#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doa h ALA 2 N 0.00 1.01 -0.29 -5.12 0.00 -1.98 -3.30 119.26 109.58 3doa h ALA 2 Ca 0.00 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 54.14 3doa h ALA 2 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3doa h ALA 2 CO 0.00 0.31 1.95 0.98 0.00 0.00 0.00 179.25 182.48 3doa n TYR 3 N -3.40 2.79 -0.39 0.00 4.19 -1.26 -4.81 117.16 114.28 3doa n TYR 3 Ca 0.00 -1.98 -0.29 0.00 3.31 0.00 0.00 57.90 58.95 3doa n TYR 3 Cb 0.44 -2.27 0.27 0.00 0.49 0.00 0.00 39.34 38.27 3doa n TYR 3 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 3doa n ASP 4 N 9.93 -2.69 0.08 2.98 9.92 -1.24 -4.86 116.55 130.66 3doa n ASP 4 Ca 0.48 -0.43 -0.14 0.00 -0.53 0.00 0.00 54.79 54.17 3doa n ASP 4 Cb 0.43 -1.15 -0.08 0.00 -0.64 0.00 0.00 41.12 39.68 3doa n ASP 4 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3doa h GLY 5 N -3.04 -0.91 1.28 0.44 0.00 -1.12 -1.08 103.07 98.63 3doa h GLY 5 Ca -0.56 0.56 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3doa h GLY 5 CO 0.41 -0.25 0.16 1.41 0.00 0.00 0.00 176.54 178.27 3doa h LEU 6 N -0.64 0.85 0.18 3.11 3.38 -1.80 0.28 115.31 120.67 3doa h LEU 6 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3doa h LEU 6 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3doa h LEU 6 CO -0.31 0.82 -0.13 0.15 0.09 0.00 0.00 178.44 179.06 3doa h PHE 7 N 0.88 -0.33 -0.70 1.13 3.57 -1.87 -2.23 116.94 117.39 3doa h PHE 7 Ca 0.19 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.84 3doa h PHE 7 Cb 0.29 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.03 3doa h PHE 7 CO 0.02 -0.20 -0.00 1.15 -2.23 0.00 0.00 178.31 177.05 3doa h THR 8 N -0.31 0.40 -0.95 4.41 2.02 -0.17 0.29 112.91 118.60 3doa h THR 8 Ca -0.01 -0.04 0.17 0.00 0.77 0.00 0.00 66.41 67.30 3doa h THR 8 Cb 0.27 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 3doa h THR 8 CO 0.01 0.02 0.55 0.50 0.37 0.00 0.00 175.52 176.97 3doa h LYS 9 N 0.11 0.71 0.18 6.66 3.64 0.08 -0.41 116.57 127.54 3doa h LYS 9 Ca 0.37 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.40 3doa h LYS 9 Cb 0.63 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3doa h LYS 9 CO -0.61 0.47 -1.41 0.87 -2.27 0.00 0.00 179.45 176.50 3doa h LYS 10 N 0.73 0.38 -0.25 1.90 1.79 -0.00 -1.85 116.57 119.27 3doa h LYS 10 Ca 0.53 -0.65 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3doa h LYS 10 Cb 0.78 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 3doa h LYS 10 CO -0.37 1.30 0.14 1.98 -1.08 0.00 0.00 179.45 181.41 3doa h MET 11 N 0.10 0.28 -0.54 3.15 4.05 -0.52 -2.28 114.93 119.17 3doa h MET 11 Ca -0.21 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.26 3doa h MET 11 Cb 2.06 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.75 3doa h MET 11 CO 0.22 0.18 0.23 0.28 0.23 0.00 0.00 176.91 178.06 3doa h VAL 12 N 0.28 0.87 -0.65 -5.77 2.07 -1.06 -1.91 116.25 110.09 3doa h VAL 12 Ca 0.10 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3doa h VAL 12 Cb 0.01 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 3doa h VAL 12 CO -0.06 0.08 0.32 -0.33 0.02 0.00 0.00 177.57 177.61 3doa h GLU 13 N 0.44 0.56 0.00 1.57 5.08 -1.02 -0.31 114.58 120.90 3doa h GLU 13 Ca 0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3doa h GLU 13 Cb 0.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3doa h GLU 13 CO -0.22 0.37 0.00 -1.13 -1.00 0.00 0.00 179.01 177.03 3doa n SER 14 N -4.87 0.00 -0.87 1.42 3.41 -0.76 -2.90 113.62 109.05 3doa n SER 14 Ca 0.09 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3doa n SER 14 Cb 0.22 -0.49 0.19 0.00 -0.26 0.00 0.00 64.21 63.87 3doa n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3doa n LEU 15 N -1.49 2.71 0.25 1.04 4.77 -0.13 -4.44 117.00 119.71 3doa n LEU 15 Ca 0.04 -0.92 0.10 0.00 -0.03 0.00 0.00 56.01 55.20 3doa n LEU 15 Cb 0.19 -0.01 0.65 0.00 -2.33 0.00 0.00 43.42 41.93 3doa n LEU 15 CO 0.15 0.46 0.95 1.56 -1.33 0.00 0.00 177.39 179.19 3doa h GLN 16 N 4.21 0.00 0.00 3.23 1.08 -1.49 -1.68 115.11 120.47 3doa h GLN 16 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3doa h GLN 16 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3doa h GLN 16 CO 0.00 0.14 0.00 0.27 -0.95 0.00 0.00 178.83 178.29 3doa h PHE 17 N 0.00 0.00 0.00 2.96 -5.15 -1.84 -0.32 116.94 112.59 3doa h PHE 17 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3doa h PHE 17 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.49 3doa h PHE 17 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.24 3doa h LEU 18 N 0.00 0.00 -9.55 2.10 3.38 -1.63 -3.46 115.31 106.15 3doa h LEU 18 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3doa h LEU 18 Cb 0.29 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.12 3doa h LEU 18 CO 0.00 0.00 0.57 0.41 0.09 0.00 0.00 178.44 179.51 3doa n THR 19 N -2.66 0.95 0.00 0.22 -1.04 -0.13 -1.08 114.28 110.53 3doa n THR 19 Ca 0.03 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3doa n THR 19 Cb 0.40 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 3doa n THR 19 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3doa n THR 20 N 1.84 0.00 -1.34 12.58 -1.04 0.17 -4.98 114.28 121.50 3doa n THR 20 Ca 0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.82 3doa n THR 20 Cb 0.31 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.91 3doa n THR 20 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3doa s GLY 21 N -2.26 1.65 -0.13 3.41 0.00 -0.25 -4.56 107.32 105.19 3doa s GLY 21 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 3doa s GLY 21 CO 0.00 0.47 0.06 -1.60 0.00 0.00 0.00 173.10 172.03 3doa s ARG 22 N -4.97 3.43 -0.25 2.90 3.52 -0.37 -0.42 118.95 122.79 3doa s ARG 22 Ca 0.61 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 3doa s ARG 22 Cb -0.16 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3doa s ARG 22 CO 0.56 0.59 1.17 0.08 -0.81 0.00 0.00 175.30 176.89 3doa s VAL 23 N -0.54 4.40 -0.22 7.11 1.01 -0.02 -0.48 120.40 131.66 3doa s VAL 23 Ca 0.11 1.64 0.11 0.00 0.00 0.00 0.00 61.98 63.84 3doa s VAL 23 Cb -0.12 -4.22 -0.15 0.00 0.00 0.00 0.00 36.38 31.89 3doa s VAL 23 CO 0.02 -0.32 0.34 1.57 0.00 0.00 0.00 175.10 176.71 3doa n HIS 24 N 6.86 0.00 -3.64 5.22 -0.00 -0.04 -1.15 115.22 122.47 3doa n HIS 24 Ca 0.13 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.27 3doa n HIS 24 Cb 0.46 -0.15 -0.06 0.00 -0.12 0.00 0.00 29.99 30.12 3doa n HIS 24 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3doa s LYS 25 N -2.48 0.15 -0.12 1.57 2.20 -1.20 -4.93 119.74 114.93 3doa s LYS 25 Ca -0.01 0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.68 3doa s LYS 25 Cb 0.08 0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.53 3doa s LYS 25 CO 0.46 -0.03 0.17 0.42 -0.36 0.00 0.00 175.35 176.01 3doa s ILE 26 N -0.40 -0.26 0.50 5.43 1.01 -1.26 -0.69 121.20 125.53 3doa s ILE 26 Ca 0.07 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3doa s ILE 26 Cb -0.03 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 3doa s ILE 26 CO -0.11 0.01 0.09 0.20 0.00 0.00 0.00 174.94 175.13 3doa s ASN 27 N 2.28 4.22 -0.35 3.58 0.01 0.13 -4.90 114.94 119.92 3doa s ASN 27 Ca 0.04 -1.53 0.02 0.00 -0.71 0.00 0.00 52.86 50.68 3doa s ASN 27 Cb -0.13 0.39 0.15 0.00 0.41 0.00 0.00 41.25 42.06 3doa s ASN 27 CO -0.08 -0.85 0.34 -1.58 -1.51 0.00 0.00 177.10 173.42 3doa s GLN 28 N -3.94 0.55 0.08 -0.60 0.74 -1.26 -1.40 119.66 113.82 3doa s GLN 28 Ca 0.15 -0.69 0.26 0.00 0.05 0.00 0.00 55.36 55.13 3doa s GLN 28 Cb 0.02 -0.74 1.02 0.00 1.10 0.00 0.00 33.01 34.41 3doa s GLN 28 CO 0.08 -1.15 1.81 -2.30 -0.55 0.00 0.00 175.29 173.18 3doa n PRO 29 N 4.53 0.09 -3.25 1.67 -0.02 -1.23 -4.88 135.00 131.90 3doa n PRO 29 Ca 0.08 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 3doa n PRO 29 Cb 0.45 -1.61 0.02 0.00 -0.02 0.00 0.00 33.50 32.34 3doa n PRO 29 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3doa n ASP 30 N -1.76 -1.86 0.00 2.55 5.68 -1.26 -5.04 116.55 114.85 3doa n ASP 30 Ca 0.06 -2.29 0.07 0.00 -0.50 0.00 0.00 54.79 52.14 3doa n ASP 30 Cb 0.33 3.10 0.38 0.00 -1.14 0.00 0.00 41.12 43.80 3doa n ASP 30 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3doa n ASN 31 N -1.43 0.00 -0.07 -1.12 4.13 -1.26 -2.76 115.26 112.75 3doa n ASN 31 Ca -0.07 0.07 0.01 0.00 1.68 0.00 0.00 54.58 56.27 3doa n ASN 31 Cb 0.48 -0.29 0.01 0.00 -1.54 0.00 0.00 39.78 38.45 3doa n ASN 31 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3doa n ASP 32 N -1.29 1.52 -3.78 6.41 8.00 -1.26 -5.02 116.55 121.14 3doa n ASP 32 Ca 0.07 -1.43 -0.13 0.00 0.71 0.00 0.00 54.79 54.01 3doa n ASP 32 Cb 0.12 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 3doa n ASP 32 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3doa s THR 33 N -0.47 -0.03 -0.09 -3.53 2.01 -1.11 -0.34 115.64 112.07 3doa s THR 33 Ca 0.02 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.19 3doa s THR 33 Cb 0.01 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.31 3doa s THR 33 CO 0.02 0.05 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.15 3doa s ILE 34 N 0.82 2.28 -0.23 1.82 -1.09 0.16 -3.47 121.20 121.49 3doa s ILE 34 Ca -0.06 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3doa s ILE 34 Cb -0.08 -1.87 -0.00 0.00 -1.58 0.00 0.00 42.46 38.92 3doa s ILE 34 CO -0.04 0.56 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.97 3doa s LEU 35 N 0.16 2.95 -0.25 2.97 2.96 -0.49 -0.33 118.68 126.64 3doa s LEU 35 Ca -0.12 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3doa