#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xai s SER 38 N 0.00 5.48 0.38 5.87 0.15 -1.26 -4.95 113.70 119.37 2xai s SER 38 Ca 0.00 -0.08 0.11 0.00 0.70 0.00 0.00 55.95 56.68 2xai s SER 38 Cb 0.00 -1.98 0.90 0.00 -1.71 0.00 0.00 66.02 63.23 2xai s SER 38 CO 0.00 0.02 1.89 -0.65 1.20 0.00 0.00 173.24 175.70 2xai h PRO 39 N 7.83 0.58 -0.07 5.44 0.11 -2.02 -1.01 132.00 142.85 2xai h PRO 39 Ca -0.37 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 2xai h PRO 39 Cb 1.18 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.16 2xai h PRO 39 CO 0.61 0.38 -0.56 1.98 -0.21 0.00 0.00 178.00 180.20 2xai h MET 40 N 0.60 0.51 -0.59 1.05 4.05 -1.94 -1.78 114.93 116.84 2xai h MET 40 Ca 0.42 -0.45 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2xai h MET 40 Cb 0.77 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 2xai h MET 40 CO -0.18 1.09 0.31 0.45 0.23 0.00 0.00 176.91 178.82 2xai h HIS 41 N 0.09 0.81 -0.80 1.39 3.86 -1.87 -2.20 115.15 116.44 2xai h HIS 41 Ca -0.05 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2xai h HIS 41 Cb 1.23 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 2xai h HIS 41 CO 0.12 0.59 0.53 1.49 0.86 0.00 0.00 177.93 181.52 2xai h GLU 42 N 0.79 1.05 -0.09 2.45 4.57 -1.14 -0.46 114.58 121.75 2xai h GLU 42 Ca 0.21 -0.06 -0.23 0.00 -1.18 0.00 0.00 59.36 58.09 2xai h GLU 42 Cb 0.06 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2xai h GLU 42 CO -0.03 0.69 -0.86 0.00 -1.18 0.00 0.00 179.01 177.63 2xai h ALA 43 N 1.29 0.29 -0.38 2.92 0.00 -1.25 -2.95 119.26 119.20 2xai h ALA 43 Ca 0.29 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2xai h ALA 43 Cb -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2xai h ALA 43 CO -0.06 0.70 0.15 0.00 0.00 0.00 0.00 179.25 180.05 2xai h ALA 44 N 0.57 1.57 -0.46 0.00 0.00 -1.08 -1.59 119.26 118.27 2xai h ALA 44 Ca -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2xai h ALA 44 Cb 1.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2xai h ALA 44 CO 0.17 0.34 0.14 0.82 0.00 0.00 0.00 179.25 180.72 2xai h ILE 45 N 0.53 1.22 -0.22 0.00 2.04 -0.90 -3.15 117.51 117.03 2xai h ILE 45 Ca 0.13 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2xai h ILE 45 Cb 0.10 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2xai h ILE 45 CO -0.01 0.27 0.00 1.41 0.00 0.00 0.00 178.15 179.81 2xai n HIS 46 N -4.54 0.27 -1.38 1.37 8.25 -1.13 -4.77 115.22 113.28 2xai n HIS 46 Ca 0.01 -0.14 -0.03 0.00 -0.26 0.00 0.00 57.72 57.30 2xai n HIS 46 Cb 0.19 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 2xai n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 47 N 1.33 0.49 3.56 -1.41 0.00 -0.95 -4.95 105.19 103.26 2xai n GLY 47 Ca 0.17 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2xai n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 48 N -2.12 2.86 0.46 1.61 3.76 -0.64 -4.79 115.29 116.43 2xai s HIS 48 Ca 0.00 -1.58 0.19 0.00 -0.15 0.00 0.00 55.06 53.52 2xai s HIS 48 Cb 0.00 -4.67 1.20 0.00 1.11 0.00 0.00 32.58 30.22 2xai s HIS 48 CO 0.00 -1.76 2.05 -0.56 -0.85 0.00 0.00 174.74 173.62 2xai h GLN 49 N 7.89 0.00 0.12 1.40 -0.00 -1.92 -1.08 115.11 121.51 2xai h GLN 49 Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.03 2xai h GLN 49 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 2xai h GLN 49 CO 1.41 0.14 -0.06 -0.07 -0.00 0.00 0.00 178.83 180.25 2xai h LEU 50 N 0.00 -0.14 -1.00 0.06 3.38 -1.98 -0.54 115.31 115.09 2xai h LEU 50 Ca -0.00 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.73 2xai h LEU 50 Cb 0.27 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 2xai h LEU 50 CO 0.02 0.37 0.62 0.28 0.09 0.00 0.00 178.44 179.82 2xai h SER 51 N -0.71 0.85 0.08 -0.43 0.02 -1.93 -1.11 113.55 110.33 2xai h SER 51 Ca -0.02 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2xai h SER 51 Cb 0.53 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2xai h SER 51 CO 0.03 0.38 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.99 2xai h LEU 52 N 0.88 -0.09 -0.97 5.07 3.38 -1.10 -0.61 115.31 121.86 2xai h LEU 52 Ca 0.54 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.38 2xai h LEU 52 Cb 0.70 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2xai h LEU 52 CO -0.33 0.17 0.61 0.03 0.09 0.00 0.00 178.44 179.02 2xai h ARG 53 N -0.35 1.02 0.21 1.13 3.08 -0.66 -2.02 114.38 116.79 2xai h ARG 53 Ca -0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2xai h ARG 53 Cb 0.30 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2xai h ARG 53 CO 0.02 0.68 -0.37 -0.91 -1.07 0.00 0.00 179.97 178.31 2xai h ASN 54 N 1.05 -1.05 -0.88 7.04 2.35 -0.98 -1.97 115.58 121.14 2xai h ASN 54 Ca 0.45 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.32 2xai h ASN 54 Cb 0.31 0.38 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 2xai h ASN 54 CO -0.22 -0.47 0.58 -0.07 -1.65 0.00 0.00 177.43 175.60 2xai h LEU 55 N -0.66 1.01 -1.17 1.61 3.38 -0.64 -1.57 115.31 117.27 2xai h LEU 55 Ca 0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2xai h LEU 55 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2xai h LEU 55 CO -0.16 0.73 0.03 0.40 0.09 0.00 0.00 178.44 179.53 2xai h ILE 56 N 1.19 1.21 0.00 1.22 2.04 -1.31 -1.76 117.51 120.09 2xai h ILE 56 Ca 0.33 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2xai h ILE 56 Cb -0.13 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2xai h ILE 56 CO -0.07 0.28 -0.31 0.77 0.00 0.00 0.00 178.15 178.82 2xai h SER 57 N 0.59 0.00 0.97 1.72 4.64 -0.52 -2.78 113.55 118.17 2xai h SER 57 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2xai h SER 57 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2xai h SER 57 CO 0.01 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 2xai n GLN 58 N -3.21 0.02 0.00 4.77 6.02 -0.68 -4.91 117.38 119.39 2xai n GLN 58 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2xai n GLN 58 Cb 0.63 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.37 2xai n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xai n GLY 59 N 1.32 0.91 3.77 1.08 0.00 -0.97 -5.09 105.19 106.22 2xai n GLY 59 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2xai n GLY 59 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2xai n TRP 60 N -1.15 3.01 -2.61 1.61 7.02 -0.71 -4.97 117.44 119.64 2xai n TRP 60 Ca 0.00 0.42 -0.36 0.00 -1.02 0.00 0.00 57.50 56.54 2xai n TRP 60 Cb 0.00 -2.55 -0.05 0.00 -2.42 0.00 0.00 31.31 26.30 2xai n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2xai s ALA 61 N -0.98 3.07 -0.11 6.99 0.00 -1.26 -4.53 121.76 124.93 2xai s ALA 61 Ca 0.54 0.63 0.16 0.00 0.00 0.00 0.00 51.96 53.30 2xai s ALA 61 Cb -0.47 -3.24 -0.22 0.00 0.00 0.00 0.00 23.12 19.18 2xai s ALA 61 CO 0.62 -0.13 0.51 0.28 0.00 0.00 0.00 175.76 177.04 2xai n VAL 62 N -0.16 1.30 -3.24 0.00 0.31 -1.26 -4.42 118.33 110.86 2xai n VAL 62 Ca 0.05 -0.76 -0.45 0.00 -0.01 0.00 0.00 64.34 63.17 2xai n VAL 62 Cb 0.50 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 2xai n VAL 62 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2xai n ASN 63 N -2.85 5.69 -4.29 4.52 3.02 -1.26 -4.55 115.26 115.53 2xai n ASN 63 Ca -0.19 -3.11 -0.29 0.00 -0.03 0.00 0.00 54.58 50.96 2xai n ASN 63 Cb 0.99 -1.37 -0.15 0.00 -0.61 0.00 0.00 39.78 38.64 2xai n ASN 63 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2xai s ILE 64 N -1.42 1.91 0.03 2.41 2.07 -1.26 -5.11 121.20 119.83 2xai s ILE 64 Ca 0.32 -1.19 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 2xai s ILE 64 Cb -0.06 -1.62 -0.02 0.00 0.13 0.00 0.00 42.46 40.88 2xai s ILE 64 CO -0.04 0.39 -0.07 0.27 -1.91 0.00 0.00 174.94 173.58 2xai s ILE 65 N -0.70 0.46 1.03 2.00 -4.36 -1.26 -4.12 121.20 114.25 2xai s ILE 65 Ca 0.10 -0.89 -0.16 0.00 -0.26 0.00 0.00 60.65 59.44 2xai s ILE 65 Cb -0.09 -0.51 0.21 0.00 1.25 0.00 0.00 42.46 43.31 2xai s ILE 65 CO 0.01 -0.30 1.17 0.42 0.24 0.00 0.00 174.94 176.47 2xai s THR 66 N -1.15 1.86 0.59 8.37 -4.23 -0.70 -4.82 115.64 115.56 2xai s THR 66 Ca -0.08 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.71 2xai s THR 66 Cb -0.08 -2.69 0.36 0.00 1.34 0.00 0.00 72.50 71.42 2xai s THR 66 CO 0.00 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.24 2xai h ALA 67 N -1.95 1.71 -0.15 3.99 0.00 -2.01 0.79 119.26 121.64 2xai h ALA 67 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2xai h ALA 67 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2xai h ALA 67 CO 0.47 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 2xai n ASP 68 N -3.85 1.49 -1.82 0.00 8.00 -1.26 -4.92 116.55 114.20 2xai n ASP 68 Ca -0.00 -1.69 -0.15 0.00 0.71 0.00 0.00 54.79 53.65 2xai n ASP 68 Cb 0.23 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2xai