#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bhq n THR 2 N 0.00 0.30 -4.35 2.03 -2.24 -1.26 -5.03 114.28 103.73 2bhq n THR 2 Ca 0.00 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.98 2bhq n THR 2 Cb 0.00 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 2bhq n THR 2 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bhq s VAL 3 N -0.30 1.02 0.76 2.28 -7.23 -1.26 -5.14 120.40 110.54 2bhq s VAL 3 Ca 0.00 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.00 2bhq s VAL 3 Cb 0.00 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.56 2bhq s VAL 3 CO 0.00 -0.24 1.19 -1.61 -0.31 0.00 0.00 175.10 174.13 2bhq s GLU 4 N -3.88 1.94 0.62 4.82 0.41 -1.26 -4.94 118.70 116.41 2bhq s GLU 4 Ca 0.31 1.71 -0.19 0.00 -0.41 0.00 0.00 54.97 56.38 2bhq s GLU 4 Cb 0.06 -1.82 -0.02 0.00 -1.78 0.00 0.00 34.13 30.57 2bhq s GLU 4 CO 0.10 -1.97 1.31 -2.14 -0.49 0.00 0.00 175.26 172.07 2bhq s PRO 5 N -4.07 2.74 0.34 0.39 0.02 -1.26 -4.89 135.00 128.27 2bhq s PRO 5 Ca 0.73 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 63.58 2bhq s PRO 5 Cb -0.28 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 2bhq s PRO 5 CO 0.48 -1.47 1.43 0.34 -0.33 0.00 0.00 177.00 177.45 2bhq n PHE 6 N -1.63 2.66 -3.87 6.54 7.35 -1.26 -5.02 117.46 122.22 2bhq n PHE 6 Ca 0.14 0.45 -0.11 0.00 -0.76 0.00 0.00 57.45 57.17 2bhq n PHE 6 Cb 0.47 -2.50 -0.12 0.00 0.35 0.00 0.00 39.48 37.68 2bhq n PHE 6 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bhq s ARG 7 N -1.61 0.18 0.34 -4.13 0.52 -1.26 -5.14 118.95 107.85 2bhq s ARG 7 Ca 0.57 -0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 55.41 2bhq s ARG 7 Cb -0.53 0.08 -0.09 0.00 0.52 0.00 0.00 34.95 34.93 2bhq s ARG 7 CO 0.60 -0.03 1.15 -0.80 0.02 0.00 0.00 175.30 176.23 2bhq s ASN 8 N -0.44 6.88 0.10 0.23 -0.87 -1.26 -4.97 114.94 114.60 2bhq s ASN 8 Ca -0.05 2.33 -0.31 0.00 -1.57 0.00 0.00 52.86 53.26 2bhq s ASN 8 Cb -0.03 -2.62 -0.08 0.00 -0.02 0.00 0.00 41.25 38.50 2bhq s ASN 8 CO 0.00 -0.43 1.48 -0.70 -2.57 0.00 0.00 177.10 174.89 2bhq s GLU 9 N -1.91 4.27 0.45 -0.60 2.56 -1.26 -4.95 118.70 117.25 2bhq s GLU 9 Ca 0.51 2.17 -0.25 0.00 0.00 0.00 0.00 54.97 57.40 2bhq s GLU 9 Cb -0.32 -3.34 -0.08 0.00 2.00 0.00 0.00 34.13 32.39 2bhq s GLU 9 CO 0.40 -0.55 1.41 -2.14 -0.56 0.00 0.00 175.26 173.82 2bhq s PRO 10 N 1.60 3.72 -0.30 4.30 0.02 -1.26 -4.90 135.00 138.19 2bhq s PRO 10 Ca 0.67 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.90 2bhq s PRO 10 Cb -0.38 -2.67 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 2bhq s PRO 10 CO 0.30 -0.78 0.53 0.42 -0.33 0.00 0.00 177.00 177.15 2bhq s ILE 11 N -1.21 5.03 0.22 2.83 1.01 -1.26 -4.92 121.20 122.89 2bhq s ILE 11 Ca 0.60 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.66 2bhq s ILE 11 Cb -0.43 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 2bhq s ILE 11 CO 0.55 -0.04 1.56 -0.70 0.00 0.00 0.00 174.94 176.31 2bhq s GLU 12 N 2.39 4.20 -0.01 2.79 2.56 -1.26 -4.91 118.70 124.47 2bhq s GLU 12 Ca 0.21 2.42 0.18 0.00 0.00 0.00 0.00 54.97 57.78 2bhq s GLU 12 Cb -0.15 -3.11 -0.22 0.00 2.00 0.00 0.00 34.13 32.65 2bhq s GLU 12 CO 0.11 -0.58 0.69 0.25 -0.56 0.00 0.00 175.26 175.17 2bhq n THR 13 N 3.21 0.00 -3.63 -1.70 -2.24 -1.26 -4.71 114.28 103.95 2bhq n THR 13 Ca 0.11 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 2bhq n THR 13 Cb 0.38 0.79 0.07 0.00 -2.10 0.00 0.00 70.33 69.47 2bhq n THR 13 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bhq n PHE 14 N -1.60 -2.83 0.37 4.78 3.01 -1.26 -4.90 117.46 115.03 2bhq n PHE 14 Ca 0.02 1.01 0.12 0.00 1.01 0.00 0.00 57.45 59.60 2bhq n PHE 14 Cb 0.33 -4.94 0.11 0.00 -0.01 0.00 0.00 39.48 34.98 2bhq n PHE 14 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2bhq h GLN 15 N -2.65 0.00 -6.27 -1.08 1.08 -1.97 -3.43 115.11 100.80 2bhq h GLN 15 Ca -0.57 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.13 2bhq h GLN 15 Cb 1.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.79 2bhq h GLN 15 CO 0.57 0.00 -0.34 0.95 -0.95 0.00 0.00 178.83 179.07 2bhq s THR 16 N -3.24 5.21 0.16 -0.54 -4.23 -1.26 -5.02 115.64 106.72 2bhq s THR 16 Ca 0.04 -0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 59.87 2bhq s THR 16 Cb 0.11 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 70.20 2bhq s THR 16 CO 0.74 -0.29 1.64 -0.08 -0.54 0.00 0.00 174.62 176.08 2bhq h GLU 17 N 1.52 0.93 -0.96 3.99 4.57 -2.00 -2.66 114.58 119.97 2bhq h GLU 17 Ca -0.49 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.43 2bhq h GLU 17 Cb 1.21 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 2bhq h GLU 17 CO 0.65 0.92 0.63 1.49 -1.18 0.00 0.00 179.01 181.52 2bhq h GLU 18 N 0.82 1.26 -0.38 1.92 4.57 -1.98 0.06 114.58 120.84 2bhq h GLU 18 Ca 0.16 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2bhq h GLU 18 Cb 0.46 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2bhq h GLU 18 CO 0.02 0.83 0.07 0.00 -1.18 0.00 0.00 179.01 178.75 2bhq h ALA 19 N 1.40 0.50 -0.56 2.92 0.00 -1.89 -0.35 119.26 121.29 2bhq h ALA 19 Ca 0.35 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2bhq h ALA 19 Cb -0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2bhq h ALA 19 CO -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 2bhq h ARG 20 N 0.47 0.99 -0.41 0.00 3.08 -1.12 -1.40 114.38 115.99 2bhq h ARG 20 Ca 0.12 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 2bhq h ARG 20 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2bhq h ARG 20 CO 0.01 1.00 0.15 -0.09 -1.07 0.00 0.00 179.97 179.96 2bhq h ARG 21 N 0.90 0.63 -0.63 0.04 2.43 -0.83 -0.81 114.38 116.12 2bhq h ARG 21 Ca 0.16 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2bhq h ARG 21 Cb 0.58 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2bhq h ARG 21 CO 0.04 0.61 0.24 0.00 -1.51 0.00 0.00 179.97 179.35 2bhq h ALA 22 N 0.99 1.24 -0.25 2.80 0.00 -0.87 -1.03 119.26 122.14 2bhq h ALA 22 Ca 0.14 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2bhq h ALA 22 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bhq h ALA 22 CO -0.01 0.55 -0.22 1.98 0.00 0.00 0.00 179.25 181.56 2bhq h MET 23 N 0.90 0.58 -0.95 0.00 1.85 -0.97 -1.57 114.93 114.78 2bhq h MET 23 Ca 0.21 -0.30 0.01 0.00 -0.61 0.00 0.00 59.70 59.01 2bhq h MET 23 Cb 0.19 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.18 2bhq h MET 23 CO -0.02 0.89 0.63 0.00 -0.40 0.00 0.00 176.91 178.01 2bhq h ARG 24 N 0.29 1.25 -0.73 0.39 3.08 -0.84 0.11 114.38 117.93 2bhq h ARG 24 Ca 0.04 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2bhq h ARG 24 Cb 0.76 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2bhq h ARG 24 CO 0.06 0.83 0.28 1.49 -1.07 0.00 0.00 179.97 181.55 2bhq h GLU 25 N 1.28 1.10 -0.42 0.04 4.81 -1.10 -1.32 114.58 118.97 2bhq h GLU 25 Ca 0.35 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2bhq h GLU 25 Cb -0.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 2bhq h GLU 25 CO -0.08 0.91 -0.06 0.00 -0.73 0.00 0.00 179.01 179.05 2bhq h ALA 26 N 1.13 0.57 -0.88 2.92 0.00 -0.45 -1.61 119.26 120.94 2bhq h ALA 26 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bhq h ALA 26 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2bhq h ALA 26 CO -0.02 0.41 0.51 -0.07 0.00 0.00 0.00 179.25 180.09 2bhq h LEU 27 N 0.60 1.07 -0.26 0.00 3.38 -0.61 -0.62 115.31 118.87 2bhq h LEU 27 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2bhq h LEU 27 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bhq h LEU 27 CO 0.03 0.83 0.05 -0.09 0.09 0.00 0.00 178.44 179.36 2bhq h ARG 28 N 1.21 0.42 -0.58 1.13 2.43 -1.04 -1.83 114.38 116.13 2bhq h ARG 28 Ca 0.31 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2bhq h ARG 28 Cb -0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2bhq h ARG 28 CO -0.06 0.53 0.34 -0.09 -1.51 0.00 0.00 179.97 179.18 2bhq h ARG 29 N 0.24 0.78 -0.47 0.20 2.43 -0.98 -1.36 114.38 115.22 2bhq h ARG 29 Ca 0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bhq h ARG 29 Cb 0.30 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2bhq h ARG 29 CO 0.00 0.57 0.24 0.28 -1.51 0.00 0.00 179.97 179.55 2bhq h VAL 30 N 0.78 1.18 0.00 0.20 2.07 -1.02 -2.72 116.25 116.73 2bhq h VAL 30 Ca 0.21 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2bhq h VAL 30 Cb -0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2bhq h VAL 30 CO -0.04 0.19 -0.43 0.08 0.02 0.00 0.00 177.57 177.39 2bhq h ARG 31 N 0.62 0.00 0.00 1.57 0.11 -1.16 -1.71 114.38 113.81 2bhq h ARG 31 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2bhq h ARG 31 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2bhq h ARG 31 CO -0.02 0.43 0.00 0.93 0.10 0.00 0.00 179.97 181.41 2bhq h GLU 32 N 0.00 0.00 -0.46 0.08 5.08 -0.96 -2.35 114.58 115.97 2bhq h GLU 32 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bhq h GLU 32 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2bhq h GLU 32 CO 0.06 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 2bhq n GLU 33 N -2.65 3.39 0.28 2.33 1.02 -0.65 -4.59 120.64 119.76 2bhq n GLU 33 Ca 0.01 -2.70 0.18 0.00 -0.02 0.00 0.00 57.16 54.63 2bhq n GLU 33 Cb 0.24 -1.76 0.95 0.00 -0.02 0.00 0.00 31.44 30.85 2bhq n GLU 33 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2bhq h PHE 34 N 2.93 0.00 -0.00 -0.32 0.04 -1.27 -1.44 116.94 116.87 2bhq h PHE 34 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bhq h PHE 34 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 2bhq h PHE 34 CO 0.59 0.00 -0.02 0.41 -0.60 0.00 0.00 178.31 178.68 2bhq n GLY 35 N -1.28 -0.94 3.76 -1.45 0.00 -1.26 -2.35 105.19 101.67 2bhq n GLY 35 Ca -0.01 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2bhq n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhq s ARG 36 N -2.22 3.24 -0.10 1.61 0.52 -0.55 -4.84 118.95 116.61 2bhq s ARG 36 Ca 0.39 1.88 0.03 0.00 -0.52 0.00 0.00 55.73 57.50 2bhq s ARG 36 Cb 0.21 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 2bhq s ARG 36 CO 0.41 -1.01 -0.18 -1.58 0.02 0.00 0.00 175.30 172.96 2bhq s HIS 37 N -1.53 2.67 -0.21 -0.53 5.65 -1.26 -1.99 115.29 118.09 2bhq s HIS 37 Ca 0.72 -0.68 -0.01 0.00 0.25 0.00 0.00 55.06 55.35 2bhq s HIS 37 Cb -0.31 -1.73 0.01 0.00 -1.18 0.00 0.00 32.58 29.36 2bhq s HIS 37 CO 0.36 -0.20 -0.12 0.71 -0.65 0.00 0.00 174.74 174.84 2bhq s TYR 38 N 0.09 2.90 0.82 3.88 1.51 0.44 -4.98 117.35 122.01 2bhq s TYR 38 Ca -0.08 -1.40 -0.14 0.00 -1.01 0.00 0.00 57.07 54.44 2bhq s TYR 38 Cb -0.15 -2.01 0.19 0.00 -0.11 0.00 0.00 41.96 39.89 2bhq s TYR 38 CO 0.05 -0.71 0.96 -2.30 -1.11 0.00 0.00 175.55 172.45 2bhq n PRO 39 N 4.68 -1.57 -1.90 -1.71 -0.02 -1.26 -1.02 135.00 132.20 2bhq n PRO 39 Ca -0.19 -1.50 -0.30 0.00 -2.02 0.00 0.00 63.50 59.49 2bhq n PRO 39 Cb 0.50 -1.12 0.06 0.00 -0.02 0.00 0.00 33.50 32.91 2bhq n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bhq s LEU 40 N 0.00 2.82 -0.23 2.45 1.43 0.39 -4.63 118.68 120.91 2bhq s LEU 40 Ca 0.57 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2bhq s LEU 40 Cb -0.03 -3.77 0.06 0.00 0.03 0.00 0.00 46.19 42.48 2bhq s LEU 40 CO 0.41 -1.46 -0.06 -0.47 0.23 0.00 0.00 176.35 175.00 2bhq s TYR 41 N -3.40 2.35 -0.04 0.29 5.04 -0.87 -0.33 117.35 120.39 2bhq s TYR 41 Ca 0.59 -1.71 0.01 0.00 -2.44 0.00 0.00 57.07 53.52 2bhq s TYR 41 Cb -0.11 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.66 2bhq s TYR 41 CO 0.51 -0.76 -0.04 0.42 -1.34 0.00 0.00 175.55 174.34 2bhq s ILE 42 N 1.41 0.45 -1.43 3.14 1.01 -0.35 -0.31 121.20 125.11 2bhq s ILE 42 Ca -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 2bhq s ILE 42 Cb -0.19 -0.48 0.05 0.00 0.01 0.00 0.00 42.46 41.86 2bhq s ILE 42 CO -0.06 0.19 0.88 0.61 0.00 0.00 0.00 174.94 176.56 2bhq n GLY 43 N 3.91 -0.41 2.29 6.18 0.00 -1.26 -2.30 105.19 113.60 2bhq n GLY 43 Ca -0.24 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bhq n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 44 N -1.66 0.50 3.10 -0.02 0.00 -1.26 -4.43 105.19 101.42 2bhq n GLY 44 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2bhq n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bhq s GLU 45 N -0.24 0.54 -0.10 1.61 -1.05 -0.97 -4.96 118.70 113.53 2bhq s GLU 45 Ca 0.00 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 53.85 2bhq s GLU 45 Cb 0.00 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 2bhq s GLU 45 CO 0.00 -0.13 1.01 -1.58 0.95 0.00 0.00 175.26 175.51 2bhq s TRP 46 N -2.26 3.52 -0.15 4.83 0.52 -1.26 -1.21 118.94 122.93 2bhq s TRP 46 Ca -0.08 1.60 0.01 0.00 0.02 0.00 0.00 56.10 57.65 2bhq s TRP 46 Cb -0.03 -3.19 0.02 0.00 -1.15 0.00 0.00 33.47 29.12 2bhq s TRP 46 CO -0.03 -0.22 -0.18 0.08 0.02 0.00 0.00 176.95 176.62 2bhq s VAL 47 N 1.94 1.87 0.51 4.03 1.01 0.55 -4.92 120.40 125.38 2bhq s VAL 47 Ca 0.49 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2bhq s VAL 47 Cb -0.19 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2bhq s VAL 47 CO 0.19 0.51 0.76 -0.62 0.00 0.00 0.00 175.10 175.94 2bhq s ASP 48 N 1.18 5.65 0.24 3.32 -1.08 -1.26 -0.46 116.67 124.25 2bhq s ASP 48 Ca 0.00 0.36 0.03 0.00 -0.52 0.00 0.00 52.55 52.42 2bhq s ASP 48 Cb -0.14 -1.46 -0.05 0.00 -1.46 0.00 0.00 42.92 39.81 2bhq s ASP 48 CO -0.08 -0.90 0.02 0.42 0.52 0.00 0.00 175.17 175.16 2bhq s THR 49 N -2.73 0.92 0.01 1.71 -4.23 -1.26 -4.94 115.64 105.12 2bhq s THR 49 Ca 0.52 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 2bhq s THR 49 Cb -0.10 -2.44 -0.18 0.00 1.34 0.00 0.00 72.50 71.12 2bhq s THR 49 CO 0.40 -0.23 1.32 0.50 -0.54 0.00 0.00 174.62 176.06 2bhq h LYS 50 N 2.43 -0.15 -7.18 3.99 1.63 -2.00 -3.45 116.57 111.84 2bhq h LYS 50 Ca -0.38 0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 58.93 2bhq h LYS 50 Cb 1.23 0.03 0.04 0.00 -0.60 0.00 0.00 32.23 32.93 2bhq h LYS 50 CO 0.64 0.20 0.32 -1.21 -3.45 0.00 0.00 179.45 175.95 2bhq s GLU 51 N -4.68 3.71 0.17 1.90 0.41 -1.26 -5.05 118.70 113.90 2bhq s GLU 51 Ca -0.15 0.68 0.01 0.00 -0.41 0.00 0.00 54.97 55.10 2bhq s GLU 51 Cb 0.02 -2.18 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 2bhq s GLU 51 CO 0.62 -0.36 0.03 -0.98 -0.49 0.00 0.00 175.26 174.08 2bhq s ARG 52 N -4.63 1.07 0.03 1.61 1.70 -1.26 -3.21 118.95 114.26 2bhq s ARG 52 Ca 0.54 -1.52 0.07 0.00 -0.47 0.00 0.00 55.73 54.35 2bhq s ARG 52 Cb -0.10 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.17 2bhq s ARG 52 CO 0.43 -0.20 -0.17 -1.64 -1.08 0.00 0.00 175.30 172.64 2bhq s MET 53 N -3.98 2.15 -0.14 3.89 -1.94 0.27 -4.87 119.30 114.68 2bhq s MET 53 Ca 0.25 -0.93 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2bhq s MET 53 Cb 0.07 -2.22 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 2bhq s MET 53 CO 0.04 0.55 -0.09 0.08 -0.01 0.00 0.00 175.02 175.60 2bhq s VAL 54 N -0.89 3.43 -0.18 -6.03 1.01 -1.26 -1.50 120.40 114.98 2bhq s VAL 54 Ca 0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2bhq s VAL 54 Cb -0.11 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2bhq s VAL 54 CO 0.05 0.52 0.04 -0.55 0.00 0.00 0.00 175.10 175.15 2bhq s SER 55 N 0.29 5.45 0.23 3.32 0.15 -0.43 -5.02 113.70 117.68 2bhq s SER 55 Ca -0.07 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.69 2bhq s SER 55 Cb -0.15 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2bhq s SER 55 CO 0.04 0.17 0.13 -0.76 1.20 0.00 0.00 173.24 174.03 2bhq s LEU 56 N 0.36 3.66 -0.42 3.45 1.43 -1.26 -0.82 118.68 125.08 2bhq s LEU 56 Ca 0.01 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 2bhq s LEU 56 Cb -0.13 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2bhq s LEU 56 CO 0.01 0.00 0.77 0.21 0.23 0.00 0.00 176.35 177.57 2bhq s ASN 57 N -3.57 6.45 0.33 2.29 3.84 -0.65 -4.75 114.94 118.87 2bhq s ASN 57 Ca 0.32 0.04 0.23 0.00 0.21 0.00 0.00 52.86 53.66 2bhq s ASN 57 Cb -0.08 -2.38 1.19 0.00 -0.55 0.00 0.00 41.25 39.43 2bhq s ASN 57 CO 0.23 -0.84 1.71 1.55 -2.79 0.00 0.00 177.10 176.96 2bhq h PRO 58 N 8.80 0.00 0.00 0.43 0.13 -1.77 0.28 132.00 139.86 2bhq h PRO 58 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2bhq h PRO 58 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bhq h PRO 58 CO 0.94 0.00 -0.45 0.43 -0.23 0.00 0.00 178.00 178.68 2bhq n SER 59 N -2.31 0.46 -2.73 1.44 7.64 -1.26 -2.07 113.62 114.79 2bhq n SER 59 Ca -0.01 -0.13 -0.05 0.00 1.01 0.00 0.00 58.87 59.69 2bhq n SER 59 Cb 0.08 0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.48 2bhq n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bhq n ALA 60 N -1.53 -2.29 0.13 -0.43 0.00 0.05 -4.02 120.51 112.42 2bhq n ALA 60 Ca 0.05 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.68 2bhq n ALA 60 Cb 0.34 -2.01 0.28 0.00 0.00 0.00 0.00 19.45 18.07 2bhq n ALA 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bhq n PRO 61 N 2.19 0.07 0.00 0.00 -0.04 0.75 -0.52 135.00 137.46 2bhq n PRO 61 Ca 0.11 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2bhq n PRO 61 Cb 0.62 -2.00 0.60 0.00 -0.04 0.00 0.00 33.50 32.68 2bhq n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bhq n SER 62 N -1.89 0.48 -4.59 3.54 3.41 -1.26 -4.64 113.62 108.67 2bhq n SER 62 Ca -0.01 -0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 57.68 2bhq n SER 62 Cb 0.28 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 2bhq n SER 62 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2bhq s GLU 63 N -2.50 3.94 -0.04 4.33 2.12 0.32 -5.05 118.70 121.83 2bhq s GLU 63 Ca 0.28 -0.34 -0.24 0.00 0.36 0.00 0.00 54.97 55.03 2bhq s GLU 63 Cb 0.20 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2bhq s GLU 63 CO 0.48 -0.02 0.74 0.08 -0.54 0.00 0.00 175.26 176.01 2bhq s VAL 64 N 1.24 4.98 -2.33 3.70 1.01 -1.26 -1.64 120.40 126.09 2bhq s VAL 64 Ca 0.06 1.54 0.23 0.00 0.00 0.00 0.00 61.98 63.81 2bhq s VAL 64 Cb -0.14 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2bhq s VAL 64 CO 0.05 0.26 1.15 1.33 0.00 0.00 0.00 175.10 177.89 2bhq n VAL 65 N 3.63 0.00 0.00 2.92 0.24 0.00 -4.76 118.33 120.36 2bhq n VAL 65 Ca -0.01 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2bhq n VAL 65 Cb 0.51 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 2bhq n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bhq n GLY 66 N 1.40 2.66 3.19 7.63 0.00 -0.99 -4.43 105.19 114.65 2bhq n GLY 66 Ca 