s LEU 35 Cb -0.16 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.87 3doa s LEU 35 CO 0.07 -0.04 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.71 3doa s MET 36 N 1.46 1.52 -0.16 1.98 -2.45 0.20 -0.69 119.30 121.16 3doa s MET 36 Ca 0.05 -1.10 -0.23 0.00 -1.25 0.00 0.00 55.69 53.16 3doa s MET 36 Cb -0.15 -2.60 -0.02 0.00 1.25 0.00 0.00 34.83 33.31 3doa s MET 36 CO -0.03 -0.67 0.71 0.54 1.05 0.00 0.00 175.02 176.61 3doa s VAL 37 N 1.36 4.98 -0.19 10.11 0.11 0.13 -1.86 120.40 135.04 3doa s VAL 37 Ca -0.02 1.39 -0.06 0.00 -2.93 0.00 0.00 61.98 60.36 3doa s VAL 37 Cb -0.19 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 3doa s VAL 37 CO -0.08 0.11 0.02 -0.69 -3.33 0.00 0.00 175.10 171.13 3doa s VAL 38 N 1.76 4.29 -0.27 2.04 1.01 -0.25 -0.86 120.40 128.11 3doa s VAL 38 Ca 0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 3doa s VAL 38 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3doa s VAL 38 CO 0.13 0.44 0.07 -0.60 0.00 0.00 0.00 175.10 175.14 3doa s ARG 39 N 0.73 3.33 -0.07 2.72 3.52 0.37 -0.80 118.95 128.75 3doa s ARG 39 Ca 0.01 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3doa s ARG 39 Cb -0.14 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3doa s ARG 39 CO 0.02 -0.33 -0.19 -1.14 -0.81 0.00 0.00 175.30 172.85 3doa s GLN 40 N 1.55 2.26 -0.96 5.12 2.00 -0.85 -1.23 119.66 127.55 3doa s GLN 40 Ca 0.04 -0.69 -0.00 0.00 -2.00 0.00 0.00 55.36 52.71 3doa s GLN 40 Cb -0.16 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.81 3doa s GLN 40 CO 0.03 0.19 0.01 -1.71 -0.50 0.00 0.00 175.29 173.31 3doa n ASN 41 N 3.39 0.55 -0.22 6.67 5.15 -1.26 -1.57 115.26 127.97 3doa n ASN 41 Ca -0.19 -0.80 -0.03 0.00 -0.60 0.00 0.00 54.58 52.96 3doa n ASN 41 Cb 0.52 -0.99 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 3doa n ASN 41 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3doa n ARG 42 N -3.24 -0.89 -4.90 1.20 1.74 -1.26 -4.99 116.66 104.33 3doa n ARG 42 Ca -0.20 0.41 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 3doa n ARG 42 Cb 0.43 -4.19 -0.14 0.00 -1.02 0.00 0.00 32.46 27.54 3doa n ARG 42 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3doa s GLN 43 N -1.50 2.03 0.19 5.56 -1.52 -0.61 -5.12 119.66 118.69 3doa s GLN 43 Ca 0.00 -0.98 -0.06 0.00 -1.95 0.00 0.00 55.36 52.37 3doa s GLN 43 Cb 0.00 -2.11 -0.06 0.00 -0.22 0.00 0.00 33.01 30.62 3doa s GLN 43 CO 0.00 0.54 0.44 -0.80 -0.25 0.00 0.00 175.29 175.23 3doa s ASN 44 N -1.13 6.51 -0.06 5.90 0.01 -1.26 -2.00 114.94 122.90 3doa s ASN 44 Ca 0.12 0.67 -0.00 0.00 -0.71 0.00 0.00 52.86 52.94 3doa s ASN 44 Cb -0.10 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.46 3doa s ASN 44 CO 0.02 -0.02 -0.02 -1.00 -1.51 0.00 0.00 177.10 174.57 3doa s HIS 45 N -1.78 0.72 -0.50 2.20 3.76 0.02 -4.97 115.29 114.75 3doa s HIS 45 Ca 0.43 -0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 54.92 3doa s HIS 45 Cb -0.12 -0.73 0.04 0.00 1.11 0.00 0.00 32.58 32.88 3doa s HIS 45 CO 0.25 -0.26 0.74 -0.65 -0.85 0.00 0.00 174.74 173.97 3doa s GLN 46 N 1.40 3.24 -0.28 1.40 -0.21 -1.26 -1.09 119.66 122.87 3doa s GLN 46 Ca -0.03 -0.52 -0.16 0.00 0.02 0.00 0.00 55.36 54.67 3doa s GLN 46 Cb -0.13 -4.04 -0.03 0.00 1.00 0.00 0.00 33.01 29.81 3doa s GLN 46 CO -0.03 -1.25 0.43 -1.17 -2.12 0.00 0.00 175.29 171.16 3doa s LEU 47 N 3.13 4.10 -0.15 2.90 2.96 -0.78 -1.07 118.68 129.76 3doa s LEU 47 Ca 0.23 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 3doa s LEU 47 Cb -0.15 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 3doa s LEU 47 CO 0.17 -0.26 0.02 -0.22 -1.32 0.00 0.00 176.35 174.74 3doa s LEU 48 N 2.18 3.60 -0.26 -0.68 0.20 0.17 -0.63 118.68 123.26 3doa s LEU 48 Ca 0.17 0.03 0.01 0.00 0.69 0.00 0.00 54.13 55.03 3doa s LEU 48 Cb -0.16 -1.88 0.07 0.00 -0.43 0.00 0.00 46.19 43.79 3doa s LEU 48 CO 0.10 0.21 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.61 3doa s LEU 49 N 0.11 2.78 -0.01 -0.68 1.02 0.55 -1.32 118.68 121.13 3doa s LEU 49 Ca 0.03 -1.39 0.04 0.00 0.02 0.00 0.00 54.13 52.83 3doa s LEU 49 Cb -0.13 -1.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 3doa s LEU 49 CO 0.02 -0.29 -0.13 -0.55 0.02 0.00 0.00 176.35 175.42 3doa s SER 50 N 1.38 4.18 0.00 2.29 0.15 -0.48 -0.67 113.70 120.55 3doa s SER 50 Ca -0.00 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.46 3doa s SER 50 Cb -0.19 -0.87 0.13 0.00 -1.71 0.00 0.00 66.02 63.39 3doa s SER 50 CO -0.10 0.30 1.07 0.00 1.20 0.00 0.00 173.24 175.71 3doa n ILE 51 N 1.86 0.89 -1.91 6.45 3.06 0.54 -2.06 119.36 128.18 3doa n ILE 51 Ca -0.16 -0.94 -0.41 0.00 -2.50 0.00 0.00 62.75 58.73 3doa n ILE 51 Cb 0.52 0.57 -0.02 0.00 0.54 0.00 0.00 39.64 41.26 3doa n ILE 51 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3doa s HIS 52 N -0.94 2.87 0.48 9.51 2.46 -1.25 -4.57 115.29 123.85 3doa s HIS 52 Ca 0.11 0.99 0.16 0.00 0.47 0.00 0.00 55.06 56.79 3doa s HIS 52 Cb 0.06 -3.93 1.18 0.00 -0.13 0.00 0.00 32.58 29.76 3doa s HIS 52 CO 0.07 -2.99 2.05 -1.00 -2.47 0.00 0.00 174.74 170.41 3doa h PRO 53 N 4.57 0.19 0.06 2.88 0.13 -1.92 0.54 132.00 138.44 3doa h PRO 53 Ca -0.47 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.29 3doa h PRO 53 Cb 1.22 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3doa h PRO 53 CO 0.76 0.12 -2.00 0.09 -0.23 0.00 0.00 178.00 176.74 3doa n ASN 54 N -4.47 2.02 -1.11 1.44 3.02 -1.26 -3.11 115.26 111.80 3doa n ASN 54 Ca 0.05 0.20 0.10 0.00 -0.03 0.00 0.00 54.58 54.89 3doa n ASN 54 Cb 0.29 -0.79 0.25 0.00 -0.61 0.00 0.00 39.78 38.93 3doa n ASN 54 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3doa n PHE 55 N -3.72 0.74 -1.23 3.10 3.72 -0.83 -4.82 117.46 114.43 3doa n PHE 55 Ca -0.37 -0.45 -0.44 0.00 -0.05 0.00 0.00 57.45 56.14 3doa n PHE 55 Cb 0.94 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.43 3doa n PHE 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3doa n SER 56 N 1.30 -0.73 0.00 4.37 7.64 0.18 -4.73 113.62 121.65 3doa n SER 56 Ca 0.20 0.98 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3doa n SER 56 Cb 0.56 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3doa n SER 56 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3doa n ARG 57 N 1.00 -0.79 -3.73 1.43 1.85 -0.88 -4.93 116.66 110.60 3doa n ARG 57 Ca 0.16 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.83 3doa n ARG 57 Cb 0.17 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.41 3doa n ARG 57 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3doa s LEU 58 N 0.00 0.57 0.21 2.89 2.96 -1.26 -1.38 118.68 122.67 3doa s LEU 58 Ca 0.00 0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.75 3doa s LEU 58 Cb 0.00 -0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.60 3doa s LEU 58 CO 0.00 -0.19 0.63 0.00 -1.32 0.00 0.00 176.35 175.47 3doa s GLN 59 N 1.68 1.49 0.27 1.98 -2.07 -0.44 -4.99 119.66 117.59 3doa s GLN 59 Ca -0.01 -0.74 -0.14 0.00 -1.82 0.00 0.00 55.36 52.66 3doa s GLN 59 Cb -0.12 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.30 3doa s GLN 59 CO -0.03 -0.66 0.66 -0.51 -1.32 0.00 0.00 175.29 173.43 3doa s LEU 60 N -2.84 4.13 0.00 2.60 1.02 -1.26 0.43 118.68 122.77 3doa s LEU 60 Ca 0.06 1.16 0.03 0.00 0.02 0.00 0.00 54.13 55.41 3doa s LEU 60 Cb -0.03 -3.87 -0.01 0.00 0.02 0.00 0.00 46.19 42.30 3doa s LEU 60 CO -0.04 -0.13 0.29 1.07 0.02 0.00 0.00 176.35 177.57 3doa n THR 61 N -0.14 0.00 -4.72 5.49 5.66 -0.24 -4.72 114.28 115.62 3doa n THR 61 Ca 0.02 -1.73 -0.26 0.00 -3.05 0.00 0.00 64.05 59.02 3doa n THR 61 Cb 0.53 0.93 -0.17 0.00 -1.55 0.00 0.00 70.33 70.07 3doa n THR 61 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3doa s THR 62 N -2.94 1.32 0.00 1.09 2.01 -1.26 -4.46 115.64 111.39 3doa s THR 62 Ca 0.28 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3doa s THR 62 Cb 0.01 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.33 3doa s THR 62 CO 0.20 0.39 0.00 1.17 -0.69 0.00 0.00 174.62 175.70 3doa n LYS 63 N 3.70 0.00 -3.64 4.92 0.00 -1.26 -5.12 118.16 116.77 3doa n LYS 63 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 57.88 3doa n LYS 63 Cb 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.38 3doa n LYS 63 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3doa s PRO 71 N 0.00 0.00 0.58 1.64 0.01 -1.26 -5.20 135.00 130.77 3doa s PRO 71 Ca 0.00 0.27 -0.07 0.00 0.01 0.00 0.00 61.00 61.21 3doa s PRO 71 Cb 0.00 -0.89 -0.01 0.00 0.01 0.00 0.00 34.50 33.61 3doa s PRO 71 CO 0.00 -0.45 0.91 -1.25 0.01 0.00 0.00 177.00 176.23 3doa s PRO 72 N 2.20 3.20 0.19 5.54 0.04 -1.26 -4.81 135.00 140.09 3doa s PRO 72 Ca 0.04 0.23 -0.11 0.00 0.04 0.00 0.00 61.00 61.20 3doa s PRO 72 Cb -0.13 -2.24 0.23 0.00 0.04 0.00 0.00 34.50 32.40 3doa s PRO 72 CO -0.06 -0.58 1.19 -0.12 0.04 0.00 0.00 177.00 177.47 3doa n MET 73 N -2.57 -0.15 -0.12 4.56 0.00 -1.26 -0.87 117.12 116.71 3doa n MET 73 Ca 0.04 1.18 -0.13 0.00 -0.00 0.00 0.00 57.70 58.80 3doa n MET 73 Cb 0.56 -1.76 -0.01 0.00 0.00 0.00 0.00 33.22 32.01 3doa n MET 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3doa h PHE 74 N 0.00 1.11 -0.66 1.12 3.57 -1.99 0.28 116.94 120.37 3doa h PHE 74 Ca 0.30 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3doa h PHE 74 Cb 0.49 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3doa h PHE 74 CO -0.65 1.15 0.34 0.00 -2.23 0.00 0.00 178.31 176.92 3doa h ALA 75 N 0.81 0.85 0.10 2.41 0.00 -1.38 -1.07 119.26 120.97 3doa h ALA 75 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3doa