 -0.59 -0.33 119.66 122.14 2bbq s GLN 162 Ca -0.01 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.72 2bbq s GLN 162 Cb -0.03 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.16 2bbq s GLN 162 CO -0.01 0.16 -0.12 -1.17 -0.55 0.00 0.00 175.29 173.60 2bbq s LEU 163 N 0.34 2.87 -0.28 3.68 2.96 -0.44 -1.35 118.68 126.48 2bbq s LEU 163 Ca -0.14 -0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 2bbq s LEU 163 Cb -0.16 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2bbq s LEU 163 CO 0.06 0.33 0.12 -0.47 -1.32 0.00 0.00 176.35 175.07 2bbq s TYR 164 N -0.61 3.14 -0.26 5.38 5.04 -0.23 -0.85 117.35 128.97 2bbq s TYR 164 Ca 0.09 -0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 54.32 2bbq s TYR 164 Cb -0.11 -2.31 0.01 0.00 0.35 0.00 0.00 41.96 39.90 2bbq s TYR 164 CO 0.01 -0.35 0.02 -1.14 -1.34 0.00 0.00 175.55 172.75 2bbq s GLN 165 N 1.65 3.11 0.45 4.97 0.74 0.03 -2.24 119.66 128.37 2bbq s GLN 165 Ca 0.06 -0.82 0.25 0.00 0.05 0.00 0.00 55.36 54.90 2bbq s GLN 165 Cb -0.16 -3.19 0.66 0.00 1.10 0.00 0.00 33.01 31.42 2bbq s GLN 165 CO 0.06 -0.37 1.72 0.07 -0.55 0.00 0.00 175.29 176.22 2bbq h ARG 166 N 8.15 0.00 -3.38 1.67 -0.00 -1.37 0.32 114.38 119.77 2bbq h ARG 166 Ca -0.34 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.43 2bbq h ARG 166 Cb 1.13 0.00 -0.28 0.00 -0.00 0.00 0.00 29.97 30.82 2bbq h ARG 166 CO 0.59 0.10 -0.57 0.45 -0.00 0.00 0.00 179.97 180.54 2bbq s SER 167 N -6.10 -0.13 -0.08 0.08 0.15 -1.25 -1.68 113.70 104.68 2bbq s SER 167 Ca 0.04 0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.93 2bbq s SER 167 Cb 0.07 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2bbq s SER 167 CO 0.64 -0.07 0.08 0.00 1.20 0.00 0.00 173.24 175.09 2bbq s ASP 169 N 2.18 6.32 0.24 0.00 -1.08 -1.26 -1.59 116.67 121.47 2bbq s ASP 169 Ca 0.04 -0.42 -0.07 0.00 -0.52 0.00 0.00 52.55 51.57 2bbq s ASP 169 Cb -0.13 -2.43 0.22 0.00 -1.46 0.00 0.00 42.92 39.12 2bbq s ASP 169 CO -0.05 -1.25 1.91 0.58 0.52 0.00 0.00 175.17 176.88 2bbq h VAL 170 N 6.01 1.24 0.01 1.11 2.07 -1.60 -0.94 116.25 124.16 2bbq h VAL 170 Ca -0.26 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2bbq h VAL 170 Cb 1.07 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2bbq h VAL 170 CO 1.10 0.23 -0.14 0.15 0.02 0.00 0.00 177.57 178.93 2bbq h PHE 171 N 1.25 0.11 0.00 1.57 3.57 -1.92 -3.33 116.94 118.20 2bbq h PHE 171 Ca 0.34 -0.07 -0.30 0.00 3.53 0.00 0.00 57.97 61.46 2bbq h PHE 171 Cb -0.13 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2bbq h PHE 171 CO -0.01 0.96 -1.65 -0.11 -2.23 0.00 0.00 178.31 175.27 2bbq n LEU 172 N -4.57 1.93 -0.01 0.59 7.94 -1.22 -4.66 117.00 116.99 2bbq n LEU 172 Ca -0.10 0.39 -0.17 0.00 -1.11 0.00 0.00 56.01 55.01 2bbq n LEU 172 Cb 0.49 -0.93 -0.14 0.00 0.53 0.00 0.00 43.42 43.37 2bbq n LEU 172 CO 0.37 0.38 0.19 1.23 -1.11 0.00 0.00 177.39 178.45 2bbq h GLY 173 N -0.89 0.17 0.70 -3.96 0.00 -1.48 -3.39 103.07 94.21 2bbq h GLY 173 Ca -0.45 -0.43 0.09 0.00 0.00 0.00 0.00 47.33 46.55 2bbq h GLY 173 CO -0.26 0.37 0.59 -2.00 0.00 0.00 0.00 176.54 175.24 2bbq h LEU 174 N -0.69 0.84 -2.03 3.11 5.85 -1.33 -0.22 115.31 120.85 2bbq h LEU 174 Ca -0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2bbq h LEU 174 Cb 1.33 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2bbq h LEU 174 CO 0.07 0.50 0.10 1.55 -0.34 0.00 0.00 178.44 180.32 2bbq h PRO 175 N 0.93 0.00 -0.03 5.25 0.13 -1.75 -1.79 132.00 134.74 2bbq h PRO 175 Ca 0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.47 2bbq h PRO 175 Cb 0.38 