0.11 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 2bhq n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bhq s THR 67 N -2.00 1.00 0.21 2.61 -4.23 -0.84 -1.31 115.64 111.08 2bhq s THR 67 Ca 0.00 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2bhq s THR 67 Cb 0.00 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 2bhq s THR 67 CO 0.00 -0.57 0.08 0.42 -0.54 0.00 0.00 174.62 174.01 2bhq s THR 68 N -2.52 0.40 0.94 3.99 -4.23 -0.56 -0.42 115.64 113.23 2bhq s THR 68 Ca 0.07 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 2bhq s THR 68 Cb -0.02 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.58 2bhq s THR 68 CO 0.00 -0.18 1.11 0.00 -0.54 0.00 0.00 174.62 175.01 2bhq s ALA 69 N -3.86 1.39 -0.18 3.99 0.00 -0.19 -0.57 121.76 122.34 2bhq s ALA 69 Ca 0.33 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2bhq s ALA 69 Cb 0.07 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.13 2bhq s ALA 69 CO 0.09 -2.51 -0.05 0.21 0.00 0.00 0.00 175.76 173.50 2bhq s LYS 70 N -5.07 1.49 0.33 0.00 2.20 -1.20 -4.43 119.74 113.07 2bhq s LYS 70 Ca 0.64 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 55.36 2bhq s LYS 70 Cb -0.17 -2.16 -0.10 0.00 -1.51 0.00 0.00 37.83 33.90 2bhq s LYS 70 CO 0.56 -0.47 0.97 0.00 -0.36 0.00 0.00 175.35 176.05 2bhq s ALA 71 N 1.58 3.21 0.00 3.13 0.00 -0.00 -4.86 121.76 124.82 2bhq s ALA 71 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2bhq s ALA 71 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2bhq s ALA 71 CO -0.08 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.20 2bhq n GLY 72 N 0.62 4.34 0.35 0.00 0.00 -1.26 -4.67 105.19 104.56 2bhq n GLY 72 Ca 0.02 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 2bhq n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhq h LYS 73 N 0.00 1.08 -0.63 1.61 1.57 -1.97 -1.62 116.57 116.61 2bhq h LYS 73 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2bhq h LYS 73 Cb 0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2bhq h LYS 73 CO 0.00 0.74 0.40 0.00 -0.57 0.00 0.00 179.45 180.02 2bhq h ALA 74 N 1.46 0.80 -0.13 3.86 0.00 -1.99 -0.04 119.26 123.22 2bhq h ALA 74 Ca 0.29 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2bhq h ALA 74 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2bhq h ALA 74 CO -0.06 0.26 -0.54 0.93 0.00 0.00 0.00 179.25 179.84 2bhq h GLU 75 N 0.86 0.38 -0.59 0.00 3.07 -1.87 -1.71 114.58 114.72 2bhq h GLU 75 Ca 0.23 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2bhq h GLU 75 Cb -0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2bhq h GLU 75 CO -0.05 0.83 0.14 0.00 -1.40 0.00 0.00 179.01 178.52 2bhq h ALA 76 N 1.13 0.78 -0.53 3.43 0.00 -0.80 -0.13 119.26 123.13 2bhq h ALA 76 Ca 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2bhq h ALA 76 Cb 1.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2bhq h ALA 76 CO 0.09 0.49 0.09 1.49 0.00 0.00 0.00 179.25 181.42 2bhq h GLU 77 N 0.86 0.87 -0.77 0.00 4.57 -0.88 -0.57 114.58 118.66 2bhq h GLU 77 Ca 0.18 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2bhq h GLU 77 Cb 0.36 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2bhq h GLU 77 CO 0.00 0.85 0.35 0.00 -1.18 0.00 0.00 179.01 179.03 2bhq h ALA 78 N 0.99 1.17 -0.51 2.92 0.00 -1.03 -0.99 119.26 121.80 2bhq h ALA 78 Ca 0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2bhq h ALA 78 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bhq h ALA 78 CO 0.01 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 2bhq h ALA 79 N 1.28 0.70 -0.69 0.00 0.00 -0.69 -1.76 119.26 118.10 2bhq h ALA 79 Ca 0.26 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2bhq h ALA 79 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2bhq h ALA 79 CO -0.03 0.60 0.15 1.25 0.00 0.00 0.00 179.25 181.22 2bhq h LEU 80 N 0.83 1.05 -0.65 0.00 5.85 -0.66 0.79 115.31 122.52 2bhq h LEU 80 Ca 0.13 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2bhq h LEU 80 Cb 0.66 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2bhq h LEU 80 CO 0.05 1.02 0.06 -0.33 -0.34 0.00 0.00 178.44 178.90 2bhq h GLU 81 N 1.05 1.11 -0.60 1.25 5.08 -1.06 -1.27 114.58 120.14 2bhq h GLU 81 Ca 0.21 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2bhq h GLU 81 Cb 0.39 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2bhq h GLU 81 CO 0.01 1.04 -0.01 0.00 -1.00 0.00 0.00 179.01 179.04 2bhq h ALA 82 N 1.03 0.85 -0.62 3.43 0.00 -0.91 -1.67 119.26 121.37 2bhq h ALA 82 Ca 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2bhq h ALA 82 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2bhq h ALA 82 CO 0.02 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.05 2bhq h ALA 83 N 1.01 0.82 -0.25 0.00 0.00 -0.56 -1.05 119.26 119.23 2bhq h ALA 83 Ca 0.17 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 2bhq h ALA 83 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bhq h ALA 83 CO 0.03 0.57 -0.56 -1.49 0.00 0.00 0.00 179.25 177.81 2bhq h TRP 84 N 0.93 0.98 -0.66 0.00 4.06 -1.14 -0.63 115.95 119.50 2bhq h TRP 84 Ca 0.19 -0.35 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 2bhq h TRP 84 Cb 0.42 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 2bhq h TRP 84 CO 0.03 1.16 0.39 -0.22 -3.56 0.00 0.00 178.44 176.24 2bhq h LYS 85 N 0.60 0.90 -0.48 0.49 3.64 -1.16 -2.68 116.57 117.87 2bhq h LYS 85 Ca 0.01 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2bhq h LYS 85 Cb 1.15 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2bhq h LYS 85 CO 0.12 0.65 -0.07 0.00 -2.27 0.00 0.00 179.45 177.88 2bhq h ALA 86 N 1.20 0.66 -0.95 5.00 0.00 -1.10 -3.10 119.26 120.97 2bhq h ALA 86 Ca 0.24 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2bhq h ALA 86 Cb -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.51 2bhq h ALA 86 CO -0.04 0.53 0.56 0.35 0.00 0.00 0.00 179.25 180.64 2bhq h PHE 87 N 0.75 0.99 -0.99 0.00 3.57 -0.78 0.50 116.94 120.98 2bhq h PHE 87 Ca 0.13 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.91 2bhq h PHE 87 Cb 0.61 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 2bhq h PHE 87 CO 0.04 0.28 0.66 -0.22 -2.23 0.00 0.00 178.31 176.85 2bhq h LYS 88 N 0.79 0.33 0.00 1.11 3.64 -1.42 -1.65 116.57 119.36 2bhq h LYS 88 Ca 0.52 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.63 2bhq h LYS 88 Cb 0.69 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 2bhq h LYS 88 CO -0.34 0.22 -1.92 0.25 -2.27 0.00 0.00 179.45 175.39 2bhq n THR 89 N -4.52 0.92 0.00 1.00 -2.24 -0.70 -4.55 114.28 104.19 2bhq n THR 89 Ca 0.23 -0.51 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 2bhq n THR 89 Cb 0.85 -0.76 0.35 0.00 -2.10 0.00 0.00 70.33 68.67 2bhq n THR 89 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2bhq h TRP 90 N 0.00 0.52 0.00 4.78 2.91 -0.75 -1.64 115.95 121.77 2bhq h TRP 90 Ca -0.36 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.61 2bhq h TRP 90 Cb 1.75 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 30.24 2bhq h TRP 90 CO 0.00 0.44 -0.10 1.57 -1.03 0.00 0.00 178.44 179.33 2bhq h LYS 91 N 0.52 0.00 -0.01 2.65 2.10 -1.43 -2.54 116.57 117.85 2bhq h LYS 91 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2bhq h LYS 91 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2bhq h LYS 91 CO -0.01 0.10 -0.14 -0.25 -2.00 0.00 0.00 179.45 177.15 2bhq n ASP 92 N -3.56 1.50 -4.77 7.07 8.00 -0.62 -4.91 116.55 119.25 2bhq n ASP 92 Ca -0.02 -1.31 -0.40 0.00 0.71 0.00 0.00 54.79 53.77 2bhq n ASP 92 Cb 0.23 0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 2bhq n ASP 92 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2bhq s TRP 93 N -2.23 2.84 0.50 1.24 0.52 -0.96 -4.94 118.94 115.91 2bhq s TRP 93 Ca 0.30 1.34 -0.23 0.00 0.02 0.00 0.00 56.10 57.53 2bhq s TRP 93 Cb 0.20 -3.78 -0.06 0.00 -1.15 0.00 0.00 33.47 28.67 2bhq s TRP 93 CO 0.42 -2.27 1.36 -2.14 0.02 0.00 0.00 176.95 174.33 2bhq s PRO 94 N -2.01 3.40 0.36 4.98 0.02 -1.26 -4.84 135.00 135.66 2bhq s PRO 94 Ca 0.52 2.24 0.05 0.00 0.02 0.00 0.00 61.00 63.83 2bhq s PRO 94 Cb -0.41 -2.41 0.72 0.00 0.02 0.00 0.00 34.50 32.42 2bhq s PRO 94 CO 0.55 -0.98 1.98 0.37 -0.33 0.00 0.00 177.00 178.58 2bhq h GLN 95 N 1.83 0.75 -0.75 5.54 5.75 -1.94 -1.03 115.11 125.25 2bhq h GLN 95 Ca -0.51 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.01 2bhq h GLN 95 Cb 1.28 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 2bhq h GLN 95 CO 0.59 0.49 0.49 0.93 -2.65 0.00 0.00 178.83 178.69 2bhq h GLU 96 N 0.77 0.79 -0.26 1.69 3.07 -1.98 0.80 114.58 119.47 2bhq h GLU 96 Ca 0.29 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.97 2bhq h GLU 96 Cb 0.16 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2bhq h GLU 96 CO -0.09 0.52 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.25 2bhq h ASP 97 N 0.82 0.75 -0.54 1.42 5.19 -1.55 -1.82 116.42 120.69 2bhq h ASP 97 Ca 0.32 -0.51 -0.09 0.00 -0.62 0.00 0.00 57.03 56.14 2bhq h ASP 97 Cb 0.22 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2bhq h ASP 97 CO -0.11 1.11 -0.01 0.03 -3.12 0.00 0.00 179.24 177.14 2bhq h ARG 98 N 0.42 0.97 -0.55 3.56 3.08 -0.98 -2.23 114.38 118.64 2bhq h ARG 98 Ca 0.03 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 2bhq h ARG 98 Cb 0.94 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2bhq h ARG 98 CO 0.08 0.98 0.06 0.77 -1.07 0.00 0.00 179.97 180.79 2bhq h SER 99 N 0.84 0.85 -0.30 7.04 0.02 -0.84 -2.11 113.55 119.04 2bhq h SER 99 Ca 0.15 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 2bhq h SER 99 Cb 0.55 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2bhq h SER 99 CO 0.03 0.88 -0.00 0.03 -1.14 0.00 0.00 176.83 176.62 2bhq h ARG 100 N 0.84 0.64 -0.57 3.45 3.08 -1.12 -1.04 114.38 119.67 2bhq h ARG 100 Ca 0.17 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2bhq h ARG 100 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2bhq h ARG 100 CO 0.01 0.67 0.21 1.25 -1.07 0.00 0.00 179.97 181.04 2bhq h LEU 101 N 0.61 0.79 -0.50 3.04 6.46 -0.83 -1.02 115.31 123.86 2bhq h LEU 101 Ca 0.13 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2bhq h LEU 101 Cb 0.39 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2bhq h LEU 101 CO 0.01 0.76 0.25 -0.07 -0.62 0.00 0.00 178.44 178.77 2bhq h LEU 102 N 0.78 0.65 -1.51 2.25 4.07 -0.89 -1.70 115.31 118.96 2bhq h LEU 102 Ca 0.19 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.03 2bhq h LEU 102 Cb 0.22 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2bhq h LEU 102 CO -0.01 0.59 0.34 -0.07 -1.08 0.00 0.00 178.44 178.20 2bhq h LEU 103 N 0.67 0.58 -0.32 1.67 3.38 -0.77 -0.13 115.31 120.39 2bhq h LEU 103 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2bhq h LEU 103 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2bhq h LEU 103 CO -0.02 0.42 0.01 0.50 0.09 0.00 0.00 178.44 179.44 2bhq h LYS 104 N 0.68 0.55 -0.95 1.13 1.63 -0.72 -1.65 116.57 117.24 2bhq h LYS 104 Ca 0.19 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2bhq h LYS 104 Cb -0.07 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.45 2bhq h LYS 104 CO -0.04 0.67 0.62 0.00 -3.45 0.00 0.00 179.45 177.26 2bhq h ALA 105 N 0.86 1.25 -0.72 5.00 0.00 -0.33 -0.58 119.26 124.74 2bhq h ALA 105 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2bhq h ALA 105 Cb 0.42 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2bhq h ALA 105 CO 0.01 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.98 2bhq h ALA 106 N 1.38 0.94 -0.65 0.00 0.00 -0.87 -0.04 119.26 120.02 2bhq h ALA 106 Ca 0.37 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2bhq h ALA 106 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2bhq h ALA 106 CO -0.11 0.64 0.15 0.00 0.00 0.00 0.00 179.25 179.93 2bhq h ALA 107 N 1.10 0.86 -0.56 0.00 0.00 -0.49 -0.20 119.26 119.98 2bhq h ALA 107 Ca 0.23 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2bhq h ALA 107 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2bhq h ALA 107 CO -0.00 0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 179.72 2bhq h LEU 108 N 0.97 1.00 -0.66 0.00 3.38 -0.83 -2.33 115.31 116.85 2bhq h LEU 108 Ca 0.20 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2bhq h LEU 108 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2bhq h LEU 108 CO 0.00 1.08 0.00 -0.03 0.09 0.00 0.00 178.44 179.59 2bhq h MET 109 N 0.89 1.05 -0.65 1.13 4.05 -0.72 -2.72 114.93 117.96 2bhq h MET 109 Ca 0.15 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 2bhq h MET 109 Cb 0.59 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 2bhq h MET 109 CO 0.04 1.02 0.34 -0.09 0.23 0.00 0.00 176.91 178.45 2bhq h ARG 110 N 0.96 0.91 0.00 0.39 2.43 -0.87 -1.13 114.38 117.07 2bhq h ARG 110 Ca 0.17 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2bhq h ARG 110 Cb 0.55 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2bhq h ARG 110 CO 0.03 0.68 0.00 0.00 -1.51 0.00 0.00 179.97 179.17 2bhq h ARG 111 N 0.91 0.00 -0.16 0.20 3.08 -1.12 -2.97 114.38 114.33 2bhq h ARG 111 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 2bhq h ARG 111 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2bhq h ARG 111 CO -0.03 0.00 -0.05 0.54 -1.07 0.00 0.00 179.97 179.36 2bhq n ARG 112 N -2.35 2.08 -0.03 0.04 1.74 -0.49 -4.82 116.66 112.83 2bhq n ARG 112 Ca 0.03 -2.83 -0.09 0.00 -0.77 0.00 0.00 57.85 54.19 2bhq n ARG 112 Cb 0.28 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2bhq n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2bhq h LYS 113 N 0.97 -0.23 -0.92 5.56 1.57 -1.23 -1.81 116.57 120.48 2bhq h LYS 113 Ca 0.03 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2bhq h LYS 113 Cb 1.28 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 2bhq h LYS 113 CO 0.15 -0.15 0.57 0.00 -0.57 0.00 0.00 179.45 179.44 2bhq h ARG 114 N -0.24 1.23 -0.28 3.15 2.47 -1.87 -0.27 114.38 118.57 2bhq h ARG 114 Ca 0.12 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2bhq h ARG 114 Cb 0.43 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2bhq h ARG 114 CO -0.34 0.85 0.16 1.49 0.56 0.00 0.00 179.97 182.69 2bhq h GLU 115 N 1.26 0.39 -0.61 0.04 4.81 -1.81 -0.23 114.58 118.43 2bhq h GLU 115 Ca 0.33 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2bhq h GLU 115 Cb -0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2bhq h GLU 115 CO -0.06 0.33 0.07 -0.07 -0.73 0.00 0.00 179.01 178.55 2bhq h LEU 116 N 0.35 0.99 -0.22 1.64 3.38 -1.02 -1.71 115.31 118.71 2bhq h LEU 116 Ca 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2bhq h LEU 116 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2bhq h LEU 116 CO -0.02 1.01 0.13 -0.33 0.09 0.00 0.00 178.44 179.33 2bhq h GLU 117 N 0.92 0.31 -0.30 1.13 5.08 -0.82 -1.19 114.58 119.71 2bhq h GLU 117 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2bhq h GLU 117 Cb 0.46 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2bhq h GLU 117 CO 0.02 0.26 0.13 0.00 -1.00 0.00 0.00 179.01 178.41 2bhq h ALA 118 N 1.03 1.66 -0.34 3.43 0.00 -0.91 -0.54 119.26 123.60 2bhq h ALA 118 Ca 0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2bhq h ALA 118 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bhq h ALA 118 CO -0.01 0.27 -0.38 1.15 0.00 0.00 0.00 179.25 180.28 2bhq h THR 119 N 0.42 1.28 -0.71 0.00 2.02 -0.79 -2.26 112.91 112.86 2bhq h THR 119 Ca 0.11 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 2bhq h THR 119 Cb 0.08 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2bhq h THR 119 CO -0.01 0.51 0.18 -0.07 0.37 0.00 0.00 175.52 176.49 2bhq h LEU 120 N 0.66 1.08 0.08 2.58 3.38 -0.20 0.18 115.31 123.06 2bhq h LEU 120 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2bhq h LEU 120 Cb 0.94 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2bhq h LEU 120 CO 0.09 1.03 -0.10 0.58 0.09 0.00 0.00 178.44 180.13 2bhq h VAL 121 N 1.08 0.77 0.01 1.22 2.07 -0.90 -1.40 116.25 119.09 2bhq h VAL 121 Ca 0.22 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.51 2bhq h VAL 121 Cb 0.37 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2bhq h VAL 121 CO 0.00 0.00 -0.98 1.88 0.02 0.00 0.00 177.57 178.49 2bhq h TYR 122 N -0.21 0.67 0.18 1.57 0.99 -1.29 -2.49 116.97 116.39 2bhq h TYR 122 Ca 0.01 -0.37 -0.33 0.00 2.00 0.00 0.00 58.73 60.04 2bhq h TYR 122 Cb 0.21 -0.07 0.01 0.00 1.00 0.00 0.00 36.73 37.88 2bhq h TYR 122 CO -0.13 1.20 -1.61 1.49 -0.00 0.00 0.00 178.16 179.11 2bhq h GLU 123 N 0.24 0.38 0.00 4.88 4.81 -0.65 -3.36 114.58 120.87 2bhq h GLU 123 Ca -0.09 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2bhq h GLU 123 Cb 1.63 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.25 2bhq h GLU 123 CO 0.17 1.28 0.00 1.33 -0.73 0.00 0.00 179.01 181.06 2bhq n VAL 124 N -3.57 0.89 -2.29 0.32 0.24 -0.55 -4.42 118.33 108.95 2bhq n VAL 124 Ca -0.20 -0.94 -0.11 0.00 -2.04 0.00 0.00 64.34 61.05 2bhq n VAL 124 Cb 1.07 0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 33.99 2bhq n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bhq n GLY 125 N -0.45 -0.04 3.80 7.63 0.00 -0.94 -4.65 105.19 110.54 2bhq n GLY 125 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2bhq n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bhq s LYS 126 N -4.65 4.38 1.10 1.61 1.02 -1.21 -4.31 119.74 117.69 2bhq s LYS 126 Ca 0.03 0.98 -0.19 0.00 0.02 0.00 0.00 55.97 56.82 2bhq s LYS 126 Cb -0.01 -3.08 0.26 0.00 -0.52 0.00 0.00 37.83 34.48 2bhq s LYS 126 CO 0.04 0.50 1.26 0.54 -0.92 0.00 0.00 175.35 176.77 2bhq s ASN 127 N -1.38 1.85 0.14 2.83 2.20 -1.26 -4.16 114.94 115.16 2bhq s ASN 127 Ca 0.38 0.28 -0.19 0.00 -0.94 0.00 0.00 52.86 52.40 2bhq s ASN 127 Cb -0.20 -0.29 0.00 0.00 -2.00 0.00 0.00 41.25 38.76 2bhq s ASN 127 CO 0.23 -3.52 1.72 -0.50 -2.94 0.00 0.00 177.10 172.09 2bhq h TRP 128 N -2.18 0.02 -0.08 1.54 4.06 -1.89 -1.31 115.95 116.11 2bhq h TRP 128 Ca -0.43 0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.37 2bhq h TRP 128 Cb 1.24 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.42 2bhq h TRP 128 CO -2.03 -0.02 -0.66 0.28 -3.56 0.00 0.00 178.44 172.45 2bhq h VAL 129 N 0.10 1.39 -0.59 1.49 2.07 -1.93 -1.21 116.25 117.57 2bhq h VAL 129 Ca 0.12 -2.07 -0.08 0.00 0.82 0.00 0.00 66.70 65.49 2bhq h VAL 129 Cb 0.14 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2bhq h VAL 129 CO -0.18 0.62 0.03 -0.33 0.02 0.00 0.00 177.57 177.72 2bhq h GLU 130 N 0.22 0.99 -0.35 1.57 4.39 -1.89 -0.46 114.58 119.06 2bhq h GLU 130 Ca -0.02 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 2bhq h GLU 130 Cb 1.