h ALA 75 Cb 0.95 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3doa h ALA 75 CO 0.09 0.39 -0.32 0.00 0.00 0.00 0.00 179.25 179.41 3doa h ARG 76 N 0.91 -0.51 -0.77 0.00 3.08 0.16 0.21 114.38 117.46 3doa h ARG 76 Ca 0.23 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.42 3doa h ARG 76 Cb 0.08 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 3doa h ARG 76 CO -0.03 -0.34 0.40 0.28 -1.07 0.00 0.00 179.97 179.21 3doa h VAL 77 N -0.53 0.85 -0.35 2.04 2.07 -0.28 -0.43 116.25 119.62 3doa h VAL 77 Ca 0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3doa h VAL 77 Cb 0.57 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3doa h VAL 77 CO -0.20 0.12 0.21 -0.26 0.02 0.00 0.00 177.57 177.45 3doa h PHE 78 N 0.66 0.47 -0.37 1.57 -1.00 -0.23 -2.73 116.94 115.31 3doa h PHE 78 Ca 0.38 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.20 3doa h PHE 78 Cb 0.41 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 3doa h PHE 78 CO -0.09 0.35 0.12 0.00 -1.61 0.00 0.00 178.31 177.08 3doa h ARG 79 N 0.45 0.26 -0.65 1.51 3.08 0.09 0.22 114.38 119.34 3doa h ARG 79 Ca 0.13 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.29 3doa h ARG 79 Cb 0.03 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 29.89 3doa h ARG 79 CO -0.02 0.17 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.64 3doa h LYS 80 N 0.27 -0.03 0.00 0.04 3.64 -0.92 -0.92 116.57 118.66 3doa h LYS 80 Ca 0.17 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3doa h LYS 80 Cb 0.16 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3doa h LYS 80 CO -0.19 -0.02 -1.33 0.72 -2.27 0.00 0.00 179.45 176.37 3doa n HIS 81 N -5.45 0.87 -0.01 1.91 8.25 -1.05 -4.67 115.22 115.08 3doa n HIS 81 Ca 0.08 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.80 3doa n HIS 81 Cb 0.34 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.46 3doa n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3doa n LEU 82 N -2.74 1.52 -4.69 2.41 4.77 0.74 -4.77 117.00 114.24 3doa n LEU 82 Ca -0.06 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 3doa n LEU 82 Cb 0.71 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 3doa n LEU 82 CO 0.42 0.28 1.43 1.21 -1.33 0.00 0.00 177.39 179.40 3doa n GLU 83 N -2.30 2.70 0.00 3.23 2.13 -0.37 -0.11 120.64 125.93 3doa n GLU 83 Ca -0.02 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.78 3doa n GLU 83 Cb 0.53 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.39 3doa n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3doa n GLY 84 N 4.11 2.85 3.66 8.31 0.00 -0.30 -4.89 105.19 118.93 3doa n GLY 84 Ca 0.18 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 3doa n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3doa s GLY 85 N -0.73 1.60 0.07 -0.02 0.00 0.84 -4.56 107.32 104.52 3doa s GLY 85 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.70 3doa s GLY 85 CO 0.00 0.49 0.02 -0.42 0.00 0.00 0.00 173.10 173.19 3doa s ILE 86 N -2.82 4.20 -0.35 0.90 -1.09 -0.35 -0.84 121.20 120.86 3doa s ILE 86 Ca 0.65 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 58.00 3doa s ILE 86 Cb -0.20 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 3doa s ILE 86 CO 0.59 0.16 0.62 -0.63 -1.23 0.00 0.00 174.94 174.44 3doa s ILE 87 N -1.31 4.91 -0.08 2.92 1.01 0.44 -1.17 121.20 127.93 3doa s ILE 87 Ca 0.26 0.58 0.15 0.00 0.00 0.00 0.00 60.65 61.64 3doa s ILE 87 Cb -0.12 -4.05 -0.17 0.00 0.01 0.00 0.00 42.46 38.13 3doa s ILE 87 CO 0.18 -0.28 0.78 -0.33 0.00 0.00 0.00 174.94 175.30 3doa h GLU 88 N 8.43 0.00 -1.63 2.79 5.08 -0.48 0.48 114.58 129.25 3doa h GLU 88 Ca -0.27 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3doa h GLU 88 Cb 1.11 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.11 3doa h GLU 88 CO 0.82 0.39 0.45 0.45 -1.00 0.00 0.00 179.01 180.12 3doa s SER 89 N -5.95 -0.46 -0.09 1.42 0.15 -1.16 -4.81 113.70 102.81 3doa s SER 89 Ca -0.03 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3doa s SER 89 Cb 0.08 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.20 3doa s SER 89 CO 0.82 -0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 174.34 3doa s ILE 90 N -0.07 0.93 0.16 6.45 1.01 -1.26 0.58 121.20 128.99 3doa s ILE 90 Ca 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 3doa s ILE 90 Cb -0.04 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3doa s ILE 90 CO -0.04 0.33 0.38 -1.59 0.00 0.00 0.00 174.94 174.03 3doa s LYS 91 N 1.31 1.19 -0.01 2.79 -2.85 -0.64 -4.94 119.74 116.59 3doa s LYS 91 Ca -0.03 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 54.03 3doa s LYS 91 Cb -0.14 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 3doa s LYS 91 CO -0.03 -0.46 -0.12 -1.14 0.10 0.00 0.00 175.35 173.70 3doa s GLN 92 N -3.89 2.45 -0.46 1.78 0.74 -1.26 -1.54 119.66 117.47 3doa s GLN 92 Ca 0.10 -0.75 -0.22 0.00 0.05 0.00 0.00 55.36 54.54 3doa s GLN 92 Cb 0.02 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.76 3doa s GLN 92 CO -0.05 0.60 0.72 0.42 -0.55 0.00 0.00 175.29 176.44 3doa s ILE 93 N -0.87 4.72 0.00 -2.34 -1.09 -0.73 -4.88 121.20 116.01 3doa s ILE 93 Ca 0.14 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 3doa s ILE 93 Cb -0.11 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3doa s ILE 93 CO 0.04 -0.71 0.00 0.61 -1.23 0.00 0.00 174.94 173.65 3doa n GLY 94 N 5.04 3.02 1.77 6.18 0.00 -1.26 -1.50 105.19 118.43 3doa n GLY 94 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3doa n GLY 94 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3doa n ASN 95 N 1.41 5.33 -4.77 1.61 5.15 -1.26 -5.02 115.26 117.71 3doa n ASN 95 Ca 0.00 -2.78 -0.29 0.00 -0.60 0.00 0.00 54.58 50.91 3doa n ASN 95 Cb 0.00 -0.65 0.11 0.00 -0.53 0.00 0.00 39.78 38.70 3doa n ASN 95 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3doa s ASP 96 N -0.78 4.27 -1.28 1.20 2.15 -0.56 -3.72 116.67 117.94 3doa s ASP 96 Ca 0.52 0.69 -0.05 0.00 0.43 0.00 0.00 52.55 54.14 3doa s ASP 96 Cb 0.38 -1.11 0.15 0.00 -0.30 0.00 0.00 42.92 42.04 3doa s ASP 96 CO 0.17 -2.05 2.26 0.54 -0.17 0.00 0.00 175.17 175.93 3doa n ARG 97 N -3.40 4.59 -3.70 4.34 1.74 -1.26 -4.57 116.66 114.40 3doa n ARG 97 Ca 0.09 -3.61 -0.14 0.00 -0.77 0.00 0.00 57.85 53.41 3doa n ARG 97 Cb 0.61 -2.64 -0.14 0.00 -1.02 0.00 0.00 32.46 29.26 3doa n ARG 97 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3doa s ARG 98 N -1.36 0.10 -0.02 5.56 0.52 -1.26 -0.39 118.95 122.10 3doa s ARG 98 Ca 0.51 0.53 0.07 0.00 -0.52 0.00 0.00 55.73 56.31 3doa s ARG 98 Cb 0.17 -0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.45 3doa s ARG 98 CO -0.08 -0.24 -0.22 0.42 0.02 0.00 0.00 175.30 175.20 3doa s ILE 99 N 1.79 1.79 -0.16 1.52 1.09 -0.32 -1.78 121.20 125.13 3doa s ILE 99 Ca -0.03 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.56 3doa s ILE 99 Cb -0.12 -1.49 0.03 0.00 -1.06 0.00 0.00 42.46 39.82 3doa s ILE 99 CO -0.07 0.50 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.54 3doa s GLU 100 N -0.45 2.21 -0.18 2.79 2.02 -0.59 -0.06 118.70 124.44 3doa s GLU 100 Ca 0.07 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.38 3doa s GLU 100 Cb -0.09 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 3doa s GLU 100 CO -0.00 -0.28 0.02 0.42 0.02 0.00 0.00 175.26 175.44 3doa s ILE 101 N 1.47 4.35 -0.35 -1.63 1.01 0.32 -1.61 121.20 124.76 3doa s ILE 101 Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3doa s ILE 101 Cb -0.14 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3doa s ILE 101 CO -0.10 0.45 0.23 -1.81 0.00 0.00 0.00 174.94 173.71 3doa s ASP 102 N 0.60 5.96 -0.06 3.58 1.01 0.20 0.14 116.67 128.10 3doa s ASP 102 Ca 0.01 -0.55 0.04 0.00 0.71 0.00 0.00 52.55 52.75 3doa s ASP 102 Cb -0.14 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3doa s ASP 102 CO 0.02 -0.27 -0.16 -0.63 0.21 0.00 0.00 175.17 174.34 3doa s ILE 103 N 1.69 2.89 -0.15 0.77 1.01 0.10 0.30 121.20 127.80 3doa s ILE 103 Ca 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 3doa s ILE 103 Cb -0.18 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3doa s ILE 103 CO 0.09 0.58 -0.05 -0.75 0.00 0.00 0.00 174.94 174.82 3doa s LYS 104 N -0.57 3.62 0.13 2.79 2.20 -0.31 -0.65 119.74 126.94 3doa s LYS 104 Ca 0.08 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 3doa s LYS 104 Cb -0.11 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3doa s LYS 104 CO 0.01 0.22 0.16 -1.13 -0.36 0.00 0.00 175.35 174.25 3doa n SER 105 N 3.59 -0.44 -4.51 1.43 3.41 0.71 -1.21 113.62 116.61 3doa n SER 105 Ca -0.17 -1.71 -0.32 0.00 -0.26 0.00 0.00 58.87 56.40 3doa n SER 105 Cb 0.52 0.85 -0.12 0.00 -0.26 0.00 0.00 64.21 65.20 3doa n SER 105 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3doa s LYS 106 N -2.34 2.39 0.84 4.33 -0.14 -1.26 0.51 119.74 124.07 3doa s LYS 106 Ca 0.11 -0.79 -0.14 0.00 -1.36 0.00 0.00 55.97 53.79 3doa s LYS 106 Cb -0.00 -2.36 0.19 0.00 -1.68 0.00 0.00 37.83 33.98 3doa s LYS 106 CO 0.08 0.59 1.11 -0.40 -0.76 0.00 0.00 175.35 175.97 3doa n ASP 107 N 1.81 -0.06 -0.33 2.83 5.68 -0.34 -4.86 116.55 121.28 3doa n ASP 107 Ca -0.16 -1.38 0.01 0.00 -0.50 0.00 0.00 54.79 52.76 3doa n ASP 107 Cb 0.52 -0.86 0.08 0.00 -1.14 0.00 0.00 41.12 39.72 3doa n ASP 107 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3doa h GLU 108 N 0.00 -0.02 -0.93 0.11 5.08 -1.90 -0.70 114.58 116.21 3doa h GLU 108 Ca -0.36 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.78 3doa h GLU 108 Cb 1.00 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.13 