n ASP 68 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2xai n HIS 69 N 0.21 -0.85 -3.00 1.24 8.25 0.27 -0.78 115.22 120.57 2xai n HIS 69 Ca 0.16 0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 2xai n HIS 69 Cb 0.30 -3.22 -0.05 0.00 1.12 0.00 0.00 29.99 28.14 2xai n HIS 69 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2xai s VAL 70 N -2.80 4.87 0.35 1.59 1.01 -1.26 -4.22 120.40 119.95 2xai s VAL 70 Ca 0.04 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.67 2xai s VAL 70 Cb -0.02 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2xai s VAL 70 CO 0.05 0.31 0.25 -0.94 0.00 0.00 0.00 175.10 174.77 2xai s SER 71 N 0.34 4.99 0.25 3.32 1.04 -1.26 -1.72 113.70 120.66 2xai s SER 71 Ca 0.39 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 2xai s SER 71 Cb -0.19 -0.80 0.45 0.00 0.10 0.00 0.00 66.02 65.58 2xai s SER 71 CO 0.21 -0.39 1.76 -0.65 0.98 0.00 0.00 173.24 175.15 2xai h PRO 72 N 1.33 0.56 -0.83 4.02 0.11 -1.80 -1.56 132.00 133.82 2xai h PRO 72 Ca -0.44 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.73 2xai h PRO 72 Cb 1.25 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2xai h PRO 72 CO 0.61 0.37 0.49 1.25 -0.21 0.00 0.00 178.00 180.50 2xai h LEU 73 N 0.57 0.71 -0.31 2.35 5.85 -1.93 0.23 115.31 122.78 2xai h LEU 73 Ca 0.41 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.22 2xai h LEU 73 Cb 0.55 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2xai h LEU 73 CO -0.34 0.41 0.06 0.45 -0.34 0.00 0.00 178.44 178.68 2xai h HIS 74 N 0.82 0.10 -0.60 1.25 3.86 -1.68 -1.72 115.15 117.19 2xai h HIS 74 Ca 0.40 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.55 2xai h HIS 74 Cb 0.34 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 2xai h HIS 74 CO -0.05 0.02 0.09 0.93 0.86 0.00 0.00 177.93 179.77 2xai h GLU 75 N 0.17 0.98 -0.34 2.45 4.39 -0.74 -1.79 114.58 119.70 2xai h GLU 75 Ca 0.15 -0.25 -0.17 0.00 0.34 0.00 0.00 59.36 59.42 2xai h GLU 75 Cb 0.16 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2xai h GLU 75 CO -0.19 0.91 -0.47 0.00 -1.16 0.00 0.00 179.01 178.10 2xai h ALA 76 N 1.17 0.53 -0.50 3.43 0.00 -0.76 -2.61 119.26 120.51 2xai h ALA 76 Ca 0.18 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2xai h ALA 76 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2xai h ALA 76 CO 0.01 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 2xai h LEU 78 N 0.87 0.93 -0.14 0.00 5.85 -1.18 -1.36 115.31 120.28 2xai h LEU 78 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2xai h LEU 78 Cb 0.74 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2xai h LEU 78 CO 0.06 0.51 -0.30 0.61 -0.34 0.00 0.00 178.44 178.98 2xai n GLY 79 N -1.35 -1.11 2.10 3.75 0.00 -1.00 -4.22 105.19 103.36 2xai n GLY 79 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2xai n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xai n GLY 80 N 1.43 0.51 3.52 -0.02 0.00 -0.51 -4.95 105.19 105.17 2xai n GLY 80 Ca 0.09 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2xai n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 81 N -2.16 3.05 0.33 1.61 3.76 -0.76 -4.84 115.29 116.29 2xai s HIS 81 Ca 0.00 -1.70 0.07 0.00 -0.15 0.00 0.00 55.06 53.28 2xai s HIS 81 Cb 0.00 -4.55 0.77 0.00 1.11 0.00 0.00 32.58 29.91 2xai s HIS 81 CO 0.00 -1.64 1.84 1.25 -0.85 0.00 0.00 174.74 175.34 2xai h LEU 82 N 11.36 0.72 -0.52 0.89 5.85 -1.92 -0.90 115.31 130.78 2xai h LEU 82 Ca 0.35 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.13 2xai h LEU 82 Cb 0.90 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2xai h LEU 82 CO 1.35 0.34 0.34 0.28 -0.34 0.00 0.00 178.44 180.41 2xai h SER 83 N 0.75 0.58 0.64 1.25 0.02 -1.95 -1.64 113.55 113.21 2xai h SER 83 Ca 0.49 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.25 2xai h SER 83 Cb 0.74 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2xai h SER 83 CO -0.25 0.41 -0.81 0.00 -1.14 0.00 0.00 176.83 175.05 2xai h VAL 85 N 0.07 0.92 -0.47 0.00 2.07 -1.18 0.37 116.25 118.02 2xai h VAL 85 Ca -0.03 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2xai h VAL 85 Cb 1.41 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 2xai h VAL 85 CO 0.12 0.03 -0.11 0.11 0.02 0.00 0.00 177.57 177.73 2xai h LYS 86 N -0.20 0.01 -0.25 1.57 1.57 -1.13 -0.50 116.57 117.63 2xai h LYS 86 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2xai h LYS 86 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2xai h LYS 86 CO 0.03 0.00 0.11 0.82 -0.57 0.00 0.00 179.45 179.84 2xai h ILE 87 N 0.01 1.16 -0.69 1.86 2.04 -0.96 -1.22 117.51 119.71 2xai h ILE 87 Ca 0.23 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2xai h ILE 87 Cb 0.35 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2xai h ILE 87 CO -0.48 0.17 0.18 -0.07 0.00 0.00 0.00 178.15 177.95 2xai h LEU 88 N 0.26 1.03 -0.55 1.44 3.38 -0.57 -2.48 115.31 117.82 2xai h LEU 88 Ca 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2xai h LEU 88 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2xai h LEU 88 CO -0.01 0.99 0.06 -0.07 0.09 0.00 0.00 178.44 179.50 2xai h LEU 89 N 1.03 0.90 -1.72 1.67 3.38 -0.96 0.12 115.31 119.72 2xai h LEU 89 Ca 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2xai h LEU 89 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2xai h LEU 89 CO -0.00 0.95 -0.17 0.50 0.09 0.00 0.00 178.44 179.81 2xai h LYS 90 N 0.82 0.00 -0.63 1.13 3.64 -0.97 0.01 116.57 120.57 2xai h LYS 90 Ca 0.16 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2xai h LYS 90 Cb 0.45 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 2xai h LYS 90 CO 0.02 0.17 0.11 0.72 -2.27 0.00 0.00 179.45 178.20 2xai n HIS 91 N -4.08 2.20 -2.28 1.91 8.25 -0.95 -4.95 115.22 115.32 2xai n HIS 91 Ca -0.02 -0.93 -0.00 0.00 -0.26 0.00 0.00 57.72 56.50 2xai n HIS 91 Cb 0.25 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2xai n HIS 91 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 92 N 0.26 0.67 3.76 -1.41 0.00 -0.01 -4.86 105.19 103.60 2xai n GLY 92 Ca 0.33 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 2xai n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai s ALA 93 N -2.55 3.06 -0.14 4.61 0.00 0.37 -4.83 121.76 122.28 2xai s ALA 93 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 2xai s ALA 93 Cb -0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2xai s ALA 93 CO 0.01 -0.95 0.91 -0.65 0.00 0.00 0.00 175.76 175.08 2xai s GLN 94 N -2.56 4.35 0.01 0.00 -0.21 -1.26 -4.79 119.66 115.19 2xai s GLN 94 Ca 0.63 1.18 0.27 0.00 0.02 0.00 0.00 55.36 57.46 2xai s GLN 94 Cb -0.36 -3.56 0.85 0.00 1.00 0.00 0.00 33.01 30.93 2xai s GLN 94 CO 0.45 -0.33 1.66 1.33 -2.12 0.00 0.00 175.29 176.28 2xai n VAL 95 N 4.66 0.02 -0.85 1.09 0.24 -1.26 -3.95 118.33 118.28 2xai n VAL 95 Ca 0.06 -0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.42 2xai n VAL 95 Cb 0.49 -0.12 0.10 0.00 -1.47 0.00 0.00 33.84 32.84 2xai n VAL 95 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2xai n ASN 96 N -1.53 2.17 -4.70 -1.34 3.02 -1.26 -4.28 115.26 107.34 2xai n ASN 96 Ca 0.06 -2.78 -0.37 0.00 -0.03 0.00 0.00 54.58 51.46 2xai n ASN 96 Cb 0.34 -0.32 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 2xai n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xai n GLY 97 N -1.16 0.31 3.07 7.41 0.00 -1.25 -4.94 105.19 108.62 2xai n GLY 97 Ca 0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2xai n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xai s VAL 98 N -1.50 1.69 0.92 1.61 1.01 -1.26 -4.25 120.40 118.62 2xai s VAL 98 Ca 0.81 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2xai s VAL 98 Cb -0.38 -1.54 0.14 0.00 0.00 0.00 0.00 36.38 34.60 2xai s VAL 98 CO 0.43 0.48 1.16 0.42 0.00 0.00 0.00 175.10 177.59 2xai s THR 99 N 1.17 1.97 0.41 3.92 -4.23 -0.22 -4.85 115.64 113.81 2xai s THR 99 Ca -0.01 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.81 2xai s THR 99 Cb -0.14 -2.80 0.33 0.00 1.34 0.00 0.00 72.50 71.23 2xai s THR 99 CO -0.06 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.12 2xai h ALA 100 N -1.51 1.20 -0.59 3.99 0.00 -1.25 0.90 119.26 121.99 2xai h ALA 100 Ca -0.49 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2xai h ALA 100 Cb 1.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2xai h ALA 100 CO 0.58 0.10 0.14 -0.25 0.00 0.00 0.00 179.25 179.83 2xai n ASP 101 N -3.48 4.78 -1.04 0.00 8.00 -1.26 -4.91 116.55 118.65 2xai n ASP 101 Ca -0.02 -2.95 -0.14 0.00 0.71 0.00 0.00 54.79 52.40 2xai n ASP 101 Cb 0.22 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 2xai n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2xai n TRP 102 N 0.19 0.00 -3.37 1.24 7.02 0.31 -4.87 117.44 117.95 2xai n TRP 102 Ca 0.31 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.42 2xai n TRP 102 Cb 1.19 -2.47 -0.06 0.00 -2.42 0.00 0.00 31.31 27.55 2xai n TRP 102 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2xai s HIS 103 N -2.47 3.70 0.30 -5.99 3.76 -1.26 -4.65 115.29 108.68 2xai s HIS 103 Ca 0.00 1.11 0.10 0.00 -0.15 0.00 0.00 55.06 56.12 2xai s HIS 103 Cb 0.00 -2.