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2bhq h GLU 130 CO 0.11 0.96 0.04 0.00 -1.16 0.00 0.00 179.01 178.95 2bhq h ALA 131 N 1.10 0.46 -0.76 3.43 0.00 -1.06 -2.08 119.26 120.36 2bhq h ALA 131 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2bhq h ALA 131 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2bhq h ALA 131 CO 0.02 0.18 0.25 0.66 0.00 0.00 0.00 179.25 180.36 2bhq h SER 132 N 0.41 1.09 -0.64 0.00 4.64 -0.99 -2.18 113.55 115.88 2bhq h SER 132 Ca 0.10 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2bhq h SER 132 Cb 0.39 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2bhq h SER 132 CO 0.01 1.00 0.22 0.00 -0.87 0.00 0.00 176.83 177.19 2bhq h ALA 133 N 1.13 1.14 0.38 5.18 0.00 -0.97 -0.66 119.26 125.46 2bhq h ALA 133 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bhq h ALA 133 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bhq h ALA 133 CO -0.01 0.60 -0.18 0.22 0.00 0.00 0.00 179.25 179.88 2bhq h ASP 134 N 0.98 -0.44 -0.72 0.00 1.82 -0.98 -1.04 116.42 116.03 2bhq h ASP 134 Ca 0.22 -0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.77 2bhq h ASP 134 Cb 0.25 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 2bhq h ASP 134 CO -0.01 -0.24 0.24 0.58 -1.61 0.00 0.00 179.24 178.19 2bhq h VAL 135 N -0.61 1.26 -0.66 2.25 2.07 -1.30 -2.07 116.25 117.19 2bhq h VAL 135 Ca -0.05 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2bhq h VAL 135 Cb 0.45 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2bhq h VAL 135 CO 0.09 0.35 0.35 0.00 0.02 0.00 0.00 177.57 178.37 2bhq h ALA 136 N 1.17 1.37 -0.31 1.67 0.00 -1.01 -1.77 119.26 120.38 2bhq h ALA 136 Ca 0.24 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2bhq h ALA 136 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bhq h ALA 136 CO -0.01 0.51 -0.30 1.49 0.00 0.00 0.00 179.25 180.94 2bhq h GLU 137 N 0.92 0.66 -0.49 0.00 4.81 -0.71 -1.01 114.58 118.76 2bhq h GLU 137 Ca 0.23 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2bhq h GLU 137 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2bhq h GLU 137 CO -0.04 0.88 0.20 0.00 -0.73 0.00 0.00 179.01 179.32 2bhq h ALA 138 N 1.11 0.64 -0.63 2.92 0.00 -0.70 -0.03 119.26 122.55 2bhq h ALA 138 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bhq h ALA 138 Cb 0.80 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2bhq h ALA 138 CO 0.07 0.24 0.36 0.82 0.00 0.00 0.00 179.25 180.74 2bhq h ILE 139 N 0.65 1.20 -0.57 0.00 2.04 -1.16 -2.43 117.51 117.24 2bhq h ILE 139 Ca 0.16 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2bhq h ILE 139 Cb 0.19 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2bhq h ILE 139 CO -0.01 0.21 0.33 0.44 0.00 0.00 0.00 178.15 179.12 2bhq h ASP 140 N 0.86 0.52 -0.67 1.72 3.32 -0.63 -0.76 116.42 120.79 2bhq h ASP 140 Ca 0.22 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 2bhq h ASP 140 Cb 0.02 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2bhq h ASP 140 CO -0.04 0.36 0.41 -0.26 -1.72 0.00 0.00 179.24 178.00 2bhq h PHE 141 N 0.65 0.77 -0.03 4.55 0.05 -0.61 0.21 116.94 122.54 2bhq h PHE 141 Ca 0.24 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.05 2bhq h PHE 141 Cb 0.06 -0.25 -0.00 0.00 2.00 0.00 0.00 35.95 37.76 2bhq h PHE 141 CO -0.07 0.44 0.01 0.82 -0.18 0.00 0.00 178.31 179.33 2bhq h ILE 142 N 0.81 1.17 -0.71 -0.55 2.04 -0.98 -0.16 117.51 119.13 2bhq h ILE 142 Ca 0.27 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2bhq h ILE 142 Cb 0.03 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2bhq h ILE 142 CO -0.11 0.14 0.38 -0.33 0.00 0.00 0.00 178.15 178.23 2bhq h GLU 143 N -0.17 0.99 0.07 2.37 4.39 -0.90 -1.49 114.58 119.84 2bhq h GLU 143 Ca 0.01 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2bhq h GLU 143 Cb 0.22 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2bhq h GLU 143 CO -0.00 0.75 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.64 2bhq h TYR 144 N 0.97 -0.08 -0.08 4.33 3.20 -0.52 -3.07 116.97 121.72 2bhq h TYR 144 Ca 0.25 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 2bhq h TYR 144 Cb 0.05 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2bhq h TYR 144 CO -0.00 0.36 -0.23 1.88 -1.64 0.00 0.00 178.16 178.52 2bhq h TYR 145 N -0.56 0.14 -0.77 -3.82 0.99 -1.02 0.78 116.97 112.71 2bhq h TYR 145 Ca -0.01 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2bhq h TYR 145 Cb 0.48 -0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.13 2bhq h TYR 145 CO 0.08 0.36 0.49 0.00 -0.00 0.00 0.00 178.16 179.09 2bhq h ALA 146 N 1.65 0.98 0.01 3.88 0.00 -1.29 -0.41 119.26 124.07 2bhq h ALA 146 Ca 0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2bhq h ALA 146 Cb 0.49 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bhq h ALA 146 CO 0.03 0.41 -0.56 0.00 0.00 0.00 0.00 179.25 179.13 2bhq h ARG 147 N 1.05 0.37 -0.70 0.00 3.08 -1.34 -3.31 114.38 113.52 2bhq h ARG 147 Ca 0.28 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bhq h ARG 147 Cb -0.09 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2bhq h ARG 147 CO -0.06 1.09 0.46 0.00 -1.07 0.00 0.00 179.97 180.39 2bhq h ALA 148 N 0.29 1.53 -0.25 0.04 0.00 -0.73 -2.20 119.26 117.94 2bhq h ALA 148 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2bhq h ALA 148 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2bhq h ALA 148 CO 0.11 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.96 2bhq h ALA 149 N 1.57 2.00 0.00 0.00 0.00 -1.16 -1.30 119.26 120.37 2bhq h ALA 149 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2bhq h ALA 149 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bhq h ALA 149 CO -0.06 -0.04 -0.04 -0.07 0.00 0.00 0.00 179.25 179.03 2bhq h LEU 150 N 0.19 0.00 -0.64 0.00 3.38 -1.52 -2.23 115.31 114.50 2bhq h LEU 150 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bhq h LEU 150 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2bhq h LEU 150 CO -0.02 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.10 2bhq n ARG 151 N -3.19 0.19 -0.18 1.13 5.12 -0.49 -2.50 116.66 116.74 2bhq n ARG 151 Ca -0.00 0.40 0.08 0.00 -1.93 0.00 0.00 57.85 56.40 2bhq n ARG 151 Cb 0.28 -1.86 0.18 0.00 -1.16 0.00 0.00 32.46 29.90 2bhq n ARG 151 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2bhq n TYR 152 N -2.22 0.47 -1.81 -1.55 4.02 -0.84 -4.92 117.16 110.31 2bhq n TYR 152 Ca 0.02 -0.34 -0.36 0.00 -0.01 0.00 0.00 57.90 57.21 2bhq n TYR 152 Cb 0.24 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.61 2bhq n TYR 152 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2bhq s ARG 153 N -1.12 2.67 0.00 -0.72 1.70 -1.04 -4.44 118.95 116.01 2bhq s ARG 153 Ca 0.29 1.91 -0.34 0.00 -0.47 0.00 0.00 55.73 57.12 2bhq s ARG 153 Cb 0.17 -1.88 -0.12 0.00 -0.57 0.00 0.00 34.95 32.54 2bhq s ARG 153 CO 0.22 -1.46 1.79 0.98 -1.08 0.00 0.00 175.30 175.75 2bhq n TYR 154 N -1.90 2.33 -3.78 5.89 4.19 -1.26 -1.88 117.16 120.75 2bhq n TYR 154 Ca 0.14 0.06 -0.37 0.00 3.31 0.00 0.00 57.90 61.05 2bhq n TYR 154 Cb 0.49 -2.63 -0.13 0.00 0.49 0.00 0.00 39.34 37.56 2bhq n TYR 154 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2bhq s PRO 155 N 3.03 3.03 0.03 2.98 0.04 -1.26 -5.13 135.00 137.71 2bhq s PRO 155 Ca 0.88 -0.90 0.25 0.00 0.04 0.00 0.00 61.00 61.27 2bhq s PRO 155 Cb -0.67 -3.35 0.57 0.00 0.04 0.00 0.00 34.50 31.09 2bhq s PRO 155 CO 0.46 -0.46 1.46 0.00 0.04 0.00 0.00 177.00 178.51 2bhq n ALA 156 N 4.84 3.25 -2.58 8.56 0.00 -0.79 -4.94 120.51 128.85 2bhq n ALA 156 Ca -0.14 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 2bhq n ALA 156 Cb 0.48 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2bhq n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bhq s VAL 157 N -3.04 4.86 -0.39 0.00 1.01 -1.15 -5.02 120.40 116.68 2bhq s VAL 157 Ca 0.10 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 2bhq s VAL 157 Cb 0.17 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2bhq s VAL 157 CO 0.68 0.26 1.05 -0.70 0.00 0.00 0.00 175.10 176.40 2bhq s GLU 158 N 0.54 3.87 0.29 2.72 2.12 -1.26 -4.62 118.70 122.36 2bhq s GLU 158 Ca 0.43 0.74 0.07 0.00 0.36 0.00 0.00 54.97 56.56 2bhq s GLU 158 Cb -0.20 -3.82 -0.06 0.00 0.26 0.00 0.00 34.13 30.31 2bhq s GLU 158 CO 0.23 -1.09 -0.05 0.14 -0.54 0.00 0.00 175.26 173.95 2bhq s VAL 159 N 3.88 1.66 -0.09 3.70 -7.23 -1.26 -5.11 120.40 115.95 2bhq s VAL 159 Ca 0.44 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 2bhq s VAL 159 Cb -0.10 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2bhq s VAL 159 CO 0.22 -0.28 0.64 -0.69 -0.31 0.00 0.00 175.10 174.68 2bhq s VAL 160 N -3.00 5.08 0.76 1.32 1.01 -1.26 -5.06 120.40 119.25 2bhq s VAL 160 Ca 0.30 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 2bhq s VAL 160 Cb 0.04 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2bhq s VAL 160 CO 0.12 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.41 2bhq s PRO 161 N 0.82 2.42 0.00 2.72 0.04 -1.26 -4.98 135.00 134.77 2bhq s PRO 161 Ca 0.34 0.78 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2bhq s PRO 161 Cb -0.17 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2bhq s PRO 161 CO 0.16 -1.42 -0.03 -0.47 0.04 0.00 0.00 177.00 175.28 2bhq s TYR 162 N -3.11 0.24 0.28 0.56 5.04 -1.26 -5.13 117.35 113.97 2bhq s TYR 162 Ca 0.60 -0.07 -0.30 0.00 -2.44 0.00 0.00 57.07 54.85 2bhq s TYR 162 Cb -0.14 -0.15 -0.13 0.00 0.35 0.00 0.00 41.96 41.89 2bhq s TYR 162 CO 0.55 -0.01 1.43 -2.30 -1.34 0.00 0.00 175.55 173.88 2bhq n PRO 163 N 2.93 2.26 -1.35 4.97 -0.02 -1.26 -2.80 135.00 139.73 2bhq n PRO 163 Ca -0.13 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2bhq n PRO 163 Cb 0.59 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2bhq n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhq n GLY 164 N 1.76 1.24 3.02 -1.23 0.00 -1.26 -4.99 105.19 103.73 2bhq n GLY 164 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 2bhq n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bhq s GLU 165 N -2.89 0.42 -0.18 1.61 2.02 -1.12 -2.06 118.70 116.50 2bhq s GLU 165 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 2bhq s GLU 165 Cb 0.00 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 2bhq s GLU 165 CO 0.00 -0.07 -0.00 0.34 0.02 0.00 0.00 175.26 175.55 2bhq s ASP 166 N -1.96 4.98 -0.21 -0.19 -1.08 -0.42 -4.60 116.67 113.19 2bhq s ASP 166 Ca -0.08 -0.12 0.01 0.00 -0.52 0.00 0.00 52.55 51.84 2bhq s ASP 166 Cb -0.04 -1.84 0.05 0.00 -1.46 0.00 0.00 42.92 39.63 2bhq s ASP 166 CO -0.04 0.12 -0.10 0.20 0.52 0.00 0.00 175.17 175.88 2bhq s ASN 167 N 0.66 3.62 -0.13 -0.34 0.01 -1.26 -0.96 114.94 116.54 2bhq s ASN 167 Ca -0.00 -1.01 0.01 0.00 -0.71 0.00 0.00 52.86 51.15 2bhq s ASN 167 Cb -0.14 -1.27 0.02 0.00 0.41 0.00 0.00 41.25 40.27 2bhq s ASN 167 CO 0.02 -0.17 -0.13 -0.70 -1.51 0.00 0.00 177.10 174.61 2bhq s GLU 168 N 1.35 2.12 -0.05 -0.60 2.12 -0.20 -4.95 118.70 118.50 2bhq s GLU 168 Ca -0.03 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.84 2bhq s GLU 168 Cb -0.17 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2bhq s GLU 168 CO -0.07 -0.17 -0.16 -1.12 -0.54 0.00 0.00 175.26 173.19 2bhq s SER 169 N 1.32 3.87 0.15 -1.70 0.01 -1.26 -0.34 113.70 115.75 2bhq s SER 169 Ca 0.00 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 56.89 2bhq s SER 169 Cb -0.14 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.31 2bhq s SER 169 CO -0.07 0.34 0.37 0.72 0.41 0.00 0.00 173.24 175.01 2bhq s PHE 170 N -0.68 0.07 0.11 2.43 -0.71 -0.17 -2.91 117.98 116.12 2bhq s PHE 170 Ca 0.10 -0.43 -0.02 0.00 -1.04 0.00 0.00 56.93 55.54 2bhq s PHE 170 Cb -0.11 0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2bhq s PHE 170 CO 0.00 -0.75 0.30 0.71 -1.34 0.00 0.00 175.22 174.15 2bhq s TYR 171 N -3.89 3.49 0.02 3.49 1.51 -1.26 -1.07 117.35 119.65 2bhq s TYR 171 Ca 0.10 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 2bhq s TYR 171 Cb 0.02 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2bhq s TYR 171 CO -0.05 0.51 -0.03 0.14 -1.11 0.00 0.00 175.55 175.00 2bhq s VAL 172 N -1.59 0.13 0.83 0.71 -7.23 -0.28 -4.88 120.40 108.09 2bhq s VAL 172 Ca 0.38 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2bhq s VAL 172 Cb -0.12 -0.25 0.09 0.00 0.56 0.00 0.00 36.38 36.66 2bhq s VAL 172 CO 0.26 -0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 173.59 2bhq s PRO 173 N -1.20 1.78 -0.08 4.82 0.04 -1.26 -1.00 135.00 138.10 2bhq s PRO 173 Ca -0.12 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 2bhq s PRO 173 Cb -0.08 -1.85 -0.29 0.00 0.04 0.00 0.00 34.50 32.32 2bhq s PRO 173 CO -0.01 -1.94 0.87 -0.07 0.04 0.00 0.00 177.00 175.89 2bhq h LEU 174 N -1.34 0.30 0.00 -3.56 3.38 -1.89 -3.44 115.31 108.76 2bhq h LEU 174 Ca -0.46 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 56.56 2bhq h LEU 174 Cb 1.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2bhq h LEU 174 CO 0.52 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.89 2bhq n GLY 175 N 1.59 0.03 3.76 0.83 0.00 -1.26 -5.02 105.19 105.12 2bhq n GLY 175 Ca -0.12 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 2bhq n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq s ALA 176 N -1.00 3.64 0.32 4.61 0.00 -1.26 -1.94 121.76 126.13 2bhq s ALA 176 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2bhq s ALA 176 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2bhq s ALA 176 CO 0.00 0.21 0.18 0.20 0.00 0.00 0.00 175.76 176.34 2bhq s GLY 177 N 0.09 2.19 -0.04 0.00 0.00 -0.54 -1.24 107.32 107.78 2bhq s GLY 177 Ca 0.17 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.21 2bhq s GLY 177 CO 0.05 -1.60 -0.18 0.54 0.00 0.00 0.00 173.10 171.90 2bhq s VAL 178 N -3.52 2.73 -0.15 1.40 0.11 -0.62 -1.22 120.40 119.12 2bhq s VAL 178 Ca 0.35 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2bhq s VAL 178 Cb 0.04 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 2bhq s VAL 178 CO 0.19 0.59 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.73 2bhq s VAL 179 N -0.69 3.02 -0.32 2.04 1.01 0.11 -0.95 120.40 124.62 2bhq s VAL 179 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2bhq s VAL 179 Cb -0.10 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.07 2bhq s VAL 179 CO -0.00 0.51 0.02 -0.63 0.00 0.00 0.00 175.10 175.00 2bhq s ILE 180 N 0.65 2.54 0.30 2.22 1.01 -0.15 -0.45 121.20 127.32 2bhq s ILE 180 Ca -0.06 -1.94 -0.01 0.00 0.00 0.00 0.00 60.65 58.63 2bhq s ILE 180 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2bhq s ILE 180 CO 0.02 -0.37 0.52 0.00 0.00 0.00 0.00 174.94 175.11 2bhq s ALA 181 N 1.05 3.71 0.51 9.38 0.00 -0.96 -2.44 121.76 133.01 2bhq s ALA 181 Ca 0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2bhq s ALA 181 Cb -0.20 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2bhq s ALA 181 CO -0.05 0.14 0.77 -1.25 0.00 0.00 0.00 175.76 175.37 2bhq s PRO 182 N -3.92 3.01 0.11 0.00 0.04 -1.24 -3.36 135.00 129.64 2bhq s PRO 182 Ca 0.41 -0.27 0.23 0.00 0.04 0.00 0.00 61.00 61.41 2bhq s PRO 182 Cb -0.10 -2.43 0.18 0.00 0.04 0.00 0.00 34.50 32.19 2bhq s PRO 182 CO 0.33 -0.45 1.17 -2.67 0.04 0.00 0.00 177.00 175.41 2bhq n TRP 183 N -2.30 0.52 0.17 0.56 4.27 -1.26 -3.88 117.44 115.52 2bhq n TRP 183 Ca 0.03 0.15 0.05 0.00 -3.89 0.00 0.00 57.50 53.84 2bhq n TRP 183 Cb 0.58 -0.64 0.12 0.00 -1.36 0.00 0.00 31.31 30.01 2bhq n TRP 183 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 2bhq h ASN 184 N 0.00 0.00 -2.02 -0.67 -1.07 -1.96 -3.33 115.58 106.54 2bhq h ASN 184 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 2bhq h ASN 184 Cb 0.79 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.64 2bhq h ASN 184 CO 0.00 0.38 -1.10 0.49 0.07 0.00 0.00 177.43 177.27 2bhq n PHE 185 N -3.24 0.27 0.88 4.14 3.01 -1.26 -4.98 117.46 116.28 2bhq n PHE 185 Ca 0.02 -3.72 0.08 0.00 1.01 0.00 0.00 57.45 54.84 2bhq n PHE 185 Cb 0.65 -0.40 0.44 0.00 -0.01 0.00 0.00 39.48 40.16 2bhq n PHE 185 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2bhq n PRO 186 N 0.83 0.38 -0.01 -1.08 -0.04 -1.25 -1.60 135.00 132.22 2bhq n PRO 186 Ca 0.24 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.71 2bhq n PRO 186 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2bhq n PRO 186 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bhq n VAL 187 N -1.13 1.01 0.26 0.52 0.31 -1.26 -4.50 118.33 113.54 2bhq n VAL 187 Ca 0.10 0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 2bhq n VAL 187 Cb 0.09 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 2bhq n VAL 187 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bhq h ALA 188 N -0.32 -1.11 -0.18 3.52 0.00 -1.64 -0.05 119.26 119.48 2bhq h ALA 188 Ca -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2bhq h ALA 188 Cb 0.65 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2bhq h ALA 188 CO -0.05 -1.10 -0.55 0.82 0.00 0.00 0.00 179.25 178.37 2bhq h ILE 189 N -0.80 1.32 -0.28 0.00 2.04 -1.63 -0.36 117.51 117.80 2bhq h ILE 189 Ca -0.06 -1.80 0.03 0.00 1.00 0.00 0.00 64.86 64.03 2bhq h ILE 189 Cb 0.67 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2bhq h ILE 189 CO 0.02 0.56 0.07 0.15 0.00 0.00 0.00 178.15 178.95 2bhq h PHE 190 N 0.41 0.13 0.02 1.37 3.57 -1.56 -0.94 116.94 119.93 2bhq h PHE 190 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2bhq h PHE 190 Cb 1.