#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwa s VAL 2 N 0.00 4.42 0.02 2.03 1.01 -1.26 -4.50 120.40 122.12 1xwa s VAL 2 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1xwa s VAL 2 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xwa s VAL 2 CO 0.00 0.37 0.09 -0.47 0.00 0.00 0.00 175.10 175.09 1xwa s TYR 3 N 1.32 3.29 -0.32 5.22 6.14 -1.11 -4.92 117.35 126.97 1xwa s TYR 3 Ca 0.05 0.19 -0.08 0.00 0.64 0.00 0.00 57.07 57.87 1xwa s TYR 3 Cb -0.15 -1.72 0.02 0.00 0.42 0.00 0.00 41.96 40.53 1xwa s TYR 3 CO 0.04 0.55 0.12 -1.14 0.64 0.00 0.00 175.55 175.76 1xwa s GLN 4 N -1.94 2.97 0.70 4.97 0.74 -1.26 0.42 119.66 126.27 1xwa s GLN 4 Ca 0.25 -0.95 -0.16 0.00 0.05 0.00 0.00 55.36 54.55 1xwa s GLN 4 Cb -0.12 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1xwa s GLN 4 CO 0.17 -0.54 1.05 1.33 -0.55 0.00 0.00 175.29 176.75 1xwa n VAL 5 N 4.90 3.26 -0.08 1.34 0.24 -0.76 -4.94 118.33 122.29 1xwa n VAL 5 Ca -0.13 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 1xwa n VAL 5 Cb 0.47 -1.19 -0.15 0.00 -1.47 0.00 0.00 33.84 31.50 1xwa n VAL 5 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1xwa n LYS 6 N -1.89 0.67 -3.88 7.34 5.02 -1.26 -4.82 118.16 119.35 1xwa n LYS 6 Ca 0.14 0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1xwa n LYS 6 Cb 0.49 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1xwa n LYS 6 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1xwa s ASP 7 N -5.67 -0.01 0.36 4.39 -4.77 -1.26 -4.90 116.67 104.81 1xwa s ASP 7 Ca -0.09 -0.62 0.05 0.00 -3.30 0.00 0.00 52.55 48.59 1xwa s ASP 7 Cb 0.07 0.47 0.72 0.00 -1.09 0.00 0.00 42.92 43.09 1xwa s ASP 7 CO 0.82 -0.94 1.97 0.50 0.70 0.00 0.00 175.17 178.22 1xwa h LYS 8 N 2.00 0.76 -0.38 2.11 3.64 -1.97 0.88 116.57 123.60 1xwa h LYS 8 Ca -0.27 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1xwa h LYS 8 Cb 1.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1xwa h LYS 8 CO 0.35 0.50 0.04 0.00 -2.27 0.00 0.00 179.45 178.07 1xwa h ALA 9 N 1.60 0.51 -0.63 5.00 0.00 -1.99 -1.48 119.26 122.27 1xwa h ALA 9 Ca 0.30 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xwa h ALA 9 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xwa h ALA 9 CO -0.10 0.24 0.11 0.22 0.00 0.00 0.00 179.25 179.72 1xwa h ASP 10 N 0.48 0.99 -0.20 0.00 3.58 -1.70 -2.26 116.42 117.31 1xwa h ASP 10 Ca 0.11 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1xwa h ASP 10 Cb 0.41 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1xwa h ASP 10 CO 0.01 0.99 0.12 0.25 -2.88 0.00 0.00 179.24 177.73 1xwa h LEU 11 N 0.94 0.25 -1.14 2.28 5.85 -0.70 -0.14 115.31 122.65 1xwa h LEU 11 Ca 0.19 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1xwa h LEU 11 Cb 0.42 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1xwa h LEU 11 CO 0.01 0.25 0.59 0.44 -0.34 0.00 0.00 178.44 179.39 1xwa h ASP 12 N 0.23 0.94 -0.16 1.25 3.45 -1.17 0.31 116.42 121.27 1xwa h ASP 12 Ca 0.07 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.41 