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 2xai s HIS 103 CO 0.00 0.53 -0.06 0.95 -0.85 0.00 0.00 174.74 175.31 2xai s THR 104 N -1.27 2.86 0.25 1.30 -4.23 -1.26 -1.05 115.64 112.24 2xai s THR 104 Ca 0.32 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 2xai s THR 104 Cb -0.17 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.25 2xai s THR 104 CO 0.18 -0.32 1.69 -0.65 -0.54 0.00 0.00 174.62 174.98 2xai h PRO 105 N 1.98 0.30 -0.85 3.99 0.11 -1.74 -0.93 132.00 134.85 2xai h PRO 105 Ca -0.42 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2xai h PRO 105 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2xai h PRO 105 CO 0.63 0.20 0.44 1.25 -0.21 0.00 0.00 178.00 180.30 2xai h LEU 106 N 0.31 1.09 -0.04 2.35 5.85 -1.94 -1.27 115.31 121.67 2xai h LEU 106 Ca 0.44 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2xai h LEU 106 Cb 0.74 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2xai h LEU 106 CO -0.50 0.90 0.02 0.15 -0.34 0.00 0.00 178.44 178.67 2xai h PHE 107 N 1.20 0.05 -0.51 1.25 3.57 -1.59 -1.78 116.94 119.13 2xai h PHE 107 Ca 0.30 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 2xai h PHE 107 Cb 0.08 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2xai h PHE 107 CO 0.01 0.14 0.28 -0.91 -2.23 0.00 0.00 178.31 175.60 2xai h ASN 108 N -0.05 0.42 -0.50 0.41 2.35 -0.90 0.36 115.58 117.67 2xai h ASN 108 Ca 0.01 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2xai h ASN 108 Cb 0.10 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2xai h ASN 108 CO -0.00 0.29 0.34 0.00 -1.65 0.00 0.00 177.43 176.41 2xai h ALA 109 N 1.26 2.21 0.00 -0.83 0.00 -1.08 -0.13 119.26 120.69 2xai h ALA 109 Ca 0.22 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2xai h ALA 109 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2xai h ALA 109 CO -0.13 -0.34 -0.70 0.00 0.00 0.00 0.00 179.25 178.07 2xai h VAL 111 N 0.00 1.27 -0.06 0.00 2.07 -0.02 -3.26 116.25 116.26 2xai h VAL 111 Ca -0.01 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 2xai h VAL 111 Cb 1.28 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2xai h VAL 111 CO 0.09 0.50 -0.68 0.77 0.02 0.00 0.00 177.57 178.28 2xai h SER 112 N 0.80 0.30 0.00 0.57 4.64 -1.15 -3.47 113.55 115.23 2xai h SER 112 Ca 0.08 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2xai h SER 112 Cb 0.90 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2xai h SER 112 CO 0.08 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2xai n GLY 113 N 0.43 0.63 3.57 -0.77 0.00 -0.94 -4.91 105.19 103.20 2xai n GLY 113 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2xai n GLY 113 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xai s SER 114 N -2.83 5.89 0.26 1.61 0.15 -1.22 -4.84 113.70 112.73 2xai s SER 114 Ca 0.00 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 2xai s SER 114 Cb 0.00 -2.54 0.34 0.00 -1.71 0.00 0.00 66.02 62.10 2xai s SER 114 CO 0.00 -1.91 1.90 -0.25 1.20 0.00 0.00 173.24 174.18 2xai h TRP 115 N 12.01 1.22 -0.86 3.44 7.01 -1.95 -1.94 115.95 134.87 2xai h TRP 115 Ca -0.27 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.78 2xai h TRP 115 Cb 1.11 -0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 2xai h TRP 115 CO 1.05 0.70 0.56 -0.44 -2.79 0.00 0.00 178.44 177.52 2xai h ASP 116 N 1.26 0.95 -0.12 2.65 3.32 -1.99 -1.16 116.42 121.33 2xai h ASP 116 Ca 0.40 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 2xai h ASP 116 Cb 0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2xai h ASP 116 CO -0.13 0.67 -0.02 0.00 -1.72 0.00 0.00 179.24 178.04 2xai h VAL 118 N -0.08 0.16 -0.56 0.00 2.07 -1.13 -0.52 116.25 116.19 2xai h VAL 118 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2xai h VAL 118 Cb 0.41 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 2xai h VAL 118 CO 0.01 0.00 -0.28 0.78 0.02 0.00 0.00 177.57 178.10 2xai h ASN 119 N -0.66 -0.98 -0.60 0.57 2.35 -1.25 0.72 115.58 115.74 2xai h ASN 119 Ca 0.02 0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2xai h ASN 119 Cb 0.68 0.51 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 2xai h ASN 119 CO -0.23 -0.28 0.40 0.25 -1.65 0.00 0.00 177.43 175.91 2xai h LEU 120 N -0.14 0.68 -0.47 1.61 5.85 -0.90 0.58 115.31 122.53 2xai h LEU 120 Ca 0.24 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2xai h LEU 120 Cb 0.53 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2xai h LEU 120 CO -0.64 0.49 0.14 -0.07 -0.34 0.00 0.00 178.44 178.02 2xai h LEU 121 N 0.81 0.69 -0.74 2.25 3.38 -0.75 -1.88 115.31 119.07 2xai h LEU 121 Ca 0.22 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2xai h LEU 121 Cb -0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 2xai h LEU 121 CO -0.05 0.72 0.48 -0.07 0.09 0.00 0.00 178.44 179.60 2xai h LEU 122 N 0.62 0.79 -1.90 1.67 3.38 0.29 -0.26 115.31 119.91 2xai h LEU 122 Ca 0.15 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2xai h LEU 122 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2xai h LEU 122 CO -0.00 0.56 0.15 1.56 0.09 0.00 0.00 178.44 180.79 2xai h GLN 123 N 0.94 0.13 -0.69 1.13 4.20 0.42 -1.19 115.11 120.05 2xai h GLN 123 Ca 0.29 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2xai h GLN 123 Cb -0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2xai h GLN 123 CO -0.10 0.08 0.00 0.72 -0.67 0.00 0.00 178.83 178.87 2xai n HIS 124 N -4.49 1.37 -1.18 2.96 8.25 -0.27 -4.90 115.22 116.95 2xai n HIS 124 Ca 0.01 -0.49 -0.03 0.00 -0.26 0.00 0.00 57.72 56.96 2xai n HIS 124 Cb 0.20 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 2xai n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 125 N 0.54 0.58 3.69 -1.41 0.00 -0.45 -4.94 105.19 103.21 2xai n GLY 125 Ca 0.19 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 2xai n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 126 N 0.85 1.51 -2.19 4.61 0.00 -0.28 -4.88 120.51 120.13 2xai n ALA 126 Ca -0.03 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2xai n ALA 126 Cb 0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 2xai n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 127 N 0.48 6.83 0.10 0.00 0.15 -1.26 -4.73 113.70 115.27 2xai s SER 127 Ca 0.70 2.21 -0.22 0.00 0.70 0.00 0.00 55.95 59.34 2xai s SER 127 Cb -0.62 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.00 2xai s SER 127 CO 0.46 -0.71 1.74 0.58 1.20 0.00 0.00 173.24 176.52 2xai h VAL 128 N 4.70 1.03 -3.46 4.45 2.07 -1.92 -3.39 116.25 119.73 2xai h VAL 128 Ca -0.40 -0.06 -0.71 0.00 0.82 0.00 0.00 66.70 66.35 2xai h VAL 128 Cb 1.19 0.95 -0.33 0.00 -1.52 0.00 0.00 31.29 31.58 2xai h VAL 128 CO 0.89 0.03 -0.44 -1.10 0.02 0.00 0.00 177.57 176.96 2xai s GLN 129 N -6.13 2.30 0.67 1.57 1.11 -1.26 -4.64 119.66 113.29 2xai s GLN 129 Ca -0.13 -2.00 -0.17 0.00 0.01 0.00 0.00 55.36 53.07 2xai s GLN 129 Cb 0.07 -3.73 0.01 0.00 -1.01 0.00 0.00 33.01 28.34 2xai s GLN 129 CO 0.67 -1.13 1.24 -2.14 0.01 0.00 0.00 175.29 173.94 2xai s PRO 130 N 0.87 2.45 0.35 2.91 0.02 -1.26 -4.94 135.00 135.40 2xai s PRO 130 Ca 0.10 1.89 0.10 0.00 0.02 0.00 0.00 61.00 63.11 2xai s PRO 130 Cb -0.23 -1.86 0.65 0.00 0.02 0.00 0.00 34.50 33.09 2xai s PRO 130 CO -0.03 -1.63 1.80 1.49 -0.33 0.00 0.00 177.00 178.30 2xai h GLU 131 N 0.25 0.11 -6.59 5.54 4.57 -1.93 -3.44 114.58 113.09 2xai h GLU 131 Ca -0.49 -0.04 -0.51 0.00 -1.18 0.00 0.00 59.36 57.13 2xai h GLU 131 Cb 1.31 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 2xai h GLU 131 CO 0.52 0.45 0.37 0.45 -1.18 0.00 0.00 179.01 179.62 2xai s SER 132 N -6.91 7.48 0.00 1.04 0.15 -1.26 -4.92 113.70 109.28 2xai s SER 132 Ca -0.04 1.84 0.15 0.00 0.70 0.00 0.00 55.95 58.61 2xai s SER 132 Cb 0.14 -2.59 0.73 0.00 -1.71 0.00 0.00 66.02 62.59 2xai s SER 132 CO 0.74 -0.07 1.46 0.47 1.20 0.00 0.00 173.24 177.05 2xai n ASP 133 N 2.65 0.00 0.13 5.45 9.92 -1.26 -2.88 116.55 130.56 2xai n ASP 133 Ca 0.02 0.26 0.10 0.00 -0.53 0.00 0.00 54.79 54.63 2xai n ASP 133 Cb 0.49 -0.38 0.04 0.00 -0.64 0.00 0.00 41.12 40.63 2xai n ASP 133 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2xai h LEU 134 N 0.00 0.00 -6.22 0.64 3.38 -1.95 -3.41 115.31 107.76 2xai h LEU 134 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2xai h LEU 134 Cb 0.20 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.55 2xai h LEU 134 CO 0.00 0.11 -0.96 0.00 0.09 0.00 0.00 178.44 177.68 2xai n ALA 135 N -2.19 2.87 -2.77 1.53 0.00 -1.14 -5.06 120.51 113.75 2xai n ALA 135 Ca 0.00 -3.60 -0.44 0.00 0.00 0.00 0.00 53.44 49.40 2xai n ALA 135 Cb 0.59 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 2xai n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 136 N -1.04 6.18 0.22 0.00 0.15 -1.26 -4.61 113.70 113.34 2xai s SER 136 Ca 0.34 -1.09 -0.18 0.00 0.70 0.00 0.00 55.95 55.72 2xai s SER 136 Cb 0.11 -2.22 0.21 0.00 -1.71 0.00 0.00 66.02 62.41 2xai s SER 136 CO -0.13 -0.72 1.52 -2.65 1.20 0.00 0.00 173.24 172.47 2xai n PRO 137 N 5.59 -0.25 0.20 5.44 -0.02 -1.26 -0.87 135.00 143.83 2xai n PRO 137 Ca -0.10 1.