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2bhq h PHE 190 CO 0.04 0.05 -0.01 1.15 -2.23 0.00 0.00 178.31 177.31 2bhq h THR 191 N 0.19 1.21 -0.49 4.41 2.02 -0.82 -3.08 112.91 116.34 2bhq h THR 191 Ca 0.13 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.61 2bhq h THR 191 Cb 0.12 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 2bhq h THR 191 CO -0.15 0.19 0.26 1.23 0.37 0.00 0.00 175.52 177.41 2bhq h GLY 192 N -0.35 0.69 2.00 2.16 0.00 -0.90 -0.07 103.07 106.59 2bhq h GLY 192 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2bhq h GLY 192 CO 0.01 0.12 -0.12 -0.33 0.00 0.00 0.00 176.54 176.22 2bhq h MET 193 N 0.51 0.00 0.00 4.80 2.07 -1.24 -2.23 114.93 118.84 2bhq h MET 193 Ca 0.21 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.75 2bhq h MET 193 Cb 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2bhq h MET 193 CO -0.14 0.12 -0.66 0.82 1.07 0.00 0.00 176.91 178.11 2bhq h ILE 194 N 0.00 0.66 0.00 -1.22 2.04 -1.33 -3.40 117.51 114.27 2bhq h ILE 194 Ca -0.00 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 2bhq h ILE 194 Cb 0.30 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2bhq h ILE 194 CO 0.02 0.22 -0.16 -0.37 0.00 0.00 0.00 178.15 177.86 2bhq h VAL 195 N -1.00 0.45 0.70 1.67 -1.51 -1.03 -2.57 116.25 112.96 2bhq h VAL 195 Ca -0.14 -0.87 -0.03 0.00 -1.23 0.00 0.00 66.70 64.42 2bhq h VAL 195 Cb 0.84 1.62 0.01 0.00 -2.13 0.00 0.00 31.29 31.63 2bhq h VAL 195 CO -0.09 0.16 -0.34 1.23 -1.23 0.00 0.00 177.57 177.30 2bhq h GLY 196 N 1.77 -0.99 1.01 5.19 0.00 -1.62 0.54 103.07 108.98 2bhq h GLY 196 Ca -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2bhq h GLY 196 CO 0.02 -0.36 0.47 -2.55 0.00 0.00 0.00 176.54 174.12 2bhq h PRO 197 N -1.09 1.11 -0.63 4.80 0.11 -1.75 -2.93 132.00 131.61 2bhq h PRO 197 Ca -0.10 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 2bhq h PRO 197 Cb 0.75 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 2bhq h PRO 197 CO 0.16 0.80 0.19 0.28 -0.21 0.00 0.00 178.00 179.21 2bhq h VAL 198 N 1.11 1.24 -0.96 3.15 2.07 -1.42 -2.24 116.25 119.21 2bhq h VAL 198 Ca 0.29 -0.84 0.14 0.00 0.82 0.00 0.00 66.70 67.11 2bhq h VAL 198 Cb -0.01 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2bhq h VAL 198 CO -0.05 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.44 2bhq h ALA 199 N 1.27 1.47 -0.47 1.67 0.00 -0.69 -1.83 119.26 120.68 2bhq h ALA 199 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bhq h ALA 199 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bhq h ALA 199 CO -0.01 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.68 2bhq n VAL 200 N -4.71 0.77 0.00 0.00 0.24 -1.16 -4.67 118.33 108.81 2bhq n VAL 200 Ca 0.19 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2bhq n VAL 200 Cb 0.40 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2bhq n VAL 200 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bhq n GLY 201 N 1.16 0.84 3.93 7.63 0.00 -0.69 -4.18 105.19 113.88 2bhq n GLY 201 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2bhq n GLY 201 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bhq s ASN 202 N -1.22 5.22 0.17 1.61 0.01 -0.85 -3.99 114.94 115.88 2bhq s ASN 202 Ca 0.00 0.54 0.11 0.00 -0.71 0.00 0.00 52.86 52.80 2bhq s ASN 202 Cb 0.00 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 2bhq s ASN 202 CO 0.00 -1.31 -0.24 0.42 -1.51 0.00 0.00 177.10 174.46 2bhq s THR 203 N -3.09 2.23 0.03 1.60 -4.23 -0.82 -4.12 115.64 107.24 2bhq s THR 203 Ca 0.57 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2bhq s THR 203 Cb -0.11 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2bhq s THR 203 CO 0.44 -0.10 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.67 2bhq s VAL 204 N -1.57 0.47 -0.23 2.29 1.01 0.18 -1.46 120.40 121.09 2bhq s VAL 204 Ca 0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2bhq s VAL 204 Cb -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2bhq s VAL 204 CO 0.08 -0.22 -0.08 -0.63 0.00 0.00 0.00 175.10 174.25 2bhq s ILE 205 N -0.96 2.84 -0.16 2.22 1.01 -0.36 -1.09 121.20 124.70 2bhq s ILE 205 Ca -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2bhq s ILE 205 Cb -0.07 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2bhq s ILE 205 CO 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 174.94 175.21 2bhq s ALA 206 N 1.35 3.01 -0.35 9.38 0.00 0.93 -0.71 121.76 135.37 2bhq s ALA 206 Ca 0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2bhq s ALA 206 Cb -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2bhq s ALA 206 CO -0.06 0.19 0.13 0.21 0.00 0.00 0.00 175.76 176.23 2bhq s LYS 207 N 0.40 2.59 0.77 0.00 2.20 0.41 -0.82 119.74 125.29 2bhq s LYS 207 Ca -0.04 -1.24 -0.11 0.00 -0.36 0.00 0.00 55.97 54.22 2bhq s LYS 207 Cb -0.14 -3.50 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 2bhq s LYS 207 CO 0.03 -0.72 1.08 -1.25 -0.36 0.00 0.00 175.35 174.13 2bhq s PRO 208 N 1.39 2.28 0.32 4.03 0.04 -1.26 -2.28 135.00 139.53 2bhq s PRO 208 Ca -0.01 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 2bhq s PRO 208 Cb -0.20 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2bhq s PRO 208 CO 0.02 -1.55 1.12 0.00 0.04 0.00 0.00 177.00 176.63 2bhq s ALA 209 N -3.02 3.32 0.30 8.56 0.00 -1.21 -4.66 121.76 125.05 2bhq s ALA 209 Ca 0.60 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.52 2bhq s ALA 209 Cb -0.15 -3.34 0.77 0.00 0.00 0.00 0.00 23.12 20.40 2bhq s ALA 209 CO 0.55 -0.26 1.73 0.93 0.00 0.00 0.00 175.76 178.72 2bhq h GLU 210 N 3.39 0.56 0.00 0.00 5.08 -1.91 -0.25 114.58 121.44 2bhq h GLU 210 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2bhq h GLU 210 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2bhq h GLU 210 CO 0.65 0.37 0.00 -0.25 -1.00 0.00 0.00 179.01 178.79 2bhq n ASP 211 N -4.90 0.00 -1.94 1.42 8.00 -1.26 -3.56 116.55 114.31 2bhq n ASP 211 Ca 0.24 0.47 -0.04 0.00 0.71 0.00 0.00 54.79 56.17 2bhq n ASP 211 Cb 0.65 -0.49 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2bhq n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bhq n ALA 212 N -1.49 3.29 0.14 2.24 0.00 -0.12 -4.68 120.51 119.90 2bhq n ALA 212 Ca 0.04 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.49 2bhq n ALA 212 Cb 0.19 -0.62 0.27 0.00 0.00 0.00 0.00 19.45 19.29 2bhq n ALA 212 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2bhq h VAL 213 N 4.35 1.33 -0.06 0.00 -1.51 -1.58 -2.80 116.25 115.97 2bhq h VAL 213 Ca -0.02 -1.57 -0.02 0.00 -1.23 0.00 0.00 66.70 63.87 2bhq h VAL 213 Cb 1.44 1.81 -0.00 0.00 -2.13 0.00 0.00 31.29 32.41 2bhq h VAL 213 CO 0.27 0.45 -0.03 0.58 -1.23 0.00 0.00 177.57 177.61 2bhq h VAL 214 N 0.06 1.33 0.00 7.19 2.07 -1.90 -1.82 116.25 123.19 2bhq h VAL 214 Ca 0.00 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 2bhq h VAL 214 Cb 0.82 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2bhq h VAL 214 CO 0.06 0.29 -0.34 1.62 0.02 0.00 0.00 177.57 179.22 2bhq h VAL 215 N -0.26 1.22 -0.48 2.57 3.04 -1.92 -1.66 116.25 118.77 2bhq h VAL 215 Ca 0.01 -1.17 -0.08 0.00 -1.01 0.00 0.00 66.70 64.44 2bhq h VAL 215 Cb 0.48 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.38 2bhq h VAL 215 CO 0.01 0.33 -0.05 1.23 -1.01 0.00 0.00 177.57 178.08 2bhq h GLY 216 N 1.06 0.89 1.24 3.17 0.00 -1.39 -1.68 103.07 106.36 2bhq h GLY 216 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 2bhq h GLY 216 CO 0.04 0.58 -0.06 0.00 0.00 0.00 0.00 176.54 177.11 2bhq h ALA 217 N 1.19 0.94 -0.21 3.60 0.00 -0.45 -2.02 119.26 122.31 2bhq h ALA 217 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2bhq h ALA 217 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bhq h ALA 217 CO 0.03 0.63 -0.18 0.87 0.00 0.00 0.00 179.25 180.60 2bhq h LYS 218 N 0.82 0.36 -0.51 0.00 1.57 -0.89 -0.96 116.57 116.96 2bhq h LYS 218 Ca 0.14 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2bhq h LYS 218 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2bhq h LYS 218 CO 0.03 0.54 -0.05 0.28 -0.57 0.00 0.00 179.45 179.68 2bhq h VAL 219 N 0.33 1.26 0.00 0.50 2.07 -0.89 -2.30 116.25 117.22 2bhq h VAL 219 Ca 0.06 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 2bhq h VAL 219 Cb 0.51 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2bhq h VAL 219 CO 0.03 0.40 -0.21 -0.26 0.02 0.00 0.00 177.57 177.56 2bhq h PHE 220 N 0.82 0.00 -0.45 1.57 -1.00 -0.57 -1.53 116.94 115.78 2bhq h PHE 220 Ca 0.14 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 2bhq h PHE 220 Cb 0.56 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 2bhq h PHE 220 CO 0.03 0.21 -0.02 0.93 -1.61 0.00 0.00 178.31 177.85 2bhq h GLU 221 N 0.00 0.74 -0.32 1.51 5.08 -0.64 0.36 114.58 121.30 2bhq h GLU 221 Ca -0.00 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2bhq h GLU 221 Cb 0.61 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2bhq h GLU 221 CO 0.03 0.77 -0.10 0.82 -1.00 0.00 0.00 179.01 179.52 2bhq h ILE 222 N 0.69 1.28 -0.80 3.13 2.04 -1.08 -1.01 117.51 121.76 2bhq h ILE 222 Ca 0.13 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2bhq h ILE 222 Cb 0.46 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2bhq h ILE 222 CO 0.02 0.38 0.49 -0.26 0.00 0.00 0.00 178.15 178.77 2bhq h PHE 223 N 0.40 1.05 -0.27 1.37 0.04 -0.95 -0.35 116.94 118.23 2bhq h PHE 223 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2bhq h PHE 223 Cb 0.60 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2bhq h PHE 223 CO 0.05 0.70 0.11 1.25 -0.60 0.00 0.00 178.31 179.82 2bhq h HIS 224 N 1.09 0.40 -0.11 -0.55 2.76 -0.76 -2.54 115.15 115.44 2bhq h HIS 224 Ca 0.29 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 2bhq h HIS 224 Cb -0.05 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 2bhq h HIS 224 CO -0.01 0.40 -0.27 1.49 -1.30 0.00 0.00 177.93 178.24 2bhq h GLU 225 N 0.28 0.20 -0.19 5.26 4.81 -0.91 -2.41 114.58 121.63 2bhq h GLU 225 Ca 0.09 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2bhq h GLU 225 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2bhq h GLU 225 CO -0.01 0.46 -0.06 0.00 -0.73 0.00 0.00 179.01 178.67 2bhq h ALA 226 N 1.55 1.55 0.00 2.92 0.00 -0.79 -3.47 119.26 121.02 2bhq h ALA 226 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bhq h ALA 226 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bhq h ALA 226 CO 0.04 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2bhq n GLY 227 N -0.99 1.66 3.75 0.00 0.00 -0.91 -4.92 105.19 103.78 2bhq n GLY 227 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2bhq n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bhq s PHE 228 N -2.00 2.72 0.67 1.61 0.08 -1.21 -4.91 117.98 114.94 2bhq s PHE 228 Ca 0.00 0.78 -0.17 0.00 0.12 0.00 0.00 56.93 57.66 2bhq s PHE 228 Cb 0.00 -4.09 -0.02 0.00 -0.57 0.00 0.00 43.02 38.35 2bhq s PHE 228 CO 0.00 -3.64 1.02 -2.30 -0.10 0.00 0.00 175.22 170.20 2bhq n PRO 229 N 2.06 0.74 -1.64 0.24 -0.02 -1.26 -4.85 135.00 130.26 2bhq n PRO 229 Ca 0.08 0.31 -0.47 0.00 -2.02 0.00 0.00 63.50 61.39 2bhq n PRO 229 Cb 0.37 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2bhq n PRO 229 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bhq n PRO 230 N -1.58 1.77 0.00 0.52 -0.04 -1.26 -1.94 135.00 132.46 2bhq n PRO 230 Ca 0.14 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2bhq n PRO 230 Cb 0.49 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2bhq n PRO 230 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bhq n GLY 231 N 2.55 2.93 0.25 0.55 0.00 -1.26 -4.55 105.19 105.66 2bhq n GLY 231 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2bhq n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bhq h VAL 232 N 0.00 1.23 -3.83 1.61 2.07 -1.67 -3.31 116.25 112.35 2bhq h VAL 232 Ca 0.00 -0.77 -0.47 0.00 0.82 0.00 0.00 66.70 66.28 2bhq h VAL 232 Cb 0.00 0.70 -0.31 0.00 -1.52 0.00 0.00 31.29 30.16 2bhq h VAL 232 CO 0.00 0.29 -0.80 0.68 0.02 0.00 0.00 177.57 177.75 2bhq s VAL 233 N -5.44 1.00 0.02 2.57 -7.23 -1.26 -0.64 120.40 109.41 2bhq s VAL 233 Ca -0.13 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2bhq s VAL 233 Cb 0.12 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 2bhq s VAL 233 CO 0.79 0.30 -0.10 0.20 -0.31 0.00 0.00 175.10 175.99 2bhq s ASN 234 N 0.17 1.15 -0.24 4.85 0.01 -0.25 -4.70 114.94 115.93 2bhq s ASN 234 Ca -0.04 -0.37 -0.01 0.00 -0.71 0.00 0.00 52.86 51.73 2bhq s ASN 234 Cb -0.10 -0.06 0.03 0.00 0.41 0.00 0.00 41.25 41.53 2bhq s ASN 234 CO 0.01 -0.02 -0.08 0.12 -1.51 0.00 0.00 177.10 175.62 2bhq s PHE 235 N -0.76 3.05 -0.59 2.20 5.99 0.58 -0.05 117.98 128.40 2bhq s PHE 235 Ca -0.01 -1.64 0.06 0.00 0.00 0.00 0.00 56.93 55.34 2bhq s PHE 235 Cb -0.07 -2.03 0.21 0.00 0.00 0.00 0.00 43.02 41.13 2bhq s PHE 235 CO 0.00 -0.75 0.57 1.28 -0.00 0.00 0.00 175.22 176.32 2bhq n LEU 236 N 4.64 2.28 -4.76 6.12 4.77 -0.00 -2.06 117.00 128.00 2bhq n LEU 236 Ca -0.17 -5.08 -0.38 0.00 -0.03 0.00 0.00 56.01 50.35 2bhq n LEU 236 Cb 0.47 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2bhq n LEU 236 CO 0.26 1.93 0.94 -2.16 -1.33 0.00 0.00 177.39 177.03 2bhq s PRO 237 N -1.55 3.54 0.26 3.23 0.04 -1.26 -4.43 135.00 134.83 2bhq s PRO 237 Ca 0.33 2.08 -0.20 0.00 0.04 0.00 0.00 61.00 63.25 2bhq s PRO 237 Cb 0.07 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2bhq s PRO 237 CO -0.11 -0.82 0.68 0.20 0.04 0.00 0.00 177.00 176.99 2bhq s GLY 238 N -1.01 -0.11 -0.12 0.56 0.00 -1.26 -0.82 107.32 104.56 2bhq s GLY 238 Ca 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 2bhq s GLY 238 CO 0.44 -0.11 -0.06 0.14 0.00 0.00 0.00 173.10 173.51 2bhq s VAL 239 N -3.90 3.68 0.00 1.40 1.01 -1.26 -4.63 120.40 116.70 2bhq s VAL 239 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2bhq s VAL 239 Cb -0.05 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2bhq s VAL 239 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2bhq n GLY 240 N 3.06 -1.83 0.17 4.51 0.00 -1.26 -4.28 105.19 105.55 2bhq n GLY 240 Ca -0.18 -1.35 0.14 0.00 0.00 0.00 0.00 46.02 44.63 2bhq n GLY 240 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bhq n GLU 241 N -0.26 0.83 -0.09 1.61 1.02 -1.26 -4.57 120.64 117.91 2bhq n GLU 241 Ca 0.00 -0.35 -0.06 0.00 -0.02 0.00 0.00 57.16 56.73 2bhq n GLU 241 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 2bhq n GLU 241 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2bhq h GLU 242 N 0.84 -0.14 -0.14 3.49 4.81 -1.98 0.22 114.58 121.67 2bhq h GLU 242 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bhq h GLU 242 Cb 0.38 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2bhq h GLU 242 CO 0.00 -0.10 0.09 0.28 -0.73 0.00 0.00 179.01 178.55 2bhq h VAL 243 N -0.15 1.06 -0.28 0.32 2.07 -1.86 -1.71 116.25 115.70 2bhq h VAL 243 Ca 0.04 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2bhq h VAL 243 Cb 0.26 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2bhq h VAL 243 CO -0.32 0.06 0.17 1.23 0.02 0.00 0.00 177.57 178.73 2bhq h GLY 244 N 0.17 0.39 0.98 2.17 0.00 -1.80 -1.92 103.07 103.06 2bhq h GLY 244 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2bhq h GLY 244 CO -0.01 0.13 0.26 0.00 0.00 0.00 0.00 176.54 176.92 2bhq h ALA 245 N 1.11 0.71 -0.52 3.60 0.00 -0.52 -0.12 119.26 123.52 2bhq h ALA 245 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bhq h ALA 245 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2bhq h ALA 245 CO -0.04 0.27 0.29 -0.92 0.00 0.00 0.00 179.25 178.86 2bhq h TYR 246 N 0.74 0.55 -0.03 0.00 3.20 -1.09 -1.87 116.97 118.48 2bhq h TYR 246 Ca 0.19 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 2bhq h TYR 246 Cb 0.12 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.24 2bhq h TYR 246 CO -0.00 0.29 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.16 2bhq h LEU 247 N 0.58 0.55 -1.27 2.82 3.38 -1.18 -2.57 115.31 117.62 2bhq h LEU 247 Ca 0.22 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.49 2bhq h LEU 247 Cb 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2bhq h LEU 247 CO -0.12 1.21 0.51 0.58 0.09 0.00 0.00 178.44 180.71 2bhq h VAL 248 N -0.05 1.12 -0.02 1.22 2.07 -0.94 -2.39 116.25 117.27 2bhq h VAL 248 Ca -0.07 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2bhq h VAL 248 Cb 1.27 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2bhq h VAL 248 CO 0.12 0.17 -0.08 -0.62 0.02 0.00 0.00 177.57 177.18 2bhq n GLU 249 N -4.45 1.65 -2.11 1.57 1.02 -0.71 -4.69 120.64 112.93 2bhq n GLU 249 Ca 0.10 -1.13 -0.41 0.00 -0.02 0.00 0.00 57.16 55.70 2bhq n GLU 249 Cb 0.12 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2bhq n GLU 249 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2bhq s HIS 250 N -2.12 3.13 0.28 -0.32 2.46 -0.90 -4.76 115.29 113.06 2bhq s HIS 250 Ca 0.32 1.14 0.37 0.00 0.47 0.00 0.00 55.06 57.36 2bhq s HIS 250 Cb 0.20 -3.71 1.73 0.00 -0.13 0.00 0.00 32.58 30.67 2bhq s HIS 250 CO 0.38 -2.27 2.11 -1.00 -2.47 0.00 0.00 174.74 171.49 2bhq h PRO 251 N 5.08 0.00 -0.66 2.88 0.13 -1.89 -2.86 132.00 134.68 2bhq h PRO 251 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bhq h PRO 251 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bhq h PRO 251 CO 0.77 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.08 2bhq n ARG 252 N -3.07 3.22 -3.43 0.86 1.74 -1.26 -4.47 116.66 110.25 2bhq n ARG 252 Ca -0.01 -2.73 -0.38 0.00 -0.77 0.00 0.00 57.85 53.96 2bhq n ARG 252 Cb 0.22 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 2bhq n ARG 252 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bhq s ILE 253 N -1.43 5.22 0.04 0.55 -1.09 -1.08 -4.86 121.20 118.54 2bhq s ILE 253 Ca 0.48 0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 59.40 2bhq s ILE 253 Cb 0.28 -3.68 -0.31 0.00 -1.58 0.00 0.00 42.46 37.17 2bhq s ILE 253 CO 0.28 0.24 1.00 -0.09 -1.23 0.00 0.00 174.94 175.14 2bhq h ARG 254 N 7.60 0.37 -3.67 2.79 9.65 -1.51 -3.47 114.38 126.14 2bhq h ARG 254 Ca -0.35 -0.63 -0.07 0.00 -1.10 0.00 0.00 59.98 57.83 2bhq h ARG 254 Cb 1.16 0.23 -0.13 0.00 -1.39 0.00 0.00 29.97 29.85 2bhq h ARG 254 CO 0.69 1.28 -0.24 -0.59 2.80 0.00 0.00 179.97 183.91 2bhq s PHE 255 N -2.62 0.11 -0.06 2.20 -0.71 -1.26 -3.12 117.98 112.52 2bhq s PHE 255 Ca -0.08 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.34 2bhq s PHE 255 Cb 0.06 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2bhq s PHE 255 CO 0.90 -0.68 -0.07 0.42 -1.34 0.00 0.00 175.22 174.45 2bhq s ILE 256 N -3.88 0.75 -0.23 -4.49 1.01 -0.01 -1.59 121.20 112.75 2bhq s ILE 256 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2bhq s ILE 256 Cb 0.03 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.78 2bhq s ILE 256 CO -0.07 0.28 -0.11 0.21 0.00 0.00 0.00 174.94 175.26 2bhq s ASN 257 N 1.05 4.03 0.01 3.58 2.47 -0.12 -0.52 114.94 125.44 2bhq s ASN 257 Ca -0.08 -0.89 0.04 0.00 0.42 0.00 0.00 52.86 52.34 2bhq s ASN 257 Cb -0.14 -1.60 -0.01 0.00 -1.45 0.00 0.00 41.25 38.05 2bhq s ASN 