3doa h GLU 108 CO 0.25 -0.02 0.28 0.44 -1.00 0.00 0.00 179.01 178.97 3doa n ILE 109 N -5.52 2.13 -0.44 3.13 -5.35 -1.26 -4.93 119.36 107.12 3doa n ILE 109 Ca 0.11 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3doa n ILE 109 Cb 0.42 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 3doa n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3doa n GLY 110 N -0.24 1.77 3.76 3.28 0.00 -0.27 -5.02 105.19 108.48 3doa n GLY 110 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 3doa n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doa s ASP 111 N -3.32 7.28 0.26 1.61 1.11 -1.26 -4.61 116.67 117.75 3doa s ASP 111 Ca 0.00 2.14 -0.30 0.00 0.18 0.00 0.00 52.55 54.57 3doa s ASP 111 Cb 0.00 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 41.28 3doa s ASP 111 CO 0.00 -0.12 1.36 0.42 1.18 0.00 0.00 175.17 178.01 3doa s THR 112 N -1.27 2.83 0.04 -1.27 -4.23 -1.26 -1.20 115.64 109.28 3doa s THR 112 Ca 0.46 0.74 0.07 0.00 -1.18 0.00 0.00 61.69 61.78 3doa s THR 112 Cb -0.28 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 3doa s THR 112 CO 0.36 0.13 -0.21 0.27 -0.54 0.00 0.00 174.62 174.63 3doa s ILE 113 N -0.34 1.71 -0.21 2.99 -4.36 0.18 -4.85 121.20 116.32 3doa s ILE 113 Ca 0.55 -1.21 -0.02 0.00 -0.26 0.00 0.00 60.65 59.70 3doa s ILE 113 Cb -0.40 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 41.83 3doa s ILE 113 CO 0.45 0.22 -0.08 -0.31 0.24 0.00 0.00 174.94 175.46 3doa s TYR 114 N -0.80 2.92 0.09 1.37 1.51 -1.26 -0.20 117.35 120.98 3doa s TYR 114 Ca 0.08 -1.16 0.09 0.00 -1.01 0.00 0.00 57.07 55.06 3doa s TYR 114 Cb -0.09 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3doa s TYR 114 CO 0.02 -0.63 -0.23 1.03 -1.11 0.00 0.00 175.55 174.63 3doa s ARG 115 N 1.42 1.30 -0.11 -0.62 1.81 0.17 -2.33 118.95 120.60 3doa s ARG 115 Ca 0.05 -1.17 0.02 0.00 -1.72 0.00 0.00 55.73 52.91 3doa s ARG 115 Cb -0.14 -1.60 0.01 0.00 -0.45 0.00 0.00 34.95 32.77 3doa s ARG 115 CO -0.06 0.38 -0.15 0.99 -0.68 0.00 0.00 175.30 175.79 3doa s THR 116 N -1.04 1.46 -0.20 0.02 2.01 -0.19 0.02 115.64 117.73 3doa s THR 116 Ca 0.09 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 3doa s THR 116 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3doa s THR 116 CO 0.04 0.43 0.55 -0.69 -0.69 0.00 0.00 174.62 174.27 3doa s VAL 117 N 0.98 5.08 -0.29 3.82 1.01 0.12 -1.36 120.40 129.76 3doa s VAL 117 Ca -0.07 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 3doa s VAL 117 Cb -0.15 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3doa s VAL 117 CO -0.01 0.15 0.03 -0.63 0.00 0.00 0.00 175.10 174.65 3doa s ILE 118 N 1.74 3.53 -0.25 2.22 1.01 0.16 -0.52 121.20 129.08 3doa s ILE 118 Ca 0.25 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 3doa s ILE 118 Cb -0.16 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3doa s ILE 118 CO 0.10 0.06 0.16 -0.22 0.00 0.00 0.00 174.94 175.04 3doa s LEU 119 N 1.41 4.03 -0.27 2.97 2.96 0.92 -1.38 118.68 129.33 3doa s LEU 119 Ca 0.00 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3doa s LEU 119 Cb -0.18 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3doa s LEU 119 CO 0.00 0.02 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.42 3doa s GLU 120 N 1.31 2.78 -0.59 1.98 2.02 -0.41 -1.18 118.70 124.61 3doa s GLU 120 Ca 0.07 -1.02 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 3doa s GLU 120 Cb -0.14 -3.10 0.13 0.00 0.10 0.00 0.00 34.13 31.11 3doa s GLU 120 CO 0.07 -0.46 0.61 0.42 0.02 0.00 0.00 175.26 175.92 3doa s ILE 121 N 1.34 5.09 -0.39 -1.63 1.01 0.47 -2.11 121.20 124.98 3doa s ILE 121 Ca -0.01 -1.40 0.09 0.00 0.00 0.00 0.00 60.65 59.34 3doa s ILE 121 Cb -0.17 -4.42 0.28 0.00 0.01 0.00 0.00 42.46 38.16 3doa s ILE 121 CO -0.02 -0.99 0.60 0.23 0.00 0.00 0.00 174.94 174.75 3doa n MET 122 N 5.58 0.80 0.00 2.79 2.81 -1.26 -4.81 117.12 123.02 3doa n MET 122 Ca -0.09 -3.24 0.00 0.00 -1.81 0.00 0.00 57.70 52.56 3doa n MET 122 Cb 0.42 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3doa n MET 122 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3doa n GLY 123 N 1.04 2.05 0.10 3.03 0.00 -1.26 0.27 105.19 110.42 3doa n GLY 123 Ca 0.22 0.46 0.14 0.00 0.00 0.00 0.00 46.02 46.84 3doa n GLY 123 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3doa n LYS 124 N 4.72 0.49 -0.90 1.61 2.85 -1.18 -2.86 118.16 122.88 3doa n LYS 124 Ca 0.00 -0.20 0.04 0.00 -1.05 0.00 0.00 58.31 57.10 3doa n LYS 124 Cb 0.00 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 33.26 3doa n LYS 124 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3doa n HIS 125 N -1.08 2.11 -2.25 5.58 8.25 0.75 -4.92 115.22 123.65 3doa n HIS 125 Ca 0.11 -0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 56.37 3doa n HIS 125 Cb 0.31 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.85 3doa n HIS 125 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3doa s SER 126 N -0.79 6.96 0.01 0.41 0.01 -0.99 -4.34 113.70 114.97 3doa s SER 126 Ca 0.53 2.53 -0.10 0.00 1.31 0.00 0.00 55.95 60.21 3doa s SER 126 Cb 0.41 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 64.01 3doa s SER 126 CO 0.15 -0.39 0.21 0.21 0.41 0.00 0.00 173.24 173.83 3doa s ASN 127 N -0.61 -0.04 -0.11 2.44 3.84 -0.90 -4.91 114.94 114.65 3doa s ASN 127 Ca 0.47 -0.17 0.03 0.00 0.21 0.00 0.00 52.86 53.41 3doa s ASN 127 Cb -0.37 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.60 3doa s ASN 127 CO 0.48 -0.45 -0.23 -0.22 -2.79 0.00 0.00 177.10 173.89 3doa s LEU 128 N -1.59 2.13 -0.06 3.21 2.96 -1.26 -1.29 118.68 122.77 3doa s LEU 128 Ca -0.11 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 3doa s LEU 128 Cb -0.05 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.24 3doa s LEU 128 CO 0.01 0.14 0.16 -0.63 -1.32 0.00 0.00 176.35 174.71 3doa s ILE 129 N 0.43 -0.02 -0.13 6.68 1.01 -0.48 0.37 121.20 129.07 3doa s ILE 129 Ca -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3doa s ILE 129 Cb -0.17 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 3doa s ILE 129 CO 0.07 0.03 -0.13 -0.22 0.00 0.00 0.00 174.94 174.69 3doa s LEU 130 N 0.48 2.75 0.16 2.97 2.96 -0.28 0.38 118.68 128.10 3doa s LEU 130 Ca -0.03 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3doa s LEU 130 Cb -0.05 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3doa s LEU 130 CO -0.02 0.17 0.02 0.68 -1.32 0.00 0.00 176.35 175.87 3doa s VAL 131 N 0.34 0.48 0.67 1.68 -7.23 -0.46 0.76 120.40 116.63 3doa s VAL 131 Ca -0.10 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3doa s VAL 131 Cb -0.16 -2.09 0.13 0.00 0.56 0.00 0.00 36.38 34.83 3doa s VAL 131 CO 0.06 -0.48 0.92 -0.90 -0.31 0.00 0.00 175.10 174.38 3doa n ASP 132 N -0.19 1.30 0.31 4.85 5.68 -0.49 -1.02 116.55 126.99 3doa n ASP 132 Ca -0.06 -2.08 0.19 0.00 -0.50 0.00 0.00 54.79 52.33 3doa n ASP 132 Cb 0.63 -0.59 1.04 0.00 -1.14 0.00 0.00 41.12 41.07 3doa n ASP 132 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3doa h GLU 133 N 0.00 0.00 -0.59 0.11 9.09 -1.82 0.14 114.58 121.52 3doa h GLU 133 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 3doa h GLU 133 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 3doa h GLU 133 CO 0.33 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.48 3doa n ASN 134 N -3.46 3.23 -1.29 3.06 3.02 -1.26 -4.96 115.26 113.60 3doa n ASN 134 Ca -0.02 -2.25 -0.17 0.00 -0.03 0.00 0.00 54.58 52.10 3doa n ASN 134 Cb 0.12 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 3doa n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3doa n ARG 135 N 0.71 -1.28 -2.23 3.52 5.12 0.48 -4.95 116.66 118.04 3doa n ARG 135 Ca 0.17 1.09 -0.42 0.00 -1.93 0.00 0.00 57.85 56.76 3doa n ARG 135 Cb 0.60 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 26.52 3doa n ARG 135 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3doa s LYS 136 N -3.40 4.34 -0.10 5.56 2.20 -1.26 -1.19 119.74 125.89 3doa s LYS 136 Ca 0.00 2.00 -0.30 0.00 -0.36 0.00 0.00 55.97 57.32 3doa s LYS 136 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3doa s LYS 136 CO 0.00 -0.42 1.35 0.42 -0.36 0.00 0.00 175.35 176.35 3doa s ILE 137 N 1.23 4.04 -0.14 5.43 1.01 0.24 -1.39 121.20 131.63 3doa s ILE 137 Ca 0.63 1.31 -0.28 0.00 0.00 0.00 0.00 60.65 62.31 3doa s ILE 137 Cb -0.35 -3.84 -0.26 0.00 0.01 0.00 0.00 42.46 38.02 3doa s ILE 137 CO 0.30 -0.08 0.75 0.40 0.00 0.00 0.00 174.94 176.31 3doa h ILE 138 N 5.33 1.72 -2.98 2.92 2.04 0.11 -3.38 117.51 123.27 3doa h ILE 138 Ca -0.32 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.14 3doa h ILE 138 Cb 1.14 3.32 -0.14 0.00 -0.74 0.00 0.00 36.82 40.40 3doa h ILE 138 CO 0.94 0.60 0.07 -0.70 0.00 0.00 0.00 178.15 179.07 3doa s GLU 139 N -2.25 1.13 -0.09 2.37 2.56 -1.10 -4.44 118.70 116.88 3doa s GLU 139 Ca -0.19 -0.42 0.02 0.00 0.00 0.00 0.00 54.97 54.37 3doa s GLU 139 Cb -0.02 0.51 0.02 0.00 2.00 0.00 0.00 34.13 36.64 3doa s GLU 139 CO 0.70 -0.45 -0.12 0.20 -0.56 0.00 0.00 175.26 175.02 3doa s GLY 140 N -2.43 0.88 0.54 -1.50 0.00 -1.26 -1.12 107.32 102.43 3doa s GLY 140 Ca -0.01 -0.54 0.23 0.00 0.00 0.00 0.00 44.72 44.40 3doa s GLY 140 CO -0.08 0.28 2.06 -2.75 0.00 0.00 0.00 173.10 172.62 3doa h PHE 141 N 7.34 0.00 -4.02 1.90 3.04 -0.49 -3.39 116.94 121.32 3doa h PHE 141 Ca -0.31 0.00 -0.38 0.00 3.98 0.00 0.00 57.97 61.26 3doa h PHE 141 Cb 1.17 0.00 -0.28 0.00 2.56 0.00 0.00 35.95 39.40 3doa h PHE 141 CO 0.48 0.00 -0.78 0.15 -2.02 0.00 0.00 178.31 176.15 3doa s LYS 142 N -4.94 0.69 -0.13 1.11 1.02 -1.26 -4.97 119.74 111.26 3doa s LYS 142 Ca -0.05 -0.32 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 3doa s LYS 142 Cb 0.18 -0.67 -0.05 0.00 -0.52 0.00 0.00 37.83 36.77 3doa s LYS 142 CO 0.67 0.18 0.28 -1.01 -0.92 0.00 0.00 175.35 174.56 3doa s HIS 143 N -0.23 3.53 -0.37 3.18 3.76 -1.26 -4.93 115.29 118.97 3doa s HIS 143 Ca 0.03 0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 55.49 3doa s HIS 143 Cb -0.03 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.42 3doa s HIS 143 CO -0.00 0.38 0.18 -0.51 -0.85 0.00 0.00 174.74 173.95 3doa s LEU 144 N -0.03 4.64 -0.01 0.89 1.02 -0.99 -4.94 118.68 119.26 3doa s LEU 144 Ca 0.17 -1.04 0.20 0.00 0.02 0.00 0.00 54.13 53.48 3doa s LEU 144 Cb -0.13 -1.99 -0.24 0.00 0.02 0.00 0.00 46.19 43.85 3doa s LEU 144 CO 0.05 -0.38 0.54 0.35 0.02 0.00 0.00 176.35 176.94 3doa n THR 145 N 4.95 0.56 -0.37 5.49 -2.24 -1.26 -0.95 114.28 120.45 3doa n THR 145 Ca -0.12 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 3doa n THR 145 Cb 0.46 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 3doa n THR 145 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3doa n PRO 146 N -2.52 -0.39 0.00 -0.78 -0.02 -1.26 -4.99 135.00 125.04 3doa n PRO 146 Ca -0.10 1.