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.52 2bbq h PRO 175 CO -0.18 0.00 -0.29 0.74 -0.23 0.00 0.00 178.00 178.03 2bbq h PHE 176 N 0.00 0.34 -0.22 1.56 -1.00 -1.28 -2.99 116.94 113.36 2bbq h PHE 176 Ca 0.07 -0.17 -0.07 0.00 2.81 0.00 0.00 57.97 60.61 2bbq h PHE 176 Cb 0.27 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2bbq h PHE 176 CO 0.00 0.94 -0.18 -0.91 -1.61 0.00 0.00 178.31 176.54 2bbq h ASN 177 N -0.35 0.36 -0.21 2.17 -0.26 -1.13 -1.64 115.58 114.53 2bbq h ASN 177 Ca -0.03 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.54 2bbq h ASN 177 Cb 1.00 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2bbq h ASN 177 CO 0.06 0.57 -0.16 0.40 -1.06 0.00 0.00 177.43 177.24 2bbq h ILE 178 N 0.34 1.32 -0.00 2.81 2.04 -1.41 -3.04 117.51 119.57 2bbq h ILE 178 Ca 0.06 -1.28 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 2bbq h ILE 178 Cb 0.52 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2bbq h ILE 178 CO 0.03 0.39 -0.54 0.00 0.00 0.00 0.00 178.15 178.04 2bbq h ALA 179 N 0.67 1.11 -0.04 1.87 0.00 -1.44 -2.73 119.26 118.70 2bbq h ALA 179 Ca 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2bbq h ALA 179 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2bbq h ALA 179 CO 0.04 0.67 0.01 1.03 0.00 0.00 0.00 179.25 181.00 2bbq h SER 180 N 0.01 0.07 0.27 0.00 0.87 -1.34 -2.44 113.55 110.98 2bbq h SER 180 Ca -0.01 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.17 2bbq h SER 180 Cb 0.95 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2bbq h SER 180 CO 0.07 0.30 -0.51 1.88 -0.53 0.00 0.00 176.83 178.05 2bbq h TYR 181 N -0.17 0.33 -0.68 2.24 0.05 -1.57 -2.03 116.97 115.14 2bbq h TYR 181 Ca 0.01 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.70 2bbq h TYR 181 Cb 0.26 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 2bbq h TYR 181 CO 0.01 0.72 0.44 0.00 -1.05 0.00 0.00 178.16 178.29 2bbq h ALA 182 N 1.26 0.87 -0.75 3.88 0.00 -1.44 -0.70 119.26 122.38 2bbq h ALA 182 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2bbq h ALA 182 Cb 0.97 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2bbq h ALA 182 CO 0.08 0.25 0.35 1.25 0.00 0.00 0.00 179.25 181.18 2bbq h LEU 183 N 0.89 1.00 -0.72 0.00 5.85 -1.24 -2.43 115.31 118.66 2bbq h LEU 183 Ca 0.26 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2bbq h LEU 183 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2bbq h LEU 183 CO -0.08 0.86 0.14 0.25 -0.34 0.00 0.00 178.44 179.28 2bbq h LEU 184 N 1.06 1.06 -0.55 2.25 5.85 -0.66 -1.57 115.31 122.75 2bbq h LEU 184 Ca 0.26 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2bbq h LEU 184 Cb 0.14 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2bbq h LEU 184 CO -0.03 1.04 0.18 0.58 -0.34 0.00 0.00 178.44 179.87 2bbq h VAL 185 N 1.05 1.23 -0.37 1.05 2.07 -0.98 0.27 116.25 120.58 2bbq h VAL 185 Ca 0.21 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2bbq h VAL 185 Cb 0.40 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2bbq h VAL 185 CO 0.01 0.29 -0.00 0.45 0.02 0.00 0.00 177.57 178.34 2bbq h HIS 186 N 0.77 0.61 -0.16 1.57 3.86 -1.14 -0.46 115.15 120.19 2bbq h HIS 186 Ca 0.18 -0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 59.12 2bbq h HIS 186 Cb 0.27 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.57 2bbq h HIS 186 CO 0.02 0.59 -0.67 0.52 0.86 0.00 0.00 177.93 179.25 2bbq h MET 187 N 0.56 0.74 -0.36 2.45 2.07 -0.88 -1.49 114.93 118.02 2bbq h MET 187 Ca 0.12 -0.58 -0.05 0.00 -2.07 0.00 0.00 59.70 57.12 2bbq h MET 187 Cb 0.36 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 2bbq