257 CO -0.00 -0.10 -0.12 0.12 -3.72 0.00 0.00 177.10 173.27 2bhq s PHE 258 N 1.28 1.05 -0.05 0.43 5.36 0.34 -0.98 117.98 125.41 2bhq s PHE 258 Ca -0.00 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.70 2bhq s PHE 258 Cb -0.16 -0.66 0.03 0.00 -0.34 0.00 0.00 43.02 41.89 2bhq s PHE 258 CO -0.07 -0.00 0.03 0.99 -1.46 0.00 0.00 175.22 174.71 2bhq s THR 259 N -0.48 0.10 -1.73 0.12 2.01 -1.02 -1.27 115.64 113.37 2bhq s THR 259 Ca 0.03 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2bhq s THR 259 Cb -0.06 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.15 2bhq s THR 259 CO 0.00 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2bhq n GLY 260 N 5.10 -0.67 3.77 4.40 0.00 -0.43 -3.61 105.19 113.74 2bhq n GLY 260 Ca -0.08 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2bhq n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bhq s SER 261 N -4.00 5.22 0.21 1.61 1.04 -1.26 -3.83 113.70 112.69 2bhq s SER 261 Ca 0.00 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.37 2bhq s SER 261 Cb 0.00 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.73 2bhq s SER 261 CO 0.00 -1.56 1.75 0.25 0.98 0.00 0.00 173.24 174.66 2bhq h LEU 262 N 0.20 1.05 -0.32 2.42 5.85 -1.91 -0.68 115.31 121.92 2bhq h LEU 262 Ca -0.47 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.11 2bhq h LEU 262 Cb 1.25 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2bhq h LEU 262 CO 0.55 0.99 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.41 2bhq h GLU 263 N 1.07 -0.08 -0.27 1.25 4.81 -1.92 0.12 114.58 119.56 2bhq h GLU 263 Ca 0.23 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.30 2bhq h GLU 263 Cb 0.32 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2bhq h GLU 263 CO -0.00 -0.05 -0.50 0.28 -0.73 0.00 0.00 179.01 178.00 2bhq h VAL 264 N -0.08 1.29 -0.89 0.32 2.07 -1.91 -3.10 116.25 113.95 2bhq h VAL 264 Ca 0.16 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 66.02 2bhq h VAL 264 Cb 0.33 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2bhq h VAL 264 CO -0.38 0.55 0.58 1.23 0.02 0.00 0.00 177.57 179.57 2bhq h GLY 265 N 0.57 1.26 1.02 2.17 0.00 -0.57 -0.59 103.07 106.94 2bhq h GLY 265 Ca 0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 2bhq h GLY 265 CO 0.11 0.40 0.13 1.41 0.00 0.00 0.00 176.54 178.58 2bhq h LEU 266 N 1.13 0.91 -0.63 3.11 3.38 -0.78 -0.87 115.31 121.56 2bhq h LEU 266 Ca 0.35 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2bhq h LEU 266 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2bhq h LEU 266 CO -0.10 0.92 0.05 0.11 0.09 0.00 0.00 178.44 179.52 2bhq h LYS 267 N 0.86 1.08 -0.33 1.13 1.57 -1.32 -1.62 116.57 117.95 2bhq h LYS 267 Ca 0.18 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2bhq h LYS 267 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2bhq h LYS 267 CO 0.01 1.02 0.06 0.82 -0.57 0.00 0.00 179.45 180.79 2bhq h ILE 268 N 0.99 1.23 -0.47 1.86 2.04 -0.92 -1.15 117.51 121.09 2bhq h ILE 268 Ca 0.19 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 2bhq h ILE 268 Cb 0.50 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2bhq h ILE 268 CO 0.02 0.27 0.04 0.22 0.00 0.00 0.00 178.15 178.70 2bhq h TYR 269 N 0.37 0.79 -0.26 1.37 5.03 -1.05 0.04 116.97 123.26 2bhq h TYR 269 Ca 0.10 -0.09 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2bhq h TYR 269 Cb 0.34 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 2bhq h TYR 269 CO 0.02 0.72 -0.13 1.49 -1.32 0.00 0.00 178.16 178.94 2bhq h GLU 270 N 0.72 0.55 -0.58 1.82 4.81 -1.13 -2.84 114.58 117.93 2bhq h GLU 270 Ca 0.15 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2bhq h GLU 270 Cb 0.38 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2bhq h GLU 270 CO 0.01 0.81 0.11 0.00 -0.73 0.00 0.00 179.01 179.21 2bhq h ALA 271 N 0.73 1.10 0.00 2.92 0.00 -0.92 -2.37 119.26 120.73 2bhq h ALA 271 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2bhq h ALA 271 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bhq h ALA 271 CO 0.04 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.77 2bhq h ALA 272 N 1.24 1.35 0.00 0.00 0.00 -0.91 -2.02 119.26 118.92 2bhq h ALA 272 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bhq h ALA 272 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bhq h ALA 272 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2bhq n GLY 273 N -0.80 -1.47 3.87 0.00 0.00 -0.89 -4.20 105.19 101.69 2bhq n GLY 273 Ca -0.02 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2bhq n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhq s ARG 274 N -3.05 3.77 -0.50 1.61 0.52 -0.76 -5.02 118.95 115.51 2bhq s ARG 274 Ca 0.11 0.18 -0.20 0.00 -0.52 0.00 0.00 55.73 55.31 2bhq s ARG 274 Cb 0.15 -2.85 0.05 0.00 0.52 0.00 0.00 34.95 32.83 2bhq s ARG 274 CO 0.50 0.45 0.64 -1.17 0.02 0.00 0.00 175.30 175.75 2bhq s LEU 275 N -2.37 4.87 0.66 2.53 2.96 -1.26 -4.90 118.68 121.17 2bhq s LEU 275 Ca 0.40 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 2bhq s LEU 275 Cb -0.13 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.07 2bhq s LEU 275 CO 0.21 -0.90 1.13 0.00 -1.32 0.00 0.00 176.35 175.46 2bhq s ALA 276 N 2.72 2.43 -0.11 5.97 0.00 -1.26 -4.88 121.76 126.63 2bhq s ALA 276 Ca 0.17 0.62 -0.36 0.00 0.00 0.00 0.00 51.96 52.39 2bhq s ALA 276 Cb -0.18 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.46 2bhq s ALA 276 CO 0.13 -1.33 1.80 -2.30 0.00 0.00 0.00 175.76 174.06 2bhq n PRO 277 N -2.38 1.86 -0.41 0.00 -0.02 -1.26 -0.92 135.00 131.87 2bhq n PRO 277 Ca 0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2bhq n PRO 277 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2bhq n PRO 277 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhq n GLY 278 N 4.20 1.18 3.76 -1.23 0.00 -1.26 -4.77 105.19 107.07 2bhq n GLY 278 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2bhq n GLY 278 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bhq s GLN 279 N -0.37 4.32 -0.22 1.61 0.74 -0.09 -4.96 119.66 120.68 2bhq s GLN 279 Ca 0.00 2.25 0.11 0.00 0.05 0.00 0.00 55.36 57.77 2bhq s GLN 279 Cb 0.00 -3.08 0.43 0.00 1.10 0.00 0.00 33.01 31.46 2bhq s GLN 279 CO 0.00 -0.28 1.24 0.25 -0.55 0.00 0.00 175.29 175.95 2bhq n THR 280 N 1.33 2.25 -3.76 -0.34 -2.24 -1.26 -4.91 114.28 105.35 2bhq n THR 280 Ca 0.02 -3.23 -0.06 0.00 -2.27 0.00 0.00 64.05 58.51 2bhq n THR 280 Cb 0.41 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2bhq n THR 280 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2bhq s TRP 281 N -3.25 -0.21 -0.35 4.78 -2.14 -1.26 -5.12 118.94 111.39 2bhq s TRP 281 Ca 0.39 -0.15 -0.16 0.00 2.66 0.00 0.00 56.10 58.84 2bhq s TRP 281 Cb 0.37 0.66 -0.01 0.00 -3.10 0.00 0.00 33.47 31.40 2bhq s TRP 281 CO -0.06 -1.03 0.40 -0.06 -2.66 0.00 0.00 176.95 173.54 2bhq s PHE 282 N -3.65 3.20 0.48 1.66 0.40 -1.26 -4.98 117.98 113.83 2bhq s PHE 282 Ca 0.10 0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.21 2bhq s PHE 282 Cb -0.04 -2.74 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 2bhq s PHE 282 CO 0.03 -0.47 1.29 0.15 0.70 0.00 0.00 175.22 176.92 2bhq s LYS 283 N 2.12 3.55 -0.15 0.44 1.02 -1.26 -5.02 119.74 120.44 2bhq s LYS 283 Ca 0.14 2.09 -0.05 0.00 0.02 0.00 0.00 55.97 58.17 2bhq s LYS 283 Cb -0.16 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2bhq s LYS 283 CO 0.12 -0.82 0.02 1.03 -0.92 0.00 0.00 175.35 174.78 2bhq s ARG 284 N -2.66 3.60 -0.09 1.68 0.52 -1.18 -4.86 118.95 115.95 2bhq s ARG 284 Ca 0.65 -0.40 -0.00 0.00 -0.52 0.00 0.00 55.73 55.46 2bhq s ARG 284 Cb -0.37 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.12 2bhq s ARG 284 CO 0.45 0.40 -0.06 0.00 0.02 0.00 0.00 175.30 176.11 2bhq s ALA 285 N -0.03 1.08 -0.19 2.13 0.00 -1.26 -0.83 121.76 122.66 2bhq s ALA 285 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 2bhq s ALA 285 Cb -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2bhq s ALA 285 CO 0.02 -0.30 -0.06 0.71 0.00 0.00 0.00 175.76 176.13 2bhq s TYR 286 N 1.52 2.95 -0.02 0.00 1.51 0.32 -4.98 117.35 118.65 2bhq s TYR 286 Ca 0.00 -0.70 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 2bhq s TYR 286 Cb -0.13 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2bhq s TYR 286 CO -0.05 -0.34 -0.09 0.14 -1.11 0.00 0.00 175.55 174.10 2bhq s VAL 287 N 0.97 0.80 -0.22 0.71 -7.23 -1.26 -0.50 120.40 113.67 2bhq s VAL 287 Ca -0.00 -0.38 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 2bhq s VAL 287 Cb -0.15 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.11 2bhq s VAL 287 CO 0.00 0.25 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.23 2bhq s GLU 288 N 0.12 2.86 -0.22 4.82 -6.30 -0.40 -1.15 118.70 118.43 2bhq s GLU 288 Ca -0.02 -0.94 0.11 0.00 -2.50 0.00 0.00 54.97 51.62 2bhq s GLU 288 Cb -0.08 -2.84 0.42 0.00 0.00 0.00 0.00 34.13 31.64 2bhq s GLU 288 CO 0.00 -0.34 1.22 0.25 0.02 0.00 0.00 175.26 176.41 2bhq n THR 289 N 4.63 2.22 -1.51 -1.70 -2.24 -0.14 -1.32 114.28 114.22 2bhq n THR 289 Ca -0.18 -3.32 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 2bhq n THR 289 Cb 0.48 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2bhq n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bhq n GLY 290 N -1.06 -2.31 3.86 3.38 0.00 -1.25 -3.42 105.19 104.39 2bhq n GLY 290 Ca 0.21 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 2bhq n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bhq s GLY 291 N -0.70 0.11 -0.44 -0.02 0.00 -1.24 -4.24 107.32 100.78 2bhq s GLY 291 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.45 2bhq s GLY 291 CO 0.00 1.92 0.47 1.17 0.00 0.00 0.00 173.10 176.67 2bhq n LYS 292 N -0.66 0.76 -2.57 2.90 3.00 -1.26 -4.57 118.16 115.76 2bhq n LYS 292 Ca -0.04 -3.42 -0.41 0.00 -0.00 0.00 0.00 58.31 54.44 2bhq n LYS 292 Cb 0.60 -1.55 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 2bhq n LYS 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bhq s ASP 293 N -0.85 7.30 0.14 3.14 1.01 -1.26 -4.86 116.67 121.30 2bhq s ASP 293 Ca 0.34 1.96 0.10 0.00 0.71 0.00 0.00 52.55 55.66 2bhq s ASP 293 Cb 0.10 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2bhq s ASP 293 CO -0.14 -0.23 -0.20 0.00 0.21 0.00 0.00 175.17 174.81 2bhq s ALA 294 N 0.15 2.61 -0.13 5.23 0.00 -1.26 -0.83 121.76 127.53 2bhq s ALA 294 Ca 0.50 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2bhq s ALA 294 Cb -0.27 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2bhq s ALA 294 CO 0.32 0.53 -0.20 0.42 0.00 0.00 0.00 175.76 176.83 2bhq s ILE 295 N -1.30 2.32 -0.15 0.00 1.01 -0.63 -1.28 121.20 121.17 2bhq s ILE 295 Ca 0.18 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2bhq s ILE 295 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2bhq s ILE 295 CO 0.10 0.54 0.13 -0.63 0.00 0.00 0.00 174.94 175.07 2bhq s ILE 296 N 0.66 5.38 -0.07 2.92 1.01 0.76 -0.88 121.20 130.97 2bhq s ILE 296 Ca -0.10 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2bhq s ILE 296 Cb -0.16 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2bhq s ILE 296 CO 0.02 0.56 -0.09 -0.69 0.00 0.00 0.00 174.94 174.74 2bhq s VAL 297 N -0.54 0.92 0.52 2.92 1.01 -0.39 -0.60 120.40 124.23 2bhq s VAL 297 Ca 0.12 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2bhq s VAL 297 Cb -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2bhq s VAL 297 CO 0.02 0.32 0.44 1.51 0.00 0.00 0.00 175.10 177.39 2bhq s ASP 298 N 0.98 4.77 0.00 3.32 1.47 -1.05 -2.48 116.67 123.68 2bhq s ASP 298 Ca -0.09 -1.09 0.10 0.00 1.18 0.00 0.00 52.55 52.65 2bhq s ASP 298 Cb -0.15 0.16 0.44 0.00 -0.34 0.00 0.00 42.92 43.03 2bhq s ASP 298 CO 0.00 -1.02 1.30 -1.84 0.68 0.00 0.00 175.17 174.29 2bhq n GLU 299 N -1.76 0.02 0.00 2.11 0.28 -1.26 -2.44 120.64 117.59 2bhq n GLU 299 Ca 0.02 0.31 0.12 0.00 -0.16 0.00 0.00 57.16 57.45 2bhq n GLU 299 Cb 0.63 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.22 2bhq n GLU 299 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2bhq n THR 300 N -1.47 0.00 -1.23 3.84 -2.24 -1.26 -4.90 114.28 107.02 2bhq n THR 300 Ca 0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2bhq n THR 300 Cb 0.11 0.60 0.12 0.00 -2.10 0.00 0.00 70.33 69.07 2bhq n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bhq s ALA 301 N -2.67 1.76 -0.64 6.98 0.00 -1.02 -3.70 121.76 122.47 2bhq s ALA 301 Ca 0.18 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 2bhq s ALA 301 Cb 0.18 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 20.15 2bhq s ALA 301 CO 0.61 -2.17 0.99 0.34 0.00 0.00 0.00 175.76 175.54 2bhq s ASP 302 N -3.43 6.22 0.39 0.00 3.68 -1.26 -4.90 116.67 117.36 2bhq s ASP 302 Ca 0.63 -0.75 0.08 0.00 2.13 0.00 0.00 52.55 54.63 2bhq s ASP 302 Cb -0.18 -2.44 0.83 0.00 -1.45 0.00 0.00 42.92 39.68 2bhq s ASP 302 CO 0.57 -1.43 2.00 -0.26 0.13 0.00 0.00 175.17 176.18 2bhq h PHE 303 N 9.55 0.62 -0.26 -5.34 0.05 -1.94 -0.67 116.94 118.94 2bhq h PHE 303 Ca -0.28 0.02 -0.16 0.00 3.82 0.00 0.00 57.97 61.37 2bhq h PHE 303 Cb 1.07 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 38.81 2bhq h PHE 303 CO 0.97 0.35 -0.45 -0.44 -0.18 0.00 0.00 178.31 178.55 2bhq h ASP 304 N 0.63 0.85 -0.51 2.17 3.32 -1.94 -1.24 116.42 119.71 2bhq h ASP 304 Ca 0.24 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 2bhq h ASP 304 Cb 0.18 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2bhq h ASP 304 CO -0.07 1.22 0.22 0.25 -1.72 0.00 0.00 179.24 179.14 2bhq h LEU 305 N 0.52 0.68 -0.33 1.55 5.85 -1.87 -2.23 115.31 119.48 2bhq h LEU 305 Ca 0.02 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2bhq h LEU 305 Cb 1.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2bhq h LEU 305 CO 0.10 0.65 0.19 0.00 -0.34 0.00 0.00 178.44 179.04 2bhq h ALA 306 N 1.06 0.42 -0.92 1.25 0.00 -1.06 -1.57 119.26 118.43 2bhq h ALA 306 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2bhq h ALA 306 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2bhq h ALA 306 CO -0.02 -0.07 0.61 0.00 0.00 0.00 0.00 179.25 179.77 2bhq h ALA 307 N 1.06 1.17 -0.16 0.00 0.00 -1.05 0.26 119.26 120.54 2bhq h ALA 307 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bhq h ALA 307 Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2bhq h ALA 307 CO -0.02 0.57 0.06 1.49 0.00 0.00 0.00 179.25 181.35 2bhq h GLU 308 N 1.25 0.24 -0.49 0.00 4.22 -1.17 -1.59 114.58 117.04 2bhq h GLU 308 Ca 0.34 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.67 2bhq h GLU 308 Cb -0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2bhq h GLU 308 CO -0.07 0.34 0.07 0.78 -2.18 0.00 0.00 179.01 177.96 2bhq h GLY 309 N 0.09 0.83 0.88 1.92 0.00 -0.88 -1.80 103.07 104.11 2bhq h GLY 309 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2bhq h GLY 309 CO -0.00 0.47 0.01 -2.08 0.00 0.00 0.00 176.54 174.93 2bhq h VAL 310 N 0.74 1.25 -0.62 4.60 2.07 -0.81 -0.64 116.25 122.83 2bhq h VAL 310 Ca 0.16 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 2bhq h VAL 310 Cb 0.34 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2bhq h VAL 310 CO 0.01 0.29 0.21 0.58 0.02 0.00 0.00 177.57 178.67 2bhq h VAL 311 N 0.31 1.24 -0.28 2.57 2.07 -1.09 0.16 116.25 121.24 2bhq h VAL 311 Ca 0.08 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2bhq h VAL 311 Cb 0.41 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2bhq h VAL 311 CO 0.01 0.31 0.10 0.58 0.02 0.00 0.00 177.57 178.59 2bhq h VAL 312 N 0.89 1.19 -0.34 2.57 2.07 -1.27 -1.43 116.25 119.93 2bhq h VAL 312 Ca 0.20 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2bhq h VAL 312 Cb 0.27 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2bhq h VAL 312 CO -0.01 0.20 -0.19 0.28 0.02 0.00 0.00 177.57 177.86 2bhq h SER 313 N 0.29 0.63 0.49 0.57 0.02 -0.86 -1.52 113.55 113.17 2bhq h SER 313 Ca 0.09 -0.21 -0.30 0.00 -0.84 0.00 0.00 61.79 60.54 2bhq h SER 313 Cb 0.21 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.59 2bhq h SER 313 CO -0.01 0.83 -1.41 0.00 -1.14 0.00 0.00 176.83 175.11 2bhq h ALA 314 N 1.22 0.12 -0.01 3.77 0.00 -0.62 -1.62 119.26 122.13 2bhq h ALA 314 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2bhq h ALA 314 Cb 0.65 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bhq h ALA 314 CO 0.05 1.00 -0.11 0.66 0.00 0.00 0.00 179.25 180.84 2bhq n TYR 315 N -3.53 0.00 -1.76 0.00 4.01 -0.55 -3.48 117.16 111.86 2bhq n TYR 315 Ca -0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 2bhq n TYR 315 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 2bhq n TYR 315 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2bhq s GLY 316 N -1.17 2.12 -1.62 2.72 0.00 -0.57 -1.16 107.32 107.65 2bhq s GLY 316 Ca 0.11 1.60 -0.13 0.00 0.00 0.00 0.00 44.72 46.29 2bhq s GLY 316 CO 0.20 2.57 0.70 0.33 0.00 0.00 0.00 173.10 176.90 2bhq n PHE 317 N 2.11 -1.76 -2.24 1.90 7.35 -1.26 -1.34 117.46 122.22 2bhq n PHE 317 Ca 0.08 0.79 -0.17 0.00 -0.76 0.00 0.00 57.45 57.40 2bhq n PHE 317 Cb 0.37 -3.22 -0.02 0.00 0.35 0.00 0.00 39.48 36.96 2bhq n PHE 317 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2bhq n GLN 318 N -4.42 -1.84 -1.02 -4.13 3.00 -0.31 -1.34 117.38 107.32 2bhq n GLN 318 Ca -0.03 0.84 -0.01 0.00 -0.01 0.00 0.00 57.00 57.80 2bhq n GLN 318 Cb 0.54 -5.41 -0.00 0.00 0.00 0.00 0.00 30.24 25.37 2bhq n GLN 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bhq n GLY 319 N -0.79 0.36 2.41 1.08 0.00 -0.45 -1.19 105.19 106.61 2bhq n GLY 319 Ca -0.19 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2bhq n GLY 319 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bhq n GLN 320 N -1.57 3.67 -4.03 1.61 6.02 -0.45 -3.43 117.38 119.21 2bhq n GLN 320 Ca -0.01 -2.75 -0.13 0.00 -0.01 0.00 0.00 57.00 54.11 2bhq n GLN 320 Cb 0.20 -2.48 -0.13 0.00 1.02 0.00 0.00 30.24 28.85 2bhq n GLN 320 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bhq s LYS 321 N -0.55 0.31 0.32 -1.09 1.02 -1.26 -4.85 119.74 113.63 2bhq s LYS 321 Ca 0.59 -0.34 0.25 0.00 0.02 0.00 0.00 55.97 56.50 2bhq s LYS 321 Cb 0.25 -0.18 1.09 0.00 -0.52 0.00 0.00 37.83 38.47 2bhq s LYS 321 CO -0.11 0.04 1.76 0.00 -0.92 0.00 0.00 175.35 176.11 2bhq n SER 323 N -2.37 2.03 -4.78 0.00 3.41 -1.26 -3.71 113.62 106.93 2bhq n SER 323 Ca 0.01 -1.51 -0.41 0.00 -0.26 0.00 0.00 58.87 56.70 2bhq n SER 323 Cb 0.21 