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.94 2xai n PRO 137 Cb 0.45 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.19 2xai n PRO 137 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2xai h ILE 138 N 0.00 1.12 0.01 4.25 2.10 -1.93 0.54 117.51 123.60 2xai h ILE 138 Ca 0.33 -0.52 -0.11 0.00 1.08 0.00 0.00 64.86 65.63 2xai h ILE 138 Cb 0.57 1.22 0.01 0.00 -1.09 0.00 0.00 36.82 37.53 2xai h ILE 138 CO -0.97 0.16 -0.44 0.45 -1.08 0.00 0.00 178.15 176.27 2xai h HIS 139 N 0.06 0.42 -0.61 2.19 3.86 -1.41 -1.51 115.15 118.15 2xai h HIS 139 Ca 0.01 -0.24 0.06 0.00 -1.16 0.00 0.00 60.37 59.05 2xai h HIS 139 Cb 0.26 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 2xai h HIS 139 CO 0.00 1.06 0.31 1.49 0.86 0.00 0.00 177.93 181.66 2xai h GLU 140 N -0.34 0.56 -0.67 2.45 4.57 -0.79 0.22 114.58 120.57 2xai h GLU 140 Ca -0.06 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2xai h GLU 140 Cb 1.19 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2xai h GLU 140 CO 0.09 0.37 0.16 0.00 -1.18 0.00 0.00 179.01 178.45 2xai h ALA 141 N 1.34 1.02 -0.23 2.92 0.00 -0.92 -2.73 119.26 120.65 2xai h ALA 141 Ca 0.28 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2xai h ALA 141 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2xai h ALA 141 CO -0.20 0.64 -0.65 0.00 0.00 0.00 0.00 179.25 179.05 2xai h ALA 142 N 1.16 0.40 0.00 0.00 0.00 -0.54 -0.17 119.26 120.10 2xai h ALA 142 Ca 0.21 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2xai h ALA 142 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2xai h ALA 142 CO 0.00 0.68 -0.30 0.07 0.00 0.00 0.00 179.25 179.71 2xai h ARG 143 N 0.62 0.00 -0.01 0.00 0.11 -0.52 -2.39 114.38 112.19 2xai h ARG 143 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2xai h ARG 143 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2xai h ARG 143 CO 0.14 0.30 -0.39 0.54 0.10 0.00 0.00 179.97 180.66 2xai n ARG 144 N -3.62 0.84 -2.70 0.08 1.74 -1.04 -4.81 116.66 107.14 2xai n ARG 144 Ca -0.01 -0.58 -0.11 0.00 -0.77 0.00 0.00 57.85 56.39 2xai n ARG 144 Cb 0.42 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2xai n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xai n GLY 145 N 1.39 0.16 3.47 -0.13 0.00 -0.71 -4.95 105.19 104.41 2xai n GLY 145 Ca 0.10 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 2xai n GLY 145 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 146 N -2.90 3.45 0.14 1.61 3.76 -0.16 -4.83 115.29 116.36 2xai s HIS 146 Ca 0.17 -2.07 -0.18 0.00 -0.15 0.00 0.00 55.06 52.84 2xai s HIS 146 Cb -0.08 -4.33 0.01 0.00 1.11 0.00 0.00 32.58 29.30 2xai s HIS 146 CO 0.21 -1.42 1.75 0.28 -0.85 0.00 0.00 174.74 174.71 2xai h VAL 147 N 4.78 0.91 -0.88 -0.90 2.07 -1.92 -1.41 116.25 118.89 2xai h VAL 147 Ca 0.31 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.79 2xai h VAL 147 Cb 0.88 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2xai h VAL 147 CO 1.24 0.04 0.57 1.05 0.02 0.00 0.00 177.57 180.49 2xai h GLU 148 N 0.21 1.06 -0.29 1.57 9.09 -1.98 0.33 114.58 124.59 2xai h GLU 148 Ca 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.45 2xai h GLU 148 Cb 0.11 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 26.95 2xai h GLU 148 CO -0.14 0.70 0.09 0.00 0.05 0.00 0.00 179.01 179.71 2xai h VAL 150 N 0.30 0.19 -0.93 0.00 2.07 -0.81 -1.74 116.25 115.33 2xai h VAL 150 Ca 0.09 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.88 2xai h VAL 150 Cb 0.25 0.19 -0.16 0.00 -1.52 0.00 0.00 31.29 30.05 2xai h VAL 150 CO -0.00 0.00 0.18 -1.13 0.02 0.00 0.00 177.57 176.64 2xai h ASN 151 N -0.89 -0.16 -0.17 0.57 -1.24 -0.10 -1.04 115.58 112.54 2xai h ASN 151 Ca -0.05 0.24 -0.16 0.00 0.71 0.00 0.00 56.30 57.04 2xai h ASN 151 Cb 0.76 0.36 0.00 0.00 0.73 0.00 0.00 38.32 40.17 2xai h ASN 151 CO 0.00 -0.27 -0.51 0.28 -1.29 0.00 0.00 177.43 175.64 2xai h SER 152 N 0.10 0.75 -0.57 1.15 0.02 -0.95 -1.25 113.55 112.80 2xai h SER 152 Ca 0.61 -0.59 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2xai h SER 152 Cb 1.30 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2xai h SER 152 CO -0.78 1.21 0.24 -0.07 -1.14 0.00 0.00 176.83 176.29 2xai h LEU 153 N 0.33 0.28 0.25 5.07 3.38 -0.32 -1.55 115.31 122.76 2xai h LEU 153 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2xai h LEU 153 Cb 1.13 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2xai h LEU 153 CO 0.11 0.18 -0.12 0.40 0.09 0.00 0.00 178.44 179.10 2xai h ILE 154 N 0.45 0.76 -0.95 1.22 2.04 -1.22 -0.23 117.51 119.58 2xai h ILE 154 Ca 0.27 -0.08 0.23 0.00 1.00 0.00 0.00 64.86 66.28 2xai h ILE 154 Cb 0.28 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2xai h ILE 154 CO -0.25 0.02 0.63 0.00 0.00 0.00 0.00 178.15 178.56 2xai h ALA 155 N 0.36 2.36 -0.33 1.87 0.00 -0.86 0.14 119.26 122.79 2xai h ALA 155 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2xai h ALA 155 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2xai h ALA 155 CO 0.06 -0.67 0.00 0.66 0.00 0.00 0.00 179.25 179.30 2xai n TYR 156 N -4.48 0.44 0.00 0.00 4.02 -0.62 -4.88 117.16 111.65 2xai n TYR 156 Ca 0.21 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2xai n TYR 156 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 2xai n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2xai n GLY 157 N 1.08 1.05 3.75 2.72 0.00 0.47 -4.95 105.19 109.31 2xai n GLY 157 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2xai n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xai s GLY 158 N -2.00 2.48 -0.45 -0.02 0.00 -0.11 -4.95 107.32 102.27 2xai s GLY 158 Ca 0.00 0.86 -0.25 0.00 0.00 0.00 0.00 44.72 45.32 2xai s GLY 158 CO 0.00 1.24 0.92 0.21 0.00 0.00 0.00 173.10 175.48 2xai s ASN 159 N -1.96 6.53 0.53 1.64 2.47 -1.26 -4.64 114.94 118.24 2xai s ASN 159 Ca 0.74 0.19 0.30 0.00 0.42 0.00 0.00 52.86 54.52 2xai s ASN 159 Cb -0.27 -2.45 1.39 0.00 -1.45 0.00 0.00 41.25 38.47 2xai s ASN 159 CO 0.39 -1.02 2.01 -0.29 -3.72 0.00 0.00 177.10 174.47 2xai h ILE 160 N 6.04 0.33 -0.13 -5.21 2.10 -1.95 -2.66 117.51 116.02 2xai h ILE 160 Ca -0.24 -0.63 0.00 0.00 1.08 0.00 0.00 64.86 65.07 2xai h ILE 160 Cb 1.08 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 2xai h ILE 160 CO 1.02 0.10 0.00 0.47 -1.08 0.00 0.00 178.15 178.66 2xai n ASP 161 N -3.35 2.79 -4.28 2.19 8.00 -1.26 -4.41 116.55 116.23 2xai n ASP 161 Ca -0.01 -1.84 -0.61 0.00 0.71 0.00 0.00 54.79 53.05 2xai n ASP 161 Cb 0.29 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 2xai n ASP 161 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2xai n HIS 162 N 1.11 1.53 -3.83 1.24 -0.00 -1.01 -4.79 115.22 109.47 2xai n HIS 162 Ca 0.13 1.03 -0.36 0.00 0.46 0.00 0.00 57.72 58.98 2xai n HIS 162 Cb 0.49 -2.01 -0.13 0.00 -0.12 0.00 0.00 29.99 28.23 2xai n HIS 162 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2xai s LYS 163 N 2.54 2.58 -0.11 1.57 2.20 -1.26 -4.06 119.74 123.20 2xai s LYS 163 Ca 0.94 -1.