h MET 187 CO 0.01 1.19 0.04 0.52 1.07 0.00 0.00 176.91 179.75 2bbq h MET 188 N 0.45 0.60 -0.09 1.72 2.86 -0.73 -2.46 114.93 117.28 2bbq h MET 188 Ca -0.04 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2bbq h MET 188 Cb 1.30 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 2bbq h MET 188 CO 0.14 0.68 0.05 0.00 1.06 0.00 0.00 176.91 178.84 2bbq h ALA 189 N 0.89 0.12 -0.83 6.32 0.00 -1.13 -1.07 119.26 123.55 2bbq h ALA 189 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2bbq h ALA 189 Cb 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2bbq h ALA 189 CO 0.01 -0.34 0.54 1.96 0.00 0.00 0.00 179.25 181.43 2bbq h GLN 190 N 0.04 0.88 -0.15 0.00 4.20 -1.20 -0.85 115.11 118.03 2bbq h GLN 190 Ca 0.03 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 2bbq h GLN 190 Cb 0.10 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2bbq h GLN 190 CO -0.00 0.58 -0.64 1.96 -0.67 0.00 0.00 178.83 180.06 2bbq h GLN 191 N 0.91 0.54 -0.04 1.46 1.08 -0.93 -3.18 115.11 114.96 2bbq h GLN 191 Ca 0.36 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2bbq h GLN 191 Cb 0.24 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2bbq h GLN 191 CO -0.13 1.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.75 2bbq n ASP 193 N 0.10 -4.49 -4.64 0.00 8.00 -0.39 -4.99 116.55 110.15 2bbq n ASP 193 Ca 0.19 -0.67 -0.23 0.00 0.71 0.00 0.00 54.79 54.79 2bbq n ASP 193 Cb 0.33 -4.56 -0.07 0.00 -0.02 0.00 0.00 41.12 36.80 2bbq n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bbq s LEU 194 N -7.07 3.17 0.51 0.64 1.43 -0.82 -5.04 118.68 111.50 2bbq s LEU 194 Ca 0.44 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 2bbq s LEU 194 Cb -0.21 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2bbq s LEU 194 CO 0.77 0.01 0.82 -1.61 0.23 0.00 0.00 176.35 176.58 2bbq s GLU 195 N -3.58 3.39 0.19 1.70 0.41 -0.49 -4.45 118.70 115.87 2bbq s GLU 195 Ca 0.31 0.17 -0.22 0.00 -0.41 0.00 0.00 54.97 54.81 2bbq s GLU 195 Cb -0.07 -2.34 -0.08 0.00 -1.78 0.00 0.00 34.13 29.86 2bbq s GLU 195 CO 0.19 -0.34 0.75 0.14 -0.49 0.00 0.00 175.26 175.51 2bbq s VAL 196 N -2.82 4.47 0.00 2.63 -7.23 -1.26 -0.45 120.40 115.74 2bbq s VAL 196 Ca 0.49 1.50 0.00 0.00 -1.81 0.00 0.00 61.98 62.16 2bbq s VAL 196 Cb -0.10 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2bbq s VAL 196 CO 0.45 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 176.22 2bbq n GLY 197 N 1.17 1.55 3.75 2.32 0.00 0.71 -4.59 105.19 110.11 2bbq n GLY 197 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2bbq n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bbq s ASP 198 N 0.50 5.44 -0.30 1.61 1.01 -1.26 -1.49 116.67 122.18 2bbq s ASP 198 Ca 0.00 0.01 -0.10 0.00 0.71 0.00 0.00 52.55 53.16 2bbq s ASP 198 Cb 0.00 -1.46 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 2bbq s ASP 198 CO 0.00 0.21 0.17 0.12 0.21 0.00 0.00 175.17 175.89 2bbq s PHE 199 N -1.28 3.19 -0.34 4.23 5.36 -0.48 -1.54 117.98 127.11 2bbq s PHE 199 Ca 0.26 -0.26 -0.14 0.00 -0.96 0.00 0.00 56.93 55.83 2bbq s PHE 199 Cb -0.12 -2.37 -0.01 0.00 -0.34 0.00 0.00 43.02 40.17 2bbq s PHE 199 CO 0.18 -0.33 0.32 0.08 -1.46 0.00 0.00 175.22 174.00 2bbq s VAL 200 N 1.68 5.21 -0.18 3.12 1.01 0.55 -1.19 120.40 130.61 2bbq s VAL 200 Ca 0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 2bbq s VAL 200 Cb -0.17 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2bbq s VAL 200 CO 0.08 -0.07 0.36 0.86 0.00 0.00 0.00 175.10 176.33 2bbq s TRP 201 N 1.90 3.42 -0.03 5.22 -0.00 0.19 -1.32 118.94 128.32 2bbq s TRP 201 Ca 0.09 0.62 0.07 0.00 -0.00 