0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.63 2bhq n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bhq s ALA 324 N -2.47 3.56 -0.40 7.33 0.00 -0.86 -4.44 121.76 124.48 2bhq s ALA 324 Ca 0.19 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.43 2bhq s ALA 324 Cb 0.18 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2bhq s ALA 324 CO 0.57 -1.06 1.40 0.00 0.00 0.00 0.00 175.76 176.67 2bhq s ALA 325 N -1.13 3.09 -0.98 0.00 0.00 -0.61 -4.07 121.76 118.06 2bhq s ALA 325 Ca 0.53 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.48 2bhq s ALA 325 Cb -0.46 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 18.72 2bhq s ALA 325 CO 0.63 -2.31 0.66 -1.13 0.00 0.00 0.00 175.76 173.60 2bhq n SER 326 N 8.66 1.21 -3.99 0.00 3.41 -0.01 -4.02 113.62 118.88 2bhq n SER 326 Ca 0.16 -1.10 -0.20 0.00 -0.26 0.00 0.00 58.87 57.47 2bhq n SER 326 Cb 0.48 0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 64.81 2bhq n SER 326 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bhq s ARG 327 N -1.56 0.88 -0.25 4.33 0.52 -0.78 -1.28 118.95 120.81 2bhq s ARG 327 Ca 0.09 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2bhq s ARG 327 Cb 0.09 -0.83 0.06 0.00 0.52 0.00 0.00 34.95 34.79 2bhq s ARG 327 CO 0.31 0.11 -0.08 -1.17 0.02 0.00 0.00 175.30 174.49 2bhq s LEU 328 N 0.17 3.07 -0.34 2.53 2.96 0.27 -1.61 118.68 125.74 2bhq s LEU 328 Ca -0.03 -1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 52.45 2bhq s LEU 328 Cb -0.08 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 2bhq s LEU 328 CO 0.00 -0.21 0.23 -0.63 -1.32 0.00 0.00 176.35 174.42 2bhq s ILE 329 N 1.23 5.14 -0.12 6.68 1.01 -0.06 -0.57 121.20 134.51 2bhq s ILE 329 Ca -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2bhq s ILE 329 Cb -0.19 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2bhq s ILE 329 CO -0.06 -0.03 -0.16 -0.76 0.00 0.00 0.00 174.94 173.93 2bhq s LEU 330 N 1.69 2.52 0.76 2.97 1.43 -0.28 -1.26 118.68 126.52 2bhq s LEU 330 Ca 0.06 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2bhq s LEU 330 Cb -0.18 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2bhq s LEU 330 CO 0.10 0.17 1.08 0.42 0.23 0.00 0.00 176.35 178.34 2bhq s THR 331 N 0.33 3.46 0.24 5.49 -4.23 -1.04 -0.91 115.64 118.99 2bhq s THR 331 Ca -0.13 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 60.80 2bhq s THR 331 Cb -0.16 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 70.80 2bhq s THR 331 CO 0.07 -0.62 1.68 1.56 -0.54 0.00 0.00 174.62 176.77 2bhq h GLN 332 N -1.02 0.26 0.00 3.99 1.08 -1.19 -0.48 115.11 117.75 2bhq h GLN 332 Ca -0.45 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 56.71 2bhq h GLN 332 Cb 1.24 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2bhq h GLN 332 CO 0.55 0.17 -0.13 0.78 -0.95 0.00 0.00 178.83 179.26 2bhq h GLY 333 N 0.26 0.00 0.22 3.46 0.00 -1.89 -3.05 103.07 102.08 2bhq h GLY 333 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2bhq h GLY 333 CO -0.52 0.00 -1.19 0.00 0.00 0.00 0.00 176.54 174.83 2bhq n ALA 334 N -2.19 3.90 0.03 3.60 0.00 -0.40 -4.70 120.51 120.75 2bhq n ALA 334 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 2bhq n ALA 334 Cb 0.33 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2bhq n ALA 334 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2bhq h TYR 335 N 0.00 -0.45 0.09 0.00 3.20 -1.03 -1.47 116.97 117.31 2bhq h TYR 335 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2bhq h TYR 335 Cb 0.67 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2bhq h TYR 335 CO 0.00 -0.17 -0.04 0.93 -1.64 0.00 0.00 178.16 177.24 2bhq h GLU 336 N -0.22 -0.11 -0.59 1.82 4.39 -1.84 -0.85 114.58 117.18 2bhq h GLU 336 Ca -0.00 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.77 2bhq h GLU 336 Cb 0.22 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 2bhq h GLU 336 CO -0.09 -0.04 0.28 -1.35 -1.16 0.00 0.00 179.01 176.65 2bhq h PRO 337 N -0.16 0.50 -0.04 2.33 0.11 -1.84 -1.54 132.00 131.37 2bhq h PRO 337 Ca -0.01 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 2bhq h PRO 337 Cb 0.13 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.13 2bhq h PRO 337 CO 0.02 0.33 -0.54 0.28 -0.21 0.00 0.00 178.00 177.89 2bhq h VAL 338 N 0.52 1.41 -0.70 3.15 2.07 -1.24 -3.01 116.25 118.45 2bhq h VAL 338 Ca 0.27 -1.96 0.01 0.00 0.82 0.00 0.00 66.70 65.85 2bhq h VAL 338 Cb 0.24 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 2bhq h VAL 338 CO -0.22 0.57 0.46 0.25 0.02 0.00 0.00 177.57 178.65 2bhq h LEU 339 N -0.04 0.78 -0.85 2.57 5.85 -1.06 0.81 115.31 123.36 2bhq h LEU 339 Ca -0.06 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2bhq h LEU 339 Cb 1.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2bhq h LEU 339 CO 0.11 0.56 0.33 -0.33 -0.34 0.00 0.00 178.44 178.76 2bhq h GLU 340 N 0.92 1.17 -0.34 1.25 5.08 -1.36 -0.42 114.58 120.88 2bhq h GLU 340 Ca 0.26 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2bhq h GLU 340 Cb -0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2bhq h GLU 340 CO -0.07 0.93 -0.39 0.00 -1.00 0.00 0.00 179.01 178.48 2bhq h ARG 341 N 1.14 0.82 -0.44 2.33 3.08 -1.29 -1.55 114.38 118.47 2bhq h ARG 341 Ca 0.26 -0.43 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 2bhq h ARG 341 Cb 0.19 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2bhq h ARG 341 CO -0.02 1.06 0.06 0.28 -1.07 0.00 0.00 179.97 180.27 2bhq h VAL 342 N 0.67 1.25 -0.52 2.04 2.07 -0.53 -1.79 116.25 119.43 2bhq h VAL 342 Ca 0.05 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2bhq h VAL 342 Cb 0.96 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2bhq h VAL 342 CO 0.09 0.32 0.15 -0.07 0.02 0.00 0.00 177.57 178.08 2bhq h LEU 343 N 0.59 0.76 -0.70 2.57 3.38 -1.00 0.77 115.31 121.70 2bhq h LEU 343 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2bhq h LEU 343 Cb 0.40 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2bhq h LEU 343 CO 0.01 0.78 0.39 0.11 0.09 0.00 0.00 178.44 179.82 2bhq h LYS 344 N 0.71 0.97 -0.14 1.13 1.57 -1.16 -0.85 116.57 118.80 2bhq h LYS 344 Ca 0.17 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2bhq h LYS 344 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2bhq h LYS 344 CO -0.00 0.72 -0.33 0.00 -0.57 0.00 0.00 179.45 179.27 2bhq h ARG 345 N 0.96 0.47 -0.45 3.15 3.08 -1.17 -3.27 114.38 117.15 2bhq h ARG 345 Ca 0.25 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2bhq h ARG 345 Cb 0.02 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2bhq h ARG 345 CO -0.04 0.93 0.13 0.00 -1.07 0.00 0.00 179.97 179.92 2bhq h ALA 346 N 0.54 1.38 0.00 0.04 0.00 -0.71 -2.38 119.26 118.14 2bhq h ALA 346 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bhq h ALA 346 Cb 0.93 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2bhq h ALA 346 CO 0.07 0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 2bhq n GLU 347 N -4.32 0.13 0.00 0.00 0.28 -0.34 -2.29 120.64 114.10 2bhq n GLU 347 Ca 0.03 0.35 0.13 0.00 -0.16 0.00 0.00 57.16 57.51 2bhq n GLU 347 Cb 0.19 -1.74 0.25 0.00 1.43 0.00 0.00 31.44 31.56 2bhq n GLU 347 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2bhq n ARG 348 N -1.99 1.85 -2.40 3.44 1.74 -0.90 -4.94 116.66 113.46 2bhq n ARG 348 Ca 0.03 -1.38 -0.41 0.00 -0.77 0.00 0.00 57.85 55.31 2bhq n ARG 348 Cb 0.22 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2bhq n ARG 348 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bhq s LEU 349 N -2.10 4.45 0.23 0.55 1.43 -0.97 -5.02 118.68 117.24 2bhq s LEU 349 Ca 0.30 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2bhq s LEU 349 Cb 0.20 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 2bhq s LEU 349 CO 0.36 -0.35 0.58 -0.94 0.23 0.00 0.00 176.35 176.23 2bhq s SER 350 N 0.13 6.69 -0.05 2.29 1.04 -1.26 -4.97 113.70 117.57 2bhq s SER 350 Ca 0.52 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.97 2bhq s SER 350 Cb -0.32 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.56 2bhq s SER 350 CO 0.36 -0.06 -0.05 -0.69 0.98 0.00 0.00 173.24 173.78 2bhq s VAL 351 N -1.77 0.59 -0.71 5.02 1.01 -1.26 -0.90 120.40 122.39 2bhq s VAL 351 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2bhq s VAL 351 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2bhq s VAL 351 CO 0.20 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2bhq n GLY 352 N 4.09 -1.25 3.63 4.51 0.00 -0.69 -5.00 105.19 110.47 2bhq n GLY 352 Ca -0.24 -0.86 -0.52 0.00 0.00 0.00 0.00 46.02 44.41 2bhq n GLY 352 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bhq n PRO 353 N 0.00 1.36 -0.21 1.61 -0.02 -1.26 -4.18 135.00 132.29 2bhq n PRO 353 Ca 0.00 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 2bhq n PRO 353 Cb 0.00 -2.17 0.44 0.00 -0.02 0.00 0.00 33.50 31.75 2bhq n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bhq h ALA 354 N 5.53 1.98 0.00 3.55 0.00 -1.86 -1.82 119.26 126.64 2bhq h ALA 354 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bhq h ALA 354 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bhq h ALA 354 CO 0.84 -0.19 0.00 1.05 0.00 0.00 0.00 179.25 180.95 2bhq h GLU 355 N 0.55 0.00 -0.13 0.00 4.11 -1.84 -0.50 114.58 116.76 2bhq h GLU 355 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 2bhq h GLU 355 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2bhq h GLU 355 CO -0.15 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.32 2bhq n GLU 356 N -2.97 1.50 -3.58 1.06 1.02 -0.68 -4.94 120.64 112.05 2bhq n GLU 356 Ca -0.02 -0.75 -0.21 0.00 -0.02 0.00 0.00 57.16 56.16 2bhq n GLU 356 Cb 0.13 -1.33 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 2bhq n GLU 356 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bhq n ASN 357 N -0.01 -2.82 -4.65 1.62 5.15 -0.19 -5.01 115.26 109.36 2bhq n ASN 357 Ca 0.14 -0.80 -0.29 0.00 -0.60 0.00 0.00 54.58 53.03 2bhq n ASN 357 Cb 0.23 -4.34 0.13 0.00 -0.53 0.00 0.00 39.78 35.28 2bhq n ASN 357 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2bhq s PRO 358 N -5.60 1.26 0.24 1.20 0.04 -1.26 -4.89 135.00 125.98 2bhq s PRO 358 Ca 0.15 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 2bhq s PRO 358 Cb -0.03 -1.87 0.26 0.00 0.04 0.00 0.00 34.50 32.90 2bhq s PRO 358 CO 0.79 -2.07 1.69 -0.44 0.04 0.00 0.00 177.00 177.01 2bhq h ASP 359 N -1.40 0.74 -3.67 6.66 3.32 -1.86 -3.43 116.42 116.79 2bhq h ASP 359 Ca -0.47 -0.23 -0.47 0.00 0.02 0.00 0.00 57.03 55.87 2bhq h ASP 359 Cb 1.31 -0.20 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 2bhq h ASP 359 CO 0.57 0.90 -0.80 -0.76 -1.72 0.00 0.00 179.24 177.43 2bhq s LEU 360 N -8.97 1.71 0.00 1.55 1.02 -0.08 -4.67 118.68 109.24 2bhq s LEU 360 Ca -0.09 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.82 2bhq s LEU 360 Cb 0.14 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.66 2bhq s LEU 360 CO 0.82 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.86 2bhq n GLY 361 N 3.51 1.14 3.92 -3.19 0.00 -1.26 -1.71 105.19 107.61 2bhq n GLY 361 Ca -0.21 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.64 2bhq n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bhq s PRO 362 N 2.14 2.96 0.81 1.61 0.04 -1.26 -4.66 135.00 136.64 2bhq s PRO 362 Ca 0.00 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 2bhq s PRO 362 Cb 0.00 -2.31 0.08 0.00 0.04 0.00 0.00 34.50 32.31 2bhq s PRO 362 CO 0.00 -0.63 1.10 0.14 0.04 0.00 0.00 177.00 177.65 2bhq s VAL 363 N -2.93 3.04 0.41 -0.36 -7.23 0.28 -4.81 120.40 108.80 2bhq s VAL 363 Ca 0.53 0.34 0.22 0.00 -1.81 0.00 0.00 61.98 61.26 2bhq s VAL 363 Cb -0.10 -3.05 0.24 0.00 0.56 0.00 0.00 36.38 34.03 2bhq s VAL 363 CO 0.44 -0.44 2.02 1.62 -0.31 0.00 0.00 175.10 178.43 2bhq h VAL 364 N -1.14 0.78 -3.03 1.32 3.04 -1.89 -3.42 116.25 111.91 2bhq h VAL 364 Ca -0.47 -0.65 0.04 0.00 -1.01 0.00 0.00 66.70 64.61 2bhq h VAL 364 Cb 1.27 1.39 -0.04 0.00 -2.01 0.00 0.00 31.29 31.90 2bhq h VAL 364 CO 0.59 0.16 0.23 -0.94 -1.01 0.00 0.00 177.57 176.59 2bhq s SER 365 N -6.45 -0.18 0.25 3.17 1.04 -1.26 -4.64 113.70 105.63 2bhq s SER 365 Ca -0.03 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 2bhq s SER 365 Cb 0.14 0.75 0.28 0.00 0.10 0.00 0.00 66.02 67.29 2bhq s SER 365 CO 0.63 -1.42 1.85 0.00 0.98 0.00 0.00 173.24 175.28 2bhq h ALA 366 N 2.01 1.19 -0.46 5.32 0.00 -1.99 -0.49 119.26 124.84 2bhq h ALA 366 Ca -0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2bhq h ALA 366 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2bhq h ALA 366 CO 0.28 0.62 0.12 1.49 0.00 0.00 0.00 179.25 181.76 2bhq h GLU 367 N 1.13 0.74 -0.55 0.00 4.57 -1.99 -0.44 114.58 118.05 2bhq h GLU 367 Ca 0.28 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2bhq h GLU 367 Cb 0.09 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2bhq h GLU 367 CO -0.04 0.73 0.04 1.96 -1.18 0.00 0.00 179.01 180.52 2bhq h GLN 368 N 0.62 0.90 -0.38 1.92 1.08 -1.85 -1.46 115.11 115.95 2bhq h GLN 368 Ca 0.15 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2bhq h GLN 368 Cb 0.31 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2bhq h GLN 368 CO 0.00 0.87 0.22 1.49 -0.95 0.00 0.00 178.83 180.46 2bhq h GLU 369 N 0.85 0.52 -0.62 1.46 4.81 -0.78 -0.59 114.58 120.23 2bhq h GLU 369 Ca 0.17 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2bhq h GLU 369 Cb 0.44 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2bhq h GLU 369 CO 0.02 0.41 0.39 -0.09 -0.73 0.00 0.00 179.01 179.00 2bhq h ARG 370 N 0.49 0.75 -0.14 1.92 2.43 -0.73 -0.97 114.38 118.12 2bhq h ARG 370 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2bhq h ARG 370 Cb 0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2bhq h ARG 370 CO -0.02 0.49 0.05 -0.22 -1.51 0.00 0.00 179.97 178.76 2bhq h LYS 371 N 0.77 0.22 -0.48 0.20 3.64 -0.90 -1.14 116.57 118.88 2bhq h LYS 371 Ca 0.24 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2bhq h LYS 371 Cb -0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2bhq h LYS 371 CO -0.09 0.34 0.19 0.28 -2.27 0.00 0.00 179.45 177.91 2bhq h VAL 372 N 0.06 1.21 -0.42 2.00 2.07 -0.92 -1.47 116.25 118.78 2bhq h VAL 372 Ca 0.05 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2bhq h VAL 372 Cb 0.21 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2bhq h VAL 372 CO -0.00 0.25 0.05 -0.07 0.02 0.00 0.00 177.57 177.82 2bhq h LEU 373 N 0.64 0.61 -0.60 2.57 3.38 -1.15 -1.42 115.31 119.35 2bhq h LEU 373 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2bhq h LEU 373 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2bhq h LEU 373 CO -0.01 0.64 0.19 -1.28 0.09 0.00 0.00 178.44 178.07 2bhq h SER 374 N 0.63 0.88 0.37 -0.43 0.87 -0.74 -1.85 113.55 113.27 2bhq h SER 374 Ca 0.14 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 2bhq h SER 374 Cb 0.31 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2bhq h SER 374 CO 0.01 0.85 -0.35 1.88 -0.53 0.00 0.00 176.83 178.69 2bhq h TYR 375 N 0.86 0.00 -0.47 2.24 0.05 -0.80 -1.66 116.97 117.18 2bhq h TYR 375 Ca 0.19 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 2bhq h TYR 375 Cb 0.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2bhq h TYR 375 CO 0.02 0.35 -0.15 0.82 -1.05 0.00 0.00 178.16 178.15 2bhq h ILE 376 N 0.00 1.27 -0.58 -2.88 2.04 -0.68 0.18 117.51 116.86 2bhq h ILE 376 Ca -0.00 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 2bhq h ILE 376 Cb 0.63 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2bhq h ILE 376 CO 0.05 0.44 0.03 -0.33 0.00 0.00 0.00 178.15 178.33 2bhq h GLU 377 N 0.80 1.00 -0.48 2.37 4.39 -0.80 -2.00 114.58 119.87 2bhq h GLU 377 Ca 0.12 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2bhq h GLU 377 Cb 0.69 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2bhq h GLU 377 CO 0.05 0.98 0.26 0.82 -1.16 0.00 0.00 179.01 179.97 2bhq h ILE 378 N 0.89 1.17 -0.46 3.13 2.04 -0.98 -2.60 117.51 120.71 2bhq h ILE 378 Ca 0.17 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2bhq h ILE 378 Cb 0.52 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2bhq h ILE 378 CO 0.02 0.18 0.31 1.23 0.00 0.00 0.00 178.15 179.89 2bhq h GLY 379 N 0.64 0.55 2.00 5.37 0.00 -0.30 -1.53 103.07 109.79 2bhq h GLY 379 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2bhq h GLY 379 CO -0.03 0.16 0.00 0.50 0.00 0.00 0.00 176.54 177.17 2bhq h LYS 380 N 0.47 0.00 -0.01 4.80 1.57 -0.96 0.19 116.57 122.64 2bhq h LYS 380 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2bhq h LYS 380 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2bhq h LYS 380 CO -0.05 0.00 -0.60 0.09 -0.57 0.00 0.00 179.45 178.33 2bhq n ASN 381 N -3.08 1.33 -0.04 0.86 3.02 -0.58 -4.54 115.26 112.23 2bhq n ASN 381 Ca -0.02 -1.08 -0.05 0.00 -0.03 0.00 0.00 54.58 53.41 2bhq n ASN 381 Cb 0.16 0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.83 2bhq n ASN 381 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bhq n GLU 382 N -0.78 0.48 -2.25 3.52 1.02 -0.49 -5.10 120.64 117.04 2bhq n GLU 382 Ca 0.08 0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 2bhq n GLU 382 Cb 0.39 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 2bhq n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bhq n GLY 383 N 3.11 4.05 3.44 0.62 0.00 0.54 -4.48 105.19 112.46 2bhq n GLY 383 Ca -0.12 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 2bhq n GLY 383 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bhq s GLN 384 N -2.16 3.47 -0.19 1.61 -1.52 -0.44 -4.57 119.66 115.85 2bhq s GLN 384 Ca 0.02 -0.62 -0.29 0.00 -1.95 0.00 0.00 55.36 52.52 2bhq s GLN 384 Cb 0.00 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.32 2bhq s GLN 384 CO 0.01 -0.32 1.36 -1.17 -0.25 0.00 0.00 175.29 174.93 2bhq s LEU 385 N 1.61 4.09 0.00 2.90 2.96 -1.26 -0.63 118.68 128.35 2bhq s LEU 385 Ca 0.05 1.62 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 2bhq s LEU 385 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2bhq s LEU 385 CO 0.05 -0.92 0.20 1.33 -1.32 0.00 0.00 176.35 175.68 2bhq n VAL 386 N 5.73 0.00 -3.66 1.68 0.24 -0.49 -4.98 118.33 116.86 2bhq n VAL 386 Ca 0.15 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2bhq n VAL 386 Cb 0.45 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 2bhq n VAL 386 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2bhq