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 2xai s LYS 163 Cb -1.34 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 31.63 2xai s LYS 163 CO 0.73 -0.62 0.13 0.42 -0.36 0.00 0.00 175.35 175.65 2xai s ILE 164 N 1.34 5.37 0.14 5.43 1.01 -0.95 -4.92 121.20 128.62 2xai s ILE 164 Ca -0.03 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 2xai s ILE 164 Cb -0.19 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2xai s ILE 164 CO 0.01 0.59 1.58 0.28 0.00 0.00 0.00 174.94 177.40 2xai h SER 165 N 4.90 -1.29 0.09 3.58 0.02 -1.96 0.12 113.55 119.01 2xai h SER 165 Ca -0.54 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2xai h SER 165 Cb 1.22 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.31 2xai h SER 165 CO 0.58 -0.40 -0.07 0.00 -1.14 0.00 0.00 176.83 175.81 2xai n HIS 166 N -5.43 0.00 -0.01 3.45 1.44 -1.26 -4.49 115.22 108.93 2xai n HIS 166 Ca -0.03 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.64 2xai n HIS 166 Cb 0.35 -0.05 -0.01 0.00 0.12 0.00 0.00 29.99 30.40 2xai n HIS 166 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2xai n LEU 167 N -0.27 1.31 0.00 2.39 4.77 -0.77 -5.14 117.00 119.30 2xai n LEU 167 Ca 0.17 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2xai n LEU 167 Cb 0.32 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2xai n LEU 167 CO 0.20 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 2xai n GLY 168 N 2.70 -0.26 3.90 -0.72 0.00 0.34 -4.73 105.19 106.41 2xai n GLY 168 Ca -0.07 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 2xai n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xai s THR 169 N 0.00 3.60 0.20 2.61 -4.23 -0.52 -2.23 115.64 115.07 2xai s THR 169 Ca 0.00 0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 2xai s THR 169 Cb 0.00 -3.47 0.13 0.00 1.34 0.00 0.00 72.50 70.50 2xai s THR 169 CO 0.00 -0.55 1.75 -0.65 -0.54 0.00 0.00 174.62 174.63 2xai h PRO 170 N -0.38 0.41 -0.99 3.99 0.11 -1.77 0.48 132.00 133.84 2xai h PRO 170 Ca -0.45 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.85 2xai h PRO 170 Cb 1.25 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 2xai h PRO 170 CO 0.62 0.27 0.62 1.25 -0.21 0.00 0.00 178.00 180.56 2xai h LEU 171 N 0.42 0.60 -0.49 2.35 5.85 -1.89 -1.79 115.31 120.36 2xai h LEU 171 Ca 0.29 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 2xai h LEU 171 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2xai h LEU 171 CO -0.28 0.19 -0.11 0.22 -0.34 0.00 0.00 178.44 178.12 2xai h TYR 172 N 0.57 1.05 -0.05 1.25 3.20 -1.17 -2.38 116.97 119.44 2xai h TYR 172 Ca 0.56 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2xai h TYR 172 Cb 1.15 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2xai h TYR 172 CO -0.00 1.01 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.42 2xai h LEU 173 N 0.80 0.12 -1.36 2.82 3.38 -0.79 -1.19 115.31 119.08 2xai h LEU 173 Ca 0.13 -0.43 0.27 0.00 0.09 0.00 0.00 57.88 57.94 2xai h LEU 173 Cb 0.66 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 2xai h LEU 173 CO 0.05 0.53 0.68 0.00 0.09 0.00 0.00 178.44 179.78 2xai h ALA 174 N 0.60 2.25 0.29 1.53 0.00 -1.33 0.12 119.26 122.73 2xai h ALA 174 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2xai h ALA 174 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2xai h ALA 174 CO 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 179.25 178.45 2xai h GLU 176 N -1.00 0.16 -0.55 0.00 5.08 -0.37 0.12 114.58 118.01 2xai h GLU 176 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2xai h GLU 176 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2xai h GLU 176 CO 0.07 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 2xai n ASN 177 N -5.26 3.03 -3.01 1.42 3.02 0.35 -4.92 115.26 109.90 2xai n ASN 177 Ca 0.24 -2.16 -0.19 0.00 -0.03 0.00 0.00 54.58 52.45 2xai n ASN 177 Cb 0.79 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2xai n ASN 177 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xai n GLN 178 N 0.80 -3.07 -2.62 3.52 6.02 0.41 -4.85 117.38 117.59 2xai n GLN 178 Ca 0.17 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 2xai n GLN 178 Cb 0.54 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 26.59 2xai n GLN 178 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2xai s GLN 179 N -5.63 3.66 0.30 -1.09 -1.52 0.53 -4.85 119.66 111.06 2xai s GLN 179 Ca 0.25 -1.37 0.02 0.00 -1.95 0.00 0.00 55.36 52.30 2xai s GLN 179 Cb -0.13 -5.32 0.47 0.00 -0.22 0.00 0.00 33.01 27.81 2xai s GLN 179 CO 0.30 -2.15 1.80 -0.09 -0.25 0.00 0.00 175.29 174.90 2xai h ARG 180 N 9.27 0.59 0.00 2.91 2.43 -1.89 -2.44 114.38 125.26 2xai h ARG 180 Ca 0.24 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2xai h ARG 180 Cb 0.99 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2xai h ARG 180 CO 1.39 0.67 -0.51 0.00 -1.51 0.00 0.00 179.97 180.01 2xai h ALA 181 N 1.38 0.70 0.12 2.80 0.00 -1.95 -2.26 119.26 120.05 2xai h ALA 181 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2xai h ALA 181 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2xai h ALA 181 CO 0.02 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 2xai h VAL 183 N -0.46 0.13 -0.52 0.00 2.07 -1.42 0.20 116.25 116.26 2xai h VAL 183 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2xai h VAL 183 Cb 0.38 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2xai h VAL 183 CO 0.03 0.00 0.35 0.50 0.02 0.00 0.00 177.57 178.46 2xai h LYS 184 N -0.46 0.39 -0.10 1.57 3.64 -1.46 -1.49 116.57 118.66 2xai h LYS 184 Ca 0.09 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2xai h LYS 184 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2xai h LYS 184 CO -0.44 0.26 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.39 2xai h LYS 185 N 0.40 0.44 -0.18 1.90 1.63 -0.55 -2.38 116.57 117.83 2xai h LYS 185 Ca 0.23 -0.34 0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2xai h LYS 185 Cb 0.39 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 2xai h LYS 185 CO -0.06 0.97 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.82 2xai h LEU 186 N 0.01 -0.10 -0.02 5.20 3.38 -0.16 -0.61 115.31 123.01 2xai h LEU 186 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2xai h LEU 186 Cb 1.02 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2xai h LEU 186 CO 0.08 -0.03 0.01 -0.07 0.09 0.00 0.00 178.44 178.53 2xai h LEU 187 N 0.04 0.02 -1.40 1.67 3.38 -1.37 -0.67 115.31 116.98 2xai h LEU 187 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2xai h LEU 187 Cb 0.11 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2xai h LEU 187 CO -0.15 0.01 0.43 -0.33 0.09 0.00 0.00 178.44 178.49 2xai h GLU 188 N 0.02 0.77 0.00 1.13 5.08 -1.19 0.15 114.58 120.54 2xai h GLU 188 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2xai h GLU 188 Cb -0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2xai h GLU 188 CO -0.00 0.51 0.00 0.77 -1.00 0.00 0.00 179.01 179.29 2xai h SER 189 N 0.79 0.00 0.00 1.42 0.02 -0.84 -3.45 113.55 111.50 2xai h SER 189 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2xai h SER 189 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2xai h SER 189 CO -0.07 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 2xai n GLY 190 N -0.46 1.17 3.61 -3.77 0.00 0.53 -1.34 105.19 104.94 2xai n GLY 190 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2xai n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 191 N -1.45 -0.35 -2.60 4.61 0.00 -0.29 -4.88 120.51 115.54 2xai n ALA 191 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 2xai n ALA 191 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 2xai n ALA 191 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xai s ASP 192 N -1.72 6.29 0.61 0.00 -1.08 -1.26 -4.72 116.67 114.79 2xai s ASP 192 Ca 0.72 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.74 2xai s ASP 192 Cb -0.33 -2.53 1.37 0.00 -1.46 0.00 0.00 42.92 39.97 2xai s ASP 192 CO 0.51 -1.60 1.78 1.62 0.52 0.00 0.00 175.17 178.01 2xai h VAL 193 N 6.07 0.22 0.00 1.11 3.04 -1.89 -2.55 116.25 122.24 2xai h VAL 193 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2xai h VAL 193 Cb 1.06 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2xai h VAL 193 CO 1.21 0.00 -1.54 0.59 -1.01 0.00 0.00 177.57 176.82 2xai n ASN 194 N -3.41 0.52 -4.60 3.17 3.02 -1.26 -4.45 115.26 108.25 2xai n ASN 194 Ca 0.08 -0.40 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 2xai n ASN 194 Cb 0.74 1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 41.44 2xai n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xai s GLN 195 N -3.23 3.53 0.00 3.52 -1.52 -0.96 -4.39 119.66 116.60 2xai s GLN 195 Ca -0.01 0.92 0.00 0.00 -1.95 0.00 0.00 55.36 54.32 2xai s GLN 195 Cb 0.14 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.89 2xai s GLN 195 CO 0.86 -1.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.68 2xai n GLY 196 N 5.13 1.45 3.06 3.09 0.00 -1.25 -4.49 105.19 112.16 2xai n GLY 196 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2xai n GLY 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xai s LYS 197 N 3.09 2.20 7.73 1.61 2.20 0.32 -1.44 119.74 135.46 2xai s LYS 197 Ca 0.00 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 2xai s LYS 197 Cb 0.00 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2xai s LYS 197 CO 0.00 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2xai n GLY 198 N 4.46 3.30 0.10 5.54 0.00 -1.26 -1.27 105.19 116.05 2xai n GLY 198 Ca -0.14 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.87 2xai n GLY 198 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xai n GLN 199 N 13.60 0.40 -2.80 1.61 6.02 -1.26 -4.83 117.38 130.12 2xai n GLN 199 Ca 0.00 -0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.37 2xai n GLN 199 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2xai n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2xai s ASP 200 N -2.74 6.92 0.36 1.08 2.15 -0.40 -4.27 116.67 119.77 2xai s ASP 200 Ca 0.19 1.13 -0.03 0.00 0.43 0.00 0.00 52.55 54.27 2xai s ASP 200 Cb 0.19 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 2xai s ASP 200 CO 0.58 -0.60 0.61 -0.94 -0.17 0.00 0.00 175.17 174.65 2xai s SER 201 N 1.33 6.34 0.28 -0.34 1.04 -1.26 -0.52 113.70 120.57 2xai s SER 201 Ca 0.39 0.65 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 2xai s SER 201 Cb -0.15 -2.12 0.64 0.00 0.10 0.00 0.00 66.02 64.49 2xai s SER 201 CO 0.08 -0.33 1.65 -0.65 0.98 0.00 0.00 173.24 174.97 2xai h PRO 202 N 0.93 0.20 0.00 4.02 0.11 -1.78 0.53 132.00 136.01 2xai h PRO 202 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2xai h PRO 202 Cb 1.