0.00 0.00 56.10 56.89 2bbq s TRP 201 Cb -0.17 -2.45 -0.02 0.00 -0.00 0.00 0.00 33.47 30.83 2bbq s TRP 201 CO 0.11 0.11 -0.23 0.99 -0.00 0.00 0.00 176.95 177.93 2bbq s THR 202 N 0.90 2.29 0.05 5.86 2.01 -0.03 -1.71 115.64 125.00 2bbq s THR 202 Ca 0.18 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.26 2bbq s THR 202 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2bbq s THR 202 CO 0.07 0.58 -0.26 -0.83 -0.69 0.00 0.00 174.62 173.49 2bbq s GLY 203 N -0.62 1.40 0.00 4.40 0.00 -0.55 -0.79 107.32 111.15 2bbq s GLY 203 Ca 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2bbq s GLY 203 CO -0.01 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.55 2bbq n GLY 204 N 1.76 1.38 3.56 0.20 0.00 0.11 -2.97 105.19 109.23 2bbq n GLY 204 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2bbq n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bbq s ASP 205 N -1.00 6.47 -0.27 1.61 -1.08 -0.68 -1.62 116.67 120.10 2bbq s ASP 205 Ca 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 52.06 2bbq s ASP 205 Cb 0.00 -2.41 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 2bbq s ASP 205 CO 0.00 -0.93 -0.01 -0.89 0.52 0.00 0.00 175.17 173.86 2bbq s THR 206 N 3.42 3.19 0.06 1.71 2.01 -0.25 -0.52 115.64 125.27 2bbq s THR 206 Ca 0.33 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2bbq s THR 206 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2bbq s THR 206 CO 0.23 0.12 -0.05 -1.38 -0.69 0.00 0.00 174.62 172.85 2bbq s HIS 207 N 1.36 0.64 -0.14 4.92 -3.43 -0.62 -1.12 115.29 116.90 2bbq s HIS 207 Ca 0.00 -0.94 0.02 0.00 -0.80 0.00 0.00 55.06 53.34 2bbq s HIS 207 Cb -0.17 -0.42 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 2bbq s HIS 207 CO -0.02 -0.27 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.73 2bbq s LEU 208 N -2.78 2.07 0.31 5.38 1.02 -0.37 -1.34 118.68 122.98 2bbq s LEU 208 Ca 0.06 -0.59 -0.29 0.00 0.02 0.00 0.00 54.13 53.33 2bbq s LEU 208 Cb 0.05 -1.41 -0.10 0.00 0.02 0.00 0.00 46.19 44.75 2bbq s LEU 208 CO -0.07 0.07 1.19 -0.31 0.02 0.00 0.00 176.35 177.25 2bbq s TYR 209 N 0.88 3.32 0.54 0.29 2.02 -1.26 -0.73 117.35 122.42 2bbq s TYR 209 Ca -0.06 1.57 0.31 0.00 -0.37 0.00 0.00 57.07 58.53 2bbq s TYR 209 Cb -0.15 -3.45 1.48 0.00 -0.40 0.00 0.00 41.96 39.43 2bbq s TYR 209 CO -0.03 -1.14 1.88 0.66 -1.57 0.00 0.00 175.55 175.35 2bbq h SER 210 N 3.54 0.00 -0.20 2.29 4.64 -1.23 -0.04 113.55 122.54 2bbq h SER 210 Ca -0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 2bbq h SER 210 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2bbq h SER 210 CO 0.66 0.00 0.02 -0.46 -0.87 0.00 0.00 176.83 176.18 2bbq n ASN 211 N -4.19 2.61 -0.15 4.97 6.94 -1.26 -3.68 115.26 120.49 2bbq n ASN 211 Ca 0.17 -2.32 0.07 0.00 -0.02 0.00 0.00 54.58 52.48 2bbq n ASN 211 Cb 0.94 -0.57 0.09 0.00 -2.36 0.00 0.00 39.78 37.89 2bbq n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2bbq n HIS 212 N 0.18 0.00 0.07 -2.53 8.25 -0.03 -4.75 115.22 116.40 2bbq n HIS 212 Ca 0.10 -0.71 -0.13 0.00 -0.26 0.00 0.00 57.72 56.72 2bbq n HIS 212 Cb 0.59 -0.12 -0.13 0.00 1.12 0.00 0.00 29.99 31.45 2bbq n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2bbq h MET 213 N 0.00 0.16 0.27 -0.41 2.86 -1.70 -2.60 114.93 113.50 2bbq h MET 213 Ca 0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2bbq h MET 213 Cb 1.04 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2bbq h MET 213 CO 0.00 1.06 -0.13 -0.44 1.06 0.00 0.00 176.91 178.46 2bbq h ASP 214 N 0.04 -0.31 -0.96 1.22 3.32 -1.89 -2.08 116.42 115.76 2bbq h ASP 214 Ca -0.14 -0.19 0.23 0.00 