s LEU 387 N -1.79 -0.48 0.00 1.34 2.96 -1.17 -4.95 118.68 114.59 2bhq s LEU 387 Ca 0.01 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2bhq s LEU 387 Cb 0.02 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.87 2bhq s LEU 387 CO 0.10 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 2bhq n GLY 388 N 3.04 3.43 1.25 7.98 0.00 -1.23 -1.74 105.19 117.92 2bhq n GLY 388 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2bhq n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 389 N 0.00 0.62 3.41 -0.02 0.00 -1.26 -4.96 105.19 102.98 2bhq n GLY 389 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 2bhq n GLY 389 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bhq s LYS 390 N -1.18 1.21 0.27 1.61 -2.85 -1.26 -5.00 119.74 112.55 2bhq s LYS 390 Ca 0.00 -0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 53.78 2bhq s LYS 390 Cb 0.00 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2bhq s LYS 390 CO 0.00 -0.48 1.10 0.50 0.10 0.00 0.00 175.35 176.57 2bhq s ARG 391 N -3.88 4.64 0.46 1.78 6.06 -1.26 -2.13 118.95 124.62 2bhq s ARG 391 Ca 0.09 1.80 0.04 0.00 -2.50 0.00 0.00 55.73 55.17 2bhq s ARG 391 Cb 0.01 -3.19 0.01 0.00 0.06 0.00 0.00 34.95 31.84 2bhq s ARG 391 CO -0.05 0.20 0.64 -0.51 -2.50 0.00 0.00 175.30 173.08 2bhq s LEU 392 N -1.38 3.57 0.31 -0.88 1.43 0.40 -4.92 118.68 117.21 2bhq s LEU 392 Ca 0.45 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 2bhq s LEU 392 Cb -0.32 -2.82 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 2bhq s LEU 392 CO 0.41 -0.83 1.16 -0.70 0.23 0.00 0.00 176.35 176.62 2bhq s GLU 393 N -4.50 4.47 0.00 1.70 -6.30 -1.26 -4.71 118.70 108.10 2bhq s GLU 393 Ca 0.53 1.91 0.00 0.00 -2.50 0.00 0.00 54.97 54.91 2bhq s GLU 393 Cb -0.10 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 30.96 2bhq s GLU 393 CO 0.35 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2bhq n GLY 394 N 0.98 3.72 0.22 -1.50 0.00 -1.26 -4.87 105.19 102.49 2bhq n GLY 394 Ca 0.00 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.42 2bhq n GLY 394 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2bhq h GLU 395 N 0.00 0.00 -7.14 1.61 4.11 -1.91 -3.44 114.58 107.81 2bhq h GLU 395 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 2bhq h GLU 395 Cb 0.00 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.40 2bhq h GLU 395 CO 0.00 0.23 0.45 0.20 0.07 0.00 0.00 179.01 179.96 2bhq s GLY 396 N -4.28 2.61 -1.57 1.06 0.00 -1.26 -4.63 107.32 99.26 2bhq s GLY 396 Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 2bhq s GLY 396 CO 0.63 1.43 2.73 -1.72 0.00 0.00 0.00 173.10 176.17 2bhq n TYR 397 N -2.18 2.74 -2.91 1.90 4.02 -0.88 -4.93 117.16 114.92 2bhq n TYR 397 Ca 0.14 -3.05 -0.42 0.00 -0.01 0.00 0.00 57.90 54.56 2bhq n TYR 397 Cb 0.49 -2.48 -0.04 0.00 -0.02 0.00 0.00 39.34 37.29 2bhq n TYR 397 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2bhq s PHE 398 N 2.30 3.32 -0.07 -0.72 0.08 -1.26 -0.55 117.98 121.08 2bhq s PHE 398 Ca 0.63 1.11 0.05 0.00 0.12 0.00 0.00 56.93 58.84 2bhq s PHE 398 Cb 0.17 -3.02 -0.00 0.00 -0.57 0.00 0.00 43.02 39.59 2bhq s PHE 398 CO -0.07 -0.38 -0.21 0.42 -0.10 0.00 0.00 175.22 174.88 2bhq s ILE 399 N 2.73 1.81 0.46 0.64 1.01 -1.26 -0.46 121.20 126.14 2bhq s ILE 399 Ca 0.34 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 2bhq s ILE 399 Cb -0.15 -1.55 -0.08 0.00 0.01 0.00 0.00 42.46 40.68 2bhq s ILE 399 CO 0.08 0.51 1.07 0.00 0.00 0.00 0.00 174.94 176.60 2bhq s ALA 400 N 0.12 2.93 0.17 9.38 0.00 -0.90 -4.95 121.76 128.50 2bhq s ALA 400 Ca -0.09 0.72 -0.34 0.00 0.00 0.00 0.00 51.96 52.25 2bhq s ALA 400 Cb -0.15 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 2bhq s ALA 400 CO 0.05 -0.40 1.56 -2.30 0.00 0.00 0.00 175.76 174.67 2bhq n PRO 401 N -0.68 2.15 -5.12 0.00 -0.02 -1.26 -4.26 135.00 125.81 2bhq n PRO 401 Ca 0.08 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 2bhq n PRO 401 Cb 0.51 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 2bhq n PRO 401 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2bhq s THR 402 N 0.83 2.01 -0.04 3.45 2.01 0.36 -3.48 115.64 120.78 2bhq s THR 402 Ca 0.78 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2bhq s THR 402 Cb -0.67 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.17 2bhq s THR 402 CO 0.39 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.07 2bhq s VAL 403 N -0.67 0.47 -0.07 3.82 1.01 -0.71 -0.85 120.40 123.40 2bhq s VAL 403 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2bhq s VAL 403 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2bhq s VAL 403 CO 0.00 0.21 -0.18 -0.36 0.00 0.00 0.00 175.10 174.77 2bhq s PHE 404 N 0.97 2.62 0.43 5.22 0.40 -0.24 -1.39 117.98 125.99 2bhq s PHE 404 Ca -0.10 -0.50 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 2bhq s PHE 404 Cb -0.14 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 2bhq s PHE 404 CO -0.00 -0.07 0.10 0.95 0.70 0.00 0.00 175.22 176.90 2bhq s THR 405 N -0.25 2.01 -1.59 0.64 -4.23 0.20 -0.16 115.64 112.27 2bhq s THR 405 Ca 0.00 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 2bhq s THR 405 Cb -0.13 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2bhq s THR 405 CO 0.03 0.00 0.88 -0.62 -0.54 0.00 0.00 174.62 174.37 2bhq n GLU 406 N -1.15 -4.53 -2.93 3.99 -0.58 -1.08 -1.33 120.64 113.02 2bhq n GLU 406 Ca -0.05 0.51 -0.41 0.00 -0.42 0.00 0.00 57.16 56.79 2bhq n GLU 406 Cb 0.66 -5.29 -0.04 0.00 -0.57 0.00 0.00 31.44 26.19 2bhq n GLU 406 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2bhq s VAL 407 N -3.34 4.95 0.29 2.62 1.01 -0.94 -4.64 120.40 120.35 2bhq s VAL 407 Ca 0.65 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.95 2bhq s VAL 407 Cb -0.34 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 2bhq s VAL 407 CO 0.87 0.14 1.40 -2.84 0.00 0.00 0.00 175.10 174.67 2bhq s PRO 408 N 1.40 4.28 0.46 2.72 0.02 -1.26 -4.61 135.00 138.02 2bhq s PRO 408 Ca 0.40 2.30 0.24 0.00 0.02 0.00 0.00 61.00 63.96 2bhq s PRO 408 Cb -0.18 -3.08 1.27 0.00 0.02 0.00 0.00 34.50 32.52 2bhq s PRO 408 CO 0.17 -0.36 1.83 -1.35 -0.33 0.00 0.00 177.00 176.97 2bhq h PRO 409 N 4.32 0.23 -0.67 5.54 0.11 -1.95 -0.76 132.00 138.81 2bhq h PRO 409 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bhq h PRO 409 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bhq h PRO 409 CO 0.73 0.15 0.00 1.63 -0.21 0.00 0.00 178.00 180.30 2bhq n LYS 410 N -4.43 3.16 -1.92 1.05 5.02 -1.26 -4.58 118.16 115.20 2bhq n LYS 410 Ca 0.22 -2.63 -0.34 0.00 -2.02 0.00 0.00 58.31 53.54 2bhq n LYS 410 Cb 0.91 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 2bhq n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bhq s ALA 411 N -1.49 2.52 0.27 7.82 0.00 -0.29 -4.86 121.76 125.72 2bhq s ALA 411 Ca 0.48 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 2bhq s ALA 411 Cb 0.28 -3.36 0.45 0.00 0.00 0.00 0.00 23.12 20.49 2bhq s ALA 411 CO 0.27 -1.16 1.86 0.00 0.00 0.00 0.00 175.76 176.73 2bhq h ARG 412 N 0.48 1.03 0.00 0.00 3.08 -1.93 0.65 114.38 117.69 2bhq h ARG 412 Ca -0.48 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2bhq h ARG 412 Cb 1.26 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2bhq h ARG 412 CO 0.55 0.68 0.00 0.44 -1.07 0.00 0.00 179.97 180.57 2bhq n ILE 413 N -4.58 0.27 0.62 2.04 -5.35 -1.26 -0.70 119.36 110.40 2bhq n ILE 413 Ca 0.16 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.78 2bhq n ILE 413 Cb 0.25 -0.70 0.07 0.00 -1.74 0.00 0.00 39.64 37.51 2bhq n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bhq n ALA 414 N -1.25 2.47 0.00 -1.28 0.00 0.16 -4.65 120.51 115.97 2bhq n ALA 414 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2bhq n ALA 414 Cb 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2bhq n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bhq n GLN 415 N 0.86 1.72 -3.80 0.00 1.13 -0.84 -4.87 117.38 111.58 2bhq n GLN 415 Ca 0.09 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.79 2bhq n GLN 415 Cb 0.38 -0.87 -0.06 0.00 0.11 0.00 0.00 30.24 29.80 2bhq n GLN 415 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bhq s GLU 416 N -1.75 3.54 -0.38 -1.09 2.02 0.12 -4.76 118.70 116.41 2bhq s GLU 416 Ca 0.00 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 2bhq s GLU 416 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2bhq s GLU 416 CO 0.00 0.73 1.45 -2.00 0.02 0.00 0.00 175.26 175.45 2bhq s GLU 417 N -1.31 3.62 0.04 1.61 2.12 -1.26 -4.82 118.70 118.70 2bhq s GLU 417 Ca 0.20 1.08 -0.01 0.00 0.36 0.00 0.00 54.97 56.60 2bhq s GLU 417 Cb -0.13 -4.02 -0.27 0.00 0.26 0.00 0.00 34.13 29.97 2bhq s GLU 417 CO 0.10 -1.51 0.98 0.82 -0.54 0.00 0.00 175.26 175.11 2bhq h ILE 418 N 6.40 1.31 -5.90 -3.70 2.04 -1.94 -3.48 117.51 112.24 2bhq h ILE 418 Ca -0.28 -2.95 -0.40 0.00 1.00 0.00 0.00 64.86 62.22 2bhq h ILE 418 Cb 1.11 2.80 0.12 0.00 -0.74 0.00 0.00 36.82 40.11 2bhq h ILE 418 CO 1.07 0.84 -0.71 0.33 0.00 0.00 0.00 178.15 179.67 2bhq n PHE 419 N -3.43 -2.67 -4.13 1.37 -0.00 -1.26 -4.71 117.46 102.64 2bhq n PHE 419 Ca -0.12 0.98 -0.16 0.00 -0.00 0.00 0.00 57.45 58.16 2bhq n PHE 419 Cb 1.02 -4.87 -0.05 0.00 -0.00 0.00 0.00 39.48 35.58 2bhq n PHE 419 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2bhq s GLY 420 N -3.52 1.72 -1.55 7.13 0.00 -1.22 -4.31 107.32 105.57 2bhq s GLY 420 Ca 0.49 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2bhq s GLY 420 CO 0.75 -1.11 2.72 -1.55 0.00 0.00 0.00 173.10 173.91 2bhq n PRO 421 N -0.60 3.40 -3.89 2.90 -0.04 -0.33 -4.37 135.00 132.07 2bhq n PRO 421 Ca 0.02 -2.29 -0.28 0.00 -0.04 0.00 0.00 63.50 60.91 2bhq n PRO 421 Cb 0.62 -2.93 -0.16 0.00 -0.04 0.00 0.00 33.50 30.98 2bhq n PRO 421 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bhq s VAL 422 N 2.53 1.11 -0.15 0.52 1.01 -1.26 -0.49 120.40 123.67 2bhq s VAL 422 Ca 0.62 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2bhq s VAL 422 Cb 0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2bhq s VAL 422 CO -0.07 0.14 -0.02 -0.22 0.00 0.00 0.00 175.10 174.94 2bhq s LEU 423 N 1.63 3.38 -0.23 3.92 2.96 -0.03 -4.74 118.68 125.57 2bhq s LEU 423 Ca 0.01 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 2bhq s LEU 423 Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2bhq s LEU 423 CO -0.08 0.21 0.05 -0.44 -1.32 0.00 0.00 176.35 174.77 2bhq s SER 424 N 0.14 5.08 -0.23 3.68 0.01 -0.40 -1.08 113.70 120.90 2bhq s SER 424 Ca -0.00 -0.18 -0.10 0.00 1.31 0.00 0.00 55.95 56.98 2bhq s SER 424 Cb -0.13 -1.90 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 2bhq s SER 424 CO 0.02 0.01 0.15 -0.69 0.41 0.00 0.00 173.24 173.14 2bhq s VAL 425 N 1.33 5.28 -0.12 3.43 1.01 0.77 -0.56 120.40 131.54 2bhq s VAL 425 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2bhq s VAL 425 Cb -0.15 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2bhq s VAL 425 CO 0.03 0.36 -0.20 -0.63 0.00 0.00 0.00 175.10 174.66 2bhq s ILE 426 N 0.95 2.32 -0.15 2.22 1.01 0.26 -2.22 121.20 125.58 2bhq s ILE 426 Ca 0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 2bhq s ILE 426 Cb -0.13 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2bhq s ILE 426 CO 0.03 0.54 0.34 -0.60 0.00 0.00 0.00 174.94 175.26 2bhq s ARG 427 N 0.53 4.27 0.22 2.79 3.52 -1.26 -1.13 118.95 127.89 2bhq s ARG 427 Ca -0.13 0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.71 2bhq s ARG 427 Cb -0.17 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 2bhq s ARG 427 CO 0.05 0.20 -0.09 0.14 -0.81 0.00 0.00 175.30 174.79 2bhq s VAL 428 N 0.56 1.50 -0.02 7.11 -7.23 -0.09 -4.95 120.40 117.28 2bhq s VAL 428 Ca 0.19 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 2bhq s VAL 428 Cb -0.13 -2.17 -0.20 0.00 0.56 0.00 0.00 36.38 34.43 2bhq s VAL 428 CO 0.05 -0.50 1.27 0.50 -0.31 0.00 0.00 175.10 176.11 2bhq h LYS 429 N 2.51 -0.01 0.00 4.82 3.64 -1.94 -0.51 116.57 125.08 2bhq h LYS 429 Ca -0.38 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 2bhq h LYS 429 Cb 1.22 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2bhq h LYS 429 CO 0.64 0.47 -0.10 -0.40 -2.27 0.00 0.00 179.45 177.80 2bhq n ASP 430 N -4.86 -0.75 -0.25 4.20 5.68 -1.26 -3.86 116.55 115.44 2bhq n ASP 430 Ca -0.08 -2.10 -0.05 0.00 -0.50 0.00 0.00 54.79 52.06 2bhq n ASP 430 Cb 0.25 1.42 0.10 0.00 -1.14 0.00 0.00 41.12 41.75 2bhq n ASP 430 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2bhq h PHE 431 N 1.58 1.13 -0.59 2.11 3.57 -1.98 -0.92 116.94 121.84 2bhq h PHE 431 Ca -0.15 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.28 2bhq h PHE 431 Cb 0.68 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2bhq h PHE 431 CO 0.00 0.87 0.37 0.00 -2.23 0.00 0.00 178.31 177.32 2bhq h ALA 432 N 1.22 0.77 -0.19 2.41 0.00 -2.00 -0.66 119.26 120.80 2bhq h ALA 432 Ca 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2bhq h ALA 432 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bhq h ALA 432 CO -0.02 0.12 -0.33 1.49 0.00 0.00 0.00 179.25 180.51 2bhq h GLU 433 N 0.73 0.40 -0.61 0.00 4.81 -1.89 -1.81 114.58 116.21 2bhq h GLU 433 Ca 0.23 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2bhq h GLU 433 Cb -0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2bhq h GLU 433 CO -0.09 0.69 0.39 0.00 -0.73 0.00 0.00 179.01 179.26 2bhq h ALA 434 N 1.31 0.77 -0.56 2.92 0.00 -0.14 -0.61 119.26 122.95 2bhq h ALA 434 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2bhq h ALA 434 Cb 0.75 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2bhq h ALA 434 CO 0.06 0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 2bhq h LEU 435 N 0.83 1.02 -0.38 0.00 3.38 -0.83 0.25 115.31 119.57 2bhq h LEU 435 Ca 0.22 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2bhq h LEU 435 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2bhq h LEU 435 CO -0.04 1.11 0.24 -0.33 0.09 0.00 0.00 178.44 179.51 2bhq h GLU 436 N 0.93 0.51 -0.49 1.13 5.08 -0.91 -0.57 114.58 120.26 2bhq h GLU 436 Ca 0.15 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2bhq h GLU 436 Cb 0.63 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2bhq h GLU 436 CO 0.04 0.36 -0.16 0.28 -1.00 0.00 0.00 179.01 178.54 2bhq h VAL 437 N 0.51 1.27 -0.78 3.13 2.07 -0.97 -1.88 116.25 119.59 2bhq h VAL 437 Ca 0.14 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2bhq h VAL 437 Cb -0.03 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2bhq h VAL 437 CO -0.03 0.45 0.50 0.00 0.02 0.00 0.00 177.57 178.51 2bhq h ALA 438 N 0.98 0.99 0.00 1.67 0.00 -0.54 -2.75 119.26 119.62 2bhq h ALA 438 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bhq h ALA 438 Cb 0.71 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2bhq h ALA 438 CO 0.05 0.43 -0.09 -0.91 0.00 0.00 0.00 179.25 178.73 2bhq h ASN 439 N 1.06 0.00 -0.21 0.00 2.35 -0.98 -3.40 115.58 114.39 2bhq h ASN 439 Ca 0.28 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.33 2bhq h ASN 439 Cb -0.09 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2bhq h ASN 439 CO -0.06 0.09 3.16 -0.67 -1.65 0.00 0.00 177.43 178.31 2bhq n ASP 440 N -3.13 5.46 -3.94 5.81 2.03 -0.72 -4.81 116.55 117.26 2bhq n ASP 440 Ca 0.03 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.43 2bhq n ASP 440 Cb 0.53 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 2bhq n ASP 440 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bhq s THR 441 N 2.41 0.06 -1.23 5.18 -4.23 -1.26 -4.96 115.64 111.60 2bhq s THR 441 Ca 0.52 -1.32 0.24 0.00 -1.18 0.00 0.00 61.69 59.95 2bhq s THR 441 Cb 0.15 -1.82 0.31 0.00 1.34 0.00 0.00 72.50 72.48 2bhq s THR 441 CO -0.07 -0.27 1.77 -2.65 -0.54 0.00 0.00 174.62 172.86 2bhq n PRO 442 N -0.23 0.19 -3.20 3.99 -0.02 -1.26 -4.87 135.00 129.59 2bhq n PRO 442 Ca -0.07 0.08 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 2bhq n PRO 442 Cb 0.63 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.66 2bhq n PRO 442 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2bhq s TYR 443 N -2.77 1.47 -0.34 6.00 1.51 -1.26 -0.98 117.35 120.99 2bhq s TYR 443 Ca 0.17 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2bhq s TYR 443 Cb 0.16 -2.16 0.19 0.00 -0.11 0.00 0.00 41.96 40.04 2bhq s TYR 443 CO 0.39 -1.01 1.19 0.41 -1.11 0.00 0.00 175.55 175.42 2bhq n GLY 444 N -2.14 -0.46 0.00 0.71 0.00 -1.19 -4.78 105.19 97.33 2bhq n GLY 444 Ca 0.12 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2bhq n GLY 444 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bhq n LEU 445 N -0.25 0.58 -4.54 0.99 7.94 -1.26 -0.80 117.00 119.67 2bhq n LEU 445 Ca -0.16 0.07 -0.24 0.00 -1.11 0.00 0.00 56.01 54.56 2bhq n LEU 445 Cb 0.71 -0.21 -0.09 0.00 0.53 0.00 0.00 43.42 44.36 2bhq n LEU 445 CO -0.10 -0.21 -0.41 0.42 -1.11 0.00 0.00 177.39 175.99 2bhq s THR 446 N -0.42 2.60 0.04 1.96 -4.23 -1.26 -0.90 115.64 113.43 2bhq s THR 446 Ca 0.00 -2.22 -0.27 0.00 -1.18 0.00 0.00 61.69 58.02 2bhq s THR 446 Cb 0.00 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.40 2bhq s THR 446 CO 0.00 -0.32 0.80 -0.83 -0.54 0.00 0.00 174.62 173.73 2bhq s GLY 447 N -3.59 -0.51 0.08 3.99 0.00 -0.60 -3.97 107.32 102.71 2bhq s GLY 447 Ca 0.32 0.91 -0.10 0.00 0.00 0.00 0.00 44.72 45.85 2bhq s GLY 447 CO 0.17 0.33 0.21 -0.32 0.00 0.00 0.00 173.10 173.49 2bhq s GLY 448 N -2.47 0.04 -0.03 0.20 0.00 -0.41 -1.19 107.32 103.47 2bhq s GLY 448 Ca 0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.29 2bhq s GLY 448 CO -0.09 -0.65 0.03 0.14 0.00 0.00 0.00 173.10 172.53 2bhq s VAL 449 N -3.44 -0.00 -0.25 1.40 1.01 -0.51 -0.17 120.40 118.43 2bhq s VAL 449 Ca 0.02 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2bhq s VAL 449 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 2bhq s VAL 449 CO -0.09 0.12 0.03 -0.31 0.00 0.00 0.00 175.10 174.86 2bhq s TYR 450 N 1.30 3.06 -0.17 5.22 1.51 0.23 -0.83 117.35 127.67 2bhq s TYR 450 Ca -0.06 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 54.90 2bhq s TYR 450 Cb -0.13 -2.19 0.14 0.00 -0.11 0.00 0.00 41.96 39.66 2bhq s TYR 450 CO -0.03 -0.50 1.05 0.45 -1.11 0.00 0.00 175.55 175.42 2bhq s SER 451 N 1.53 -0.31 -0.00 2.29 0.15 -1.26 -2.52 113.70 113.57 2bhq s SER 451 Ca 0.05 0.29 0.19 0.00 0.70 0.00 0.00 55.95 57.18 2bhq s SER 451 Cb -0.15 0.26 -0.22 0.00 -1.71 0.00 0.00 66.02 64.19 2bhq s SER 451 CO 0.01 -0.31 0.77 0.54 1.20 0.00 0.00 173.24 175.44 2bhq n ARG 452 N 0.57 0.63 -2.48 5.44 1.74 -1.24 -4.85 116.66 116.47 2bhq n ARG 452 Ca -0.08 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.55 2bhq n ARG 452 Cb 0.58 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.58 2bhq n ARG 452 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bhq s LYS 453 N -2.90 3.72 0.25 5.56 2.20 -1.26 -4.90 119.74 122.41 2bhq s LYS 453 Ca 0.05 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.48 2bhq s LYS 453 Cb 0.14 -3.94 0.48 0.00 -1.51 0.00 0.00 37.83 33.01 2bhq s LYS 453 CO 0.80 -1.38 1.77 0.00 -0.36 0.00 0.00 175.35 176.18 2bhq h ARG 454 N 9.73 0.63 -0.44 4.03 2.47 -2.00 -1.37 114.38 127.43 2bhq h ARG 454 Ca -0.25 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 2bhq h ARG 454 Cb 1.08 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 2bhq h ARG 454 CO 1.09 0.42 0.22 0.93 0.56 0.00 0.00 179.97 183.19 2bhq h GLU 455 N 0.65 0.61 -0.14 0.04 3.07 -1.99 -0.30 114.58 116.51 2bhq h GLU 455 Ca 0.44 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 59.08 2bhq h GLU 455 Cb 0.57 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2bhq h GLU 455 CO -0.33 0.47 -0.52 0.45 -1.40 0.00 0.00 179.01 177.68 2bhq h HIS 456 N 0.61 0.80 -0.08 4.33 3.86 -1.68 -1.72 115.15 121.28 2bhq h HIS 456 Ca 0.16 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2bhq h HIS 456 Cb 0.05 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 2bhq h HIS 456 CO 0.00 1.11 0.04 -0.07 0.86 0.00 0.00 177.93 179.88 2bhq h LEU 457 N 0.25 0.11 -1.26 2.43 3.38 -1.01 -0.71 115.31 118.51 2bhq h LEU 457 Ca -0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2bhq h LEU 457 Cb 1.