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2xai h PRO 202 CO 0.63 0.13 -0.02 1.25 -0.21 0.00 0.00 178.00 179.78 2xai h LEU 203 N 0.20 0.00 0.04 2.35 5.85 -1.93 -1.33 115.31 120.48 2xai h LEU 203 Ca 0.52 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 2xai h LEU 203 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2xai h LEU 203 CO -0.64 0.02 -0.02 0.45 -0.34 0.00 0.00 178.44 177.91 2xai h HIS 204 N 0.00 -0.05 -0.64 1.25 3.86 -0.32 -2.83 115.15 116.42 2xai h HIS 204 Ca -0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2xai h HIS 204 Cb 0.04 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2xai h HIS 204 CO 0.00 0.34 0.34 0.00 0.86 0.00 0.00 177.93 179.47 2xai h ALA 205 N 0.49 1.40 -0.01 2.45 0.00 -0.86 -1.48 119.26 121.23 2xai h ALA 205 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2xai h ALA 205 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2xai h ALA 205 CO 0.01 0.49 -0.31 0.28 0.00 0.00 0.00 179.25 179.72 2xai h VAL 206 N 0.89 1.23 0.00 0.00 2.07 -1.30 -2.99 116.25 116.14 2xai h VAL 206 Ca 0.23 -1.08 -0.16 0.00 0.82 0.00 0.00 66.70 66.51 2xai h VAL 206 Cb 0.04 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2xai h VAL 206 CO -0.04 0.31 -0.75 0.00 0.02 0.00 0.00 177.57 177.11 2xai h ALA 207 N 1.67 0.57 -0.17 1.67 0.00 -1.02 -1.93 119.26 120.05 2xai h ALA 207 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 2xai h ALA 207 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2xai h ALA 207 CO 0.04 0.94 0.04 0.00 0.00 0.00 0.00 179.25 180.27 2xai h ARG 208 N 0.00 0.27 -0.94 0.00 3.08 -1.36 -2.28 114.38 113.15 2xai h ARG 208 Ca -0.01 -0.07 0.23 0.00 0.07 0.00 0.00 59.98 60.21 2xai h ARG 208 Cb 1.51 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.46 2xai h ARG 208 CO 0.10 0.42 0.63 1.15 -1.07 0.00 0.00 179.97 181.20 2xai h THR 209 N 0.07 0.61 -1.41 2.04 2.02 -1.49 -3.47 112.91 111.29 2xai h THR 209 Ca 0.05 -0.11 -0.29 0.00 0.77 0.00 0.00 66.41 66.84 2xai h THR 209 Cb 0.27 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 2xai h THR 209 CO 0.00 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.63 2xai n ALA 210 N -2.56 -0.33 -2.27 6.16 0.00 -0.76 -4.95 120.51 115.81 2xai n ALA 210 Ca 0.21 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2xai n ALA 210 Cb 0.81 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2xai n ALA 210 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 211 N -2.58 5.76 0.08 0.00 0.15 -1.04 -4.82 113.70 111.25 2xai s SER 211 Ca 0.00 0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.58 2xai s SER 211 Cb 0.00 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.67 2xai s SER 211 CO 0.00 -2.04 1.58 -0.33 1.20 0.00 0.00 173.24 173.65 2xai h GLU 212 N 12.51 0.30 -0.40 5.44 5.08 -1.92 -1.31 114.58 134.28 2xai h GLU 212 Ca -0.27 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2xai h GLU 212 Cb 1.11 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 2xai h GLU 212 CO 1.22 0.42 -0.24 1.49 -1.00 0.00 0.00 179.01 180.90 2xai h GLU 213 N 0.13 -0.17 -0.19 2.33 4.57 -2.00 -2.16 114.58 117.09 2xai h GLU 213 Ca 0.06 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 2xai h GLU 213 Cb 0.25 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2xai h GLU 213 CO -0.00 -0.11 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.10 2xai h LEU 214 N -0.17 0.64 -0.91 1.64 3.38 -1.94 -3.04 115.31 114.91 2xai h LEU 214 Ca 0.19 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2xai h LEU 214 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2xai h LEU 214 CO -0.50 1.06 0.55 0.00 0.09 0.00 0.00 178.44 179.63 2xai h ALA 215 N 0.96 1.15 -0.26 1.53 0.00 -0.99 -0.71 119.26 120.94 2xai h ALA 215 Ca 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2xai h ALA 215 Cb 1.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2xai h ALA 215 CO 0.10 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.85 2xai h LEU 217 N 0.40 -0.06 -1.39 0.00 5.85 -1.31 -1.43 115.31 117.37 2xai h LEU 217 Ca 0.08 -0.55 0.19 0.00 0.84 0.00 0.00 57.88 58.44 2xai h LEU 217 Cb 0.44 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 2xai h LEU 217 CO 0.02 0.55 0.59 -0.07 -0.34 0.00 0.00 178.44 179.20 2xai h LEU 218 N -0.70 0.51 -0.03 2.25 3.38 -1.02 -1.90 115.31 117.80 2xai h LEU 218 Ca -0.01 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2xai h LEU 218 Cb 0.60 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2xai h LEU 218 CO 0.01 0.22 -0.51 0.24 0.09 0.00 0.00 178.44 178.49 2xai h MET 219 N 0.52 0.40 -1.13 1.13 2.86 -1.36 0.52 114.93 117.87 2xai h MET 219 Ca 0.48 -0.39 0.32 0.00 -2.06 0.00 0.00 59.70 58.05 2xai h MET 219 Cb 1.03 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 2xai h MET 219 CO -0.21 1.05 0.80 -0.44 1.06 0.00 0.00 176.91 179.17 2xai h ASP 220 N -0.11 0.06 -0.68 1.22 5.19 -0.49 0.46 116.42 122.08 2xai h ASP 220 Ca -0.06 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2xai h ASP 220 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2xai h ASP 220 CO 0.10 0.01 0.00 0.49 -3.12 0.00 0.00 179.24 176.72 2xai n PHE 221 N -4.26 1.39 -1.89 4.55 3.72 -0.91 -4.96 117.46 115.10 2xai n PHE 221 Ca 0.25 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2xai n PHE 221 Cb 1.16 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 2xai n PHE 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xai n GLY 222 N 1.30 0.64 3.74 1.37 0.00 0.16 -4.79 105.19 107.61 2xai n GLY 222 Ca 0.26 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2xai n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 223 N -1.28 1.57 -2.61 4.61 0.00 0.13 -4.89 120.51 118.05 2xai n ALA 223 Ca 0.00 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2xai n ALA 223 Cb 0.45 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 2xai n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xai s ASP 224 N -0.90 6.70 0.00 0.00 -1.08 -1.26 -4.81 116.67 115.33 2xai s ASP 224 Ca 0.71 0.62 0.27 0.00 -0.52 0.00 0.00 52.55 53.64 2xai s ASP 224 Cb -0.42 -2.48 1.28 0.00 -1.46 0.00 0.00 42.92 39.84 2xai s ASP 224 CO 0.49 -0.90 1.91 0.35 0.52 0.00 0.00 175.17 177.54 2xai n THR 225 N 6.05 0.12 0.39 1.71 -2.24 -1.26 -3.65 114.28 115.40 2xai n THR 225 Ca 0.08 0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 2xai n THR 225 Cb 0.48 -0.57 0.10 0.00 -2.10 0.00 0.00 70.33 68.24 2xai n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xai n GLN 226 N -1.39 1.54 -2.46 -0.78 3.00 -1.26 -4.31 117.38 111.71 2xai n GLN 226 Ca 0.10 -1.62 -0.37 0.00 -0.01 0.00 0.00 57.00 55.10 2xai n GLN 226 Cb 0.27 -1.31 -0.03 0.00 0.00 0.00 0.00 30.24 29.17 2xai n GLN 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2xai s ALA 227 N -1.18 3.09 -0.07 -1.58 0.00 -1.24 -4.93 121.76 115.85 2xai s ALA 227 Ca 0.21 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.99 2xai s ALA 227 Cb 0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2xai s ALA 227 CO 0.19 -0.32 -0.18 0.15 0.00 0.00 0.00 175.76 175.61 2xai s LYS 228 N -2.45 2.72 0.01 0.00 1.02 -1.26 -3.96 119.74 115.82 2xai s LYS 228 Ca 0.58 -0.77 -0.00 0.00 0.02 0.00 0.00 55.97 55.80 2xai s LYS 228 Cb -0.25 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2xai s LYS 228 CO 0.31 0.45 0.01 0.27 -0.92 0.00 0.00 175.35 175.46 2xai n ASN 229 N 2.81 0.00 0.12 2.83 0.23 -0.35 -4.84 115.26 116.05 2xai n ASN 229 Ca -0.17 -1.00 0.02 0.00 -0.53 0.00 0.00 54.58 52.89 2xai n ASN 229 Cb 0.52 -0.01 0.37 0.00 -2.08 0.00 0.00 39.78 38.58 2xai n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2xai h ALA 230 N -1.98 1.45 -0.10 -2.53 0.00 -1.91 -0.96 119.26 113.23 2xai h ALA 230 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2xai h ALA 230 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2xai h ALA 