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.78 3doa n PRO 146 Cb 0.73 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3doa n PRO 146 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3doa n ARG 152 N -5.03 0.00 -4.83 -0.52 0.63 -1.26 -5.23 116.66 100.42 3doa n ARG 152 Ca 0.02 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 3doa n ARG 152 Cb 0.23 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.98 3doa n ARG 152 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3doa s THR 153 N 0.00 1.39 -0.52 5.15 2.01 -1.26 -4.93 115.64 117.48 3doa s THR 153 Ca 0.00 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.33 3doa s THR 153 Cb 0.00 -1.18 0.21 0.00 0.01 0.00 0.00 72.50 71.54 3doa s THR 153 CO 0.00 0.40 0.50 0.52 -0.69 0.00 0.00 174.62 175.35 3doa n VAL 154 N 2.87 0.32 -4.27 3.82 0.31 -0.13 -4.86 118.33 116.40 3doa n VAL 154 Ca -0.16 -4.28 -0.17 0.00 -0.01 0.00 0.00 64.34 59.72 3doa n VAL 154 Cb 0.53 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 3doa n VAL 154 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3doa s MET 155 N -1.13 1.11 0.66 5.55 -1.94 -1.26 -2.36 119.30 119.93 3doa s MET 155 Ca 0.33 -1.40 0.37 0.00 -1.71 0.00 0.00 55.69 53.28 3doa s MET 155 Cb 0.07 -0.84 2.02 0.00 2.01 0.00 0.00 34.83 38.09 3doa s MET 155 CO -0.13 0.14 2.14 -1.35 -0.01 0.00 0.00 175.02 175.80 3doa h PRO 156 N 3.02 0.00 -0.28 2.03 0.11 -1.78 -1.77 132.00 133.33 3doa h PRO 156 Ca -0.38 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3doa h PRO 156 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3doa h PRO 156 CO 0.58 0.00 0.18 0.78 -0.21 0.00 0.00 178.00 179.34 3doa h GLY 157 N 0.00 0.34 -2.06 -0.55 0.00 -1.90 -3.40 103.07 95.50 3doa h GLY 157 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 47.33 46.66 3doa h GLY 157 CO 0.00 0.11 -0.50 -1.36 0.00 0.00 0.00 176.54 174.79 3doa s PHE 158 N -5.31 2.64 -0.09 5.60 0.08 -0.67 -4.59 117.98 115.66 3doa s PHE 158 Ca -0.07 -0.51 -0.28 0.00 0.12 0.00 0.00 56.93 56.20 3doa s PHE 158 Cb 0.18 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 3doa s PHE 158 CO 0.71 0.21 0.91 -0.80 -0.10 0.00 0.00 175.22 176.14 3doa s ASN 159 N -3.91 7.17 0.23 1.36 0.01 -1.26 0.82 114.94 119.37 3doa s ASN 159 Ca 0.41 1.43 -0.31 0.00 -0.71 0.00 0.00 52.86 53.67 3doa s ASN 159 Cb 0.01 -2.51 -0.12 0.00 0.41 0.00 0.00 41.25 39.04 3doa s ASN 159 CO 0.23 -0.33 1.66 -0.47 -1.51 0.00 0.00 177.10 176.68 3doa s TYR 160 N 1.58 2.87 -0.07 2.20 5.04 -0.33 -4.89 117.35 123.75 3doa s TYR 160 Ca 0.45 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.65 3doa s TYR 160 Cb -0.18 -4.09 -0.00 0.00 0.35 0.00 0.00 41.96 38.03 3doa s TYR 160 CO 0.19 -3.97 -0.22 -1.21 -1.34 0.00 0.00 175.55 169.00 3doa s GLU 161 N 0.61 2.50 1.12 4.97 0.41 -1.26 -5.03 118.70 122.01 3doa s GLU 161 Ca 0.70 -0.80 -0.18 0.00 -0.41 0.00 0.00 54.97 54.29 3doa s GLU 161 Cb -0.48 -2.03 0.16 0.00 -1.78 0.00 0.00 34.13 29.99 3doa s GLU 161 CO 0.37 0.26 0.19 0.00 -0.49 0.00 0.00 175.26 175.60 3doa n ALA 162 N 3.23 -3.12 -1.00 5.21 0.00 -1.26 -4.96 120.51 118.62 3doa n ALA 162 Ca -0.18 -1.28 -0.29 0.00 0.00 0.00 0.00 53.44 51.69 3doa n ALA 162 Cb 0.52 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.88 3doa n ALA 162 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3doa s PRO 163 N -3.61 -0.45 0.00 0.00 0.02 -1.26 -4.98 135.00 124.72 3doa s PRO 163 Ca 0.50 0.39 0.00 0.00 0.02 0.00 0.00 61.00 61.91 3doa s PRO 163 Cb -0.10 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.78 3doa s PRO 163 CO 0.54 -3.30 0.50 -2.30 -0.33 0.00 0.00 177.00 172.11 3doa n PRO 164 N -4.55 0.00 0.00 5.54 -0.02 -1.26 -5.01 135.00 129.70 3doa n PRO 164 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3doa n PRO 164 Cb 0.58 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 3doa n PRO 164 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3doa n THR 165 N -0.85 0.00 -1.75 3.45 -1.04 -1.26 -4.84 114.28 107.99 3doa n THR 165 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 3doa n THR 165 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 3doa n THR 165 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3doa n GLN 166 N 0.12 1.29 -3.38 -2.82 7.27 -1.26 -4.96 117.38 113.63 3doa n GLN 166 Ca 0.00 -3.04 -0.25 0.00 0.07 0.00 0.00 57.00 53.78 3doa n GLN 166 Cb 0.00 -1.32 0.02 0.00 2.41 0.00 0.00 30.24 31.35 3doa n GLN 166 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3doa n HIS 167 N -0.83 -2.76 -3.15 3.69 -0.00 -1.26 -4.95 115.22 105.95 3doa n HIS 167 Ca 0.16 1.13 -0.20 0.00 -0.00 0.00 0.00 57.72 58.81 3doa n HIS 167 Cb 0.77 -2.77 0.04 0.00 -0.00 0.00 0.00 29.99 28.03 3doa n HIS 167 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3doa s LYS 168 N -3.11 2.40 0.14 -1.40 1.02 -1.26 -5.02 119.74 112.50 3doa s LYS 168 Ca 0.23 -1.62 0.08 0.00 0.02 0.00 0.00 55.97 54.68 3doa s LYS 168 Cb -0.03 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3doa s LYS 168 CO 0.84 -0.71 -0.11 0.42 -0.92 0.00 0.00 175.35 174.88 3doa s ILE 169 N -2.62 3.22 -0.37 2.17 1.09 0.24 -4.79 121.20 120.14 3doa s ILE 169 Ca 0.57 -1.46 -0.25 0.00 -1.10 0.00 0.00 60.65 58.41 3doa s ILE 169 Cb -0.06 -2.54 0.01 0.00 -1.06 0.00 0.00 42.46 38.82 3doa s ILE 169 CO 0.35 0.02 0.91 0.21 -0.10 0.00 0.00 174.94 176.33 3doa s ASN 170 N -2.45 6.65 0.64 3.58 3.84 -1.26 -0.07 114.94 125.87 3doa s ASN 170 Ca 0.22 0.53 0.33 0.00 0.21 0.00 0.00 52.86 54.15 3doa s ASN 170 Cb -0.10 -2.45 1.83 0.00 -0.55 0.00 0.00 41.25 39.97 3doa s ASN 170 CO 0.14 -0.85 2.08 1.55 -2.79 0.00 0.00 177.10 177.23 3doa h PRO 171 N 8.50 0.00 0.00 0.43 0.13 -1.94 0.59 132.00 139.72 3doa h PRO 171 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3doa h PRO 171 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3doa h PRO 171 CO 0.97 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 3doa n TYR 172 N -3.24 0.46 -0.56 1.56 4.01 -1.26 -3.68 117.16 114.45 3doa n TYR 172 Ca -0.01 0.14 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 3doa n TYR 172 Cb 0.31 -0.73 0.36 0.00 -0.31 0.00 0.00 39.34 38.97 3doa n TYR 172 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3doa n ASP 173 N -1.88 4.73 -3.88 7.72 8.00 0.21 -4.93 116.55 126.52 3doa n ASP 173 Ca 0.06 -2.46 -0.11 0.00 0.71 0.00 0.00 54.79 52.99 3doa n ASP 173 Cb 0.36 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 3doa n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3doa s ILE 174 N -1.89 0.06 0.33 0.53 2.07 -1.24 -5.02 121.20 116.04 3doa s ILE 174 Ca 0.50 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 3doa s ILE 174 Cb 0.33 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.60 3doa s ILE 174 CO 0.24 -0.26 0.47 0.42 -1.91 0.00 0.00 174.94 173.90 3doa s THR 175 N -0.86 4.14 0.21 4.00 -4.23 -1.26 -4.98 115.64 112.66 3doa s THR 175 Ca -0.10 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 3doa s THR 175 Cb -0.06 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.51 3doa s THR 175 CO 0.01 -0.18 1.80 1.23 -0.54 0.00 0.00 174.62 176.94 3doa h GLY 176 N 0.88 1.25 0.83 3.99 0.00 -1.96 -1.01 103.07 107.05 3doa h GLY 176 Ca -0.46 -0.63 0.11 0.00 0.00 0.00 0.00 47.33 46.35 3doa h GLY 176 CO 0.53 0.60 0.49 0.00 0.00 0.00 0.00 176.54 178.16 3doa h ALA 177 N 1.20 1.89 0.14 3.60 0.00 -1.96 -2.59 119.26 121.55 3doa h ALA 177 Ca 0.28 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 3doa h ALA 177 Cb 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3doa h ALA 177 CO -0.03 -0.06 -1.27 0.93 0.00 0.00 0.00 179.25 178.82 3doa h GLU 178 N 0.60 0.34 -1.17 0.00 5.08 -1.66 -3.24 114.58 114.52 3doa h GLU 178 Ca 0.35 -0.56 0.35 0.00 -1.00 0.00 0.00 59.36 58.51 3doa h GLU 178 Cb 0.56 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.91 3doa h GLU 178 CO -0.13 1.26 0.75 0.28 -1.00 0.00 0.00 179.01 180.17 3doa h VAL 179 N 0.10 0.31 -0.74 3.13 2.07 -0.81 -2.73 116.25 117.59 3doa h VAL 179 Ca -0.15 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 67.41 3doa h VAL 179 Cb 1.98 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 3doa h VAL 179 CO 0.22 0.04 0.32 -0.07 0.02 0.00 0.00 177.57 178.10 3doa h LEU 180 N 0.23 0.34 -1.91 2.57 3.38 -1.58 0.12 115.31 118.46 3doa h LEU 180 Ca 0.71 0.09 0.53 0.00 0.09 