1xwa h ASP 12 Cb 0.05 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1xwa h ASP 12 CO -0.01 0.63 -0.32 1.23 -1.57 0.00 0.00 179.24 179.20 1xwa h GLY 13 N 1.08 0.71 1.36 2.75 0.00 -0.98 -2.44 103.07 105.56 1xwa h GLY 13 Ca 0.37 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1xwa h GLY 13 CO -0.13 0.59 -0.13 -1.61 0.00 0.00 0.00 176.54 175.26 1xwa h GLN 14 N 0.56 0.75 0.13 4.80 5.75 0.41 -2.44 115.11 125.07 1xwa h GLN 14 Ca 0.06 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1xwa h GLN 14 Cb 0.82 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1xwa h GLN 14 CO 0.07 0.85 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.97 1xwa h LEU 15 N 0.68 -0.14 -1.40 -2.39 3.38 -0.82 -0.66 115.31 113.95 1xwa h LEU 15 Ca 0.11 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 57.91 1xwa h LEU 15 Cb 0.61 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1xwa h LEU 15 CO 0.04 0.24 0.53 0.71 0.09 0.00 0.00 178.44 180.06 1xwa h THR 16 N -0.55 0.86 -0.18 0.22 1.35 -1.44 -0.95 112.91 112.22 1xwa h THR 16 Ca -0.02 -0.21 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1xwa h THR 16 Cb 0.44 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1xwa h THR 16 CO 0.03 0.11 -0.08 0.11 -0.25 0.00 0.00 175.52 175.44 1xwa h LYS 17 N 0.61 0.36 -0.29 4.72 1.57 -1.28 -2.95 116.57 119.32 1xwa h LYS 17 Ca 0.40 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 1xwa h LYS 17 Cb 0.68 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1xwa h LYS 17 CO -0.16 0.66 0.73 0.00 -0.57 0.00 0.00 179.45 180.11 1xwa h ALA 18 N 0.69 2.01 -0.96 3.86 0.00 0.32 -3.45 119.26 121.73 1xwa h ALA 18 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xwa h ALA 18 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xwa h ALA 18 CO 0.02 -0.87 0.00 0.45 0.00 0.00 0.00 179.25 178.85 1xwa n SER 19 N -3.01 0.00 -0.71 0.00 2.88 -1.12 -1.75 113.62 109.92 1xwa n SER 19 Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1xwa n SER 19 Cb 0.84 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.62 1xwa n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xwa n GLY 20 N 0.00 0.66 3.76 0.46 0.00 -1.26 -4.30 105.19 104.51 1xwa n GLY 20 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1xwa n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwa s LYS 21 N -1.72 1.71 -0.06 1.61 1.02 -0.72 -4.71 119.74 116.87 1xwa s LYS 21 Ca 0.33 0.78 -0.28 0.00 0.02 0.00 0.00 55.97 56.83 1xwa s LYS 21 Cb 0.19 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1xwa s LYS 21 CO 0.27 -1.92 0.90 -1.17 -0.92 0.00 0.00 175.35 172.51 1xwa s LEU 22 N -6.01 4.30 -0.20 3.17 2.96 -0.84 -4.50 118.68 117.56 1xwa s LEU 22 Ca 0.62 1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 55.91 1xwa s LEU 22 Cb -0.16 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1xwa s LEU 22 CO 0.56 -0.29 0.06 -0.69 -1.32 0.00 0.00 176.35 174.67 1xwa s VAL 23 N 1.36 4.69 -0.31 1.68 1.01 0.46 -1.34 