#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bws s GLN 4 N 0.00 4.44 -0.52 1.64 -1.52 -0.68 -4.66 119.66 118.37 1bws s GLN 4 Ca 0.00 2.08 -0.17 0.00 -1.95 0.00 0.00 55.36 55.32 1bws s GLN 4 Cb 0.00 -3.12 0.09 0.00 -0.22 0.00 0.00 33.01 29.76 1bws s GLN 4 CO 0.00 -0.08 0.54 1.03 -0.25 0.00 0.00 175.29 176.53 1bws s ARG 5 N -1.53 3.03 -0.32 2.91 0.52 -1.26 0.70 118.95 123.00 1bws s ARG 5 Ca 0.48 -1.29 -0.10 0.00 -0.52 0.00 0.00 55.73 54.31 1bws s ARG 5 Cb -0.37 -4.18 0.00 0.00 0.52 0.00 0.00 34.95 30.92 1bws s ARG 5 CO 0.48 -1.23 0.16 0.08 0.02 0.00 0.00 175.30 174.80 1bws s VAL 6 N 2.10 4.52 -0.33 3.52 1.01 0.36 0.05 120.40 131.63 1bws s VAL 6 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1bws s VAL 6 Cb -0.24 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1bws s VAL 6 CO 0.07 0.00 0.29 0.12 0.00 0.00 0.00 175.10 175.58 1bws s PHE 7 N 1.59 3.22 -0.48 5.22 5.36 -0.07 0.50 117.98 133.32 1bws s PHE 7 Ca 0.04 -0.09 -0.11 0.00 -0.96 0.00 0.00 56.93 55.80 1bws s PHE 7 Cb -0.18 -2.55 0.12 0.00 -0.34 0.00 0.00 43.02 40.07 1bws s PHE 7 CO 0.06 -0.37 0.38 0.42 -1.46 0.00 0.00 175.22 174.25 1bws s ILE 8 N 1.85 4.53 0.43 3.12 1.01 -1.20 -0.62 121.20 130.32 1bws s ILE 8 Ca 0.09 -1.64 -0.24 0.00 0.00 0.00 0.00 60.65 58.86 1bws s ILE 8 Cb -0.17 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1bws s ILE 8 CO 0.11 -0.76 1.18 0.00 0.00 0.00 0.00 174.94 175.46 1bws s ALA 9 N 1.45 3.08 -1.38 9.38 0.00 -0.49 -3.36 121.76 130.43 1bws s ALA 9 Ca 0.05 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 1bws s ALA 9 Cb -0.27 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1bws s ALA 9 CO 0.01 -0.61 0.97 0.41 0.00 0.00 0.00 175.76 176.54 1bws n GLY 10 N 0.56 -0.44 0.00 0.00 0.00 -1.26 -2.78 105.19 101.27 1bws n GLY 10 Ca 0.06 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1bws n GLY 10 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bws n HIS 11 N -4.58 0.00 0.94 1.61 -0.00 -1.22 -1.50 115.22 110.47 1bws n HIS 11 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.72 1bws n HIS 11 Cb 0.59 -0.39 0.03 0.00 -0.00 0.00 0.00 29.99 30.23 1bws n HIS 11 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1bws n ARG 12 N -1.39 1.64 -1.06 -1.40 1.74 -1.26 -1.94 116.66 112.99 1bws n ARG 12 Ca 0.03 -1.32 -0.30 0.00 -0.77 0.00 0.00 57.85 55.50 1bws n ARG 12 Cb 0.08 -1.43 0.24 0.00 -1.02 0.00 0.00 32.46 30.33 1bws n ARG 12 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1bws s GLY 13 N -2.17 1.58 0.04 -0.13 0.00 -0.56 -4.65 107.32 101.43 1bws s GLY 13 Ca 0.21 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1bws s GLY 13 CO 0.44 -0.05 1.41 1.98 0.00 0.00 0.00 173.10 176.87 1bws h MET 14 N -2.61 -0.75 -0.27 2.90 4.05 -1.88 -0.19 114.93 116.19 1bws h MET 14 Ca -0.45 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.02 1bws h MET 14 Cb 1.29 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 1bws h MET 14 CO 0.34 -0.45 0.14 0.28 0.23 0.00 0.00 176.91 177.45 1bws h VAL 15 N -0.93 1.13 -0.48 -5.77 2.07 -1.92 -2.74 116.25 107.60 1bws h VAL 15 Ca -0.08 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1bws h VAL 15 Cb 0.65 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1bws h VAL 15 CO 0.13 0.13 0.26 1.23 0.02 0.00 0.00 177.57 179.34 1bws h GLY 16 N 0.31 0.72 1.35 2.17 0.00 -1.71 -1.97 103.07 103.94 1bws h GLY 16 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1bws h GLY 16 CO -0.01 0.32 0.25 1.48 0.00 0.00 0.00 176.54 178.57 1bws h SER 17 N 0.64 0.77 -0.53 0.19 4.64 -0.34 -0.32 113.55 118.59 1bws h SER 17 Ca 0.17 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1bws h SER 17 Cb 0.06 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1bws h SER 17 CO -0.03 0.68 0.08 0.00 -0.87 0.00 0.00 176.83 176.69 1bws h ALA 18 N 1.44 1.05 -0.37 5.18 0.00 -1.06 -1.47 119.26 124.03 1bws h ALA 18 Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1bws h ALA 18 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1bws h ALA 18 CO -0.02 0.61 0.05 0.82 0.00 0.00 0.00 179.25 180.71 1bws h ILE 19 N 0.88 1.24 -0.90 0.00 2.04 -0.83 -2.90 117.51 117.04 1bws h ILE 19 Ca 0.18 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1bws h ILE 19 Cb 0.41 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1bws h ILE 19 CO 0.01 0.29 0.58 -0.09 0.00 0.00 0.00 178.15 178.95 1bws h ARG 20 N 0.46 0.94 -0.34 2.37 1.12 -0.66 0.50 114.38 118.76 1bws h ARG 20 Ca 0.11 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1bws h ARG 20 Cb 0.37 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 1bws h ARG 20 CO 0.01 0.62 0.15 0.00 -3.11 0.00 0.00 179.97 177.64 1bws h ARG 21 N 0.97 0.51 -0.17 0.20 3.08 -1.09 0.14 114.38 118.01 1bws h ARG 21 Ca 0.40 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 1bws h ARG 21 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1bws h ARG 21 CO -0.16 0.49 -0.36 1.96 -1.07 0.00 0.00 179.97 180.82 1bws h GLN 22 N 0.41 0.55 -0.78 0.04 4.20 -1.14 -3.21 115.11 115.18 1bws h GLN 22 Ca 0.12 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.48 1bws h GLN 22 Cb 0.16 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1bws h GLN 22 CO -0.01 0.97 0.52 -0.07 -0.67 0.00 0.00 178.83 179.57 1bws h LEU 23 N 0.19 0.89 -1.50 1.46 3.38 -0.92 -2.41 115.31 116.40 1bws h LEU 23 Ca 0.00 -0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.28 1bws h LEU 23 Cb 0.96 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1bws h LEU 23 CO 0.08 0.64 0.77 -0.08 0.09 0.00 0.00 178.44 179.94 1bws h GLU 24 N 1.05 0.23 -0.88 1.13 4.81 -0.72 0.42 114.58 120.62 1bws h GLU 24 Ca 0.29 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1bws h GLU 24 Cb -0.11 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1bws h GLU 24 CO -0.07 0.15 0.03 1.04 -0.73 0.00 0.00 179.01 179.43 1bws n GLN 25 N -4.55 2.20 -4.25 1.92 6.02 -0.91 -4.80 117.38 113.01 1bws n GLN 25 Ca 0.29 -1.05 -0.34 0.00 -0.01 0.00 0.00 57.00 55.89 1bws n GLN 25 Cb 1.12 -1.71 -0.15 0.00 1.02 0.00 0.00 30.24 30.52 1bws n GLN 25 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bws s ARG 26 N -1.53 3.28 0.00 -1.09 1.81 0.15 -4.96 118.95 116.61 1bws s ARG 26 Ca 0.18 -0.70 0.27 0.00 -1.72 0.00 0.00 55.73 53.76 1bws s ARG 26 Cb 0.14 -2.77 0.80 0.00 -0.45 0.00 0.00 34.95 32.67 1bws s ARG 26 CO 0.05 -0.07 1.62 0.41 -0.68 0.00 0.00 175.30 176.63 1bws n GLY 27 N 4.34 -1.29 0.95 -3.53 0.00 -1.26 -3.27 105.19 101.14 1bws n GLY 27 Ca -0.19 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1bws n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bws n ASP 28 N -1.43 2.77 -4.00 1.61 5.75 -1.26 -4.84 116.55 115.14 1bws n ASP 28 Ca 0.07 -2.05 -0.19 0.00 -0.01 0.00 0.00 54.79 52.60 1bws n ASP 28 Cb 0.33 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 39.92 1bws n ASP 28 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bws s VAL 29 N -1.41 0.73 -0.25 2.12 1.01 -1.20 -1.69 120.40 119.71 1bws s VAL 29 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1bws s VAL 29 Cb 0.18 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1bws s VAL 29 CO 0.21 0.22 -0.05 -0.70 0.00 0.00 0.00 175.10 174.79 1bws s GLU 30 N 0.06 2.89 0.00 2.72 2.12 0.22 -4.89 118.70 121.81 1bws s GLU 30 Ca -0.01 -0.94 -0.25 0.00 0.36 0.00 0.00 54.97 54.13 1bws s GLU 30 Cb -0.07 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 1bws s GLU 30 CO 0.00 -0.39 0.76 -0.51 -0.54 0.00 0.00 175.26 174.58 1bws s LEU 31 N 1.35 4.40 -0.19 2.70 1.43 -1.26 -0.48 118.68 126.61 1bws s LEU 31 Ca 0.01 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1bws s LEU 31 Cb -0.16 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1bws s LEU 31 CO -0.04 -0.05 -0.12 -0.69 0.23 0.00 0.00 176.35 175.68 1bws s VAL 32 N 0.33 2.75 0.04 -1.59 1.01 0.18 -4.91 120.40 118.21 1bws s VAL 32 Ca 0.39 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1bws s VAL 32 Cb -0.20 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1bws s VAL 32 CO 0.22 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.92 1bws s LEU 33 N 1.30 2.21 0.02 3.92 1.43 -1.26 -3.23 118.68 123.06 1bws s LEU 33 Ca 0.04 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1bws s LEU 33 Cb -0.14 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 1bws s LEU 33 CO -0.07 -0.05 0.00 -0.13 0.23 0.00 0.00 176.35 176.33 1bws s ARG 34 N -1.32 0.33 0.63 1.70 1.81 -1.26 -5.11 118.95 115.72 1bws s ARG 34 Ca -0.02 -0.53 -0.04 0.00 -1.72 0.00 0.00 55.73 53.41 1bws s ARG 34 Cb -0.08 0.12 0.04 0.00 -0.45 0.00 0.00 34.95 34.58 1bws s ARG 34 CO 0.01 -0.06 0.91 0.95 -0.68 0.00 0.00 175.30 176.44 1bws s THR 35 N -1.36 2.76 0.27 0.02 -4.23 -1.26 -4.72 115.64 107.12 1bws s THR 35 Ca -0.15 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1bws s THR 35 Cb -0.09 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.87 1bws s THR 35 CO -0.00 -0.12 1.93 -0.09 -0.54 0.00 0.00 174.62 175.80 1bws h ARG 36 N -0.29 1.18 -0.18 3.99 2.43 -2.02 1.05 114.38 120.54 1bws h ARG 36 Ca -0.44 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 58.51 1bws h ARG 36 Cb 1.30 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1bws h ARG 36 CO 0.58 0.81 -0.43 0.38 -1.51 0.00 0.00 179.97 179.79 1bws h ASP 37 N 1.20 0.47 0.74 -3.80 2.03 -2.02 -2.71 116.42 112.33 1bws h ASP 37 Ca 0.32 -0.21 -0.13 0.00 -0.73 0.00 0.00 57.03 56.28 1bws h ASP 37 Cb -0.09 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.26 1bws h ASP 37 CO -0.06 0.84 -0.62 -0.33 -1.03 0.00 0.00 179.24 178.04 1bws h GLU 38 N 0.36 0.00 -1.31 4.15 5.08 -1.68 -3.42 114.58 117.76 1bws h GLU 38 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1bws h GLU 38 Cb 0.91 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.92 1bws h GLU 38 CO 0.08 0.62 -0.44 -1.17 -1.00 0.00 0.00 179.01 177.10 1bws s LEU 39 N -7.35 -1.24 -0.39 1.33 2.96 0.36 -4.88 118.68 109.46 1bws s LEU 39 Ca -0.01 0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.64 1bws s LEU 39 Cb 0.12 1.64 -0.00 0.00 0.50 0.00 0.00 46.19 48.45 1bws s LEU 39 CO 0.75 -0.32 1.59 0.21 -1.32 0.00 0.00 176.35 177.27 1bws s ASN 40 N 2.71 6.11 0.00 3.68 3.04 -1.07 -4.42 114.94 124.98 1bws s ASN 40 Ca 0.11 1.00 0.10 0.00 0.04 0.00 0.00 52.86 54.10 1bws s ASN 40 Cb -0.12 -2.53 0.42 0.00 -1.54 0.00 0.00 41.25 37.48 1bws s ASN 40 CO -0.27 -1.59 1.30 0.18 -3.04 0.00 0.00 177.10 173.68 1bws n LEU 41 N 9.59 0.00 0.16 3.21 4.77 -1.26 -1.83 117.00 131.64 1bws n LEU 41 Ca 0.19 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.70 1bws n LEU 41 Cb 0.48 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1bws n LEU 41 CO 0.70 -0.32 0.56 -0.07 -1.33 0.00 0.00 177.39 176.93 1bws h LEU 42 N 0.00 0.00 -8.33 2.23 3.38 -1.90 -3.39 115.31 107.30 1bws h LEU 42 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1bws h LEU 42 Cb 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.76 1bws h LEU 42 CO 0.00 0.37 0.39 -0.62 0.09 0.00 0.00 178.44 178.68 1bws s ASP 43 N -6.39 6.23 0.16 -0.43 -1.08 -0.76 -4.90 116.67 109.49 1bws s ASP 43 Ca 0.05 -0.87 -0.17 0.00 -0.52 0.00 0.00 52.55 51.04 1bws s ASP 43 Cb 0.07 -2.38 0.07 0.00 -1.46 0.00 0.00 42.92 39.22 1bws s ASP 43 CO 0.72 -1.24 1.70 -1.28 0.52 0.00 0.00 175.17 175.60 1bws h SER 44 N 9.34 -0.17 -0.22 -0.34 0.87 -1.85 0.52 113.55 121.70 1bws h SER 44 Ca -0.28 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1bws h SER 44 Cb 1.08 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 1bws h SER 44 CO 1.10 -0.05 -0.07 0.03 -0.53 0.00 0.00 176.83 177.31 1bws h ARG 45 N 0.08 -0.03 -0.16 2.24 2.47 -1.96 1.00 114.38 118.01 1bws h ARG 45 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1bws h ARG 45 Cb 0.24 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1bws h ARG 45 CO -0.29 -0.02 0.10 0.00 0.56 0.00 0.00 179.97 180.32 1bws h ALA 46 N 1.17 0.20 -1.00 0.04 0.00 -1.62 0.30 119.26 118.35 1bws h ALA 46 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1bws h ALA 46 Cb 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1bws h ALA 46 CO -0.24 -0.30 0.65 0.28 0.00 0.00 0.00 179.25 179.64 1bws h VAL 47 N 0.20 1.19 -0.43 0.00 2.07 0.62 -1.21 116.25 118.70 1bws h VAL 47 Ca 0.06 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1bws h VAL 47 Cb -0.00 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.55 1bws h VAL 47 CO -0.01 0.23 -0.11 0.45 0.02 0.00 0.00 177.57 178.15 1bws h HIS 48 N 1.28 0.84 -0.50 1.57 -0.00 0.21 -2.13 115.15 116.42 1bws h HIS 48 Ca 0.39 -0.15 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1bws h HIS 48 Cb -0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 1bws h HIS 48 CO -0.00 0.84 0.15 -0.44 -0.00 0.00 0.00 177.93 178.48 1bws h ASP 49 N 0.70 0.73 0.50 2.45 3.32 0.33 0.35 116.42 124.80 1bws h ASP 49 Ca 0.12 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1bws h ASP 49 Cb 0.59 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1bws h ASP 49 CO 0.04 0.75 -0.29 0.15 -1.72 0.00 0.00 179.24 178.16 1bws h PHE 50 N 0.68 -0.77 0.00 4.55 3.57 -1.05 -1.15 116.94 122.77 1bws h PHE 50 Ca 0.16 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1bws h PHE 50 Cb 0.28 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1bws h PHE 50 CO 0.02 -0.46 -0.21 0.74 -2.23 0.00 0.00 178.31 176.17 1bws h PHE 51 N -0.75 0.00 0.00 0.41 0.04 -0.97 -1.13 116.94 114.53 1bws h PHE 51 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1bws h PHE 51 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1bws h PHE 51 CO -0.08 0.21 0.00 0.00 -0.60 0.00 0.00 178.31 177.83 1bws n ALA 52 N -2.47 2.10 -0.19 2.45 0.00 0.12 -3.70 120.51 118.83 1bws n ALA 52 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bws n ALA 52 Cb 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1bws n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bws n SER 53 N -1.37 0.40 -0.30 0.00 3.41 -0.50 -4.89 113.62 110.37 1bws n SER 53 Ca 0.09 -0.73 0.06 0.00 -0.26 0.00 0.00 58.87 58.03 1bws n SER 53 Cb 0.21 0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1bws n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bws n GLU 54 N -0.28 1.77 -3.27 4.33 -0.58 -0.54 -5.04 120.64 117.03 1bws n GLU 54 Ca 0.00 -0.75 -0.14 0.00 -0.42 0.00 0.00 57.16 55.84 1bws n GLU 54 Cb 0.05 -1.15 0.05 0.00 -0.57 0.00 0.00 31.44 29.82 1bws n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bws n ARG 55 N -0.07 -1.96 -3.45 3.49 1.74 -1.26 -4.97 116.66 110.18 1bws n ARG 55 Ca 0.05 0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 57.68 1bws n ARG 55 Cb 0.26 -5.58 -0.06 0.00 -1.02 0.00 0.00 32.46 26.06 1bws n ARG 55 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bws s ILE 56 N -3.32 4.98 -0.21 0.55 1.01 -1.26 -4.79 121.20 118.15 1bws s ILE 56 Ca 0.38 0.91 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 1bws s ILE 56 Cb -0.06 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.53 1bws s ILE 56 CO 0.76 0.57 -0.21 0.47 0.00 0.00 0.00 174.94 176.52 1bws n ASP 57 N 1.87 2.19 -4.16 3.58 8.00 0.11 -4.70 116.55 123.44 1bws n ASP 57 Ca -0.13 -0.02 -0.17 0.00 0.71 0.00 0.00 54.79 55.18 1bws n ASP 57 Cb 0.52 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.10 1bws n ASP 57 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1bws s GLN 58 N -2.42 0.78 -0.08 -1.24 -0.21 -0.86 -3.88 119.66 111.75 1bws s GLN 58 Ca -0.29 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.13 1bws s GLN 58 Cb 0.08 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.43 1bws s GLN 58 CO 0.46 0.14 -0.09 0.08 -2.12 0.00 0.00 175.29 173.76 1bws s VAL 59 N -1.56 1.00 -0.37 1.09 1.01 -0.76 -0.89 120.40 119.91 1bws s VAL 59 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1bws s VAL 59 Cb -0.08 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1bws s VAL 59 CO 0.02 0.34 0.18 -0.31 0.00 0.00 0.00 175.10 175.33 1bws s TYR 60 N 1.14 3.27 -1.26 5.22 1.51 0.21 -0.42 117.35 127.01 1bws s TYR 60 Ca -0.06 -1.24 -0.15 0.00 -1.01 0.00 0.00 57.07 54.61 1bws s TYR 60 Cb -0.14 -2.49 0.13 0.00 -0.11 0.00 0.00 41.96 39.34 1bws s TYR 60 CO -0.02 -0.72 1.62 -0.11 -1.11 0.00 0.00 175.55 175.22 1bws n LEU 61 N 4.92 5.32 -0.91 -1.29 0.00 0.29 -1.40 117.00 123.94 1bws n LEU 61 Ca -0.12 -4.27 0.09 0.00 0.00 0.00 0.00 56.01 51.72 1bws n LEU 61 Cb 0.45 -1.66 0.17 0.00 0.00 0.00 0.00 43.42 42.38 1bws n LEU 61 CO 0.35 0.60 0.63 0.00 0.00 0.00 0.00 177.39 178.97 1bws n ALA 62 N 6.49 2.38 -2.23 1.96 0.00 -1.12 -3.93 120.51 124.06 1bws n ALA 62 Ca 0.42 -0.96 -0.39 0.00 0.00 0.00 0.00 53.44 52.51 1bws n ALA 62 Cb 0.43 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1bws n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bws s ALA 63 N -1.26 3.51 0.09 0.00 0.00 -1.15 -4.61 121.76 118.35 1bws s ALA 63 Ca 0.31 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 1bws s ALA 63 Cb 0.18 -2.78 0.08 0.00 0.00 0.00 0.00 23.12 20.60 1bws s ALA 63 CO 0.25 0.30 0.87 0.00 0.00 0.00 0.00 175.76 177.18 1bws s ALA 64 N -0.88 -1.69 -0.55 0.00 0.00 -1.26 -4.94 121.76 112.44 1bws s ALA 64 Ca 0.32 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1bws s ALA 64 Cb -0.20 0.59 0.14 0.00 0.00 0.00 0.00 23.12 23.64 1bws s ALA 64 CO 0.21 -0.86 0.47 0.21 0.00 0.00 0.00 175.76 175.79 1bws s LYS 65 N -3.31 2.84 0.10 0.00 2.47 -1.26 -5.06 119.74 115.53 1bws s LYS 65 Ca 0.08 -1.85 0.08 0.00 -1.56 0.00 0.00 55.97 52.71 1bws s LYS 65 Cb -0.01 -4.15 -0.04 0.00 -1.46 0.00 0.00 37.83 32.17 1bws s LYS 65 CO -0.04 -1.27 -0.13 0.14 0.16 0.00 0.00 175.35 174.21 1bws s VAL 66 N 1.27 3.17 0.31 4.02 -7.23 -1.26 -4.90 120.40 115.78 1bws s VAL 66 Ca 0.06 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 1bws s VAL 66 Cb -0.26 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.29 1bws s VAL 66 CO -0.00 0.13 0.89 -0.83 -0.31 0.00 0.00 175.10 174.98 1bws s GLY 67 N -2.12 0.30 0.30 2.32 0.00 -1.26 -5.09 107.32 101.78 1bws s GLY 67 Ca 0.20 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 1bws s GLY 67 CO 0.12 0.81 0.41 0.61 0.00 0.00 0.00 173.10 175.05 1bws n GLY 68 N -0.61 0.50 0.18 0.20 0.00 -1.26 -4.78 105.19 99.42 1bws n GLY 68 Ca -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 1bws n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bws h ILE 69 N -0.56 0.75 -0.76 -0.61 2.04 -1.97 0.38 117.51 116.77 1bws h ILE 69 Ca -0.14 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1bws h ILE 69 Cb 0.48 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1bws h ILE 69 CO 0.14 0.04 0.30 0.58 0.00 0.00 0.00 178.15 179.20 1bws h VAL 70 N 0.19 1.26 -0.02 1.67 2.07 -1.97 -1.99 116.25 117.46 1bws h VAL 70 Ca 0.21 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1bws h VAL 70 Cb 0.28 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1bws h VAL 70 CO -0.30 0.33 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 1bws h ALA 71 N 1.15 0.02 -0.89 1.67 0.00 -1.77 -0.40 119.26 119.04 1bws h ALA 71 Ca 0.25 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1bws h ALA 71 Cb 0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1bws h ALA 71 CO -0.02 -0.18 0.49 -0.91 0.00 0.00 0.00 179.25 178.63 1bws h ASN 72 N -0.48 0.62 0.99 0.00 2.35 -0.95 0.78 115.58 118.88 1bws h ASN 72 Ca 0.00 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1bws h ASN 72 Cb 0.57 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1bws h ASN 72 CO 0.01 0.26 -0.43 0.78 -1.65 0.00 0.00 177.43 176.40 1bws h ASN 73 N 0.69 0.00 0.38 5.81 2.35 -1.30 -3.22 115.58 120.28 1bws h ASN 73 Ca 0.49 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.92 1bws h ASN 73 Cb 0.69 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1bws h ASN 73 CO -0.36 0.43 -1.74 0.74 -1.65 0.00 0.00 177.43 174.85 1bws h THR 74 N 0.00 0.87 -2.20 2.81 2.02 0.32 -3.41 112.91 113.32 1bws h THR 74 Ca -0.00 -2.63 -0.56 0.00 0.77 0.00 0.00 66.41 63.99 1bws h THR 74 Cb 1.03 2.53 -0.41 0.00 -1.74 0.00 0.00 68.15 69.57 1bws h THR 74 CO 0.06 0.71 -0.80 -1.22 0.37 0.00 0.00 175.52 174.63 1bws n TYR 75 N -3.28 2.87 -0.25 3.16 4.01 0.13 -4.94 117.16 118.86 1bws n TYR 75 Ca -0.21 -3.95 0.01 0.00 -0.16 0.00 0.00 57.90 53.59 1bws n TYR 75 Cb 1.05 -0.47 0.23 0.00 -0.31 0.00 0.00 39.34 39.83 1bws n TYR 75 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bws h PRO 76 N 3.08 1.04 -0.54 -0.72 0.13 -1.77 -2.92 132.00 130.30 1bws h PRO 76 Ca 0.12 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1bws h PRO 76 Cb 0.65 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 1bws h PRO 76 CO 0.72 0.69 0.35 0.00 -0.23 0.00 0.00 178.00 179.54 1bws h ALA 77 N 1.50 0.69 -0.91 -0.56 0.00 -1.92 -2.36 119.26 115.70 1bws h ALA 77 Ca 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1bws h ALA 77 Cb -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1bws h ALA 77 CO -0.07 0.11 0.60 -0.44 0.00 0.00 0.00 179.25 179.45 1bws h ASP 78 N 0.72 1.04 -0.36 0.00 3.32 -1.94 -0.10 116.42 119.09 1bws h ASP 78 Ca 0.20 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1bws h ASP 78 Cb -0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1bws h ASP 78 CO -0.06 0.74 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.68 1bws h PHE 79 N 1.22 0.97 0.08 4.55 0.04 -1.41 -1.88 116.94 120.51 1bws h PHE 79 Ca 0.34 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1bws h PHE 79 Cb -0.11 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1bws h PHE 79 CO -0.01 1.05 -0.04 0.97 -0.60 0.00 0.00 178.31 179.68 1bws h ILE 80 N 0.62 1.19 0.24 -0.55 2.10 -1.32 -3.21 117.51 116.58 1bws h ILE 80 Ca 0.07 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.69 1bws h ILE 80 Cb 0.84 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 38.55 1bws h ILE 80 CO 0.07 0.31 -0.24 0.22 -1.08 0.00 0.00 178.15 177.43 1bws h TYR 81 N -0.74 -0.64 -0.62 2.19 3.20 -1.11 -0.05 116.97 119.21 1bws h TYR 81 Ca -0.01 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1bws h TYR 81 Cb 0.58 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1bws h TYR 81 CO 0.12 -0.35 0.10 1.96 -1.64 0.00 0.00 178.16 178.34 1bws h GLN 82 N -0.52 1.00 -0.22 1.82 4.20 -1.53 -0.26 115.11 119.60 1bws h GLN 82 Ca -0.00 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1bws h GLN 82 Cb 0.48 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1bws h GLN 82 CO -0.05 0.92 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.72 1bws h ASN 83 N 0.94 0.55 -0.41 1.46 2.35 -1.53 -1.06 115.58 117.87 1bws h ASN 83 Ca 0.19 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1bws h ASN 83 Cb 0.41 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1bws h ASN 83 CO 0.01 0.89 -0.14 0.24 -1.65 0.00 0.00 177.43 176.78 1bws h MET 84 N 0.43 0.82 -0.08 0.81 2.86 -0.25 -2.73 114.93 116.80 1bws h MET 84 Ca 0.04 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1bws h MET 84 Cb 0.89 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1bws h MET 84 CO 0.08 0.96 -0.03 0.52 1.06 0.00 0.00 176.91 179.50 1bws h MET 85 N 0.64 0.16 -0.46 1.72 2.86 -0.99 -1.50 114.93 117.36 1bws h MET 85 Ca 0.10 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1bws h MET 85 Cb 0.68 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 1bws h MET 85 CO 0.05 0.51 0.04 0.82 1.06 0.00 0.00 176.91 179.39 1bws h ILE 86 N -0.20 0.68 -0.42 -1.22 2.04 -1.21 0.30 117.51 117.48 1bws h ILE 86 Ca 0.02 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 1bws h ILE 86 Cb 0.46 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1bws h ILE 86 CO 0.01 0.03 -0.23 1.05 0.00 0.00 0.00 178.15 179.01 1bws h GLU 87 N 0.15 0.90 0.12 2.37 4.11 -1.48 -2.46 114.58 118.29 1bws h GLU 87 Ca 0.23 -0.40 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 1bws h GLU 87 Cb 0.