0.00 0.00 57.88 59.30 3doa h LEU 180 Cb 2.05 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.77 3doa h LEU 180 CO -0.37 0.16 1.27 0.11 0.09 0.00 0.00 178.44 179.70 3doa h LYS 181 N 0.49 0.01 -0.59 1.13 1.57 -1.72 -0.51 116.57 116.95 3doa h LYS 181 Ca 0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3doa h LYS 181 Cb 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3doa h LYS 181 CO -0.36 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.19 3doa n TYR 182 N -4.09 0.95 -4.53 -1.35 4.01 0.43 -4.94 117.16 107.64 3doa n TYR 182 Ca 0.41 -0.54 -0.29 0.00 -0.16 0.00 0.00 57.90 57.33 3doa n TYR 182 Cb 1.85 -0.07 -0.17 0.00 -0.31 0.00 0.00 39.34 40.64 3doa n TYR 182 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3doa s ILE 183 N -1.25 1.54 -0.44 -0.72 -1.09 -0.20 -4.98 121.20 114.07 3doa s ILE 183 Ca 0.42 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 3doa s ILE 183 Cb 0.24 -1.40 0.05 0.00 -1.58 0.00 0.00 42.46 39.77 3doa s ILE 183 CO 0.26 0.45 0.34 -0.62 -1.23 0.00 0.00 174.94 174.14 3doa s ASP 184 N 0.90 6.09 0.37 3.58 -1.08 -1.26 -4.96 116.67 120.32 3doa s ASP 184 Ca -0.08 -1.13 0.13 0.00 -0.52 0.00 0.00 52.55 50.95 3doa s ASP 184 Cb -0.15 -2.16 0.73 0.00 -1.46 0.00 0.00 42.92 39.88 3doa s ASP 184 CO -0.00 -0.54 1.83 -0.26 0.52 0.00 0.00 175.17 176.71 3doa h PHE 185 N 8.67 0.00 0.00 -5.34 -1.00 -1.98 -1.95 116.94 115.34 3doa h PHE 185 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 3doa h PHE 185 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 3doa h PHE 185 CO 0.59 0.37 0.00 0.09 -1.61 0.00 0.00 178.31 177.75 3doa n ASN 186 N -4.08 0.00 0.03 2.17 3.02 -1.26 -4.13 115.26 111.00 3doa n ASN 186 Ca -0.02 0.46 -0.19 0.00 -0.03 0.00 0.00 54.58 54.80 3doa n ASN 186 Cb 0.41 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 3doa n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3doa h ALA 187 N 2.39 0.11 -2.95 5.41 0.00 -1.78 -3.50 119.26 118.95 3doa h ALA 187 Ca 0.00 -0.64 -0.53 0.00 0.00 0.00 0.00 54.91 53.73 3doa h ALA 187 Cb 0.18 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.62 3doa h ALA 187 CO 0.00 0.55 -0.77 0.20 0.00 0.00 0.00 179.25 179.23 3doa s GLY 188 N -4.21 0.63 -0.96 0.00 0.00 -1.26 -5.09 107.32 96.43 3doa s GLY 188 Ca -0.11 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.40 3doa s GLY 188 CO 0.88 1.86 0.99 -1.31 0.00 0.00 0.00 173.10 175.52 3doa s ASN 189 N 1.97 6.94 0.24 1.64 0.01 -1.26 -4.92 114.94 119.56 3doa s ASN 189 Ca 0.07 -2.89 -0.09 0.00 -0.71 0.00 0.00 52.86 49.24 3doa s ASN 189 Cb -0.16 -2.26 0.38 0.00 0.41 0.00 0.00 41.25 39.62 3doa s ASN 189 CO -0.28 -0.58 1.62 0.40 -1.51 0.00 0.00 177.10 176.76 3doa h ILE 190 N 4.59 0.30 -0.55 0.60 1.08 -1.95 0.20 117.51 121.79 3doa h ILE 190 Ca 0.16 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.69 3doa h ILE 190 Cb 0.97 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 3doa h ILE 190 CO 0.93 0.01 0.17 0.00 -0.69 0.00 0.00 178.15 178.57 3doa h ALA 191 N 1.72 0.67 -0.39 1.87 0.00 -1.91 -0.69 119.26 120.53 3doa h ALA 191 Ca 0.39 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.40 3doa h ALA 191 Cb 0.65 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3doa h ALA 191 CO -0.71 -0.23 0.26 -0.22 0.00 0.00 0.00 179.25 178.34 3doa h LYS 192 N 0.34 0.46 -0.20 0.00 3.64 -1.03 0.57 116.57 120.35 3doa h LYS 192 Ca 0.27 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.41 3doa h LYS 192 Cb 0.33 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3doa h LYS 192 CO -0.30 0.30 -0.70 1.96 -2.27 0.00 0.00 179.45 178.45 3doa h GLN 193 N 0.47 0.82 -0.46 1.90 4.20 -0.60 -1.20 115.11 120.25 3doa h GLN 193 Ca 0.15 -0.62 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 3doa h GLN 193 Cb 0.02 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3doa h GLN 193 CO -0.03 1.24 -0.24 -0.07 -0.67 0.00 0.00 178.83 179.05 3doa h LEU 194 N 0.58 1.00 -1.06 1.46 3.38 -0.36 -2.53 115.31 117.78 3doa h LEU 194 Ca -0.03 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3doa h LEU 194 Cb 1.32 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3doa h LEU 194 CO 0.15 1.19 0.62 0.25 0.09 0.00 0.00 178.44 180.74 3doa h LEU 195 N 0.82 1.09 -1.11 1.67 5.85 -0.83 -2.62 115.31 120.18 3doa h LEU 195 Ca 0.10 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3doa h LEU 195 Cb 0.83 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3doa h LEU 195 CO 0.07 0.79 0.00 0.78 -0.34 0.00 0.00 178.44 179.75 3doa h ASN 196 N 1.28 0.00 0.00 1.25 2.35 -0.82 -3.33 115.58 116.32 3doa h ASN 196 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3doa h ASN 196 Cb -0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3doa h ASN 196 CO -0.07 0.00 -0.81 0.00 -1.65 0.00 0.00 177.43 174.90 3doa n GLN 197 N -3.01 2.55 -4.71 0.81 3.00 -0.99 -4.93 117.38 110.11 3doa n GLN 197 Ca 0.01 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 3doa n GLN 197 Cb 0.34 -1.07 -0.16 0.00 0.00 0.00 0.00 30.24 29.35 3doa n GLN 197 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3doa s PHE 198 N -2.21 2.68 0.19 1.08 0.08 -1.05 -0.59 117.98 118.15 3doa s PHE 198 Ca 0.01 -1.23 -0.31 0.00 0.12 0.00 0.00 56.93 55.52 3doa s PHE 198 Cb 0.07 -1.82 -0.10 0.00 -0.57 0.00 0.00 43.02 40.61 3doa s PHE 198 CO 0.43 -0.55 1.52 -2.00 -0.10 0.00 0.00 175.22 174.51 3doa s GLU 199 N 0.75 4.24 0.00 0.44 2.12 0.90 -2.93 118.70 124.20 3doa s GLU 199 Ca -0.08 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.57 3doa s GLU 199 Cb -0.16 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3doa s GLU 199 CO -0.00 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3doa n GLY 200 N 3.24 0.46 3.84 -1.50 0.00 -1.24 -4.60 105.19 105.38 3doa n GLY 200 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3doa n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3doa s PHE 201 N -2.11 3.30 0.09 1.61 0.08 -1.15 -0.80 117.98 119.00 3doa s PHE 201 Ca 0.00 1.39 0.02 0.00 0.12 0.00 0.00 56.93 58.45 3doa s PHE 201 Cb 0.00 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3doa s PHE 201 CO 0.00 -0.99 -0.06 -1.54 -0.10 0.00 0.00 175.22 172.53 3doa s SER 202 N -3.79 1.08 0.21 1.36 1.04 -1.26 -4.83 113.70 107.51 3doa s SER 202 Ca 0.58 -0.97 -0.16 0.00 0.48 0.00 0.00 55.95 55.88 3doa s SER 202 Cb -0.13 0.10 0.22 0.00 0.10 0.00 0.00 66.02 66.31 3doa s SER 202 CO 0.52 -0.45 1.40 -2.65 0.98 0.00 0.00 173.24 173.03 3doa n PRO 203 N 0.09 -0.21 -0.13 4.02 -0.02 -1.26 -0.29 135.00 137.20 3doa n PRO 203 Ca -0.13 1.39 -0.07 0.00 -2.02 0.00 0.00 63.50 62.66 3doa n PRO 203 Cb 0.60 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3doa n PRO 203 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3doa h LEU 204 N 0.00 -1.06 -0.02 2.45 3.38 -1.97 0.47 115.31 118.57 3doa h LEU 204 Ca 0.32 0.19 -0.26 0.00 0.09 0.00 0.00 57.88 58.22 3doa h LEU 204 Cb 0.54 0.50 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3doa h LEU 204 CO -0.89 -0.31 -1.10 -0.29 0.09 0.00 0.00 178.44 175.93 3doa h ILE 205 N -0.23 1.38 -0.36 1.22 6.09 -1.56 -0.80 117.51 123.25 3doa h ILE 205 Ca 0.18 -2.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.12 3doa h ILE 205 Cb 0.53 2.60 -0.02 0.00 0.47 0.00 0.00 36.82 40.41 3doa h ILE 205 CO -0.55 0.77 0.23 0.71 -3.07 0.00 0.00 178.15 176.23 3doa h THR 206 N 0.23 1.11 -0.62 2.19 1.35 -0.19 -1.16 112.91 115.81 3doa h THR 206 Ca -0.13 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 3doa h THR 206 Cb 1.77 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 3doa h THR 206 CO 0.20 0.10 0.22 0.78 -0.25 0.00 0.00 175.52 176.57 3doa h ASN 207 N 0.48 0.88 -0.84 5.36 -0.26 -0.05 -2.40 115.58 118.74 3doa h ASN 207 Ca 0.13 -0.19 0.12 0.00 -0.56 0.00 0.00 56.30 55.80 3doa h ASN 207 Cb -0.03 -0.23 -0.08 0.00 -1.06 0.00 0.00 38.32 36.92 3doa h ASN 207 CO -0.03 0.83 0.46 -0.08 -1.06 0.00 0.00 177.43 177.55 3doa h GLU 208 N 0.87 0.68 0.17 0.81 4.57 -0.72 -1.38 114.58 119.59 3doa h GLU 208 Ca 0.20 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3doa h GLU 208 Cb 0.25 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3doa h GLU 208 CO -0.01 0.45 -0.08 0.82 -1.18 0.00 0.00 179.01 179.01 3doa h ILE 209 N 0.70 0.95 -1.02 2.32 2.04 -0.75 -2.90 117.51 118.84 3doa h ILE 209 Ca 0.43 -0.77 0.25 0.00 1.00 0.00 0.00 64.86 65.78 3doa h ILE 209 Cb 0.52 1.