120.40 127.94 1xwa s VAL 23 Ca 0.46 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1xwa s VAL 23 Cb -0.19 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1xwa s VAL 23 CO 0.21 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 175.11 1xwa s VAL 24 N 0.66 3.59 -0.27 2.92 1.01 -0.67 -0.91 120.40 126.73 1xwa s VAL 24 Ca 0.03 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 1xwa s VAL 24 Cb -0.13 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1xwa s VAL 24 CO 0.02 -0.04 0.56 -0.76 0.00 0.00 0.00 175.10 174.87 1xwa s LEU 25 N 1.40 4.08 -0.47 3.92 1.43 0.12 -1.32 118.68 127.83 1xwa s LEU 25 Ca -0.01 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1xwa s LEU 25 Cb -0.18 -2.72 0.11 0.00 0.03 0.00 0.00 46.19 43.42 1xwa s LEU 25 CO 0.01 -0.34 0.36 -0.62 0.23 0.00 0.00 176.35 175.99 1xwa s ASP 26 N 1.56 5.81 -0.33 2.29 2.15 0.40 -1.48 116.67 127.06 1xwa s ASP 26 Ca 0.23 -1.77 -0.25 0.00 0.43 0.00 0.00 52.55 51.18 1xwa s ASP 26 Cb -0.15 -2.05 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1xwa s ASP 26 CO 0.10 -0.69 0.89 -0.36 -0.17 0.00 0.00 175.17 174.94 1xwa s PHE 27 N 1.44 3.14 0.26 -5.34 0.08 -0.66 0.15 117.98 117.06 1xwa s PHE 27 Ca 0.05 0.86 0.02 0.00 0.12 0.00 0.00 56.93 57.97 1xwa s PHE 27 Cb -0.26 -3.47 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 1xwa s PHE 27 CO 0.01 -0.71 0.16 -0.59 -0.10 0.00 0.00 175.22 173.99 1xwa s PHE 28 N 3.28 1.44 -0.05 0.36 -0.12 -0.05 -2.60 117.98 120.23 1xwa s PHE 28 Ca 0.37 -1.39 -0.04 0.00 -0.05 0.00 0.00 56.93 55.82 1xwa s PHE 28 Cb -0.13 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 1xwa s PHE 28 CO 0.15 -0.59 0.13 0.00 -0.05 0.00 0.00 175.22 174.86 1xwa s ALA 29 N -3.82 -0.32 0.47 1.99 0.00 -1.26 -1.38 121.76 117.43 1xwa s ALA 29 Ca 0.38 0.38 0.36 0.00 0.00 0.00 0.00 51.96 53.08 1xwa s ALA 29 Cb 0.06 -0.22 1.86 0.00 0.00 0.00 0.00 23.12 24.81 1xwa s ALA 29 CO 0.16 -0.07 2.19 1.79 0.00 0.00 0.00 175.76 179.84 1xwa h THR 30 N 4.98 0.23 -0.00 0.00 1.35 -2.00 -1.83 112.91 115.63 1xwa h THR 30 Ca -0.26 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1xwa h THR 30 Cb 1.20 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1xwa h THR 30 CO 0.43 0.04 -0.35 -2.67 -0.25 0.00 0.00 175.52 172.71 1xwa n TRP 31 N -3.33 0.00 -2.97 4.73 4.27 -1.26 -4.82 117.44 114.05 1xwa n TRP 31 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1xwa n TRP 31 Cb 0.17 -0.17 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 1xwa n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xwa h GLY 33 N 9.87 -0.85 0.42 0.00 0.00 -1.88 -2.70 103.07 107.94 1xwa h GLY 33 Ca -0.25 0.40 0.19 0.00 0.00 0.00 0.00 47.33 47.67 1xwa h GLY 33 CO 0.92 -0.30 0.57 -2.55 0.00 0.00 0.00 176.54 175.18 1xwa h PRO 34 N -0.76 0.37 -0.36 4.80 0.11 -1.93 -0.12 132.00 134.10 1xwa h PRO 34 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1xwa h PRO 34 Cb 0.67 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1xwa h PRO 34 