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1bws h GLU 87 CO -0.35 1.06 -0.06 0.77 0.07 0.00 0.00 179.01 180.49 1bws h SER 88 N 0.73 -0.16 0.20 3.06 0.02 -0.97 -1.98 113.55 114.45 1bws h SER 88 Ca 0.09 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1bws h SER 88 Cb 0.80 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 1bws h SER 88 CO 0.07 -0.11 -0.42 0.78 -1.14 0.00 0.00 176.83 176.01 1bws h ASN 89 N -0.17 -1.20 -0.30 3.07 2.35 -0.98 -1.51 115.58 116.84 1bws h ASN 89 Ca -0.01 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1bws h ASN 89 Cb 0.14 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1bws h ASN 89 CO 0.02 -0.51 0.20 0.40 -1.65 0.00 0.00 177.43 175.89 1bws h ILE 90 N -0.70 1.07 -0.22 2.81 2.04 -1.41 -1.26 117.51 119.84 1bws h ILE 90 Ca 0.01 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1bws h ILE 90 Cb 0.70 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1bws h ILE 90 CO -0.19 0.07 -0.03 0.40 0.00 0.00 0.00 178.15 178.40 1bws h ILE 91 N 0.40 1.27 0.14 -0.67 2.04 -1.34 -0.75 117.51 118.60 1bws h ILE 91 Ca 0.11 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1bws h ILE 91 Cb -0.04 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1bws h ILE 91 CO -0.03 0.30 -0.07 -0.74 0.00 0.00 0.00 178.15 177.61 1bws h HIS 92 N 0.14 -0.17 -0.79 1.37 2.76 -1.22 -1.22 115.15 116.03 1bws h HIS 92 Ca 0.06 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1bws h HIS 92 Cb 0.46 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 1bws h HIS 92 CO 0.04 -0.03 0.51 0.00 -1.30 0.00 0.00 177.93 177.15 1bws h ALA 93 N 0.58 1.03 -0.09 5.26 0.00 -1.22 -1.54 119.26 123.28 1bws h ALA 93 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bws h ALA 93 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bws h ALA 93 CO 0.03 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1bws h ALA 94 N 1.33 0.04 -0.72 0.00 0.00 -0.84 -1.26 119.26 117.80 1bws h ALA 94 Ca 0.31 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1bws h ALA 94 Cb -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1bws h ALA 94 CO -0.11 -0.51 0.45 1.25 0.00 0.00 0.00 179.25 180.34 1bws h HIS 95 N -0.04 0.85 0.00 0.00 6.17 -0.72 0.12 115.15 121.54 1bws h HIS 95 Ca 0.05 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 1bws h HIS 95 Cb 0.12 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 29.77 1bws h HIS 95 CO -0.16 0.49 -0.03 0.37 0.71 0.00 0.00 177.93 179.30 1bws h GLN 96 N 0.89 0.00 -0.27 5.26 4.15 -0.85 0.27 115.11 124.55 1bws h GLN 96 Ca 0.29 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.64 1bws h GLN 96 Cb 0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1bws h GLN 96 CO -0.11 0.03 -0.02 0.09 -1.93 0.00 0.00 178.83 176.90 1bws n ASN 97 N -3.21 3.26 -3.69 -0.69 3.02 -0.52 -4.96 115.26 108.48 1bws n ASN 97 Ca -0.01 -3.29 -0.24 0.00 -0.03 0.00 0.00 54.58 51.01 1bws n ASN 97 Cb 0.23 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 38.88 1bws n ASN 97 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bws n ASP 98 N -0.81 -3.82 -4.65 6.41 -0.08 0.97 -4.94 116.55 109.63 1bws n ASP 98 Ca 0.25 -0.70 -0.40 0.00 -1.51 0.00 0.00 54.79 52.43 1bws n ASP 98 Cb 0.93 -4.45 -0.06 0.00 2.34 0.00 0.00 41.12 39.88 1bws n ASP 98 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1bws s VAL 99 N -3.41 5.00 -0.07 5.18 1.01 0.31 -4.95 120.40 123.48 1bws s VAL 99 Ca 0.36 1.17 0.22 0.00 0.00 0.00 0.00 61.98 63.73 1bws s VAL 99 Cb -0.17 -3.94 -0.29 0.00 0.00 0.00 0.00 36.38 31.98 1bws s VAL 99 CO 0.78 0.07 0.53 -3.20 0.00 0.00 0.00 175.10 173.28 1bws n ASN 100 N 5.35 0.12 -4.33 3.32 5.15 -1.26 -4.41 115.26 119.20 1bws n ASN 100 Ca -0.01 0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.68 1bws n ASN 100 Cb 0.49 1.70 -0.14 0.00 -0.53 0.00 0.00 39.78 41.30 1bws n ASN 100 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1bws s LYS 101 N -3.41 3.35 -0.08 1.20 1.02 -1.25 0.11 119.74 120.66 1bws s LYS 101 Ca -0.07 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.10 1bws s LYS 101 Cb 0.13 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1bws s LYS 101 CO 0.89 0.05 0.34 -1.17 -0.92 0.00 0.00 175.35 174.53 1bws s LEU 102 N 0.79 0.71 -0.25 3.17 0.20 -0.98 -1.84 118.68 120.49 1bws s LEU 102 Ca -0.04 0.47 -0.02 0.00 0.69 0.00 0.00 54.13 55.22 1bws s LEU 102 Cb -0.15 1.25 0.02 0.00 -0.43 0.00 0.00 46.19 46.88 1bws s LEU 102 CO 0.01 -0.26 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.54 1bws s LEU 103 N -0.43 3.16 0.01 -0.68 2.96 0.45 -0.02 118.68 124.13 1bws s LEU 103 Ca -0.06 -0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 1bws s LEU 103 Cb -0.04 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.92 1bws s LEU 103 CO 0.02 -0.12 0.40 0.12 -1.32 0.00 0.00 176.35 175.45 1bws s PHE 104 N 1.35 3.70 -0.24 5.38 5.36 0.12 -0.54 117.98 133.11 1bws s PHE 104 Ca 0.01 0.95 -0.06 0.00 -0.96 0.00 0.00 56.93 56.87 1bws s PHE 104 Cb -0.16 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 1bws s PHE 104 CO -0.04 0.62 0.02 -0.51 -1.46 0.00 0.00 175.22 173.85 1bws s LEU 105 N -1.23 3.20 0.00 6.12 1.02 -1.25 -1.43 118.68 125.10 1bws s LEU 105 Ca 0.25 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1bws s LEU 105 Cb -0.16 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.22 1bws s LEU 105 CO 0.14 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1bws n GLY 106 N 4.86 1.22 3.65 -3.19 0.00 0.11 -4.98 105.19 106.85 1bws n GLY 106 Ca -0.17 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 1bws n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bws s SER 107 N -0.86 -0.21 0.32 1.61 0.15 -1.26 -4.41 113.70 109.04 1bws s SER 107 Ca 0.00 0.38 0.09 0.00 0.70 0.00 0.00 55.95 57.12 1bws s SER 107 Cb 0.00 0.57 0.90 0.00 -1.71 0.00 0.00 66.02 65.77 1bws s SER 107 CO 0.00 -0.06 1.69 0.77 1.20 0.00 0.00 173.24 176.84 1bws h SER 108 N 4.04 0.48 0.00 5.45 4.64 -1.17 -1.83 113.55 125.16 1bws h SER 108 Ca -0.27 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1bws h SER 108 Cb 1.18 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bws h SER 108 CO 0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1bws n ILE 110 N -0.33 0.09 -1.79 0.00 5.41 -0.69 -4.84 119.36 117.21 1bws n ILE 110 Ca 0.00 -0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.26 1bws n ILE 110 Cb 0.01 0.40 0.03 0.00 -0.71 0.00 0.00 39.64 39.37 1bws n ILE 110 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1bws s TYR 111 N -3.16 3.27 0.80 1.39 2.02 -0.62 -4.73 117.35 116.31 1bws s TYR 111 Ca 0.04 1.40 -0.14 0.00 -0.37 0.00 0.00 57.07 58.01 1bws s TYR 111 Cb 0.15 -2.85 0.07 0.00 -0.40 0.00 0.00 41.96 38.93 1bws s TYR 111 CO 0.82 -0.99 1.10 -2.30 -1.57 0.00 0.00 175.55 172.61 1bws n PRO 112 N -2.74 0.20 -0.20 -1.71 -0.02 -1.26 -4.66 135.00 124.62 1bws n PRO 112 Ca 0.07 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 1bws n PRO 112 Cb 0.54 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1bws n PRO 112 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1bws h LYS 113 N -0.84 0.46 -0.80 -0.52 3.64 -0.34 -2.76 116.57 115.43 1bws h LYS 113 Ca -0.46 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.38 1bws h LYS 113 Cb 1.30 -0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.73 1bws h LYS 113 CO 0.45 0.31 0.22 1.28 -2.27 0.00 0.00 179.45 179.44 1bws n LEU 114 N -4.93 6.11 -4.54 5.20 4.77 -1.26 -5.02 117.00 117.33 1bws n LEU 114 Ca 0.07 -4.19 -0.36 0.00 -0.03 0.00 0.00 56.01 51.50 1bws n LEU 114 Cb 0.22 -0.73 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1bws n LEU 114 CO 0.25 1.52 0.31 0.00 -1.33 0.00 0.00 177.39 178.13 1bws n ALA 115 N -0.95 -0.80 -1.96 -1.18 0.00 -1.04 -4.90 120.51 109.68 1bws n ALA 115 Ca 0.51 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 1bws n ALA 115 Cb 0.97 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1bws n ALA 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bws s LYS 116 N -2.96 4.59 -0.04 0.00 2.20 -1.26 -4.96 119.74 117.31 1bws s LYS 116 Ca 0.70 1.77 -0.04 0.00 -0.36 0.00 0.00 55.97 58.04 1bws s LYS 116 Cb -0.36 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1bws s LYS 116 CO 0.53 0.10 0.18 -0.65 -0.36 0.00 0.00 175.35 175.15 1bws s GLN 117 N -0.70 3.46 0.63 4.03 -1.52 -1.26 -3.14 119.66 121.16 1bws s GLN 117 Ca 0.48 -0.23 -0.15 0.00 -1.95 0.00 0.00 55.36 53.51 1bws s GLN 117 Cb -0.31 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.34 1bws s GLN 117 CO 0.37 0.70 1.09 -1.25 -0.25 0.00 0.00 175.29 175.95 1bws s PRO 118 N -1.66 3.02 -0.36 2.91 0.04 -1.26 -5.08 135.00 132.61 1bws s PRO 118 Ca 0.24 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 1bws s PRO 118 Cb -0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1bws s PRO 118 CO 0.14 -1.07 0.99 -1.64 0.04 0.00 0.00 177.00 175.47 1bws s MET 119 N -4.09 3.91 0.71 4.56 -1.94 0.34 -4.57 119.30 118.21 1bws s MET 119 Ca 0.65 0.74 -0.10 0.00 -1.71 0.00 0.00 55.69 55.27 1bws s MET 119 Cb -0.19 -3.79 0.03 0.00 2.01 0.00 0.00 34.83 32.89 1bws s MET 119 CO 0.40 -0.97 1.08 0.00 -0.01 0.00 0.00 175.02 175.51 1bws s ALA 120 N 3.63 2.93 0.56 3.03 0.00 -1.26 -0.90 121.76 129.74 1bws s ALA 120 Ca 0.41 -0.49 0.24 0.00 0.00 0.00 0.00 51.96 52.13 1bws s ALA 120 Cb -0.12 -2.92 1.52 0.00 0.00 0.00 0.00 23.12 21.60 1bws s ALA 120 CO 0.19 -1.19 2.14 0.93 0.00 0.00 0.00 175.76 177.82 1bws h GLU 121 N -0.65 0.00 0.00 0.00 3.07 -1.94 -0.91 114.58 114.15 1bws h GLU 121 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1bws h GLU 121 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1bws h GLU 121 CO 0.64 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 177.12 1bws n SER 122 N -4.16 0.00 0.13 1.42 3.41 -1.26 -2.50 113.62 110.66 1bws n SER 122 Ca 0.00 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1bws n SER 122 Cb 0.23 -0.25 0.48 0.00 -0.26 0.00 0.00 64.21 64.42 1bws n SER 122 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bws h GLU 123 N 0.00 0.00 -6.86 4.33 4.39 -1.53 -3.44 114.58 111.47 1bws h GLU 123 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1bws h GLU 123 Cb 0.18 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 28.92 1bws h GLU 123 CO 0.00 0.00 0.85 -1.17 -1.16 0.00 0.00 179.01 177.53 1bws s LEU 124 N -4.62 4.33 0.00 1.33 2.96 -1.04 -1.91 118.68 119.73 1bws s LEU 124 Ca 0.06 3.