230 CO 0.00 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.03 2xai n GLU 231 N -4.23 1.41 0.00 0.00 4.71 -1.26 -4.87 120.64 116.40 2xai n GLU 231 Ca -0.01 -0.43 0.00 0.00 -0.01 0.00 0.00 57.16 56.71 2xai n GLU 231 Cb 0.31 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 2xai n GLU 231 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2xai n GLY 232 N 0.38 2.42 3.81 0.62 0.00 -0.37 -5.00 105.19 107.06 2xai n GLY 232 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2xai n GLY 232 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xai s LYS 233 N 0.00 4.30 0.46 1.61 0.00 -1.26 -4.58 119.74 120.27 2xai s LYS 233 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 55.97 56.94 2xai s LYS 233 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 37.83 35.13 2xai s LYS 233 CO 0.00 0.25 0.74 1.03 0.00 0.00 0.00 175.35 177.37 2xai s ARG 234 N -2.36 3.51 0.14 1.78 0.52 -1.26 -1.22 118.95 120.06 2xai s ARG 234 Ca 0.50 0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.63 2xai s ARG 234 Cb -0.15 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2xai s ARG 234 CO 0.20 -0.15 1.74 -1.35 0.02 0.00 0.00 175.30 175.76 2xai h PRO 235 N 0.32 0.57 -0.18 3.54 0.11 -1.75 -0.22 132.00 134.38 2xai h PRO 235 Ca -0.47 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 65.62 2xai h PRO 235 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2xai h PRO 235 CO 0.61 0.47 0.53 -0.24 -0.21 0.00 0.00 178.00 179.17 2xai h VAL 236 N 0.52 0.09 0.00 3.15 3.04 -1.93 -0.47 116.25 120.65 2xai h VAL 236 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2xai h VAL 236 Cb 0.07 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 2xai h VAL 236 CO -0.02 0.00 -0.23 -0.33 -1.01 0.00 0.00 177.57 175.98 2xai h GLU 237 N 0.00 0.00 0.04 4.17 5.08 -1.42 -2.58 114.58 119.87 2xai h GLU 237 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2xai h GLU 237 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2xai h GLU 237 CO -0.00 0.00 -1.04 -0.07 -1.00 0.00 0.00 179.01 176.90 2xai h LEU 238 N 0.00 0.16 -9.78 1.33 3.38 -1.14 -3.47 115.31 105.79 2xai h LEU 238 Ca 0.00 -0.17 -0.50 0.00 0.09 0.00 0.00 57.88 57.30 2xai h LEU 238 Cb 0.79 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2xai h LEU 238 CO 0.00 1.10 0.46 0.54 0.09 0.00 0.00 178.44 180.62 2xai s VAL 239 N -2.79 3.61 0.26 1.22 0.11 -0.98 -4.29 120.40 117.55 2xai s VAL 239 Ca -0.01 1.59 -0.20 0.00 -2.93 0.00 0.00 61.98 60.43 2xai s VAL 239 Cb 0.09 -4.01 -0.13 0.00 -1.53 0.00 0.00 36.38 30.79 2xai s VAL 239 CO 0.84 0.37 0.22 -2.65 -3.33 0.00 0.00 175.10 170.55 2xai n PRO 240 N 1.37 0.00 -0.17 1.54 -0.02 -1.26 -4.85 135.00 131.61 2xai n PRO 240 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.45 2xai n PRO 240 Cb 0.45 -0.83 0.04 0.00 -0.02 0.00 0.00 33.50 33.15 2xai n PRO 240 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2xai h PRO 241 N 0.50 0.01 0.00 0.52 0.10 -1.98 -2.26 132.00 128.89 2xai h PRO 241 Ca -0.27 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.82 2xai h PRO 241 Cb 1.20 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 2xai h PRO 241 CO 0.42 0.01 0.00 -0.85 0.10 0.00 0.00 178.00 177.68 2xai n GLU 242 N -5.36 0.45 -2.98 1.05 0.00 -1.26 -4.86 120.64 107.69 2xai n GLU 242 Ca 0.05 0.05 -0.37 0.00 0.00 0.00 0.00 57.16 56.89 2xai n GLU 242 Cb 0.28 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 2xai n GLU 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2xai s SER 243 N -2.33 7.23 0.00 -1.84 0.15 -0.85 -4.95 113.70 111.11 2xai s SER 243 Ca 0.25 1.60 0.22 0.00 0.70 0.00 0.00 55.95 58.72 2xai s SER 243 Cb 0.14 -2.49 1.25 0.00 -1.71 0.00 0.00 66.02 63.22 2xai s SER 243 CO 0.29 0.06 1.68 -2.65 1.20 0.00 0.00 173.24 173.81 2xai n PRO 244 N 0.93 0.60 -0.20 5.44 -0.02 -1.26 -3.10 135.00 137.38 2xai n PRO 244 Ca -0.02 0.02 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2xai n PRO 244 Cb 0.50 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.50 2xai n PRO 244 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2xai h LEU 245 N 0.00 0.81 -0.00 2.45 3.38 -1.92 -0.82 115.31 119.20 2xai h LEU 245 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2xai h LEU 245 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2xai h LEU 245 CO 0.00 0.80 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 2xai h ALA 246 N 1.04 -0.47 -1.15 1.53 0.00 -1.87 0.86 119.26 119.20 2xai h ALA 246 Ca 0.18 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.42 2xai h ALA 246 Cb 0.27 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2xai h ALA 246 CO -0.01 -0.48 0.90 -0.56 0.00 0.00 0.00 179.25 179.11 2xai h GLN 247 N -0.03 0.00 0.07 0.00 -0.00 -1.77 -0.57 115.11 112.81 2xai h GLN 247 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2xai h GLN 247 Cb 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.53 2xai h GLN 247 CO -0.02 0.00 -0.66 1.25 -0.00 0.00 0.00 178.83 179.40 2xai h LEU 248 N 0.00 0.47 -0.02 0.06 5.85 0.48 -1.40 115.31 120.76 2xai h LEU 248 Ca 0.55 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2xai h LEU 248 Cb 2.34 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 43.23 2xai h LEU 248 CO -0.01 1.28 0.00 0.49 -0.34 0.00 0.00 178.44 179.86 2xai n PHE 249 N -4.20 0.01 -0.06 1.25 0.99 0.28 -3.03 117.46 112.71 2xai n PHE 249 Ca -0.12 0.01 -0.06 0.00 -0.00 0.00 0.00 57.45 57.28 2xai n PHE 249 Cb 0.73 -0.51 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 2xai n PHE 249 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2xai n LEU 250 N -1.51 1.30 -0.31 4.37 4.77 -0.70 -4.39 117.00 120.52 2xai n LEU 250 Ca 0.02 0.22 0.25 0.00 -0.03 0.00 0.00 56.01 56.48 2xai n LEU 250 Cb 0.12 -0.64 0.48 0.00 -2.33 0.00 0.00 43.42 41.04 2xai n LEU 250 CO 0.09 -0.36 0.94 -1.84 -1.33 0.00 0.00 177.39 174.89 2xai n GLU 251 N -3.81 -0.06 -2.75 3.23 0.00 -0.53 -3.14 120.64 113.58 2xai n GLU 251 Ca -0.09 1.36 -0.43 0.00 0.00 0.00 0.00 57.16 57.99 2xai n GLU 251 Cb 0.34 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.43 2xai n GLU 251 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2xai n ARG 252 N -5.25 3.62 -0.41 3.44 -4.01 -1.17 -4.85 116.66 108.04 2xai n ARG 252 Ca 0.32 -3.87 0.00 0.00 -1.04 0.00 0.00 57.85 53.26 2xai n ARG 252 Cb 1.08 -2.88 0.00 0.00 -3.04 0.00 0.00 32.46 27.61 2xai n ARG 252 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2xai n GLY 254 N 3.11 0.00 3.81 2.89 0.00 -1.19 -4.92 105.19 108.89 2xai n GLY 254 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2xai n GLY 254 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2xai s PRO 255 N -2.59 3.45 0.74 1.61 0.02 -1.26 -5.06 135.00 131.91 2xai s PRO 255 Ca 0.00 1.19 -0.11 0.00 0.02 0.00 0.00 61.00 62.10 2xai s PRO 255 Cb 0.00 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.50 2xai s PRO 255 CO 0.00 -0.70 1.07 -2.14 -0.33 0.00 0.00 177.00 174.90 2xai s PRO 256 N -3.98 2.57 0.75 5.54 0.02 -1.26 -5.01 135.00 133.64 2xai s PRO 256 Ca 0.63 0.87 -0.14 0.00 0.02 0.00 0.00 61.00 62.38 2xai s PRO 256 Cb -0.15 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.46 2xai s PRO 256 CO 0.34 -1.34 1.18 -1.54 -0.33 0.00 0.00 177.00 175.31 2xai s SER 257 N -3.79 4.11 0.45 2.53 1.04 -1.26 -4.77 113.70 112.01 2xai s SER 257 Ca 0.59 2.25 0.17 0.00 0.48 0.00 0.00 55.95 59.45 2xai s SER 257 Cb -0.14 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.52 2xai s SER 257 CO 0.55 -2.31 1.94 0.25 0.98 0.00 0.00 173.24 174.65 2xai h LEU 258 N -0.57 0.31 -0.08 2.42 5.85 -1.98 -0.57 115.31 120.68 2xai h LEU 258 Ca -0.46 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2xai h LEU 258 Cb 1.