0.02 0.00 0.00 57.03 56.94 2bbq h ASP 214 Cb 1.93 0.08 -0.18 0.00 0.22 0.00 0.00 39.33 41.38 2bbq h ASP 214 CO 0.16 0.05 -0.09 1.56 -1.72 0.00 0.00 179.24 179.21 2bbq h GLN 215 N -0.70 0.01 -0.08 3.56 7.50 -1.93 -0.59 115.11 122.88 2bbq h GLN 215 Ca -0.04 -0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.12 2bbq h GLN 215 Cb 0.48 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 2bbq h GLN 215 CO 0.06 0.01 0.02 1.15 -1.50 0.00 0.00 178.83 178.57 2bbq h THR 216 N 0.01 0.98 0.00 -0.54 2.02 -1.26 -1.01 112.91 113.12 2bbq h THR 216 Ca 0.53 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.63 2bbq h THR 216 Cb 0.97 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2bbq h THR 216 CO -0.94 0.01 -0.30 0.45 0.37 0.00 0.00 175.52 175.12 2bbq h HIS 217 N 0.06 0.00 0.16 3.16 3.86 -0.47 -1.10 115.15 120.83 2bbq h HIS 217 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2bbq h HIS 217 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2bbq h HIS 217 CO -0.10 0.30 -0.08 1.25 0.86 0.00 0.00 177.93 180.16 2bbq h LEU 218 N 0.00 -0.18 -0.86 2.43 5.85 -0.93 -2.97 115.31 118.65 2bbq h LEU 218 Ca -0.00 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2bbq h LEU 218 Cb 0.74 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2bbq h LEU 218 CO 0.04 0.06 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.46 2bbq h GLN 219 N -0.42 0.70 0.00 1.25 4.15 -0.76 -1.80 115.11 118.23 2bbq h GLN 219 Ca -0.02 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2bbq h GLN 219 Cb 0.33 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2bbq h GLN 219 CO 0.04 0.81 0.00 -0.11 -1.93 0.00 0.00 178.83 177.63 2bbq n LEU 220 N -4.16 0.24 -1.13 -2.39 7.94 -0.45 -1.70 117.00 115.35 2bbq n LEU 220 Ca 0.01 0.55 0.07 0.00 -1.11 0.00 0.00 56.01 55.53 2bbq n LEU 220 Cb 0.37 -0.51 0.24 0.00 0.53 0.00 0.00 43.42 44.05 2bbq n LEU 220 CO 0.43 -0.32 0.68 -1.54 -1.11 0.00 0.00 177.39 175.53 2bbq n SER 221 N -1.76 3.27 -4.46 1.96 3.41 -0.67 -4.92 113.62 110.45 2bbq n SER 221 Ca 0.03 -2.24 -0.30 0.00 -0.26 0.00 0.00 58.87 56.11 2bbq n SER 221 Cb 0.22 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 2bbq n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bbq s ARG 222 N -1.66 1.77 -0.18 4.33 0.52 -0.69 -5.11 118.95 117.93 2bbq s ARG 222 Ca 0.35 -1.17 -0.17 0.00 -0.52 0.00 0.00 55.73 54.21 2bbq s ARG 222 Cb 0.22 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 2bbq s ARG 222 CO 0.18 0.49 0.46 -2.00 0.02 0.00 0.00 175.30 174.45 2bbq s GLU 223 N -1.96 4.22 0.13 3.54 2.56 -1.26 -5.05 118.70 120.88 2bbq s GLU 223 Ca 0.16 0.33 -0.35 0.00 0.00 0.00 0.00 54.97 55.12 2bbq s GLU 223 Cb -0.10 -3.52 -0.15 0.00 2.00 0.00 0.00 34.13 32.35 2bbq s GLU 223 CO 0.08 -0.03 1.41 -2.30 -0.56 0.00 0.00 175.26 173.86 2bbq n PRO 224 N 4.38 1.55 -2.27 4.30 -0.02 -1.26 -4.87 135.00 136.80 2bbq n PRO 224 Ca -0.07 0.56 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 2bbq n PRO 224 Cb 0.51 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2bbq n PRO 224 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bbq s ARG 225 N 0.47 2.50 0.13 -0.52 1.81 -1.26 -5.03 118.95 117.04 2bbq s ARG 225 Ca 0.80 -0.15 -0.34 0.00 -1.72 0.00 0.00 55.73 54.32 2bbq s ARG 225 Cb -0.83 -2.21 -0.17 0.00 -0.45 0.00 0.00 34.95 31.29 2bbq s ARG 225 CO 0.45 -1.02 1.08 -2.30 -0.68 0.00 0.00 175.30 172.83 2bbq n PRO 226 N -2.78 0.76 -2.04 3.54 -0.02 -1.26 -4.91 135.00 128.28 2bbq n PRO 226 Ca 0.07 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 2bbq n PRO 226 Cb 0.59 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2bbq