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2bhq h LEU 457 CO 0.11 0.20 -0.37 -0.33 0.09 0.00 0.00 178.44 178.14 2bhq h GLU 458 N 0.01 0.00 -0.31 1.13 4.39 -1.13 -0.21 114.58 118.47 2bhq h GLU 458 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2bhq h GLU 458 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2bhq h GLU 458 CO -0.00 0.37 0.11 2.35 -1.16 0.00 0.00 179.01 180.67 2bhq h TRP 459 N 0.00 0.48 -0.40 4.33 2.91 -1.03 -2.55 115.95 119.68 2bhq h TRP 459 Ca -0.00 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 2bhq h TRP 459 Cb 0.67 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 2bhq h TRP 459 CO 0.00 0.47 -0.07 0.00 -1.03 0.00 0.00 178.44 177.81 2bhq h ALA 460 N 0.95 1.13 -0.63 2.65 0.00 -0.50 0.69 119.26 123.55 2bhq h ALA 460 Ca 0.10 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2bhq h ALA 460 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2bhq h ALA 460 CO -0.01 0.55 0.42 -0.09 0.00 0.00 0.00 179.25 180.12 2bhq h ARG 461 N 0.63 0.59 0.00 0.00 2.43 -0.73 0.18 114.38 117.48 2bhq h ARG 461 Ca 0.12 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.00 2bhq h ARG 461 Cb 0.50 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2bhq h ARG 461 CO 0.03 0.39 -1.64 0.54 -1.51 0.00 0.00 179.97 177.78 2bhq n ARG 462 N -4.48 0.63 0.00 0.20 1.74 -0.85 -4.70 116.66 109.20 2bhq n ARG 462 Ca 0.09 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2bhq n ARG 462 Cb 0.24 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 2bhq n ARG 462 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bhq n GLU 463 N -2.98 2.96 -2.72 5.56 -0.58 0.18 -4.89 120.64 118.17 2bhq n GLU 463 Ca -0.15 -0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.01 2bhq n GLU 463 Cb 0.98 -0.60 -0.03 0.00 -0.57 0.00 0.00 31.44 31.22 2bhq n GLU 463 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2bhq s PHE 464 N -0.47 2.56 -1.21 -0.32 2.19 0.02 -4.92 117.98 115.83 2bhq s PHE 464 Ca 0.00 -0.49 -0.19 0.00 0.33 0.00 0.00 56.93 56.58 2bhq s PHE 464 Cb 0.00 -4.46 -0.02 0.00 -1.31 0.00 0.00 43.02 37.23 2bhq s PHE 464 CO 0.00 -1.82 1.97 1.58 1.83 0.00 0.00 175.22 178.78 2bhq n HIS 465 N 8.33 3.33 -4.08 10.12 -0.00 -1.26 -4.89 115.22 126.77 2bhq n HIS 465 Ca 0.06 -2.39 -0.13 0.00 -0.00 0.00 0.00 57.72 55.26 2bhq n HIS 465 Cb 0.48 -2.40 -0.11 0.00 -0.00 0.00 0.00 29.99 27.95 2bhq n HIS 465 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2bhq s VAL 466 N 5.36 0.58 0.27 3.57 -7.23 -1.26 -4.62 120.40 117.07 2bhq s VAL 466 Ca 0.55 -1.16 0.18 0.00 -1.81 0.00 0.00 61.98 59.75 2bhq s VAL 466 Cb 0.09 -0.72 0.14 0.00 0.56 0.00 0.00 36.38 36.45 2bhq s VAL 466 CO 0.05 -0.42 1.81 1.23 -0.31 0.00 0.00 175.10 177.46 2bhq h GLY 467 N 4.36 0.00 -7.28 2.32 0.00 -0.65 -3.40 103.07 98.42 2bhq h GLY 467 Ca -0.36 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.41 2bhq h GLY 467 CO 0.43 0.00 -0.76 -1.31 0.00 0.00 0.00 176.54 174.89 2bhq s ASN 468 N -6.52 3.51 -0.07 0.19 -0.87 -0.08 -4.78 114.94 106.31 2bhq s ASN 468 Ca -0.01 -1.21 0.02 0.00 -1.57 0.00 0.00 52.86 50.09 2bhq s ASN 468 Cb 0.12 -0.79 -0.02 0.00 -0.02 0.00 0.00 41.25 40.54 2bhq s ASN 468 CO 0.68 -0.34 -0.12 -0.22 -2.57 0.00 0.00 177.10 174.54 2bhq s LEU 469 N 1.69 2.87 -0.03 0.60 2.96 -1.26 -1.56 118.68 123.96 2bhq s LEU 469 Ca 0.03 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2bhq s LEU 469 Cb -0.17 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 2bhq s LEU 469 CO -0.15 0.31 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.76 2bhq s TYR 470 N -0.49 1.20 -0.18 5.38 1.51 -0.33 -4.98 117.35 119.47 2bhq s TYR 470 Ca 0.07 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2bhq s TYR 470 Cb -0.12 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2bhq s TYR 470 CO 0.02 -0.09 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.23 2bhq s PHE 471 N 0.00 2.92 -1.41 2.71 0.08 -1.26 -1.43 117.98 119.59 2bhq s PHE 471 Ca -0.01 -0.73 -0.10 0.00 0.12 0.00 0.00 56.93 56.21 2bhq s PHE 471 Cb -0.08 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2bhq s PHE 471 CO 0.01 -0.34 1.11 0.09 -0.10 0.00 0.00 175.22 175.99 2bhq n ASN 472 N 4.12 -6.02 -3.77 1.36 3.02 -0.01 -4.97 115.26 108.99 2bhq n ASN 472 Ca -0.18 -0.58 -0.04 0.00 -0.03 0.00 0.00 54.58 53.74 2bhq n ASN 472 Cb 0.52 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 34.92 2bhq n ASN 472 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bhq s ARG 473 N -6.36 1.31 0.75 3.52 1.70 -1.26 -5.04 118.95 113.56 2bhq s ARG 473 Ca 0.60 -0.72 -0.15 0.00 -0.47 0.00 0.00 55.73 54.99 2bhq s ARG 473 Cb -0.27 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2bhq s ARG 473 CO 0.74 -0.60 1.16 0.36 -1.08 0.00 0.00 175.30 175.87 2bhq n LYS 474 N -0.46 0.49 -0.26 3.89 2.85 -1.26 -4.87 118.16 118.53 2bhq n LYS 474 Ca -0.06 0.23 0.11 0.00 -1.05 0.00 0.00 58.31 57.54 2bhq n LYS 474 Cb 0.60 -2.40 0.25 0.00 -0.65 0.00 0.00 35.03 32.83 2bhq n LYS 474 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2bhq n ILE 475 N -2.76 0.78 -3.93 0.58 -5.35 -1.26 -4.88 119.36 102.54 2bhq n ILE 475 Ca 0.14 -0.89 -0.24 0.00 -0.27 0.00 0.00 62.75 61.49 2bhq n ILE 475 Cb 0.50 0.70 -0.05 0.00 -1.74 0.00 0.00 39.64 39.05 2bhq n ILE 475 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bhq s THR 476 N -1.17 2.26 -0.21 7.28 -4.23 -1.26 -4.80 115.64 113.51 2bhq s THR 476 Ca 0.40 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2bhq s THR 476 Cb 0.22 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2bhq s THR 476 CO 0.29 0.00 0.05 0.61 -0.54 0.00 0.00 174.62 175.03 2bhq n GLY 477 N -1.43 0.42 3.65 3.99 0.00 -1.26 -4.98 105.19 105.58 2bhq n GLY 477 Ca -0.00 -0.71 -0.47 0.00 0.00 0.00 0.00 46.02 44.84 2bhq n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq n ALA 478 N -1.68 0.75 -2.65 4.61 0.00 -1.26 -4.94 120.51 115.35 2bhq n ALA 478 Ca -0.02 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2bhq n ALA 478 Cb 0.52 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 2bhq n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bhq s LEU 479 N 0.65 4.36 0.24 0.00 1.43 -1.26 -4.96 118.68 119.14 2bhq s LEU 479 Ca 0.77 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 2bhq s LEU 479 Cb -0.74 -2.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.87 2bhq s LEU 479 CO 0.43 0.22 1.34 0.52 0.23 0.00 0.00 176.35 179.08 2bhq n VAL 480 N 2.66 1.11 0.00 -1.59 0.31 -1.26 -1.32 118.33 118.24 2bhq n VAL 480 Ca -0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2bhq n VAL 480 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2bhq n VAL 480 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bhq n GLY 481 N 1.94 1.64 0.09 2.92 0.00 -0.10 -4.66 105.19 107.01 2bhq n GLY 481 Ca 0.11 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2bhq n GLY 481 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bhq h VAL 482 N 0.00 1.63 -3.10 1.61 2.07 -1.70 -3.43 116.25 113.34 2bhq h VAL 482 Ca 0.00 -2.20 -0.62 0.00 0.82 0.00 0.00 66.70 64.70 2bhq h VAL 482 Cb 0.00 3.08 -0.41 0.00 -1.52 0.00 0.00 31.29 32.44 2bhq h VAL 482 CO 0.00 0.59 -0.69 -1.10 0.02 0.00 0.00 177.57 176.39 2bhq s GLN 483 N -2.67 1.65 -0.06 1.57 1.11 -0.43 -5.00 119.66 115.83 2bhq s GLN 483 Ca -0.17 -2.39 -0.39 0.00 0.01 0.00 0.00 55.36 52.42 2bhq s GLN 483 Cb -0.01 -2.76 -0.17 0.00 -1.01 0.00 0.00 33.01 29.06 2bhq s GLN 483 CO 0.74 -1.17 1.42 -2.30 0.01 0.00 0.00 175.29 173.99 2bhq n PRO 484 N 3.16 0.90 -3.87 2.91 -0.02 -1.26 -4.51 135.00 132.31 2bhq n PRO 484 Ca 0.10 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 2bhq n PRO 484 Cb 0.34 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 2bhq n PRO 484 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bhq s PHE 485 N 1.37 3.12 0.00 6.00 5.36 -0.57 -4.86 117.98 128.40 2bhq s PHE 485 Ca 0.90 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2bhq s PHE 485 Cb -1.07 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 2bhq s PHE 485 CO 0.55 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 174.53 2bhq n GLY 486 N 4.47 2.60 0.00 13.12 0.00 -1.26 -0.97 105.19 123.15 2bhq n GLY 486 Ca -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2bhq n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 487 N -0.67 4.64 3.73 -0.02 0.00 -1.26 -4.15 105.19 107.46 2bhq n GLY 487 Ca 0.00 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 2bhq n GLY 487 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bhq s PHE 488 N -0.00 2.25 0.00 1.61 2.99 0.02 -3.22 117.98 121.63 2bhq s PHE 488 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 56.93 56.19 2bhq s PHE 488 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 43.02 41.21 2bhq s PHE 488 CO 0.00 0.19 0.00 1.63 -0.00 0.00 0.00 175.22 177.04 2bhq n LYS 489 N -1.24 0.00 0.00 0.44 5.02 -1.26 -1.59 118.16 119.53 2bhq n LYS 489 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2bhq n LYS 489 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 2bhq n LYS 489 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bhq n LEU 490 N 0.00 0.37 -0.18 -0.35 4.77 -0.15 -2.51 117.00 118.95 2bhq n LEU 490 Ca 0.00 -0.19 0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2bhq n LEU 490 Cb 0.00 -0.19 0.55 0.00 -2.33 0.00 0.00 43.42 41.45 2bhq n LEU 490 CO 0.00 0.09 0.82 -1.20 -1.33 0.00 0.00 177.39 175.77 2bhq n SER 491 N -0.27 0.71 0.00 -1.43 7.64 -0.62 -4.60 113.62 115.06 2bhq n SER 491 Ca 0.00 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2bhq n SER 491 Cb 0.09 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2bhq n SER 491 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bhq n GLY 492 N 1.28 0.82 0.75 0.23 0.00 -1.04 -0.97 105.19 106.26 2bhq n GLY 492 Ca 0.15 -2.01 0.09 0.00 0.00 0.00 0.00 46.02 44.25 2bhq n GLY 492 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bhq n THR 493 N 6.58 0.43 -2.91 2.61 -2.24 -0.30 -4.48 114.28 113.97 2bhq n THR 493 Ca 0.00 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 2bhq n THR 493 Cb 0.00 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2bhq n THR 493 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bhq n ASN 494 N 0.69 -4.93 -4.54 3.42 2.85 -1.20 -4.94 115.26 106.62 2bhq n ASN 494 Ca 0.16 -0.25 -0.41 0.00 -0.11 0.00 0.00 54.58 53.97 2bhq n ASN 494 Cb 0.38 -3.73 -0.03 0.00 1.24 0.00 0.00 39.78 37.64 2bhq n ASN 494 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bhq s ALA 495 N -3.05 2.81 -0.56 5.20 0.00 -1.26 -4.90 121.76 120.00 2bhq s ALA 495 Ca 0.26 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 2bhq s ALA 495 Cb -0.12 -4.20 -0.00 0.00 0.00 0.00 0.00 23.12 18.80 2bhq s ALA 495 CO 0.32 -3.18 1.65 0.15 0.00 0.00 0.00 175.76 174.70 2bhq s LYS 496 N 5.50 3.02 0.56 0.00 -0.14 -1.26 -4.58 119.74 122.84 2bhq s LYS 496 Ca 0.34 0.63 -0.18 0.00 -1.36 0.00 0.00 55.97 55.41 2bhq s LYS 496 Cb -0.09 -4.25 -0.05 0.00 -1.68 0.00 0.00 37.83 31.76 2bhq s LYS 496 CO 0.15 -2.27 1.07 0.95 -0.76 0.00 0.00 175.35 174.49 2bhq s THR 497 N 7.43 3.66 -1.14 2.17 -4.23 -0.14 -3.48 115.64 119.91 2bhq s THR 497 Ca 0.62 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 2bhq s THR 497 Cb -0.13 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.34 2bhq s THR 497 CO 0.24 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2bhq n GLY 498 N -0.54 -0.17 3.02 3.99 0.00 -1.26 -1.51 105.19 108.71 2bhq n GLY 498 Ca 0.09 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2bhq n GLY 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq s ALA 499 N -2.67 0.28 0.28 4.61 0.00 -1.23 -0.93 121.76 122.12 2bhq s ALA 499 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2bhq s ALA 499 Cb 0.00 0.18 0.58 0.00 0.00 0.00 0.00 23.12 23.88 2bhq s ALA 499 CO 0.00 -0.22 1.82 -0.07 0.00 0.00 0.00 175.76 177.29 2bhq h LEU 500 N 4.16 0.87 -2.50 0.00 3.38 -1.95 -1.67 115.31 117.60 2bhq h LEU 500 Ca -0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bhq h LEU 500 Cb 1.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2bhq h LEU 500 CO 0.49 0.43 0.02 0.44 0.09 0.00 0.00 178.44 179.91 2bhq h ASP 501 N 0.92 0.00 -0.65 -0.43 5.19 -1.97 -3.01 116.42 116.48 2bhq h ASP 501 Ca 0.51 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.95 2bhq h ASP 501 Cb 0.58 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 2bhq h ASP 501 CO -0.29 0.00 0.39 0.22 -3.12 0.00 0.00 179.24 176.44 2bhq h TYR 502 N 0.00 0.73 0.00 4.55 3.20 -1.40 -2.74 116.97 121.31 2bhq h TYR 502 Ca 0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2bhq h TYR 502 Cb 0.04 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2bhq h TYR 502 CO 0.00 0.41 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.58 2bhq h LEU 503 N 0.76 0.00 -2.03 2.82 3.38 -1.71 -2.66 115.31 115.88 2bhq h LEU 503 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2bhq h LEU 503 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2bhq h LEU 503 CO -0.12 0.27 -0.05 -0.09 0.09 0.00 0.00 178.44 178.54 2bhq h ARG 504 N 0.00 0.00 0.00 1.13 9.65 -1.64 -1.56 114.38 121.97 2bhq h ARG 504 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2bhq h ARG 504 Cb 0.55 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2bhq h ARG 504 CO 0.04 0.05 -0.03 -0.07 2.80 0.00 0.00 179.97 182.75 2bhq h LEU 505 N 0.00 0.00 -3.46 3.80 3.38 -1.55 -2.64 115.31 114.84 2bhq h LEU 505 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2bhq h LEU 505 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 2bhq h LEU 505 CO 0.01 0.03 0.09 0.49 0.09 0.00 0.00 178.44 179.14 2bhq n PHE 506 N -3.27 1.51 -4.14 1.13 3.01 -0.59 -4.97 117.46 110.15 2bhq n PHE 506 Ca -0.02 -1.25 -0.12 0.00 1.01 0.00 0.00 57.45 57.07 2bhq n PHE 506 Cb 0.18 -0.51 -0.11 0.00 -0.01 0.00 0.00 39.48 39.04 2bhq n PHE 506 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2bhq s LEU 507 N -3.04 2.40 0.17 4.37 1.43 -1.00 -3.39 118.68 119.63 2bhq s LEU 507 Ca 0.47 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2bhq s LEU 507 Cb 0.40 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.40 2bhq s LEU 507 CO 0.07 -0.32 -0.12 -1.83 0.23 0.00 0.00 176.35 174.38 2bhq s GLU 508 N -2.81 1.19 -0.03 1.70 -1.05 -0.17 -4.93 118.70 112.59 2bhq s GLU 508 Ca 0.03 -1.50 0.02 0.00 -0.15 0.00 0.00 54.97 53.37 2bhq s GLU 508 Cb -0.02 -0.88 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 2bhq s GLU 508 CO -0.02 0.13 -0.07 1.41 0.95 0.00 0.00 175.26 177.66 2bhq s MET 509 N -3.63 2.63 -0.02 -4.83 -2.45 -1.26 -1.13 119.30 108.62 2bhq s MET 509 Ca 0.19 -0.64 0.07 0.00 -1.25 0.00 0.00 55.69 54.06 2bhq s MET 509 Cb 0.00 -2.53 -0.02 0.00 1.25 0.00 0.00 34.83 33.54 2bhq s MET 509 CO 0.04 0.63 -0.24 0.21 1.05 0.00 0.00 175.02 176.71 2bhq s LYS 510 N -1.09 1.91 -0.16 4.11 2.20 -0.23 -4.98 119.74 121.51 2bhq s LYS 510 Ca 0.14 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2bhq s LYS 510 Cb -0.11 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2bhq s LYS 510 CO 0.04 0.51 -0.19 0.00 -0.36 0.00 0.00 175.35 175.35 2bhq s ALA 511 N -0.57 2.17 -0.12 3.13 0.00 -1.26 -0.99 121.76 124.12 2bhq s ALA 511 Ca 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2bhq s ALA 511 Cb -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.97 2bhq s ALA 511 CO -0.01 -0.23 -0.18 0.08 0.00 0.00 0.00 175.76 175.42 2bhq s VAL 512 N 1.14 1.72 -0.05 0.00 1.01 0.54 -4.99 120.40 119.77 2bhq s VAL 512 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2bhq s VAL 512 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2bhq s VAL 512 CO -0.08 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.31 2bhq s ALA 513 N 0.88 2.45 -0.13 5.51 0.00 -1.26 -1.03 121.76 128.17 2bhq s ALA 513 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2bhq s ALA 513 Cb -0.15 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2bhq s ALA 513 CO -0.01 0.50 -0.13 -2.00 0.00 0.00 0.00 175.76 174.12 2bhq s GLU 514 N -0.52 2.09 -0.33 0.00 2.12 -0.13 -4.97 118.70 116.96 2bhq s GLU 514 Ca 0.07 -0.48 -0.19 0.00 0.36 0.00 0.00 54.97 54.73 2bhq s GLU 514 Cb -0.11 -1.92 -0.01 0.00 0.26 0.00 0.00 34.13 32.35 2bhq s GLU 514 CO 0.01 -0.20 0.54 0.50 -0.54 0.00 0.00 175.26 175.57 2bhq s ARG 515 N 1.41 3.76 0.00 4.30 6.06 -1.26 -1.30 118.95 131.92 2bhq s ARG 515 Ca 0.02 0.02 0.24 0.00 -2.50 0.00 0.00 55.73 53.51 2bhq s ARG 515 Cb -0.13 -3.77 1.43 0.00 0.06 0.00 0.00 34.95 32.54 2bhq s ARG 515 CO -0.08 -0.59 1.79 1.19 -2.50 0.00 0.00 175.30 175.12