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.88 3doa h ILE 209 CO -0.31 0.17 0.63 0.58 0.00 0.00 0.00 178.15 179.22 3doa h VAL 210 N -0.62 0.54 0.00 1.67 2.07 -1.36 -0.39 116.25 118.15 3doa h VAL 210 Ca -0.02 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3doa h VAL 210 Cb 0.46 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3doa h VAL 210 CO 0.04 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.18 3doa n SER 211 N -4.77 0.00 -1.61 0.57 3.41 -0.53 -4.07 113.62 106.62 3doa n SER 211 Ca 0.26 -0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.58 3doa n SER 211 Cb 0.79 -0.07 0.35 0.00 -0.26 0.00 0.00 64.21 65.03 3doa n SER 211 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3doa n ARG 212 N -1.07 3.88 -3.90 4.33 5.12 -0.16 -4.85 116.66 120.01 3doa n ARG 212 Ca 0.11 -2.80 -0.08 0.00 -1.93 0.00 0.00 57.85 53.15 3doa n ARG 212 Cb 0.07 -1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 29.37 3doa n ARG 212 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3doa s ARG 213 N -2.03 1.59 0.26 5.56 1.81 -1.26 -4.84 118.95 120.05 3doa s ARG 213 Ca 0.50 -1.08 0.12 0.00 -1.72 0.00 0.00 55.73 53.55 3doa s ARG 213 Cb 0.33 0.53 0.23 0.00 -0.45 0.00 0.00 34.95 35.59 3doa s ARG 213 CO 0.22 -0.69 1.52 0.37 -0.68 0.00 0.00 175.30 176.04 3doa h GLN 214 N 2.16 0.00 -3.90 3.54 4.15 -1.88 -3.45 115.11 115.74 3doa h GLN 214 Ca -0.24 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 58.99 3doa h GLN 214 Cb 1.25 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.71 3doa h GLN 214 CO 0.32 0.64 -0.71 -0.06 -1.93 0.00 0.00 178.83 177.09 3doa s PHE 215 N -3.24 0.17 -0.28 3.99 0.08 -1.26 -5.09 117.98 112.35 3doa s PHE 215 Ca 0.01 -0.34 -0.15 0.00 0.12 0.00 0.00 56.93 56.56 3doa s PHE 215 Cb 0.11 -0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 3doa s PHE 215 CO 0.76 -0.12 0.39 -1.64 -0.10 0.00 0.00 175.22 174.50 3doa s MET 216 N -0.95 3.93 0.25 0.44 -1.94 -1.26 -4.73 119.30 115.04 3doa s MET 216 Ca -0.10 -0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.80 3doa s MET 216 Cb -0.07 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.07 3doa s MET 216 CO -0.01 -0.34 0.36 0.95 -0.01 0.00 0.00 175.02 175.97 3doa s THR 217 N 2.10 0.00 0.53 2.05 -4.23 -1.26 -4.96 115.64 109.87 3doa s THR 217 Ca 0.15 -1.66 0.19 0.00 -1.18 0.00 0.00 61.69 59.20 3doa s THR 217 Cb -0.16 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.58 3doa s THR 217 CO 0.10 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.10 3doa h SER 218 N 2.34 0.00 0.42 3.99 4.64 -2.00 -0.59 113.55 122.35 3doa h SER 218 Ca -0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.78 3doa h SER 218 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3doa h SER 218 CO 0.42 0.00 -1.05 0.28 -0.87 0.00 0.00 176.83 175.61 3doa h SER 219 N 0.00 0.51 0.30 4.97 0.02 -1.97 -3.41 113.55 113.97 3doa h SER 219 Ca 0.02 -0.45 -0.33 0.00 -0.84 0.00 0.00 61.79 60.19 3doa h SER 219 Cb 0.10 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3doa h SER 219 CO -0.00 1.28 -1.90 0.35 -1.14 0.00 0.00 176.83 175.42 3doa n THR 220 N -3.68 1.66 0.01 -2.27 -2.24 -0.77 -4.18 114.28 102.81 3doa n THR 220 Ca -0.08 -0.73 -0.10 0.00 -2.27 0.00 0.00 64.05 60.87 3doa n THR 220 Cb 0.90 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 3doa n THR 220 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3doa h LEU 221 N 0.03 -0.23 -0.66 3.22 5.85 -1.36 -0.21 115.31 121.96 3doa h LEU 221 Ca -0.37 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.52 3doa h LEU 221 Cb 2.03 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 43.09 3doa h LEU 221 CO 0.07 -0.10 0.18 -0.65 -0.34 0.00 0.00 178.44 177.60 3doa h PRO 222 N -0.09 0.31 -0.49 5.25 0.11 -1.78 -0.26 132.00 135.05 3doa h PRO 222 Ca 0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3doa h PRO 222 Cb 0.17 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3doa h PRO 222 CO -0.14 0.20 0.27 0.93 -0.21 0.00 0.00 178.00 179.05 3doa h GLU 223 N 0.32 0.51 0.71 1.05 5.08 -1.43 -1.02 114.58 119.79 3doa h GLU 223 Ca 0.35 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3doa h GLU 223 Cb 0.54 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3doa h GLU 223 CO -0.41 0.34 -0.34 0.00 -1.00 0.00 0.00 179.01 177.60 3doa h ALA 224 N 1.24 -0.95 -0.78 3.43 0.00 0.53 -1.17 119.26 121.57 3doa h ALA 224 Ca 0.21 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3doa h ALA 224 Cb 0.08 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3doa h ALA 224 CO -0.12 -0.95 -0.55 0.35 0.00 0.00 0.00 179.25 177.98 3doa h PHE 225 N -1.12 -1.75 -0.07 0.00 3.57 -1.09 0.10 116.94 116.58 3doa h PHE 225 Ca -0.10 0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3doa h PHE 225 Cb 0.75 0.87 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 3doa h PHE 225 CO -0.00 -0.39 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.22 3doa h ASP 226 N -0.12 -0.10 -0.59 0.41 3.32 -1.16 0.28 116.42 118.46 3doa h ASP 226 Ca 0.13 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.32 3doa h ASP 226 Cb 0.44 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 39.95 3doa h ASP 226 CO -0.79 -0.04 -0.09 -0.08 -1.72 0.00 0.00 179.24 176.51 3doa h GLU 227 N -0.02 0.04 -0.26 3.56 4.81 -0.38 0.21 114.58 122.55 3doa h GLU 227 Ca 0.04 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3doa h GLU 227 Cb 0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3doa h GLU 227 CO -0.09 0.03 -0.13 0.28 -0.73 0.00 0.00 179.01 178.36 3doa h VAL 228 N 0.04 1.30 -0.27 0.32 2.07 0.12 -2.29 116.25 117.53 3doa h VAL 228 Ca 0.29 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3doa h VAL 228 Cb 0.46 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3doa h VAL 228 CO -0.57 0.38 -0.15 0.24 0.02 0.00 0.00 177.57 177.49 3doa h MET 229 N 0.27 0.47 -0.28 1.57 2.86 -0.03 -1.48 114.93 118.30 3doa h MET 229 Ca 0.06 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3doa h MET 229 Cb 0.65 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3doa h MET 229 CO 0.04 0.62 0.11 0.00 1.06 0.00 0.00 176.91 178.73 3doa h ALA 230 N 1.41 0.32 -0.15 6.32 0.00 -0.50 -2.23 119.26 124.44 3doa h ALA 230 Ca 0.08 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3doa h ALA 230 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3doa h ALA 230 CO 0.03 -0.30 0.10 0.93 0.00 0.00 0.00 179.25 180.02 3doa h GLU 231 N 0.24 0.03 0.00 0.00 5.08 -0.71 -0.85 114.58 118.37 3doa h GLU 231 Ca 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3doa h GLU 231 Cb 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3doa h GLU 231 CO -0.12 0.02 -0.07 1.79 -1.00 0.00 0.00 179.01 179.63 3doa h THR 232 N 0.03 0.33 -0.00 1.13 1.35 -0.73 -1.16 112.91 113.86 3doa h THR 232 Ca 0.07 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3doa h THR 232 Cb 0.23 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3doa h THR 232 CO -0.00 0.07 -0.16 0.29 -0.25 0.00 0.00 175.52 175.46 3doa n LYS 233 N -3.41 0.43 -2.79 4.72 5.02 -0.33 -4.83 118.16 116.97 3doa n LYS 233 Ca -0.02 -0.15 -0.28 0.00 -2.02 0.00 0.00 58.31 55.84 3doa n LYS 233 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3doa n LYS 233 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3doa s LEU 234 N -2.68 3.74 0.49 -0.35 1.02 -0.44 -5.03 118.68 115.44 3doa s LEU 234 Ca 0.22 0.96 -0.24 0.00 0.02 0.00 0.00 54.13 55.10 3doa s LEU 234 Cb 0.19 -3.88 -0.07 0.00 0.02 0.00 0.00 46.19 42.45 3doa s LEU 234 CO 0.53 -0.48 1.32 -0.81 0.02 0.00 0.00 176.35 176.93 3doa n PRO 235 N -1.82 1.85 -2.45 1.29 -0.04 -1.26 -4.94 135.00 127.63 3doa n PRO 235 Ca 0.01 0.67 -0.24 0.00 -0.04 0.00 0.00 63.50 63.89 3doa n PRO 235 Cb 0.55 -2.50 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 3doa n PRO 235 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3doa s PRO 236 N -2.54 2.51 -0.49 0.54 0.04 -1.26 -5.03 135.00 128.76 3doa s PRO 236 Ca 0.66 -0.41 -0.07 0.00 0.04 0.00 0.00 61.00 61.22 3doa s PRO 236 Cb -0.45 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 31.88 3doa s PRO 236 CO 0.54 -0.89 0.34 0.99 0.04 0.00 0.00 177.00 178.02 3doa s THR 237 N -2.98 4.02 -0.01 1.26 2.01 0.31 -5.01 115.64 115.24 3doa s THR 237 Ca 0.57 -1.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.28 3doa s THR 237 Cb -0.10 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 3doa s THR 237 CO 0.42 -0.78 1.76 -2.84 -0.69 0.00 0.00 174.62 172.49 3doa s PRO 238 N 1.13 4.17 -0.08 4.92 0.02 -1.26 -2.96 135.00 140.94 3doa s PRO 238 Ca 0.08 2.35 -0.05 0.00 0.02 0.00 0.00 61.00 63.40 3doa s PRO 238 Cb -0.24 -4.00 0.03 0.00 0.02 0.00 0.00 34.50 30.31 3doa s PRO 238 CO -0.02 -0.87 0.19 -1.50 -0.33 0.00 0.00 177.00 174.46 3doa s ILE 239 N 4.01 -0.03 -0.13 2.83 2.07 -0.91 -1.01 121.20 128.03 3doa s ILE 239 Ca 0.79 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 60.08 3doa s ILE 239 Cb -0.37 -0.29 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 3doa s ILE 239 CO 0.34 0.04 0.07 0.12 -1.91 0.00 0.00 174.94 173.60 3doa s PHE 240 N 0.82 3.33 0.00 3.50 5.36 0.13 -1.50 117.98 129.62 3doa s PHE 240 Ca -0.06 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 3doa s PHE 240 Cb -0.08 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 3doa s PHE 240 CO -0.05 0.44 0.00 1.58 -1.46 0.00 0.00 175.22 175.73 3doa n HIS 241 N 2.59 0.00 -3.69 10.12 -0.00 -0.58 -1.73 115.22 121.93 3doa n HIS 241 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.39 3doa n HIS 241 Cb 0.54 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.38 3doa n HIS 241 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3doa s ASN 243 N -0.83 0.41 -0.07 0.26 3.84 -0.73 -1.69 114.94 116.14 3doa s ASN 243 Ca 0.00 0.39 0.05 0.00 0.21 0.00 0.00 52.86 53.52 3doa s ASN 243 Cb 0.00 0.35 -0.24 0.00 -0.55 0.00 0.00 41.25 40.81 3doa s ASN 243 CO 0.00 -0.22 0.55 1.41 -2.79 0.00 0.00 177.10 176.05 3doa n HIS 244 N 5.01 1.10 -0.29 0.43 8.25 -1.26 -0.59 115.22 127.86 3doa n HIS 244 Ca -0.11 0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 57.60 3doa n HIS 244 Cb 0.50 -1.