n PRO 226 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bbq s LEU 227 N 0.80 4.35 1.07 2.45 2.96 -1.26 -4.83 118.68 124.22 2bbq s LEU 227 Ca 0.77 2.74 -0.17 0.00 -0.22 0.00 0.00 54.13 57.25 2bbq s LEU 227 Cb -0.96 -3.73 0.23 0.00 0.50 0.00 0.00 46.19 42.23 2bbq s LEU 227 CO 0.53 -0.69 1.19 -2.16 -1.32 0.00 0.00 176.35 173.90 2bbq s PRO 228 N -1.98 -0.19 -0.00 0.98 0.04 -1.26 -4.75 135.00 127.85 2bbq s PRO 228 Ca 0.52 -0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.50 2bbq s PRO 228 Cb -0.40 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2bbq s PRO 228 CO 0.54 -3.02 -0.19 0.15 0.04 0.00 0.00 177.00 174.52 2bbq s LYS 229 N -5.54 1.46 -0.14 4.56 -0.14 -0.70 -0.37 119.74 118.88 2bbq s LYS 229 Ca 0.71 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 54.55 2bbq s LYS 229 Cb -0.09 -1.45 -0.03 0.00 -1.68 0.00 0.00 37.83 34.59 2bbq s LYS 229 CO 0.55 0.39 -0.01 -1.17 -0.76 0.00 0.00 175.35 174.34 2bbq s LEU 230 N -0.62 3.42 -0.20 3.17 1.98 -1.26 -1.51 118.68 123.66 2bbq s LEU 230 Ca 0.07 -0.02 -0.02 0.00 -2.89 0.00 0.00 54.13 51.27 2bbq s LEU 230 Cb -0.08 -1.82 -0.00 0.00 0.66 0.00 0.00 46.19 44.96 2bbq s LEU 230 CO -0.00 0.23 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.97 2bbq s ILE 231 N -0.01 2.97 -0.18 6.68 -1.09 0.10 -4.97 121.20 124.71 2bbq s ILE 231 Ca 0.02 -0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 2bbq s ILE 231 Cb -0.13 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 2bbq s ILE 231 CO 0.02 0.47 0.15 -0.63 -1.23 0.00 0.00 174.94 173.72 2bbq s ILE 232 N 1.31 5.41 -2.70 2.92 1.01 -1.26 -0.68 121.20 127.21 2bbq s ILE 232 Ca 0.04 0.24 0.22 0.00 0.00 0.00 0.00 60.65 61.15 2bbq s ILE 232 Cb -0.14 -3.48 0.15 0.00 0.01 0.00 0.00 42.46 39.01 2bbq s ILE 232 CO -0.05 0.47 1.19 0.29 0.00 0.00 0.00 174.94 176.85 2bbq n LYS 233 N 3.19 2.02 -3.61 2.79 5.02 0.49 -4.92 118.16 123.13 2bbq n LYS 233 Ca -0.16 -1.72 -0.15 0.00 -2.02 0.00 0.00 58.31 54.25 2bbq n LYS 233 Cb 0.53 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 2bbq n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2bbq s ARG 234 N -1.96 0.86 -0.69 1.97 3.52 -1.26 -5.10 118.95 116.29 2bbq s ARG 234 Ca 0.25 0.47 -0.09 0.00 -0.13 0.00 0.00 55.73 56.23 2bbq s ARG 234 Cb 0.19 0.41 0.18 0.00 -1.56 0.00 0.00 34.95 34.17 2bbq s ARG 234 CO 0.32 -0.20 0.58 0.21 -0.81 0.00 0.00 175.30 175.39 2bbq s LYS 235 N -0.54 3.04 1.03 5.12 2.20 -1.26 -5.07 119.74 124.26 2bbq s LYS 235 Ca -0.06 -2.37 -0.12 0.00 -0.36 0.00 0.00 55.97 53.06 2bbq s LYS 235 Cb -0.03 -4.09 0.20 0.00 -1.51 0.00 0.00 37.83 32.40 2bbq s LYS 235 CO 0.05 -1.24 1.07 -1.25 -0.36 0.00 0.00 175.35 173.63 2bbq s PRO 236 N 0.30 0.20 0.18 4.03 0.04 -1.26 -4.94 135.00 133.54 2bbq s PRO 236 Ca 0.15 0.76 0.25 0.00 0.04 0.00 0.00 61.00 62.20 2bbq s PRO 236 Cb -0.17 -1.69 0.91 0.00 0.04 0.00 0.00 34.50 33.59 2bbq s PRO 236 CO -0.05 -2.95 1.75 0.39 0.04 0.00 0.00 177.00 176.18 2bbq n GLU 237 N -4.36 0.18 -3.80 4.56 -0.58 -1.26 -4.81 120.64 110.57 2bbq n GLU 237 Ca 0.05 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 56.95 2bbq n GLU 237 Cb 0.55 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 2bbq n GLU 237 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2bbq s SER 238 N -4.09 -0.22 0.56 1.62 1.04 -1.26 -5.02 113.70 106.32 2bbq s SER 238 Ca 0.09 -0.58 0.32 0.00 0.48 0.00 0.00 55.95 56.26 2bbq s SER 238 Cb 0.12 0.59 1.65 0.00 0.10 0.00 0.00 66.02 68.49 2bbq s SER 238 CO 0.49 -1.10 2.13 -0.29 0.98 0.00 0.00 173.24 175.46 2bbq h ILE 239 N 2.19 0.36 -0.22 -1.02 2.10 -1.94 -2.57 117.51 116.41 2bbq h ILE 239 Ca -0.27 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.27 2bbq h ILE 239 Cb 1.26 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 2bbq h ILE 239 CO 0.36 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.98 2bbq n PHE 240 N -3.45 0.36 0.00 2.19 3.72 -1.26 -3.98 117.46 115.03 2bbq n PHE 240 Ca -0.02 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2bbq n PHE 240 Cb 0.21 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2bbq n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bbq n ASP 241 N 0.18 1.69 -4.78 4.37 8.00 -0.97 -4.97 116.55 120.07 2bbq n ASP 241 Ca 0.08 -1.68 -0.34 0.00 0.71 0.00 0.00 54.79 53.56 2bbq n ASP 241 Cb 0.24 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 2bbq n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bbq s TYR 242 N -0.68 2.73 0.18 1.24 1.51 -1.26 -4.92 117.35 116.16 2bbq s TYR 242 Ca 0.00 1.54 0.07 0.00 -1.01 0.00 0.00 57.07 57.68 2bbq s TYR 242 Cb 0.00 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 2bbq s TYR 242 CO 0.00 -1.47 -0.14 1.03 -1.11 0.00 0.00 175.55 173.86 2bbq s ARG 243 N -3.68 1.24 0.25 -0.62 0.52 -1.26 -5.05 118.95 110.35 2bbq s ARG 243 Ca 0.69 -1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 2bbq s ARG 243 Cb -0.21 -1.04 0.47 0.00 0.52 0.00 0.00 34.95 34.69 2bbq s ARG 243 CO 0.33 0.18 1.76 0.35 0.02 0.00 0.00 175.30 177.93 2bbq h PHE 244 N 2.79 0.68 0.00 -0.53 3.57 -1.97 -1.98 116.94 119.49 2bbq h PHE 244 Ca -0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2bbq h PHE 244 Cb 1.21 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2bbq h PHE 244 CO 0.70 0.16 0.00 0.39 -2.23 0.00 0.00 178.31 177.33 2bbq n GLU 245 N -4.90 0.07 0.00 1.11 4.71 -1.26 -2.73 120.64 117.64 2bbq n GLU 245 Ca 0.15 0.50 0.15 0.00 -0.01 0.00 0.00 57.16 57.94 2bbq n GLU 245 Cb 0.39 -1.70 0.70 0.00 -1.01 0.00 0.00 31.44 29.82 2bbq n GLU 245 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2bbq n ASP 246 N -1.85 0.11 -4.42 1.62 8.00 -0.74 -4.77 116.55 114.50 2bbq n ASP 246 Ca 0.00 -0.16 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 2bbq n ASP 246 Cb 0.07 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 2bbq n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bbq s PHE 247 N -2.62 2.93 -0.11 1.24 0.08 -1.11 -0.38 117.98 118.01 2bbq s PHE 247 Ca 0.26 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.81 2bbq s PHE 247 Cb 0.20 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2bbq s PHE 247 CO 0.48 -0.19 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.97 2bbq s GLU 248 N 0.55 3.00 -0.25 0.44 0.41 0.14 -4.98 118.70 118.01 2bbq s GLU 248 Ca -0.05 -0.86 -0.08 0.00 -0.41 0.00 0.00 54.97 53.57 2bbq s GLU 248 Cb -0.15 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 2bbq s GLU 248 CO 0.03 0.11 0.10 0.42 -0.49 0.00 0.00 175.26 175.43 2bbq s ILE 249 N 0.51 4.56 -0.01 -1.63 -1.09 -1.26 0.01 121.20 122.28 2bbq s ILE 249 Ca -0.15 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2bbq s ILE 249 Cb -0.17 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2bbq s ILE 249 CO 0.05 0.32 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.27 2bbq s GLU 250 N 1.59 2.43 -0.36 2.79 2.56 -0.57 -4.71 118.70 122.42 2bbq s GLU 250 Ca 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 54.97 54.25 2bbq s GLU 250 Cb -0.15 -2.39 0.00 0.00 2.00 0.00 0.00 34.13 33.59 2bbq s GLU 250 CO 0.05 0.60 0.13 0.41 -0.56 0.00 0.00 175.26 175.89 2bbq n GLY 251 N 1.84 0.38 3.35 -1.50 0.00 -1.26 -1.71 105.19 106.29 2bbq