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1bws s LEU 124 Cb 0.10 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1bws s LEU 124 CO 0.46 -0.92 0.00 0.18 -1.32 0.00 0.00 176.35 174.75 1bws n LEU 125 N 1.51 0.74 0.00 -0.68 4.77 -1.26 -4.88 117.00 117.19 1bws n LEU 125 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1bws n LEU 125 Cb 0.38 -1.67 0.59 0.00 -2.33 0.00 0.00 43.42 40.39 1bws n LEU 125 CO 0.64 -0.61 0.82 0.00 -1.33 0.00 0.00 177.39 176.91 1bws n GLN 126 N -0.74 0.80 -3.36 3.23 1.13 -0.80 -4.91 117.38 112.73 1bws n GLN 126 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1bws n GLN 126 Cb 0.24 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1bws n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bws n GLY 127 N 0.53 -1.70 3.61 1.08 0.00 -1.26 -5.05 105.19 102.40 1bws n GLY 127 Ca 0.15 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1bws n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bws n THR 128 N 0.04 3.12 -3.79 2.61 -1.04 -1.26 -4.54 114.28 109.43 1bws n THR 128 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 1bws n THR 128 Cb 0.00 -1.16 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 1bws n THR 128 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1bws s LEU 129 N -1.38 4.20 0.02 -4.42 1.43 -1.26 0.39 118.68 117.66 1bws s LEU 129 Ca 0.70 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 1bws s LEU 129 Cb -0.47 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 42.85 1bws s LEU 129 CO 0.51 -0.20 1.54 -0.70 0.23 0.00 0.00 176.35 177.73 1bws s GLU 130 N -4.06 4.23 0.42 1.70 2.56 -1.26 -4.69 118.70 117.61 1bws s GLU 130 Ca 0.38 2.14 0.08 0.00 0.00 0.00 0.00 54.97 57.57 1bws s GLU 130 Cb -0.09 -3.65 0.90 0.00 2.00 0.00 0.00 34.13 33.29 1bws s GLU 130 CO 0.30 -0.68 2.06 -1.00 -0.56 0.00 0.00 175.26 175.38 1bws h PRO 131 N 8.28 0.49 -0.72 4.30 0.13 -1.99 -0.65 132.00 141.84 1bws h PRO 131 Ca -0.40 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1bws h PRO 131 Cb 1.19 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1bws h PRO 131 CO 0.92 0.33 0.42 1.15 -0.23 0.00 0.00 178.00 180.59 1bws h THR 132 N 0.51 1.20 -0.01 1.56 2.02 -1.97 -2.85 112.91 113.37 1bws h THR 132 Ca 0.15 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1bws h THR 132 Cb -0.01 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1bws h THR 132 CO -0.03 0.22 -0.34 0.59 0.37 0.00 0.00 175.52 176.32 1bws n ASN 133 N -4.39 1.72 -0.20 4.18 4.13 -0.81 -4.41 115.26 115.49 1bws n ASN 133 Ca 0.07 -1.33 -0.03 0.00 1.68 0.00 0.00 54.58 54.96 1bws n ASN 133 Cb 0.07 0.30 0.03 0.00 -1.54 0.00 0.00 39.78 38.64 1bws n ASN 133 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1bws h GLU 134 N 2.17 -0.11 -0.12 3.52 4.81 -0.89 0.37 114.58 124.33 1bws h GLU 134 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bws h GLU 134 Cb 0.67 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1bws h GLU 134 CO 0.00 -0.07 0.07 -1.35 -0.73 0.00 0.00 179.01 176.93 1bws h PRO 135 N -0.11 0.16 -0.76 0.92 0.11 -1.84 -0.04 132.00 130.43 1bws h PRO 135 Ca 0.26 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.37 1bws h PRO 135 Cb 0.53 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 1bws h PRO 135 CO -0.66 0.14 0.49 -0.92 -0.21 0.00 0.00 178.00 176.84 1bws h TYR 136 N 0.13 0.93 -0.41 0.65 3.20 -1.70 -1.66 116.97 118.11 1bws h TYR 136 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1bws h TYR 136 Cb 0.02 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1bws h TYR 136 CO -0.06 0.57 0.14 0.00 -1.64 0.00 0.00 178.16 177.18 1bws h ALA 137 N 1.29 0.54 -0.19 1.82 0.00 0.45 -2.00 119.26 121.17 1bws h ALA 137 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1bws h ALA 137 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1bws h ALA 137 CO -0.08 0.17 0.07 0.82 0.00 0.00 0.00 179.25 180.23 1bws h ILE 138 N 0.52 0.97 -0.72 0.00 1.08 -0.81 0.12 117.51 118.68 1bws h ILE 138 Ca 0.14 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 1bws h ILE 138 Cb 0.23 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 34.70 1bws h ILE 138 CO -0.01 0.03 0.37 0.00 -0.69 0.00 0.00 178.15 177.85 1bws h ALA 139 N 1.11 1.00 0.02 1.87 0.00 -1.07 -0.40 119.26 121.79 1bws h ALA 139 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bws h ALA 139 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bws h ALA 139 CO -0.07 -0.02 -0.01 0.87 0.00 0.00 0.00 179.25 180.02 1bws h LYS 140 N 0.63 -0.02 -0.93 0.00 1.79 -0.75 -0.58 116.57 116.71 1bws h LYS 140 Ca 0.35 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.89 1bws h LYS 140 Cb 0.36 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1bws h LYS 140 CO -0.26 0.21 0.60 0.82 -1.08 0.00 0.00 179.45 179.74 1bws h ILE 141 N -0.25 1.06 -0.86 1.86 2.04 -0.36 0.24 117.51 121.25 1bws h ILE 141 Ca -0.00 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1bws h ILE 141 Cb 0.24 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.19 1bws h ILE 141 CO 0.00 0.19 0.56 0.00 0.00 0.00 0.00 178.15 178.91 1bws h ALA 142 N 1.50 1.43 -0.58 1.87 0.00 -0.56 -0.65 119.26 122.29 1bws h ALA 142 Ca 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1bws h ALA 142 Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1bws h ALA 142 CO -0.16 0.50 0.38 0.78 0.00 0.00 0.00 179.25 180.75 1bws h GLY 143 N 1.11 0.81 0.99 0.00 0.00 0.10 -0.36 103.07 105.72 1bws h GLY 143 Ca 0.33 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1bws h GLY 143 CO -0.09 0.29 -0.05 -2.22 0.00 0.00 0.00 176.54 174.47 1bws h ILE 144 N 0.77 1.27 0.00 2.60 2.04 -0.29 -2.25 117.51 121.65 1bws h ILE 144 Ca 0.21 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1bws h ILE 144 Cb -0.08 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1bws h ILE 144 CO -0.05 0.38 -0.27 0.11 0.00 0.00 0.00 178.15 178.32 1bws h LYS 145 N 0.63 0.00 0.31 2.37 1.79 -0.94 -1.08 116.57 119.65 1bws h LYS 145 Ca 0.12 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1bws h LYS 145 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1bws h LYS 145 CO 0.03 0.27 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.45 1bws h LEU 146 N 0.00 -0.35 -0.27 2.94 3.38 -0.71 -1.31 115.31 118.98 1bws h LEU 146 Ca -0.00 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1bws h LEU 146 Cb 0.73 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1bws h LEU 146 CO 0.03 -0.08 -0.43 0.00 0.09 0.00 0.00 178.44 178.05 1bws h GLU 148 N -0.41 0.52 -0.57 0.00 5.08 -1.18 -1.69 114.58 116.34 1bws h GLU 148 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1bws h GLU 148 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1bws h GLU 148 CO -0.49 0.35 -0.03 0.77 -1.00 0.00 0.00 179.01 178.61 1bws h SER 149 N 0.54 1.01 -0.17 1.42 0.02 0.15 0.14 113.55 116.66 1bws h SER 149 Ca 0.28 -0.32 -0.17 0.00 -0.84 0.00 0.00 61.79 60.74 1bws h SER 149 Cb 0.39 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.66 1bws h SER 149 CO -0.08 1.09 -0.55 1.88 -1.14 0.00 0.00 176.83 178.03 1bws h TYR 150 N 0.92 0.88 -0.32 3.45 -1.99 -1.15 -0.13 116.97 118.63 1bws h TYR 150 Ca 0.16 -0.36 0.05 0.00 2.00 0.00 0.00 58.73 60.58 1bws h TYR 150 Cb 0.58 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1bws h TYR 150 CO 0.04 1.15 0.05 -0.91 -0.00 0.00 0.00 178.16 178.50 1bws h ASN 151 N 0.36 -0.02 -0.18 3.88 -0.26 -1.05 0.16 115.58 118.47 1bws h ASN 151 Ca -0.02 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1bws h ASN 151 Cb 1.17 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.51 1bws h ASN 151 CO 0.12 0.03 -0.06 0.03 -1.06 0.00 0.00 177.43 176.48 1bws h ARG 152 N 0.16 0.36 0.24 0.81 3.08 -0.54 0.31 114.38 118.79 1bws h ARG 152 Ca 0.15 -0.15 -0.34 0.00 0.07 0.00 0.00 59.98 59.72 1bws h ARG 152 Cb 0.18 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.24 1bws h ARG 152 CO -0.21 0.64 -1.55 0.37 -1.07 0.00 0.00 179.97 178.16 1bws h GLN 153 N 0.06 0.50 -0.01 0.04 4.15 -0.95 -3.37 115.11 115.52 1bws h GLN 153 Ca 0.04 -0.86 0.00 0.00 0.77 0.00 0.00 58.65 58.61 1bws h GLN 153 Cb 0.52 0.32 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1bws h GLN 153 CO 0.02 1.41 -0.09 0.66 -1.93 0.00 0.00 178.83 178.90 1bws n TYR 154 N -3.70 0.00 -1.95 3.99 4.01 0.53 -5.00 117.16 115.04 1bws n TYR 154 Ca -0.19 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.45 1bws n TYR 154 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.11 1bws n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bws n GLY 155 N 0.83 0.27 3.78 2.72 0.00 0.09 -4.97 105.19 107.92 1bws n GLY 155 Ca 0.07 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1bws n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bws s ARG 156 N -4.05 -0.23 -0.53 1.61 1.81 -1.20 -4.95 118.95 111.40 1bws s ARG 156 Ca 0.00 -0.28 0.07 0.00 -1.72 0.00 0.00 55.73 53.80 1bws s ARG 156 Cb 0.00 -1.73 0.28 0.00 -0.45 0.00 0.00 34.95 33.05 1bws s ARG 156 CO 0.00 -3.02 0.73 -3.47 -0.68 0.00 0.00 175.30 168.86 1bws n ASP 157 N -4.22 2.60 -4.27 0.23 2.03 0.12 -4.56 116.55 108.48 1bws n ASP 157 Ca 0.15 -3.24 -0.44 0.00 0.52 0.00 0.00 54.79 51.77 1bws n ASP 157 Cb 0.59 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1bws n ASP 157 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1bws s TYR 158 N -2.34 3.42 0.51 -0.67 2.02 -1.26 -2.31 117.35 116.72 1bws s TYR 158 Ca 0.40 -1.71 -0.00 0.00 -0.37 0.00 0.00 57.07 55.39 1bws s TYR 158 Cb 0.21 -3.67 0.01 0.00 -0.40 0.00 0.00 41.96 38.11 1bws s TYR 158 CO -0.07 -0.99 0.75 1.03 -1.57 0.00 0.00 175.55 174.69 1bws s ARG 159 N 1.14 2.84 -0.03 -0.62 0.52 0.96 -4.63 118.95 119.14 1bws s ARG 159 Ca 0.08 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1bws s ARG 159 Cb -0.24 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.75 1bws s ARG 159 CO -0.01 -0.50 0.11 -1.12 0.02 0.00 0.00 175.30 173.80 1bws s SER 160 N -4.31 -0.07 0.01 0.23 0.01 -1.26 0.16 113.70 108.48 1bws s SER 160 Ca 0.52 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.91 1bws s SER 160 Cb -0.10 0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 1bws s SER 160 CO 0.39 -0.13 -0.10 0.68 0.41 0.00 0.00 173.24 174.48 1bws s VAL 161 N -0.37 0.81 -0.41 3.43 -7.23 -0.52 -1.34 120.40 114.77 1bws s VAL 161 Ca -0.04 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1bws s VAL 161 Cb -0.03 -0.72 0.11 0.00 0.56 0.00 0.00 36.38 36.30 1bws s VAL 161 CO 0.00 0.08 0.20 -0.04 -0.31 0.00 0.00 175.10 175.03 1bws s MET 162 N -0.63 1.97 0.51 4.82 -1.94 -0.55 0.04 119.30 123.52 1bws s MET 162 Ca 0.01 -1.86 -0.20 0.00 -1.71 0.00 0.00 55.69 51.93 1bws s MET 162 Cb -0.05 -3.55 -0.07 0.00 2.01 0.00 0.00 34.83 33.16 1bws s MET 162 CO 0.00 -1.06 1.09 -1.25 -0.01 0.00 0.00 175.02 173.78 1bws s PRO 163 N 1.06 3.61 0.00 2.03 0.04 -1.26 0.39 135.00 140.87 1bws s PRO 163 Ca 0.09 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1bws s PRO 163 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1bws s PRO 163 CO -0.05 -0.61 0.00 -2.37 0.04 0.00 0.00 177.00 174.01 1bws n THR 164 N -1.05 0.00 -1.72 1.26 5.66 -0.21 -0.69 114.28 117.52 1bws n THR 164 Ca 0.10 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.67 1bws n THR 164 Cb 0.51 -1.99 -0.02 0.00 -1.55 0.00 0.00 70.33 67.28 1bws n THR 164 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1bws n ASN 165 N -2.44 3.52 -4.56 1.09 3.02 -1.25 -4.79 115.26 109.86 1bws n ASN 165 Ca 0.00 1.14 -0.26 0.00 -0.03 0.00 0.00 54.58 55.44 1bws n ASN 165 Cb 0.00 -1.54 -0.11 0.00 -0.61 0.00 0.00 39.78 37.52 1bws n ASN 165 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bws s LEU 166 N -0.28 2.71 0.13 3.41 1.43 -1.26 0.02 118.68 124.85 1bws s LEU 166 Ca 0.65 -1.