CO -0.03 0.24 0.21 0.00 -0.21 0.00 0.00 178.00 178.21 1xwa h LYS 36 N 0.46 0.00 -0.04 0.00 1.57 -0.88 -2.72 116.57 114.96 1xwa h LYS 36 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1xwa h LYS 36 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xwa h LYS 36 CO -0.02 0.45 -0.70 1.98 -0.57 0.00 0.00 179.45 180.59 1xwa h MET 37 N 0.00 0.22 -0.00 3.15 4.05 -0.70 -3.19 114.93 118.46 1xwa h MET 37 Ca -0.00 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1xwa h MET 37 Cb 0.94 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1xwa h MET 37 CO 0.06 0.83 -0.55 1.51 0.23 0.00 0.00 176.91 178.99 1xwa n ILE 38 N -3.79 0.00 -0.15 1.77 3.06 -0.70 -4.42 119.36 115.14 1xwa n ILE 38 Ca -0.03 -0.05 -0.03 0.00 -2.50 0.00 0.00 62.75 60.15 1xwa n ILE 38 Cb 0.68 0.51 0.04 0.00 0.54 0.00 0.00 39.64 41.41 1xwa n ILE 38 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1xwa h SER 39 N 0.42 -0.35 -0.24 9.51 0.87 -1.46 -1.81 113.55 120.49 1xwa h SER 39 Ca 0.00 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1xwa h SER 39 Cb 0.52 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.67 1xwa h SER 39 CO 0.00 -0.12 -0.21 -0.65 -0.53 0.00 0.00 176.83 175.31 1xwa h PRO 40 N 0.04 -0.21 -0.64 2.24 0.11 -1.78 -0.60 132.00 131.16 1xwa h PRO 40 Ca 0.23 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1xwa h PRO 40 Cb 0.35 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1xwa h PRO 40 CO -0.45 -0.14 0.34 -0.22 -0.21 0.00 0.00 178.00 177.33 1xwa h LYS 41 N -0.21 0.89 -0.39 1.05 1.63 -1.78 0.00 116.57 117.76 1xwa h LYS 41 Ca 0.14 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1xwa h LYS 41 Cb 0.42 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1xwa h LYS 41 CO -0.37 0.66 0.20 1.25 -3.45 0.00 0.00 179.45 177.74 1xwa h LEU 42 N 0.89 0.51 -0.09 5.20 7.12 -0.45 0.76 115.31 129.25 1xwa h LEU 42 Ca 0.23 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1xwa h LEU 42 Cb 0.04 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1xwa h LEU 42 CO -0.04 0.48 0.06 0.58 -0.13 0.00 0.00 178.44 179.39 1xwa h VAL 43 N 0.49 1.06 -0.65 1.05 2.07 -0.60 -1.50 116.25 118.18 1xwa h VAL 43 Ca 0.14 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.64 1xwa h VAL 43 Cb 0.10 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1xwa h VAL 43 CO -0.02 0.05 -0.01 -0.08 0.02 0.00 0.00 177.57 177.53 1xwa h GLU 44 N 0.09 0.10 -0.46 1.57 4.81 -0.52 -0.98 114.58 119.20 1xwa h GLU 44 Ca 0.03 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1xwa h GLU 44 Cb 0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xwa h GLU 44 CO -0.01 0.07 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.22 1xwa h LEU 45 N 0.11 0.76 -1.33 1.64 3.38 -0.48 -0.53 115.31 118.87 1xwa h LEU 45 Ca 0.34 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xwa h LEU 45 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1xwa h LEU 45 CO -0.56 0.86 0.46 0.77 0.09 0.00 0.00 178.44 180.06 1xwa h SER 46 N 