n GLY 251 Ca -0.16 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2bbq n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bbq s TYR 252 N -2.64 3.27 -0.64 1.61 5.04 -1.26 -4.40 117.35 118.33 2bbq s TYR 252 Ca 0.07 -1.09 0.02 0.00 -2.44 0.00 0.00 57.07 53.62 2bbq s TYR 252 Cb -0.03 -2.75 0.16 0.00 0.35 0.00 0.00 41.96 39.69 2bbq s TYR 252 CO 0.08 -0.73 0.42 0.34 -1.34 0.00 0.00 175.55 174.32 2bbq s ASP 253 N 1.94 4.87 0.48 4.32 2.15 -1.26 -5.12 116.67 124.05 2bbq s ASP 253 Ca 0.03 -3.26 -0.02 0.00 0.43 0.00 0.00 52.55 49.73 2bbq s ASP 253 Cb -0.21 -1.73 -0.01 0.00 -0.30 0.00 0.00 42.92 40.67 2bbq s ASP 253 CO 0.06 -0.23 0.74 -2.16 -0.17 0.00 0.00 175.17 173.41 2bbq s PRO 254 N -0.64 3.19 1.17 4.34 0.04 -1.26 -4.87 135.00 136.97 2bbq s PRO 254 Ca 0.20 -0.19 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 2bbq s PRO 254 Cb -0.17 -2.46 0.27 0.00 0.04 0.00 0.00 34.50 32.18 2bbq s PRO 254 CO -0.06 -0.31 1.05 -1.01 0.04 0.00 0.00 177.00 176.71 2bbq s HIS 255 N -2.67 1.08 0.78 0.56 3.76 -0.18 -4.87 115.29 113.74 2bbq s HIS 255 Ca 0.48 0.87 -0.11 0.00 -0.15 0.00 0.00 55.06 56.15 2bbq s HIS 255 Cb -0.10 -3.18 0.06 0.00 1.11 0.00 0.00 32.58 30.47 2bbq s HIS 255 CO 0.41 -3.80 1.11 -2.14 -0.85 0.00 0.00 174.74 169.46 2bbq s PRO 256 N -4.90 2.15 0.71 8.40 0.02 -1.26 -3.01 135.00 137.11 2bbq s PRO 256 Ca 0.68 1.27 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 2bbq s PRO 256 Cb -0.18 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.49 2bbq s PRO 256 CO 0.60 -1.74 1.18 0.20 -0.33 0.00 0.00 177.00 176.91 2bbq s GLY 257 N -3.15 2.28 -0.22 0.52 0.00 -1.26 -3.58 107.32 101.91 2bbq s GLY 257 Ca 0.63 0.78 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2bbq s GLY 257 CO 0.54 1.17 -0.06 -0.42 0.00 0.00 0.00 173.10 174.33 2bbq s ILE 258 N -2.10 1.47 0.30 0.90 1.01 -1.26 -4.91 121.20 116.60 2bbq s ILE 258 Ca 0.72 -1.10 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2bbq s ILE 258 Cb -0.26 -1.70 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 2bbq s ILE 258 CO 0.44 -0.04 1.05 -0.54 0.00 0.00 0.00 174.94 175.86 2bbq s LYS 259 N 1.44 4.59 0.04 2.79 -0.14 -1.26 -5.07 119.74 122.13 2bbq s LYS 259 Ca -0.04 1.66 -0.02 0.00 -1.36 0.00 0.00 55.97 56.21 2bbq s LYS 259 Cb -0.18 -3.07 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2bbq s LYS 259 CO -0.07 0.21 0.01 0.00 -0.76 0.00 0.00 175.35 174.75 2bbq s ALA 260 N -1.28 0.19 0.33 5.17 0.00 -1.26 -4.99 121.76 119.92 2bbq s ALA 260 Ca 0.47 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2bbq s ALA 260 Cb -0.28 0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 2bbq s ALA 260 CO 0.36 -0.29 0.88 -1.25 0.00 0.00 0.00 175.76 175.47 2bbq s PRO 261 N -2.69 4.38 0.17 0.00 0.04 -1.26 -5.07 135.00 130.57 2bbq s PRO 261 Ca -0.04 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 2bbq s PRO 261 Cb -0.01 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 2bbq s PRO 261 CO -0.05 0.22 0.68 0.08 0.04 0.00 0.00 177.00 177.96 2bbq s VAL 262 N -1.77 4.61 -0.16 -0.36 1.01 -1.26 -5.01 120.40 117.46 2bbq s VAL 262 Ca 0.52 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 2bbq s VAL 262 Cb -0.15 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2bbq s VAL 262 CO 0.20 0.35 0.52 0.00 0.00 0.00 0.00 175.10 176.17 2bbq s ALA 263 N -1.35 3.51 -2.68 5.51 0.00 -1.26 -5.22 121.76 120.27 2bbq s ALA 263 Ca 0.38 -0.29 0.27 0.00 0.00 0.00 0.00 51.96 52.32 2bbq s ALA 263 Cb -0.18 -2.76 0.73 0.00 0.00 0.00 0.00 23.12 20.91 2bbq s ALA 263 CO 0.21 -0.26 1.57 -0.89 0.00 0.00 0.00 175.76 176.39