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1bws s LEU 166 Cb -0.54 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 44.91 1bws s LEU 166 CO 0.49 -0.39 0.81 -0.72 0.23 0.00 0.00 176.35 176.77 1bws s TYR 167 N -2.79 -0.30 -5.00 0.29 1.13 -0.75 -4.84 117.35 105.10 1bws s TYR 167 Ca 0.34 0.03 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1bws s TYR 167 Cb 0.07 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.54 1bws s TYR 167 CO 0.17 -0.83 0.00 0.41 -2.51 0.00 0.00 175.55 172.78 1bws n GLY 168 N -0.38 0.62 3.65 5.49 0.00 -1.26 -0.39 105.19 112.93 1bws n GLY 168 Ca -0.09 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1bws n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bws n PRO 169 N 0.00 1.26 -1.28 1.61 -0.02 -1.26 -2.33 135.00 132.98 1bws n PRO 169 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1bws n PRO 169 Cb 0.00 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 1bws n PRO 169 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bws n HIS 170 N -1.20 0.00 -1.79 6.00 8.25 -1.26 -4.85 115.22 120.38 1bws n HIS 170 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 1bws n HIS 170 Cb 0.44 -1.96 0.18 0.00 1.12 0.00 0.00 29.99 29.76 1bws n HIS 170 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1bws s ASP 171 N -2.77 3.05 -0.64 0.41 -1.08 -0.98 -4.44 116.67 110.22 1bws s ASP 171 Ca 0.00 0.44 -0.20 0.00 -0.52 0.00 0.00 52.55 52.27 1bws s ASP 171 Cb 0.00 -0.61 0.10 0.00 -1.46 0.00 0.00 42.92 40.95 1bws s ASP 171 CO 0.00 -2.79 0.79 0.21 0.52 0.00 0.00 175.17 173.91 1bws s ASN 172 N -4.66 6.23 -1.49 -0.34 3.04 -1.26 -4.97 114.94 111.49 1bws s ASN 172 Ca 0.71 -1.42 -0.12 0.00 0.04 0.00 0.00 52.86 52.07 1bws s ASN 172 Cb -0.06 -2.33 0.01 0.00 -1.54 0.00 0.00 41.25 37.33 1bws s ASN 172 CO 0.53 -1.17 2.47 0.49 -3.04 0.00 0.00 177.10 176.38 1bws n PHE 173 N 6.57 3.03 -5.05 0.43 3.01 -1.26 -4.72 117.46 119.47 1bws n PHE 173 Ca -0.05 -2.99 -0.28 0.00 1.01 0.00 0.00 57.45 55.13 1bws n PHE 173 Cb 0.44 -2.44 -0.16 0.00 -0.01 0.00 0.00 39.48 37.31 1bws n PHE 173 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1bws s HIS 174 N 2.31 1.97 -1.90 1.38 3.76 -1.26 -4.81 115.29 116.74 1bws s HIS 174 Ca 0.55 -0.44 0.19 0.00 -0.15 0.00 0.00 55.06 55.21 1bws s HIS 174 Cb 0.15 -1.28 1.12 0.00 1.11 0.00 0.00 32.58 33.68 1bws s HIS 174 CO -0.07 -0.08 1.55 -0.35 -0.85 0.00 0.00 174.74 174.94 1bws n PRO 175 N 2.70 0.54 0.16 8.40 -0.04 -1.26 -1.11 135.00 144.40 1bws n PRO 175 Ca -0.16 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1bws n PRO 175 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1bws n PRO 175 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1bws h SER 176 N 0.00 0.00 -3.70 3.54 0.02 -1.92 -3.47 113.55 108.03 1bws h SER 176 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1bws h SER 176 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1bws h SER 176 CO 0.00 0.34 0.40 0.21 -1.14 0.00 0.00 176.83 176.64 1bws s ASN 177 N -6.37 7.48 0.00 3.07 3.84 -0.27 -4.97 114.94 117.72 1bws s ASN 177 Ca 0.05 2.01 0.02 0.00 0.21 0.00 0.00 52.86 55.15 1bws s ASN 177 Cb 0.07 -2.61 0.10 0.00 -0.55 0.00 0.00 41.25 38.25 1bws s ASN 177 CO 0.72 -0.01 0.84 -1.20 -2.79 0.00 0.00 177.10 174.66 1bws n SER 178 N 1.80 0.00 -4.39 -4.21 7.64 -1.26 -4.61 113.62 108.60 1bws n SER 178 Ca -0.00 -1.48 -0.35 0.00 1.01 0.00 0.00 58.87 58.04 1bws n SER 178 Cb 0.47 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1bws n SER 178 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1bws s HIS 179 N -2.00 3.00 0.14 1.43 3.76 -1.26 -4.84 115.29 115.52 1bws s HIS 179 Ca 0.02 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 54.09 1bws s HIS 179 Cb 0.01 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1bws s HIS 179 CO 0.02 -0.38 1.69 0.28 -0.85 0.00 0.00 174.74 175.49 1bws h VAL 180 N 5.54 0.71 0.39 -0.90 2.07 -1.97 0.84 116.25 122.94 1bws h VAL 180 Ca -0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1bws h VAL 180 Cb 1.17 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1bws h VAL 180 CO 0.60 0.00 -0.36 0.40 0.02 0.00 0.00 177.57 178.23 1bws h ILE 181 N -0.01 0.26 -0.60 4.57 2.04 -1.96 0.93 117.51 122.74 1bws h ILE 181 Ca 0.13 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 1bws h ILE 181 Cb 0.21 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1bws h ILE 181 CO -0.28 0.00 0.06 1.55 0.00 0.00 0.00 178.15 179.48 1bws h PRO 182 N -0.77 1.01 -0.33 2.37 0.13 -1.88 0.87 132.00 133.40 1bws h PRO 182 Ca -0.03 -0.29 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1bws h PRO 182 Cb 0.68 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1bws h PRO 182 CO -0.05 0.97 0.20 0.00 -0.23 0.00 0.00 178.00 178.89 1bws h ALA 183 N 1.00 0.41 -0.07 -0.56 0.00 -0.69 -1.31 119.26 118.05 1bws h ALA 183 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1bws h ALA 183 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bws h ALA 183 CO 0.02 -0.16 -0.72 -0.07 0.00 0.00 0.00 179.25 178.32 1bws h LEU 184 N 0.40 0.41 -0.48 0.00 3.38 0.12 -0.22 115.31 118.92 1bws h LEU 184 Ca 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1bws h LEU 184 Cb -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1bws h LEU 184 CO -0.05 1.00 0.10 -0.07 0.09 0.00 0.00 178.44 179.51 1bws h LEU 185 N 0.23 0.74 -0.30 1.67 3.38 0.87 -1.14 115.31 120.77 1bws h LEU 185 Ca -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1bws h LEU 185 Cb 1.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1bws h LEU 185 CO 0.12 0.80 0.01 -0.09 0.09 0.00 0.00 178.44 179.36 1bws h ARG 186 N 0.66 0.52 -0.17 1.13 9.65 -1.08 -2.01 114.38 123.07 1bws h ARG 186 Ca 0.15 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1bws h ARG 186 Cb 0.36 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1bws h ARG 186 CO 0.01 0.66 -0.00 0.00 2.80 0.00 0.00 179.97 183.43 1bws h ARG 187 N 0.32 0.05 -0.11 0.20 3.08 -0.88 -1.98 114.38 115.06 1bws h ARG 187 Ca 0.09 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1bws h ARG 187 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1bws h ARG 187 CO 0.01 0.03 -0.24 0.74 -1.07 0.00 0.00 179.97 179.44 1bws h PHE 188 N 0.05 0.20 0.30 3.04 0.04 -1.22 -0.94 116.94 118.41 1bws h PHE 188 Ca 0.08 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1bws h PHE 188 Cb 0.10 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1bws h PHE 188 CO -0.17 0.42 -0.15 1.25 -0.60 0.00 0.00 178.31 179.07 1bws h HIS 189 N 0.17 -0.38 -0.36 -0.55 2.76 -1.03 0.11 115.15 115.88 1bws h HIS 189 Ca 0.03 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1bws h HIS 189 Cb 0.53 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 1bws h HIS 189 CO 0.01 -0.20 0.18 0.93 -1.30 0.00 0.00 177.93 177.55 1bws h GLU 190 N -0.46 0.51 -0.95 5.26 4.39 -1.20 -1.78 114.58 120.35 1bws h GLU 190 Ca -0.04 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1bws h GLU 190 Cb 0.35 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1bws h GLU 190 CO 0.07 0.45 0.60 0.00 -1.16 0.00 0.00 179.01 178.97 1bws h ALA 191 N 1.03 1.21 -0.65 3.43 0.00 -1.11 0.45 119.26 123.62 1bws h ALA 191 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1bws h ALA 191 Cb 0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1bws h ALA 191 CO -0.02 0.63 0.14 1.15 0.00 0.00 0.00 179.25 181.16 1bws h THR 192 N 1.30 1.25 -0.06 0.00 2.02 -0.50 -1.56 112.91 115.36 1bws h THR 192 Ca 0.34 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 1bws h THR 192 Cb -0.10 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1bws h THR 192 CO -0.07 0.36 -0.47 0.00 0.37 0.00 0.00 175.52 175.71 1bws h ALA 193 N 1.17 1.11 -0.49 6.16 0.00 -0.52 -2.83 119.26 123.86 1bws h ALA 193 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bws h ALA 193 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bws h ALA 193 CO 0.00 0.62 0.00 1.04 0.00 0.00 0.00 179.25 180.91 1bws n GLN 194 N -3.98 2.17 -3.45 0.00 6.02 0.07 -4.93 117.38 113.28 1bws n GLN 194 Ca -0.02 -1.82 -0.25 0.00 -0.01 0.00 0.00 57.00 54.90 1bws n GLN 194 Cb 0.51 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.38 1bws n GLN 194 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bws n ASN 195 N 0.98 -4.48 -4.68 1.08 0.23 -0.90 -4.91 115.26 102.58 1bws n ASN 195 Ca 0.17 -0.48 -0.45 0.00 -0.53 0.00 0.00 54.58 53.29 1bws n ASN 195 Cb 0.43 -3.65 -0.03 0.00 -2.08 0.00 0.00 39.78 34.45 1bws n ASN 195 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bws n ALA 196 N -3.84 1.58 0.18 -2.53 0.00 -0.64 -4.88 120.51 110.38 1bws n ALA 196 Ca -0.02 0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.91 1bws n ALA 196 Cb 0.55 -2.36 0.22 0.00 0.00 0.00 0.00 19.45 17.87 1bws n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bws h PRO 197 N 5.35 0.00 -3.44 0.00 0.14 -1.91 -3.40 132.00 128.74 1bws h PRO 197 Ca -0.45 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.67 1bws h PRO 197 Cb 1.25 0.00 -0.08 0.00 0.14 0.00 0.00 31.00 32.31 1bws h PRO 197 CO 0.84 0.36 -0.01 0.16 0.14 0.00 0.00 178.00 179.49 1bws s ASP 198 N -6.35 -0.15 -0.08 1.44 1.47 -1.26 -0.82 116.67 110.92 1bws s ASP 198 Ca 0.02 -0.79 0.00 0.00 1.18 0.00 0.00 52.55 52.97 1bws s ASP 198 Cb 0.09 0.62 0.02 0.00 -0.34 0.00 0.00 42.92 43.31 1bws s ASP 198 CO 0.70 -1.18 -0.06 -0.69 0.68 0.00 0.00 175.17 174.61 1bws s VAL 199 N -3.97 0.79 -0.17 2.11 1.01 -0.64 -4.89 120.40 114.63 1bws s VAL 199 Ca 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1bws s VAL 199 Cb -0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1bws s VAL 199 CO 0.07 0.30 0.09 -0.69 0.00 0.00 0.00 175.10 174.88 1bws s VAL 200 N 1.30 5.10 -0.16 2.92 1.01 -1.26 -1.58 120.40 127.73 1bws s VAL 200 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1bws s VAL 200 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1bws s VAL 200 CO -0.03 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1bws s VAL 201 N 0.09 2.61 0.39 2.92 1.01 0.07 -4.98 120.40 122.50 1bws s VAL 201 Ca 0.07 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 1bws s VAL 201 Cb -0.12 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.05 1bws s VAL 201 CO -0.00 0.51 1.45 0.79 0.00 0.00 0.00 175.10 177.85 1bws n TRP 202 N 4.19 2.84 0.00 5.22 5.03 -1.26 -0.98 117.44 132.49 1bws n TRP 202 Ca -0.19 0.46 0.00 0.00 3.03 0.00 0.00 57.50 60.79 1bws n TRP 202 Cb 0.51 -2.50 0.00 0.00 -1.03 0.00 0.00 31.31 28.29 1bws n TRP 202 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1bws n GLY 203 N 0.52 1.96 0.15 6.99 0.00 0.19 -4.74 105.19 110.27 1bws n GLY 203 Ca 0.02 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 1bws n GLY 203 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bws h SER 204 N 0.00 0.11 0.00 1.61 4.64 -1.77 -2.98 113.55 115.15 1bws h SER 204 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1bws h SER 204 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1bws h SER 204 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1bws n GLY 205 N 0.18 0.91 0.20 -0.77 0.00 -1.26 -4.90 105.19 99.54 1bws n GLY 205 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1bws n GLY 205 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bws h THR 206 N 0.00 0.00 -3.90 2.61 1.35 -1.97 -1.88 112.91 109.12 1bws h THR 206 Ca 0.00 -0.99 -0.52 0.00 -0.55 0.00 0.00 66.41 64.35 1bws h THR 206 Cb 0.00 1.89 0.06 0.00 -1.73 0.00 0.00 68.15 68.37 1bws h THR 206 CO 0.00 0.00 0.60 -2.84 -0.25 0.00 0.00 175.52 173.03 1bws s PRO 207 N -3.24 4.22 -0.16 4.72 0.02 -1.26 -4.79 135.00 134.51 1bws s PRO 207 Ca 0.06 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.03 1bws s PRO 207 Cb 0.06 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 1bws s PRO 207 CO 0.69 -0.27 0.37 -1.64 -0.33 0.00 0.00 177.00 175.82 1bws s MET 208 N -1.98 4.27 0.16 5.54 -1.94 0.15 -1.90 119.30 123.60 1bws s MET 208 Ca 0.52 0.22 0.01 0.00 -1.71 0.00 0.00 55.69 54.73 1bws s MET 208 Cb -0.37 -3.45 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1bws s MET 208 CO 0.48 0.16 0.02 1.03 -0.01 0.00 0.00 175.02 176.70 1bws s ARG 209 N 0.68 1.04 -0.00 2.03 1.81 -0.13 -1.77 118.95 122.60 1bws s ARG 209 Ca 0.20 -1.50 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 1bws s ARG 209 Cb -0.14 -0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 1bws s ARG 209 CO 0.06 -0.17 -0.18 -2.00 -0.68 0.00 0.00 175.30 172.33 1bws s GLU 210 N -3.96 2.23 0.02 3.54 2.12 -1.20 -1.50 118.70 119.96 1bws s GLU 210 Ca 0.24 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.71 1bws s GLU 210 Cb 0.07 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1bws s GLU 210 CO 0.03 0.57 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.22 1bws s PHE 211 N -0.79 0.40 -0.02 5.30 0.08 -1.26 -3.74 117.98 117.95 1bws s PHE 211 Ca 0.12 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.82 1bws s PHE 211 Cb -0.10 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.12 1bws s PHE 211 CO 0.02 -0.09 0.04 -1.17 -0.10 0.00 0.00 175.22 173.92 1bws s LEU 212 N -1.03 1.24 0.23 -0.37 2.96 0.10 -4.68 118.68 117.14 1bws s LEU 212 Ca -0.08 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.59 1bws s LEU 212 Cb -0.07 0.00 -0.09 0.00 0.50 0.00 0.00 46.19 46.53 1bws s LEU 212 CO -0.00 -0.10 1.37 -2.28 -1.32 0.00 0.00 176.35 174.02 1bws s HIS 213 N 0.84 3.14 0.62 5.38 5.65 -1.26 -1.80 115.29 127.84 1bws s HIS 213 Ca -0.07 1.13 0.30 0.00 0.25 0.00 0.00 55.06 56.67 1bws s HIS 213 Cb -0.10 -3.71 1.60 0.00 -1.18 0.00 0.00 32.58 29.19 1bws s HIS 213 CO -0.03 -2.26 1.97 -0.24 -0.65 0.00 0.00 174.74 173.53 1bws h VAL 214 N 3.62 0.26 0.00 0.89 3.04 -1.09 -0.71 116.25 122.27 1bws h VAL 214 Ca -0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1bws h VAL 214 Cb 1.22 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1bws h VAL 214 CO 0.77 0.00 -0.54 0.44 -1.01 0.00 0.00 177.57 177.23 1bws h ASP 215 N 0.00 0.00 0.18 3.17 3.32 -1.90 -0.17 116.42 121.02 1bws h ASP 215 Ca 0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.92 1bws h ASP 215 Cb 0.81 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.37 1bws h ASP 215 CO -0.00 0.54 -0.96 0.44 -1.72 0.00 0.00 179.24 177.54 1bws h ASP 216 N 0.00 0.70 -0.72 6.45 3.32 -1.53 -1.52 116.42 123.12 1bws h ASP 216 Ca -0.01 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 1bws h ASP 216 Cb 1.20 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1bws h ASP 216 CO 0.07 1.34 0.39 -0.03 -1.72 0.00 0.00 179.24 179.30 1bws h MET 217 N 0.32 1.00 -0.49 3.56 1.85 -0.69 -0.63 114.93 119.84 1bws h MET 217 Ca -0.09 -0.12 -0.05 0.00 -0.61 0.00 0.00 59.70 58.83 1bws h MET 217 Cb 1.59 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 33.41 1bws h MET 217 CO 0.18 0.75 0.10 0.00 -0.40 0.00 0.00 176.91 177.54 1bws h ALA 218 N 1.20 0.65 -0.71 0.39 0.00 -0.91 -1.82 119.26 118.06 1bws h ALA 218 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bws h ALA 218 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1bws h ALA 218 CO -0.04 0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.88 1bws h ALA 219 N 0.98 1.21 -0.31 0.00 0.00 -0.70 -2.60 119.26 117.84 1bws h ALA 219 Ca 0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1bws h ALA 219 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bws h ALA 219 CO 0.00 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 1bws h ALA 220 N 1.32 0.84 -0.19 0.00 0.00 -0.82 -2.00 119.26 118.41 1bws h ALA 220 Ca 0.24 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bws h ALA 220 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bws h ALA 220 CO -0.03 0.64 0.06 0.77 0.00 0.00 0.00 179.25 180.70 1bws h SER 221 N 0.56 0.28 -0.32 0.00 0.02 -1.05 0.15 113.55 113.19 1bws h SER 221 Ca 0.06 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1bws h SER 221 Cb 0.84 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1bws h SER 221 CO 0.07 0.40 -0.07 0.40 -1.14 0.00 0.00 176.83 176.49 1bws h ILE 222 N 0.14 1.25 -0.23 3.27 2.04 -1.46 0.54 117.51 123.06 1bws h ILE 222 Ca 0.06 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1bws h ILE 222 Cb 0.22 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1bws h ILE 222 CO -0.00 0.37 0.05 -0.74 0.00 0.00 0.00 178.15 177.83 1bws h HIS 223 N 0.66 0.38 -0.37 1.37 2.76 -1.15 -0.74 115.15 118.07 1bws h HIS 223 Ca 0.12 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1bws h HIS 223 Cb 0.52 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1bws h HIS 223 CO 0.02 0.47 -0.03 0.28 -1.30 0.00 0.00 177.93 177.38 1bws h VAL 224 N 0.18 1.27 -0.74 5.26 2.07 -0.65 -2.35 116.25 121.29 1bws h VAL 224 Ca 0.07 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1bws h VAL 224 Cb 0.28 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1bws h VAL 224 CO 0.00 0.35 0.42 -0.03 0.02 0.00 0.00 177.57 178.33 1bws h MET 225 N 0.48 0.72 -0.01 1.57 -1.53 0.17 -3.07 114.93 113.26 1bws h MET 225 Ca 0.10 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 1bws h MET 225 Cb 0.51 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 1bws h MET 225 CO 0.02 0.48 -0.07 0.39 0.14 0.00 0.00 176.91 177.87 1bws n GLU 226 N -4.76 1.33 -0.91 0.39 1.02 -0.29 -4.89 120.64 112.53 1bws n GLU 226 Ca 0.11 -0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 56.22 1bws n GLU 226 Cb 0.21 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.29 1bws n GLU 226 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bws s LEU 227 N -2.16 2.96 0.33 -4.62 1.02 -0.92 -4.95 118.68 110.35 1bws s LEU 227 Ca 0.35 2.19 -0.28 0.00 0.02 0.00 0.00 54.13 56.41 1bws s LEU 227 Cb 0.21 -4.57 -0.09 0.00 0.02 0.00 0.00 46.19 41.76 1bws s LEU 227 CO 0.39 -2.82 1.12 0.00 0.02 0.00 0.00 176.35 175.06 1bws s ALA 228 N -2.53 3.31 0.22 4.21 0.00 -1.26 -4.87 121.76 120.84 1bws s ALA 228 Ca 0.68 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 53.46 1bws s ALA 228 Cb -0.24 -3.34 0.35 0.00 0.00 0.00 0.00 23.12 19.90 1bws s ALA 228 CO 0.55 -0.28 1.67 1.25 0.00 0.00 0.00 175.76 178.96 1bws h HIS 229 N 3.32 0.07 -0.87 0.00 2.76 -1.96 -0.12 115.15 118.35 1bws h HIS 229 Ca -0.48 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 57.78 1bws h HIS 229 Cb 1.22 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 30.20 1bws h HIS 229 CO 0.58 -0.14 0.56 1.05 -1.30 0.00 0.00 177.93 178.68 1bws h GLU 230 N 0.17 1.05 -0.43 5.26 -0.00 -2.00 0.26 114.58 118.90 1bws h GLU 230 Ca 0.36 -0.06 -0.14 0.00 -0.00 0.00 0.00 59.36 59.51 1bws h GLU 230 Cb 0.59 -0.24 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1bws h GLU 230 CO -0.52 0.70 -0.28 0.28 -0.00 0.00 0.00 179.01 179.19 1bws h VAL 231 N 1.09 1.27 -0.50 -1.06 2.07 -1.70 -2.27 116.25 115.15 1bws h VAL 231 Ca 0.35 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1bws h VAL 231 Cb 0.02 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1bws h VAL 231 CO -0.12 0.49 0.16 -0.25 0.02 0.00 0.00 177.57 177.87 1bws h TRP 232 N 0.79 0.79 -0.64 1.57 7.01 0.13 -2.29 115.95 123.31 1bws h TRP 232 Ca 0.09 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1bws h TRP 232 Cb 0.85 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1bws h TRP 232 CO 0.05 0.69 0.24 -0.07 -2.79 0.00 0.00 178.44 176.55 1bws h LEU 233 N 0.67 0.91 -1.57 0.65 3.38 -0.48 -1.88 115.31 116.98 1bws h LEU 233 Ca 0.16 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.08 1bws h LEU 233 Cb 0.26 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1bws h LEU 233 CO -0.01 0.85 0.49 -0.08 0.09 0.00 0.00 178.44 179.78 1bws h GLU 234 N 0.91 0.43 -0.53 1.13 4.81 -1.32 -1.39 114.58 118.62 1bws h GLU 234 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1bws h GLU 234 Cb 0.