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.40 3doa n HIS 244 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3doa h GLU 245 N 0.03 -0.13 0.02 -0.41 4.57 -2.03 -3.30 114.58 113.34 3doa h GLU 245 Ca -0.34 0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.61 3doa h GLU 245 Cb 2.02 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.61 3doa h GLU 245 CO 0.08 -0.08 -1.20 1.15 -1.18 0.00 0.00 179.01 177.77 3doa h THR 246 N -0.13 1.48 0.00 0.32 2.02 -2.05 -3.47 112.91 111.07 3doa h THR 246 Ca 0.21 -3.20 0.00 0.00 0.77 0.00 0.00 66.41 64.19 3doa h THR 246 Cb 0.54 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3doa h THR 246 CO -0.81 0.86 0.00 0.61 0.37 0.00 0.00 175.52 176.55 3doa n GLY 247 N 1.43 2.78 3.55 2.16 0.00 0.24 -5.04 105.19 110.31 3doa n GLY 247 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3doa n GLY 247 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3doa n LYS 248 N -1.93 0.56 -4.41 1.61 4.81 -1.20 -4.74 118.16 112.86 3doa n LYS 248 Ca 0.00 0.23 -0.21 0.00 -0.87 0.00 0.00 58.31 57.47 3doa n LYS 248 Cb 0.00 -2.02 -0.13 0.00 0.02 0.00 0.00 35.03 32.90 3doa n LYS 248 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3doa s GLU 249 N -2.81 1.00 0.19 1.64 2.02 -1.26 -1.77 118.70 117.71 3doa s GLU 249 Ca 0.72 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.87 3doa s GLU 249 Cb -0.38 -1.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 3doa s GLU 249 CO 0.52 0.25 0.29 -0.51 0.02 0.00 0.00 175.26 175.84 3doa s ASP 250 N -1.08 0.04 0.07 -0.19 1.01 -0.68 -5.01 116.67 110.84 3doa s ASP 250 Ca 0.02 -1.00 -0.08 0.00 0.71 0.00 0.00 52.55 52.20 3doa s ASP 250 Cb -0.08 0.46 -0.00 0.00 1.01 0.00 0.00 42.92 44.31 3doa s ASP 250 CO 0.01 -0.94 0.17 0.72 0.21 0.00 0.00 175.17 175.34 3doa s PHE 251 N -4.02 0.16 0.00 4.23 -0.12 -1.26 -1.53 117.98 115.44 3doa s PHE 251 Ca 0.23 -0.55 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 3doa s PHE 251 Cb 0.03 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.34 3doa s PHE 251 CO 0.05 -0.50 0.00 0.98 -0.05 0.00 0.00 175.22 175.70 3doa n TYR 252 N 0.14 -0.61 0.20 3.49 9.36 -0.56 -4.94 117.16 124.23 3doa n TYR 252 Ca -0.16 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.09 3doa n TYR 252 Cb 0.61 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.35 3doa n TYR 252 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 3doa n PHE 253 N 0.00 0.03 -4.20 2.98 1.16 -1.26 -2.14 117.46 114.03 3doa n PHE 253 Ca 0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 57.45 55.41 3doa n PHE 253 Cb 0.00 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 3doa n PHE 253 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 3doa s ILE 254 N -0.53 0.01 -0.19 1.97 -4.36 -1.16 0.11 121.20 117.06 3doa s ILE 254 Ca 0.07 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.27 3doa s ILE 254 Cb 0.05 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 3doa s ILE 254 CO 0.07 -0.03 0.59 -1.59 0.24 0.00 0.00 174.94 174.22 3doa s LYS 255 N -4.15 4.23 -0.17 0.37 -2.85 -1.26 -4.84 119.74 111.06 3doa s LYS 255 Ca 0.38 0.57 -0.04 0.00 -1.00 0.00 0.00 55.97 55.88 3doa s LYS 255 Cb 0.07 -3.56 -0.02 0.00 -2.06 0.00 0.00 37.83 32.26 3doa s LYS 255 CO 0.11 -0.17 -0.04 -0.51 0.10 0.00 0.00 175.35 174.84 3doa s LEU 256 N 1.69 3.13 0.11 2.77 1.43 -1.26 -4.91 118.68 121.63 3doa s LEU 256 Ca 0.28 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3doa s LEU 256 Cb -0.16 -1.77 0.14 0.00 0.03 0.00 0.00 46.19 44.44 3doa s LEU 256 CO 0.11 0.11 0.81 -0.46 0.23 0.00 0.00 176.35 177.14 3doa n ASN 257 N 3.93 0.07 -0.52 2.29 0.23 -1.26 0.42 115.26 120.42 3doa n ASN 257 Ca -0.17 0.26 0.10 0.00 -0.53 0.00 0.00 54.58 54.24 3doa n ASN 257 Cb 0.52 -0.21 0.38 0.00 -2.08 0.00 0.00 39.78 38.38 3doa n ASN 257 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 3doa n GLN 258 N -1.42 1.68 0.01 -3.83 7.27 -1.26 -4.31 117.38 115.52 3doa n GLN 258 Ca -0.00 -1.03 0.11 0.00 0.07 0.00 0.00 57.00 56.15 3doa n GLN 258 Cb 0.38 -1.38 -0.12 0.00 2.41 0.00 0.00 30.24 31.53 3doa n GLN 258 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3doa n PHE 259 N 0.26 0.15 -1.43 3.69 3.72 1.41 -4.87 117.46 120.39 3doa n PHE 259 Ca 0.16 0.04 -0.49 0.00 -0.05 0.00 0.00 57.45 57.11 3doa n PHE 259 Cb 0.31 -0.49 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3doa n PHE 259 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3doa n ASN 260 N -2.18 -0.84 0.00 4.37 0.23 -1.26 -4.32 115.26 111.26 3doa n ASN 260 Ca -0.02 1.14 0.00 0.00 -0.53 0.00 0.00 54.58 55.17 3doa n ASN 260 Cb 0.52 -0.98 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 3doa n ASN 260 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3doa n ASP 261 N 1.88 0.00 -4.79 0.53 -0.08 -1.26 -4.95 116.55 107.88 3doa n ASP 261 Ca 0.18 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.10 3doa n ASP 261 Cb 0.23 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 3doa n ASP 261 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3doa s ASP 262 N -1.00 6.90 -0.29 1.67 2.15 -1.26 -5.06 116.67 119.78 3doa s ASP 262 Ca 0.00 1.94 -0.17 0.00 0.43 0.00 0.00 52.55 54.75 3doa s ASP 262 Cb 0.00 -2.58 0.13 0.00 -0.30 0.00 0.00 42.92 40.18 3doa s ASP 262 CO 0.00 -0.39 0.93 0.42 -0.17 0.00 0.00 175.17 175.97 3doa s THR 263 N -1.73 0.00 -0.10 1.71 -4.23 -1.26 -4.37 115.64 105.66 3doa s THR 263 Ca 0.57 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 3doa s THR 263 Cb -0.19 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3doa s THR 263 CO 0.24 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.60 3doa s VAL 264 N 1.29 4.00 0.31 2.29 1.01 -0.71 -4.94 120.40 123.65 3doa s VAL 264 Ca -0.08 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3doa s VAL 264 Cb -0.04 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3doa s VAL 264 CO -0.15 0.58 0.01 0.42 0.00 0.00 0.00 175.10 175.96 3doa s THR 265 N -0.55 2.94 0.21 3.92 -4.23 -1.26 0.21 115.64 116.87 3doa s THR 265 Ca 0.09 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3doa s THR 265 Cb -0.12 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 3doa s THR 265 CO 0.02 -0.27 0.04 -0.31 -0.54 0.00 0.00 174.62 173.57 3doa s TYR 266 N -2.44 1.36 0.53 3.99 2.02 -0.18 -4.97 117.35 117.67 3doa s TYR 266 Ca 0.34 -1.09 0.26 0.00 -0.37 0.00 0.00 57.07 56.20 3doa s TYR 266 Cb -0.03 -0.78 1.59 0.00 -0.40 0.00 0.00 41.96 42.33 3doa s TYR 266 CO 0.20 -0.27 2.18 -0.44 -1.57 0.00 0.00 175.55 175.65 3doa h ASP 267 N 2.55 0.00 -4.99 2.29 5.19 -1.98 -3.37 116.42 116.10 3doa h ASP 267 Ca -0.37 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3doa h ASP 267 Cb 1.22 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 3doa h ASP 267 CO 0.62 0.04 0.27 -0.94 -3.12 0.00 0.00 179.24 176.11 3doa s SER 268 N -6.39 -0.41 0.52 6.45 1.04 -1.26 -4.98 113.70 108.67 3doa s SER 268 Ca -0.04 -0.25 0.34 0.00 0.48 0.00 0.00 55.95 56.47 3doa s SER 268 Cb 0.15 0.62 1.46 0.00 0.10 0.00 0.00 66.02 68.35 3doa s SER 268 CO 0.59 -1.06 1.99 -0.07 0.98 0.00 0.00 173.24 175.67 3doa h LEU 269 N 2.00 0.00 0.13 2.42 4.07 -1.96 -1.68 115.31 120.30 3doa h LEU 269 Ca -0.27 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.47 3doa h LEU 269 Cb 1.28 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.03 3doa h LEU 269 CO 0.31 0.00 -1.07 0.78 -1.08 0.00 0.00 178.44 177.38 3doa h ASN 270 N 0.00 0.44 -0.24 -0.43 2.35 -1.95 -0.73 115.58 115.01 3doa h ASN 270 Ca 0.00 -0.91 0.06 0.00 -0.55 0.00 0.00 56.30 54.90 3doa h ASN 270 Cb 0.40 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 3doa h ASN 270 CO 0.00 1.49 -0.13 0.44 -1.65 0.00 0.00 177.43 177.58 3doa h ASP 271 N -0.34 -0.43 -0.21 5.81 3.32 -1.83 0.15 116.42 122.89 3doa h ASP 271 Ca -0.21 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.00 3doa h ASP 271 Cb 1.70 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 41.42 3doa h ASP 271 CO 0.11 -0.17 -0.21 0.25 -1.72 0.00 0.00 179.24 177.51 3doa h LEU 272 N -0.11 -0.67 -0.29 1.55 5.85 -1.14 -1.93 115.31 118.57 3doa h LEU 272 Ca 0.13 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3doa h LEU 272 Cb 0.30 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3doa h LEU 272 CO -0.31 -0.25 0.12 -0.07 -0.34 0.00 0.00 178.44 177.59 3doa h LEU 273 N -0.23 0.41 -0.83 2.25 4.07 -0.99 -1.93 115.31 118.07 3doa h LEU 273 Ca 0.13 -0.17 0.20 0.00 0.08 0.00 0.00 57.88 58.12 3doa h LEU 273 Cb 0.42 -0.11 -0.14 0.00 1.08 0.00 0.00 40.66 41.91 3doa h LEU 273 CO -0.34 0.47 0.04 0.44 -1.08 0.00 0.00 178.44 177.97 3doa h ASP 274 N 0.33 -0.32 0.51 -0.43 3.32 0.04 -1.80 116.42 118.06 3doa h ASP 274 Ca 0.10 0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3doa h ASP 274 Cb 0.19 0.36 0.01 0.00 0.22 0.00 0.00 39.33 40.10 3doa h ASP 274 CO -0.01 -0.21 -0.25 -0.09 -1.72 0.00 0.00 179.24 176.97 3doa h ARG 275 N 0.10 -0.66 -0.80 3.56 1.12 -1.20 -3.28 114.38 113.22 3doa h ARG 275 Ca 0.47 0.05 0.23 0.00 -1.11 0.00 0.00 59.98 59.62 3doa h ARG 275 Cb 0.88 0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.96 3doa h ARG 275 CO -0.72 -0.44 0.66 0.35 -3.11 0.00 0.00 179.97 176.71 3doa h PHE 276 N -1.08 0.00 -0.54 2.20 3.57 -0.69 0.12 116.94 120.51 3doa h PHE 276 Ca -0.07 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.16 3doa h PHE 276 Cb 0.53 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.11 3doa h PHE 276 CO 0.01 0.00 0.14 0.66 -2.23 0.00 0.00 178.31 176.89 3doa n TYR 277 N -3.97 1.69 0.15 0.41 4.01 -0.74 -4.41 117.16 114.31 3doa n TYR 277 Ca 0.16 -1.63 0.03 0.00 -0.16 0.00 0.00 57.90 56.31 3doa n TYR 277 Cb 0.95 -0.62 0.17 0.00 -0.31 0.00 0.00 39.34 39.52 3doa n TYR 277 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3doa h ASP 278 N 1.11 0.00 0.00 7.72 3.58 -1.03 -3.50 116.42 124.30 3doa h ASP 278 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3doa h ASP 278 Cb 2.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.07 3doa h ASP 278 CO 0.60 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 177.46