0.72 0.79 0.05 -0.43 4.64 -0.15 0.23 113.55 119.41 1xwa h SER 46 Ca 0.13 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1xwa h SER 46 Cb 0.52 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1xwa h SER 46 CO 0.03 0.57 -0.53 0.74 -0.87 0.00 0.00 176.83 176.77 1xwa h THR 47 N 0.93 1.53 -0.80 2.95 2.02 -1.08 -0.94 112.91 117.52 1xwa h THR 47 Ca 0.25 -2.24 0.02 0.00 0.77 0.00 0.00 66.41 65.22 1xwa h THR 47 Cb -0.10 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1xwa h THR 47 CO -0.06 0.63 0.53 -0.61 0.37 0.00 0.00 175.52 176.38 1xwa h GLN 48 N -0.39 1.01 -0.30 6.66 4.15 -0.82 -2.88 115.11 122.54 1xwa h GLN 48 Ca -0.08 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 1xwa h GLN 48 Cb 1.32 -0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.70 1xwa h GLN 48 CO 0.10 0.67 -0.10 1.19 -1.93 0.00 0.00 178.83 178.76 1xwa n PHE 49 N -4.43 0.94 -1.62 3.99 3.01 0.80 -5.02 117.46 115.12 1xwa n PHE 49 Ca 0.10 -1.48 -0.35 0.00 1.01 0.00 0.00 57.45 56.73 1xwa n PHE 49 Cb 0.07 -0.44 0.07 0.00 -0.01 0.00 0.00 39.48 39.18 1xwa n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xwa s ALA 50 N -3.18 2.27 0.00 4.37 0.00 -0.36 -1.51 121.76 123.35 1xwa s ALA 50 Ca 0.43 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1xwa s ALA 50 Cb 0.39 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1xwa s ALA 50 CO 0.00 -1.63 0.00 -0.25 0.00 0.00 0.00 175.76 173.88 1xwa n ASP 51 N -2.36 0.00 0.00 0.00 10.43 -1.26 -4.66 116.55 118.71 1xwa n ASP 51 Ca 0.13 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.49 1xwa n ASP 51 Cb 0.50 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.46 1xwa n ASP 51 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xwa n ASN 52 N 0.28 4.25 -4.16 -2.24 5.03 -1.03 -5.01 115.26 112.38 1xwa n ASN 52 Ca 0.00 -0.02 -0.18 0.00 0.87 0.00 0.00 54.58 55.24 1xwa n ASN 52 Cb 0.00 0.90 -0.12 0.00 -1.02 0.00 0.00 39.78 39.54 1xwa n ASN 52 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xwa s VAL 53 N -1.75 1.08 -0.20 2.41 1.01 -0.57 -1.99 120.40 120.40 1xwa s VAL 53 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1xwa s VAL 53 Cb 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1xwa s VAL 53 CO 0.00 -0.20 -0.01 -0.69 0.00 0.00 0.00 175.10 174.20 1xwa s VAL 54 N -1.21 0.93 -0.22 2.92 1.01 -0.45 -4.61 120.40 118.77 1xwa s VAL 54 Ca -0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1xwa s VAL 54 Cb -0.10 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1xwa s VAL 54 CO 0.02 -0.10 0.46 -0.69 0.00 0.00 0.00 175.10 174.79 1xwa s VAL 55 N 1.68 5.14 -0.15 2.92 1.01 -1.26 -1.68 120.40 128.06 1xwa s VAL 55 Ca -0.02 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1xwa s VAL 55 Cb -0.17 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1xwa s VAL 55 CO -0.07 0.19 -0.21 -0.76 0.00 0.00 0.00 175.10 174.24 1xwa s LEU 56 N 1.66 2.10 0.01 3.92 1.43 -0.44 -2.76 118.68 124.60 1xwa s LEU 56 Ca 0.21 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 