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bws h GLU 234 CO -0.01 0.28 0.00 0.09 -0.73 0.00 0.00 179.01 178.64 1bws n ASN 235 N -4.48 3.54 -3.21 1.04 3.02 -0.76 -4.98 115.26 109.42 1bws n ASN 235 Ca 0.14 -1.99 -0.19 0.00 -0.03 0.00 0.00 54.58 52.51 1bws n ASN 235 Cb 0.49 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1bws n ASN 235 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bws n THR 236 N 1.48 0.00 -4.47 3.41 -2.24 -0.52 -5.05 114.28 106.89 1bws n THR 236 Ca 0.21 -2.25 -0.23 0.00 -2.27 0.00 0.00 64.05 59.51 1bws n THR 236 Cb 0.59 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.74 1bws n THR 236 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bws s GLN 237 N -3.30 1.16 0.55 -0.78 1.11 -1.06 -4.87 119.66 112.47 1bws s GLN 237 Ca 0.33 -0.90 0.24 0.00 0.01 0.00 0.00 55.36 55.04 1bws s GLN 237 Cb 0.02 -1.25 1.54 0.00 -1.01 0.00 0.00 33.01 32.31 1bws s GLN 237 CO 0.23 0.31 2.19 -1.35 0.01 0.00 0.00 175.29 176.68 1bws h PRO 238 N 4.78 0.00 -0.61 2.91 0.11 -1.98 -0.43 132.00 136.79 1bws h PRO 238 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1bws h PRO 238 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bws h PRO 238 CO 0.43 0.02 0.00 -1.33 -0.21 0.00 0.00 178.00 176.91 1bws n MET 239 N -4.11 2.89 -3.03 1.05 2.81 -1.26 -4.40 117.12 111.07 1bws n MET 239 Ca -0.03 -2.53 -0.16 0.00 -1.81 0.00 0.00 57.70 53.18 1bws n MET 239 Cb 0.11 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1bws n MET 239 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1bws n LEU 240 N 1.23 -0.40 0.11 4.03 -0.00 -0.28 -5.01 117.00 116.68 1bws n LEU 240 Ca 0.21 -4.49 0.12 0.00 -0.00 0.00 0.00 56.01 51.85 1bws n LEU 240 Cb 0.60 0.78 0.08 0.00 -0.00 0.00 0.00 43.42 44.88 1bws n LEU 240 CO 0.15 2.18 0.25 0.77 -0.00 0.00 0.00 177.39 180.74 1bws h SER 241 N 3.21 0.00 -3.82 1.96 4.64 -1.48 -2.81 113.55 115.26 1bws h SER 241 Ca 0.02 -0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 60.83 1bws h SER 241 Cb 1.00 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.26 1bws h SER 241 CO 0.38 0.03 0.17 -1.38 -0.87 0.00 0.00 176.83 175.16 1bws s HIS 242 N -3.29 1.95 -0.10 4.77 -3.43 -1.26 -4.57 115.29 109.36 1bws s HIS 242 Ca 0.03 1.18 -0.02 0.00 -0.80 0.00 0.00 55.06 55.44 1bws s HIS 242 Cb 0.10 -3.19 0.04 0.00 -1.43 0.00 0.00 32.58 28.09 1bws s HIS 242 CO 0.75 -2.97 0.04 0.42 -2.00 0.00 0.00 174.74 170.98 1bws s ILE 243 N -2.81 0.15 0.41 -5.38 1.01 -0.45 -4.98 121.20 109.15 1bws s ILE 243 Ca 0.66 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 61.10 1bws s ILE 243 Cb -0.20 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.67 1bws s ILE 243 CO 0.59 0.06 1.35 0.59 0.00 0.00 0.00 174.94 177.53 1bws n ASN 244 N 5.21 3.01 -3.96 3.58 3.02 -1.26 -1.48 115.26 123.38 1bws n ASN 244 Ca -0.06 1.15 -0.27 0.00 -0.03 0.00 0.00 54.58 55.37 1bws n ASN 244 Cb 0.49 -1.54 -0.17 0.00 -0.61 0.00 0.00 39.78 37.95 1bws n ASN 244 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bws s VAL 245 N -1.16 1.19 0.00 2.41 1.01 0.16 -4.64 120.40 119.37 1bws s VAL 245 Ca 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bws s VAL 245 Cb -0.50 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1bws s VAL 245 CO 0.60 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.70 1bws n GLY 246 N 4.69 0.63 0.06 4.51 0.00 -1.26 -1.05 105.19 112.76 1bws n GLY 246 Ca -0.15 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 1bws n GLY 246 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bws n THR 247 N 0.00 0.77 -1.10 2.61 -2.24 -1.26 -4.69 114.28 108.36 1bws n THR 247 Ca 0.00 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 61.06 1bws n THR 247 Cb 0.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1bws n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bws n GLY 248 N 1.56 0.64 3.40 3.38 0.00 -1.26 -4.93 105.19 107.99 1bws n GLY 248 Ca -0.20 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1bws n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bws s VAL 249 N -2.01 2.69 0.43 1.61 1.01 -1.26 -4.96 120.40 117.91 1bws s VAL 249 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1bws s VAL 249 Cb 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 1bws s VAL 249 CO 0.00 0.58 0.78 -1.81 0.00 0.00 0.00 175.10 174.65 1bws s ASP 250 N -0.57 6.45 -0.23 3.32 1.01 -1.26 -4.47 116.67 120.92 1bws s ASP 250 Ca 0.08 1.09 -0.12 0.00 0.71 0.00 0.00 52.55 54.31 1bws s ASP 250 Cb -0.11 -2.31 0.08 0.00 1.01 0.00 0.00 42.92 41.59 1bws s ASP 250 CO 0.01 -0.45 0.55 0.00 0.21 0.00 0.00 175.17 175.48 1bws s THR 252 N 1.79 2.73 0.31 0.00 -4.23 -1.26 -0.96 115.64 114.02 1bws s THR 252 Ca -0.08 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1bws s THR 252 Cb -0.08 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.27 1bws s THR 252 CO -0.16 -0.26 1.93 0.40 -0.54 0.00 0.00 174.62 175.99 1bws h ILE 253 N -0.78 1.20 -0.01 2.99 1.08 -1.28 -0.94 117.51 119.76 1bws h ILE 253 Ca -0.45 -0.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 1bws h ILE 253 Cb 1.26 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1bws h ILE 253 CO 0.49 0.23 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.96 1bws h ARG 254 N 0.93 -0.21 -0.44 2.37 2.43 -1.64 0.29 114.38 118.10 1bws h ARG 254 Ca 0.23 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 1bws h ARG 254 Cb 0.04 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1bws h ARG 254 CO -0.04 -0.14 0.06 0.22 -1.51 0.00 0.00 179.97 178.57 1bws h ASP 255 N -0.22 -0.05 0.15 -3.80 3.58 -1.74 -0.63 116.42 113.72 1bws h ASP 255 Ca 0.05 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1bws h ASP 255 Cb 0.29 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1bws h ASP 255 CO -0.14 0.01 -0.11 0.25 -2.88 0.00 0.00 179.24 176.37 1bws h LEU 256 N 0.19 -0.28 -0.56 2.28 5.85 -0.40 -0.16 115.31 122.23 1bws h LEU 256 Ca 0.22 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1bws h LEU 256 Cb 0.29 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1bws h LEU 256 CO -0.31 -0.17 0.36 0.00 -0.34 0.00 0.00 178.44 177.98 1bws h ALA 257 N 0.57 0.71 -0.06 1.25 0.00 -0.16 0.16 119.26 121.73 1bws h ALA 257 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1bws h ALA 257 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bws h ALA 257 CO 0.00 0.12 -0.60 1.96 0.00 0.00 0.00 179.25 180.73 1bws h GLN 258 N 0.73 0.20 -0.33 0.00 1.08 -1.03 -0.40 115.11 115.36 1bws h GLN 258 Ca 0.21 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1bws h GLN 258 Cb -0.05 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1bws h GLN 258 CO -0.06 0.74 -0.21 1.15 -0.95 0.00 0.00 178.83 179.50 1bws h THR 259 N 0.15 1.29 -0.52 -0.54 2.02 -0.54 -2.20 112.91 112.57 1bws h THR 259 Ca -0.01 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1bws h THR 259 Cb 1.10 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 1bws h THR 259 CO 0.09 0.44 0.32 0.40 0.37 0.00 0.00 175.52 177.14 1bws h ILE 260 N 0.49 1.15 -0.45 3.11 2.04 -0.53 0.57 117.51 123.90 1bws h ILE 260 Ca 0.07 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.68 1bws h ILE 260 Cb 0.76 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1bws h ILE 260 CO 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.32 1bws h ALA 261 N 1.16 0.37 -0.69 1.87 0.00 -0.93 0.21 119.26 121.24 1bws h ALA 261 Ca 0.19 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1bws h ALA 261 Cb -0.03 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1bws h ALA 261 CO -0.04 -0.42 0.18 -0.22 0.00 0.00 0.00 179.25 178.76 1bws h LYS 262 N 0.06 1.08 -0.68 0.00 3.64 -1.06 -1.99 116.57 117.62 1bws h LYS 262 Ca 0.22 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1bws h LYS 262 Cb 0.33 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1bws h LYS 262 CO -0.41 0.94 0.30 0.28 -2.27 0.00 0.00 179.45 178.30 1bws h VAL 263 N 1.03 1.23 0.00 2.00 2.07 0.16 -2.86 116.25 119.89 1bws h VAL 263 Ca 0.22 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1bws h VAL 263 Cb 0.34 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1bws h VAL 263 CO -0.00 0.28 -0.13 0.52 0.02 0.00 0.00 177.57 178.26 1bws n VAL 264 N -4.32 0.08 -0.84 2.57 0.31 0.04 -4.89 118.33 111.27 1bws n VAL 264 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1bws n VAL 264 Cb 0.15 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1bws n VAL 264 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bws n GLY 265 N 1.47 0.50 3.74 2.92 0.00 -1.05 -4.98 105.19 107.79 1bws n GLY 265 Ca 0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1bws n GLY 265 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bws s TYR 266 N -2.00 3.08 -0.39 1.61 5.04 -0.77 -4.95 117.35 118.96 1bws s TYR 266 Ca 0.00 0.98 0.04 0.00 -2.44 0.00 0.00 57.07 55.65 1bws s TYR 266 Cb 0.00 -3.79 0.05 0.00 0.35 0.00 0.00 41.96 38.57 1bws s TYR 266 CO 0.00 -2.65 0.78 1.63 -1.34 0.00 0.00 175.55 173.96 1bws n LYS 267 N 2.77 0.71 0.00 4.97 5.02 -1.26 -4.71 118.16 125.65 1bws n LYS 267 Ca 0.08 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1bws n LYS 267 Cb 0.40 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1bws n LYS 267 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bws n GLY 268 N 0.07 -1.07 3.60 0.72 0.00 -1.26 -5.05 105.19 102.20 1bws n GLY 268 Ca 0.03 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1bws n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bws s ARG 269 N -0.55 3.74 -0.07 1.61 0.52 0.00 -4.96 118.95 119.24 1bws s ARG 269 Ca 0.00 -0.40 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 1bws s ARG 269 Cb 0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1bws s ARG 269 CO 0.00 0.33 0.62 0.08 0.02 0.00 0.00 175.30 176.35 1bws s VAL 270 N 0.17 5.06 -0.03 3.52 1.01 -1.26 -1.62 120.40 127.25 1bws s VAL 270 Ca 0.02 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1bws s VAL 270 Cb -0.13 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1bws s VAL 270 CO 0.01 0.30 -0.12 -0.69 0.00 0.00 0.00 175.10 174.60 1bws s VAL 271 N 0.58 1.03 -0.20 2.92 1.01 -0.61 -4.96 120.40 120.17 1bws s VAL 271 Ca 0.33 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1bws s VAL 271 Cb -0.17 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1bws s VAL 271 CO 0.16 0.31 0.06 -0.36 0.00 0.00 0.00 175.10 175.26 1bws s PHE 272 N 0.07 3.19 -0.82 5.22 0.40 -1.26 -0.75 117.98 124.02 1bws s PHE 272 Ca -0.02 -0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.06 1bws s PHE 272 Cb -0.09 -2.12 0.14 0.00 0.51 0.00 0.00 43.02 41.47 1bws s PHE 272 CO 0.01 0.01 0.95 0.34 0.70 0.00 0.00 175.22 177.23 1bws s ASP 273 N 0.71 6.54 0.00 1.36 -1.08 -0.15 -4.85 116.67 119.21 1bws s ASP 273 Ca 0.03 -2.01 0.21 0.00 -0.52 0.00 0.00 52.55 50.27 1bws s ASP 273 Cb -0.13 -2.34 1.24 0.00 -1.46 0.00 0.00 42.92 40.23 1bws s ASP 273 CO 0.02 -0.98 1.65 0.00 0.52 0.00 0.00 175.17 176.38 1bws n ALA 274 N 5.98 2.26 0.74 3.66 0.00 -1.24 -0.63 120.51 131.27 1bws n ALA 274 Ca 0.13 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1bws n ALA 274 Cb 0.47 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 19.01 1bws n ALA 274 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bws n SER 275 N -1.04 0.00 -4.88 0.00 3.41 -1.26 -4.62 113.62 105.24 1bws n SER 275 Ca 0.15 0.36 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 1bws n SER 275 Cb 0.09 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1bws n SER 275 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bws s LYS 276 N -2.88 3.46 0.72 4.33 -0.14 -0.11 -5.00 119.74 120.12 1bws s LYS 276 Ca 0.12 -0.13 -0.16 0.00 -1.36 0.00 0.00 55.97 54.45 1bws s LYS 276 Cb 0.13 -3.20 0.03 0.00 -1.68 0.00 0.00 37.83 33.11 1bws s LYS 276 CO 0.34 0.77 1.22 -1.25 -0.76 0.00 0.00 175.35 175.67 1bws s PRO 277 N -1.00 2.21 0.41 -1.68 0.04 -1.26 -3.76 135.00 129.95 1bws s PRO 277 Ca 0.15 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1bws s PRO 277 Cb -0.12 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1bws s PRO 277 CO 0.04 -1.80 0.44 -0.51 0.04 0.00 0.00 177.00 175.21 1bws s ASP 278 N -1.91 5.30 0.00 6.66 1.01 -1.26 -4.59 116.67 121.88 1bws s ASP 278 Ca 0.76 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.42 1bws s ASP 278 Cb -0.31 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 42.97 1bws s ASP 278 CO 0.44 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.77 1bws n GLY 279 N -1.64 1.54 3.74 0.21 0.00 -1.26 -5.02 105.19 102.76 1bws n GLY 279 Ca 0.04 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 1bws n GLY 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bws s THR 280 N 1.89 3.02 0.28 2.61 -4.23 -1.26 -4.90 115.64 113.05 1bws s THR 280 Ca 0.00 0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.98 1bws s THR 280 Cb 0.00 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1bws s THR 280 CO 0.00 -0.43 1.72 -0.65 -0.54 0.00 0.00 174.62 174.72 1bws h PRO 281 N -1.32 0.00 -3.02 3.99 0.11 -1.95 -3.43 132.00 126.38 1bws h PRO 281 Ca -0.44 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 1bws h PRO 281 Cb 1.24 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.08 1bws h PRO 281 CO 0.50 0.46 -0.44 0.50 -0.21 0.00 0.00 178.00 178.81 1bws s ARG 282 N -3.80 0.26 -0.19 1.05 3.52 -1.26 0.32 118.95 118.86 1bws s ARG 282 Ca -0.01 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 56.03 1bws s ARG 282 Cb 0.13 -0.00 0.09 0.00 -1.56 0.00 0.00 34.95 33.61 1bws s ARG 282 CO 0.72 -0.11 0.24 0.21 -0.81 0.00 0.00 175.30 175.56 1bws s LYS 283 N 0.81 0.20 -0.11 5.12 2.20 -0.73 -4.94 119.74 122.29 1bws s LYS 283 Ca -0.05 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1bws s LYS 283 Cb -0.07 -0.93 0.11 0.00 -1.51 0.00 0.00 37.83 35.43 1bws s LYS 283 CO -0.05 -0.59 0.90 -0.48 -0.36 0.00 0.00 175.35 174.76 1bws s LEU 284 N 2.36 -0.44 0.30 5.43 2.34 -1.26 -3.22 118.68 124.19 1bws s LEU 284 Ca 0.07 0.41 -0.26 0.00 0.06 0.00 0.00 54.13 54.41 1bws s LEU 284 Cb -0.15 2.06 -0.10 0.00 -0.56 0.00 0.00 46.19 47.44 1bws s LEU 284 CO -0.12 -0.46 0.92 -0.76 -1.06 0.00 0.00 176.35 174.87 1bws s LEU 285 N -1.35 4.37 -0.33 1.48 1.43 -1.26 -0.50 118.68 122.51 1bws s LEU 285 Ca -0.03 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 1bws s LEU 285 Cb -0.00 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1bws s LEU 285 CO 0.02 -0.03 0.73 -0.62 0.23 0.00 0.00 176.35 176.68 1bws s ASP 286 N -1.57 6.56 -0.29 2.29 -1.08 -0.08 -4.07 116.67 118.43 1bws s ASP 286 Ca 0.48 0.44 0.10 0.00 -0.52 0.00 0.00 52.55 53.06 1bws s ASP 286 Cb -0.19 -2.38 0.57 0.00 -1.46 0.00 0.00 42.92 39.47 1bws s ASP 286 CO 0.24 -0.62 1.58 1.33 0.52 0.00 0.00 175.17 178.22 1bws n VAL 287 N 5.59 2.65 -0.12 1.11 0.24 -1.26 -4.68 118.33 121.87 1bws n VAL 287 Ca 0.02 -2.25 -0.05 0.00 -2.04 0.00 0.00 64.34 60.02 1bws n VAL 287 Cb 0.48 -0.33 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 1bws n VAL 287 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1bws h THR 288 N 1.45 0.66 -0.39 3.34 2.02 -1.93 -1.82 112.91 116.24 1bws h THR 288 Ca 0.24 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.48 1bws h THR 288 Cb 1.90 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.82 1bws h THR 288 CO 0.51 0.01 -0.19 0.03 0.37 0.00 0.00 175.52 176.25 1bws h ARG 289 N 0.06 -0.12 -0.16 6.66 3.08 -1.94 0.48 114.38 122.44 1bws h ARG 289 Ca 0.19 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1bws h ARG 289 Cb 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1bws h ARG 289 CO -0.36 -0.08 0.02 1.25 -1.07 0.00 0.00 179.97 179.74 1bws h LEU 290 N -0.12 -0.00 -0.94 3.04 6.46 -1.70 -0.99 115.31 121.06 1bws h LEU 290 Ca 0.19 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1bws h LEU 290 Cb 0.42 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1bws h LEU 290 CO -0.46 0.02 0.39 0.45 -0.62 0.00 0.00 178.44 178.22 1bws h HIS 291 N 0.09 1.14 -0.10 1.25 3.86 -0.95 -1.43 115.15 119.01 1bws h HIS 291 Ca 0.07 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1bws h HIS 291 Cb 0.07 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1bws h HIS 291 CO -0.13 0.82 -0.03 1.96 0.86 0.00 0.00 177.93 181.41 1bws h GLN 292 N 1.14 0.14 -0.03 2.45 4.20 -0.38 0.59 115.11 123.22 1bws h GLN 292 Ca 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1bws h GLN 292 Cb 0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1bws h GLN 292 CO -0.04 0.19 0.00 1.28 -0.67 0.00 0.00 178.83 179.60 1bws n LEU 293 N -4.41 0.77 -0.72 1.46 4.77 -0.42 -4.91 117.00 113.53 1bws n LEU 293 Ca -0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1bws n LEU 293 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bws n LEU 293 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1bws n GLY 294 N 1.05 0.65 2.88 -0.72 0.00 0.20 -5.06 105.19 104.19 1bws n GLY 294 Ca 0.19 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1bws n GLY 294 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bws s TRP 295 N -2.85 0.49 -0.03 1.61 -0.00 -0.88 -5.00 118.94 112.28 1bws s TRP 295 Ca 0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 56.10 56.02 1bws s TRP 295 Cb 0.00 -0.45 0.02 0.00 -0.00 0.00 0.00 33.47 33.04 1bws s TRP 295 CO 0.00 -0.11 -0.02 0.71 -0.00 0.00 0.00 176.95 177.53 1bws s TYR 296 N 0.66 0.46 0.70 5.86 1.51 -1.26 -3.72 117.35 121.55 1bws s TYR 296 Ca -0.07 -0.07 -0.16 0.00 -1.01 0.00 0.00 57.07 55.75 1bws s TYR 296 Cb -0.11 -0.46 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1bws s TYR 296 CO -0.01 -0.13 1.24 -3.38 -1.11 0.00 0.00 175.55 172.16 1bws s HIS 297 N 0.82 2.06 -0.06 2.71 -3.43 -1.26 -4.99 115.29 111.14 1bws s HIS 297 Ca -0.09 1.56 0.11 0.00 -0.80 0.00 0.00 55.06 55.84 1bws s HIS 297 Cb -0.12 -3.55 -0.17 0.00 -1.43 0.00 0.00 32.58 27.31 1bws s HIS 297 CO -0.01 -2.71 0.17 0.39 -2.00 0.00 0.00 174.74 170.58 1bws n GLU 298 N -2.42 1.15 -3.44 -0.38 1.02 -1.26 -4.99 120.64 110.32 1bws n GLU 298 Ca 0.14 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.83 1bws n GLU 298 Cb 0.49 -1.29 -0.09 0.00 -0.02 0.00 0.00 31.44 30.54 1bws n GLU 298 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bws s ILE 299 N -2.59 5.21 0.65 -3.67 1.01 -1.26 -5.07 121.20 115.48 1bws s ILE 299 Ca -0.05 0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 1bws s ILE 299 Cb 0.06 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1bws s ILE 299 CO 0.49 0.21 1.14 -0.94 0.00 0.00 0.00 174.94 175.84 1bws s SER 300 N 1.47 5.01 0.14 3.58 1.04 -1.26 -4.78 113.70 118.89 1bws s SER 300 Ca 0.14 2.15 -0.18 0.00 0.48 0.00 0.00 55.95 58.54 1bws s SER 300 Cb -0.15 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1bws s SER 300 CO 0.09 -1.70 1.74 0.25 0.98 0.00 0.00 173.24 174.60 1bws h LEU 301 N 0.23 0.04 0.17 2.42 5.85 -1.97 0.63 115.31 122.68 1bws h LEU 301 Ca -0.48 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1bws h LEU 301 Cb 1.26 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1bws h LEU 301 CO 0.54 0.06 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.38 1bws h GLU 302 N 0.18 -0.45 -0.07 1.25 4.57 -1.99 0.75 114.58 118.82 1bws h GLU 302 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1bws h GLU 302 Cb 0.12 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1bws h GLU 302 CO -0.16 -0.30 0.03 0.00 -1.18 0.00 0.00 179.01 177.40 1bws h ALA 303 N 0.25 0.08 -0.90 2.92 0.00 -1.76 -2.20 119.26 117.65 1bws h ALA 303 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bws h ALA 303 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1bws h ALA 303 CO -0.10 -0.44 0.58 0.78 0.00 0.00 0.00 179.25 180.07 1bws h GLY 304 N 0.07 1.32 1.14 0.00 0.00 0.50 -2.08 103.07 104.03 1bws h GLY 304 Ca 0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1bws h GLY 304 CO -0.02 0.36 -0.05 1.41 0.00 0.00 0.00 176.54 178.23 1bws h LEU 305 N 1.11 1.00 0.18 3.11 3.38 0.76 -1.70 115.31 123.15 1bws h LEU 305 Ca 0.36 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1bws h LEU 305 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1bws h LEU 305 CO -0.13 1.08 -0.19 0.00 0.09 0.00 0.00 178.44 179.29 1bws h ALA 306 N 1.01 -0.37 -0.17 1.53 0.00 -1.04 0.13 119.26 120.35 1bws h ALA 306 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1bws h ALA 306 Cb 0.61 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1bws h ALA 306 CO 0.04 -0.74 -0.26 0.66 0.00 0.00 0.00 179.25 178.95 1bws h SER 307 N -0.40 0.31 -0.40 0.00 4.64 -1.40 -2.82 113.55 113.49 1bws h SER 307 Ca 0.01 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 1bws h SER 307 Cb 0.39 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1bws h SER 307 CO -0.06 0.58 -0.24 0.74 -0.87 0.00 0.00 176.83 176.98 1bws h THR 308 N 0.28 1.28 -0.87 2.95 2.02 -1.00 -2.54 112.91 115.04 1bws h THR 308 Ca 0.04 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1bws h THR 308 Cb 0.62 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1bws h THR 308 CO 0.04 0.47 0.53 0.22 0.37 0.00 0.00 175.52 177.16 1bws h TYR 309 N 0.68 1.14 -0.49 3.16 3.20 -0.56 -1.99 116.97 122.12 1bws h TYR 309 Ca 0.08 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1bws h TYR 309 Cb 0.81 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1bws h TYR 309 CO 0.06 0.75 0.06 0.37 -1.64 0.00 0.00 178.16 177.77 1bws h GLN 310 N 1.20 0.77 -0.16 1.82 5.75 -1.37 0.19 115.11 123.32 1bws h GLN 310 Ca 0.31 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1bws h GLN 310 Cb -0.06 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1bws h GLN 310 CO -0.06 0.74 0.05 2.35 -2.65 0.00 0.00 178.83 179.26 1bws h TRP 311 N 0.74 0.26 -0.91 3.99 7.01 -1.01 0.70 115.95 126.72 1bws h TRP 311 Ca 0.16 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.21 1bws h TRP 311 Cb 0.36 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.27 1bws h TRP 311 CO 0.02 0.35 0.57 0.35 -2.79 0.00 0.00 178.44 176.94 1bws h PHE 312 N 0.09 1.04 -0.29 2.65 3.57 -0.86 -0.50 116.94 122.64 1bws h PHE 312 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1bws h PHE 312 Cb 0.21 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1bws h PHE 312 CO -0.00 0.49 0.10 -0.07 -2.23 0.00 0.00 178.31 176.60 1bws h LEU 313 N 0.99 0.42 0.00 0.59 3.38 0.32 -1.48 115.31 119.53 1bws h LEU 313 Ca 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1bws h LEU 313 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1bws h LEU 313 CO -0.20 0.49 0.00 -0.62 0.09 0.00 0.00 178.44 178.20 1bws n GLU 314 N -4.72 0.46 -1.20 1.13 1.02 0.23 -3.69 120.64 113.87 1bws n GLU 314 Ca -0.02 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1bws n GLU 314 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1bws n GLU 314 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1bws n ASN 315 N -1.10 0.66 -0.54 1.62 4.13 -0.31 -5.05 115.26 114.68 1bws n ASN 315 Ca 0.12 -1.99 0.14 0.00 1.68 0.00 0.00 54.58 54.52 1bws n ASN 315 Cb 0.09 -0.25 0.48 0.00 -1.54 0.00 0.00 39.78 38.55 1bws n ASN 315 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54