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2xai h LEU 258 CO 0.49 0.16 0.02 0.24 -0.34 0.00 0.00 178.44 179.01 2xai h MET 259 N 0.33 0.13 -0.60 1.25 2.86 -1.99 -0.44 114.93 116.47 2xai h MET 259 Ca 0.33 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2xai h MET 259 Cb 0.84 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 2xai h MET 259 CO -0.09 0.32 0.38 0.37 1.06 0.00 0.00 176.91 178.96 2xai h GLN 260 N -0.09 0.80 -0.50 1.72 5.75 -1.68 -0.53 115.11 120.58 2xai h GLN 260 Ca 0.02 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 2xai h GLN 260 Cb 0.25 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2xai h GLN 260 CO 0.00 0.54 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.57 2xai h LEU 261 N 0.82 0.89 -0.72 -2.39 3.38 -0.91 -2.55 115.31 113.83 2xai h LEU 261 Ca 0.22 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2xai h LEU 261 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2xai h LEU 261 CO -0.04 1.00 -0.33 0.00 0.09 0.00 0.00 178.44 179.15 2xai h ARG 263 N 0.51 -0.57 -0.73 0.00 2.43 -0.95 -1.57 114.38 113.50 2xai h ARG 263 Ca 0.06 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.43 2xai h ARG 263 Cb 0.82 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.39 2xai h ARG 263 CO 0.07 -0.36 0.08 -0.07 -1.51 0.00 0.00 179.97 178.17 2xai h LEU 264 N -0.63 -0.18 -0.13 3.80 3.38 -1.51 0.13 115.31 120.16 2xai h LEU 264 Ca -0.06 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2xai h LEU 264 Cb 0.48 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2xai h LEU 264 CO 0.10 -0.12 -0.01 -0.09 0.09 0.00 0.00 178.44 178.42 2xai h ARG 265 N 0.17 0.23 0.23 1.13 9.65 -1.27 -1.65 114.38 122.86 2xai h ARG 265 Ca 0.41 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 2xai h ARG 265 Cb 0.71 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2xai h ARG 265 CO -0.58 0.48 -0.11 0.82 2.80 0.00 0.00 179.97 183.38 2xai h ILE 266 N -0.04 0.83 -1.09 1.20 2.04 -1.08 -2.75 117.51 116.62 2xai h ILE 266 Ca 0.04 -0.35 0.30 0.00 1.00 0.00 0.00 64.86 65.85 2xai h ILE 266 Cb 0.38 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 2xai h ILE 266 CO 0.01 0.08 0.74 0.03 0.00 0.00 0.00 178.15 179.01 2xai h ARG 267 N -0.48 0.20 0.00 2.37 3.08 -0.99 0.47 114.38 119.04 2xai h ARG 267 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2xai h ARG 267 Cb 0.36 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2xai h ARG 267 CO 0.05 0.14 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.74 2xai h LYS 268 N 0.21 0.00 0.00 0.04 3.64 -0.98 -2.19 116.57 117.29 2xai h LYS 268 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2xai h LYS 268 Cb 1.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2xai h LYS 268 CO -0.17 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.14 2xai s PHE 270 N -3.01 3.34 1.05 0.00 0.08 -0.82 -5.11 117.98 113.52 2xai s PHE 270 Ca 0.11 0.20 -0.16 0.00 0.12 0.00 0.00 56.93 57.20 2xai s PHE 270 Cb 0.15 -1.72 0.22 0.00 -0.57 0.00 0.00 43.02 41.10 2xai s PHE 270 CO 0.43 0.57 1.18 0.20 -0.10 0.00 0.00 175.22 177.49 2xai s GLY 271 N -2.11 1.64 0.14 4.36 0.00 -1.26 -4.92 107.32 105.17 2xai s GLY 271 Ca 0.28 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.79 2xai s GLY 271 CO 0.20 -0.14 1.79 -0.42 0.00 0.00 0.00 173.10 174.53 2xai s ILE 272 N -3.34 2.47 -1.45 0.90 -1.09 -1.26 -1.94 121.20 115.49 2xai s ILE 272 Ca 0.70 0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 59.11 2xai s ILE 272 Cb -0.10 -3.06 0.05 0.00 -1.58 0.00 0.00 42.46 37.78 2xai s ILE 272 CO 0.54 0.00 0.96 0.00 -1.23 0.00 0.00 174.94 175.22 2xai n GLN 273 N 5.28 -5.82 0.00 2.79 6.02 -0.45 -4.85 117.38 120.35 2xai n GLN 273 Ca 0.17 0.64 0.01 0.00 -0.01 0.00 0.00 57.00 57.82 2xai n GLN 273 Cb 0.38 -5.50 -0.00 0.00 1.02 0.00 0.00 30.24 26.14 2xai n GLN 273 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2xai n GLN 274 N -4.64 3.03 0.21 -1.09 1.13 -0.82 -4.71 117.38 110.48 2xai n GLN 274 Ca -0.04 -0.31 0.13 0.00 -1.94 0.00 0.00 57.00 54.84 2xai n GLN 274 Cb 0.57 -0.82 0.73 0.00 0.11 0.00 0.00 30.24 30.83 2xai n GLN 274 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2xai h HIS 275 N 0.25 0.00 -1.10 1.08 3.86 -1.89 0.51 115.15 117.87 2xai h HIS 275 Ca 0.00 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.51 2xai h HIS 275 Cb 0.08 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.46 2xai h HIS 275 CO 0.00 0.00 0.72 1.12 0.86 0.00 0.00 177.93 180.63 2xai h HIS 276 N 0.00 0.53 0.00 2.45 2.07 -1.96 0.34 115.15 118.58 2xai h HIS 276 Ca 0.06 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 2xai h HIS 276 Cb 0.28 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.11 2xai h HIS 276 CO 0.00 0.02 0.09 0.87 -3.07 0.00 0.00 177.93 175.84 2xai h LYS 277 N 0.29 0.00 0.00 5.12 1.57 -0.33 0.57 116.57 123.79 2xai h LYS 277 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2xai h LYS 277 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2xai h LYS 277 CO -0.26 0.00 0.20 0.82 -0.57 0.00 0.00 179.45 179.64 2xai h ILE 278 N 0.00 0.00 -0.22 1.86 2.04 -0.49 0.20 117.51 120.90 2xai h ILE 278 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2xai h ILE 278 Cb 0.18 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2xai h ILE 278 CO 0.00 0.00 -0.04 0.74 0.00 0.00 0.00 178.15 178.85 2xai h THR 279 N 0.00 1.16 0.00 -0.27 2.02 -0.04 -2.75 112.91 113.04 2xai h THR 279 Ca 0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2xai h THR 279 Cb 0.40 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2xai h THR 279 CO 0.00 0.22 0.00 0.11 0.37 0.00 0.00 175.52 176.22 2xai h LYS 280 N 0.33 0.00 -7.11 6.66 1.57 -0.80 -3.45 116.57 113.76 2xai h LYS 280 Ca 0.07 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 2xai h LYS 280 Cb 0.29 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.71 2xai h LYS 280 CO 0.01 0.00 0.46 -0.51 -0.57 0.00 0.00 179.45 178.84 2xai s LEU 281 N -5.92 3.63 -0.81 2.94 1.43 -1.04 -4.93 118.68 113.98 2xai s LEU 281 Ca 0.03 2.37 -0.24 0.00 -1.03 0.00 0.00 54.13 55.26 2xai s LEU 281 Cb 0.08 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.77 2xai s LEU 281 CO 0.55 -1.64 1.20 -0.69 0.23 0.00 0.00 176.35 176.00 2xai s VAL 282 N -1.65 4.09 -0.26 -1.59 1.01 -1.26 -4.94 120.40 115.80 2xai s VAL 282 Ca 0.77 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 2xai s VAL 282 Cb -0.30 -4.86 0.07 0.00 0.00 0.00 0.00 36.38 31.29 2xai s VAL 282 CO 0.34 -1.71 0.70 -0.22 0.00 0.00 0.00 175.10 174.21 2xai s LEU 283 N 4.64 -0.70 0.21 3.92 2.96 -1.26 -5.13 118.68 123.31 2xai s LEU 283 Ca 0.33 1.42 -0.32 0.00 -0.22 0.00 0.00 54.13 55.34 2xai s LEU 283 Cb -0.08 2.39 -0.15 0.00 0.50 0.00 0.00 46.19 48.85 2xai s LEU 283 CO 0.04 -0.24 1.26 -2.65 -1.32 0.00 0.00 176.35 173.44 2xai n PRO 284 N 2.90 1.54 -0.32 0.98 -0.02 -1.26 -4.79 135.00 134.04 2xai n PRO 284 Ca -0.15 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2xai n PRO 284 Cb 0.56 -2.11 0.36 0.00 -0.02 0.00 0.00 33.50 32.28 2xai n PRO 284 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2xai h GLU 285 N 3.68 0.70 -0.66 -0.52 4.57 -2.00 0.12 114.58 120.46 2xai h GLU 285 Ca -0.44 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 57.84 2xai h GLU 285 Cb 1.31 -0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.65 2xai h GLU 285 CO 0.72 0.46 0.10 -0.44 -1.18 0.00 0.00 179.01 178.67 2xai h ASP 286 N 0.72 -0.09 0.80 1.04 3.32 -2.00 -1.98 116.42 118.22 2xai h ASP 286 Ca 0.52 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.58 2xai h ASP 286 Cb 0.86 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2xai h ASP 286 CO -0.28 -0.05 -0.60 -0.07 -1.72 0.00 0.00 179.24 176.51 2xai h LEU 287 N 0.21 0.00 -0.62 1.55 3.38 -1.13 -1.79 115.31 116.91 2xai h LEU 287 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 2xai h LEU 287 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2xai h LEU 287 CO -0.49 0.60 0.28 0.11 0.09 0.00 0.00 178.44 179.03 2xai h LYS 288 N 0.00 0.91 -0.14 1.13 1.57 -0.99 0.93 116.57 119.98 2xai h LYS 288 Ca -0.01 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 2xai h LYS 288 Cb 1.16 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2xai h LYS 288 CO 0.08 0.74 -0.58 1.96 -0.57 0.00 0.00 179.45 181.08 2xai h GLN 289 N 0.85 0.45 0.10 3.15 4.20 -1.27 -0.65 115.11 121.94 2xai h GLN 289 Ca 0.21 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2xai h GLN 289 Cb 0.15 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2xai h GLN 289 CO -0.02 0.90 -0.05 0.35 -0.67 0.00 0.00 178.83 179.34 2xai h PHE 290 N 0.34 -0.13 -0.34 2.96 3.57 -0.98 0.10 116.94 122.46 2xai h PHE 290 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2xai h PHE 290 Cb 1.11 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2xai h PHE 290 CO 0.04 -0.08 0.24 -0.07 -2.23 0.00 0.00 178.31 176.21 2xai h LEU 291 N -0.13 0.10 -1.59 0.59 3.38 -0.66 -1.84 115.31 115.16 2xai h LEU 291 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2xai h LEU 291 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2xai h LEU 291 CO 0.02 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.79 2xai n LEU 292 N -4.46 2.37 -3.55 1.67 4.77 -0.27 -4.93 117.00 112.60 2xai n LEU 292 Ca 0.05 -1.06 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 2xai n LEU 292 Cb 0.34 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2xai n LEU 292 CO 0.35 0.53 0.10 1.41 -1.33 0.00 0.00 177.39 178.45 2xai n HIS 293 N 0.78 -2.32 0.94 -1.77 8.25 -0.58 -5.03 115.22 115.48 2xai n HIS 293 Ca 0.17 0.79 0.11 0.00 -0.26 0.00 0.00 57.72 58.53 2xai n HIS 293 Cb 0.42 -4.26 0.09 0.00 1.12 0.00 0.00 29.99 27.37 2xai n HIS 293 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26