1xwa s LEU 56 Cb -0.15 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 1xwa s LEU 56 CO 0.09 0.06 0.55 -0.54 0.23 0.00 0.00 176.35 176.74 1xwa s LYS 57 N 0.93 4.24 -0.17 1.70 1.02 0.17 -0.46 119.74 127.18 1xwa s LYS 57 Ca -0.04 0.67 -0.00 0.00 0.02 0.00 0.00 55.97 56.62 1xwa s LYS 57 Cb -0.15 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1xwa s LYS 57 CO -0.05 0.46 -0.07 0.08 -0.92 0.00 0.00 175.35 174.86 1xwa s VAL 58 N -0.48 1.25 -0.53 3.17 1.01 0.12 -1.82 120.40 123.11 1xwa s VAL 58 Ca 0.29 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1xwa s VAL 58 Cb -0.18 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1xwa s VAL 58 CO 0.17 0.18 1.01 -0.62 0.00 0.00 0.00 175.10 175.84 1xwa s ASP 59 N 1.58 6.42 0.59 3.32 -1.08 -1.26 -0.87 116.67 125.37 1xwa s ASP 59 Ca 0.01 -0.07 0.29 0.00 -0.52 0.00 0.00 52.55 52.25 1xwa s ASP 59 Cb -0.15 -2.48 1.66 0.00 -1.46 0.00 0.00 42.92 40.49 1xwa s ASP 59 CO -0.08 -1.25 2.11 -0.37 0.52 0.00 0.00 175.17 176.10 1xwa h VAL 60 N 6.08 0.49 0.00 1.11 -1.51 -1.53 0.84 116.25 121.73 1xwa h VAL 60 Ca -0.25 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.06 1xwa h VAL 60 Cb 1.07 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1xwa h VAL 60 CO 1.10 0.00 -0.74 0.44 -1.23 0.00 0.00 177.57 177.14 1xwa h ASP 61 N 0.00 0.00 0.35 4.19 3.32 -1.91 -2.92 116.42 119.45 1xwa h ASP 61 Ca 0.08 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.81 1xwa h ASP 61 Cb 0.45 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1xwa h ASP 61 CO -0.00 0.74 -1.84 -0.62 -1.72 0.00 0.00 179.24 175.80 1xwa n GLU 62 N -3.46 0.67 -2.84 3.56 1.02 -0.07 -4.47 120.64 115.05 1xwa n GLU 62 Ca 0.00 0.27 -0.26 0.00 -0.02 0.00 0.00 57.16 57.15 1xwa n GLU 62 Cb 0.77 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1xwa n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwa h GLU 64 N 2.89 0.26 -0.22 0.00 5.08 -1.73 0.43 114.58 121.28 1xwa h GLU 64 Ca 0.16 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1xwa h GLU 64 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1xwa h GLU 64 CO 0.80 0.17 -0.22 0.38 -1.00 0.00 0.00 179.01 179.14 1xwa h ASP 65 N 0.26 0.39 0.14 1.42 3.04 -1.90 -1.28 116.42 118.49 1xwa h ASP 65 Ca 0.49 -0.12 -0.26 0.00 -3.24 0.00 0.00 57.03 53.91 1xwa h ASP 65 Cb 1.47 -0.11 0.02 0.00 -1.04 0.00 0.00 39.33 39.67 1xwa h ASP 65 CO -0.15 0.62 -1.03 0.40 -2.04 0.00 0.00 179.24 177.05 1xwa h ILE 66 N 0.36 1.33 -0.52 4.15 2.04 -1.33 -1.31 117.51 122.23 1xwa h ILE 66 Ca 0.06 -2.35 0.05 0.00 1.00 0.00 0.00 64.86 63.62 1xwa h ILE 66 Cb 0.59 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1xwa h ILE 66 CO 0.04 0.72 0.25 0.00 0.00 0.00 0.00 178.15 179.16 1xwa h ALA 67 N 0.51 0.66 -0.52 1.87 0.00 -1.06 -0.19 119.26 120.52 1xwa h ALA 67 Ca -0.12 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1xwa h ALA 67 Cb 1.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1xwa h ALA 67 CO 0.19 -0.10 -0.15 1.98 0.00 0.00 0.00 179.25 181.17 1xwa h MET 68 N 0.49 1.03 -0.93 0.00 1.85 -1.23 -1.82 114.93 114.33 1xwa h MET 68 Ca 0.23 -0.40 0.10 0.00 -0.61 0.00 0.00 59.70 59.02 1xwa h MET 68 Cb 0.16 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.06 1xwa h MET 68 CO -0.17 1.09 0.60 1.49 -0.40 0.00 0.00 176.91 179.52 1xwa h GLU 69 N 0.90 0.90 -0.61 0.39 4.81 -0.42 -0.84 114.58 119.70 1xwa h GLU 69 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xwa h GLU 69 Cb 0.73 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1xwa h GLU 69 CO 0.06 0.59 0.00 0.66 -0.73 0.00 0.00 179.01 179.59 1xwa n TYR 70 N -4.55 1.07 -3.89 0.92 4.02 -0.16 -4.95 117.16 109.63 1xwa n TYR 70 Ca 0.16 -0.45 -0.27 0.00 -0.01 0.00 0.00 57.90 57.34 1xwa n TYR 70 Cb 0.32 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 1xwa n TYR 70 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1xwa n ASN 71 N 0.91 -2.66 -4.80 7.72 4.05 -0.32 -4.94 115.26 115.21 1xwa n ASN 71 Ca 0.20 -0.86 -0.35 0.00 0.45 0.00 0.00 54.58 54.02 1xwa n ASN 71 Cb 0.66 -3.68 -0.07 0.00 1.23 0.00 0.00 39.78 37.93 1xwa n ASN 71 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xwa s ILE 72 N -3.54 4.34 0.13 -1.44 -1.09 -0.73 -4.94 121.20 113.93 1xwa s ILE 72 Ca 0.34 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.36 1xwa s ILE 72 Cb -0.17 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1xwa s ILE 72 CO 0.85 0.00 0.00 -1.54 -1.23 0.00 0.00 174.94 173.02 1xwa n SER 73 N 0.19 -0.19 -4.81 3.58 3.41 -1.26 -4.87 113.62 109.66 1xwa n SER 73 Ca 0.03 0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.52 1xwa n SER 73 Cb 0.51 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 1xwa n SER 73 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xwa s SER 74 N -4.21 7.02 -0.03 4.04 0.01 -1.26 -5.08 113.70 114.18 1xwa s SER 74 Ca 0.00 1.66 0.06 0.00 1.31 0.00 0.00 55.95 58.98 1xwa s SER 74 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1xwa s SER 74 CO 0.00 -0.26 -0.23 -0.04 0.41 0.00 0.00 173.24 173.13 1xwa s MET 75 N -2.84 2.04 0.45 12.44 1.00 -1.26 -3.82 119.30 127.30 1xwa s MET 75 Ca 0.57 -0.81 -0.09 0.00 0.00 0.00 0.00 55.69 55.36 1xwa s MET 75 Cb -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 34.83 32.80 1xwa s MET 75 CO 0.16 0.43 0.80 -1.25 0.00 0.00 0.00 175.02 175.16 1xwa s PRO 76 N -0.35 3.70 -0.08 2.03 0.04 -1.26 -4.60 135.00 134.48 1xwa s PRO 76 Ca 0.04 0.43 0.04 0.00 0.04 0.00 0.00 61.00 61.55 1xwa s PRO 76 Cb -0.11 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1xwa s PRO 76 CO 0.01 -0.14 -0.21 0.99 0.04 0.00 0.00 177.00 177.69 1xwa s THR 77 N -2.55 1.80 -0.21 1.26 2.01 -1.07 -0.05 115.64 116.83 1xwa s THR 77 Ca 0.51 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 1xwa s THR 77 Cb -0.10 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1xwa s THR 77 CO 0.37 0.50 0.03 -0.36 -0.69 0.00 0.00 174.62 174.47 1xwa s PHE 78 N 0.35 3.08 -0.14 4.92 0.08 -0.02 -1.65 117.98 124.60 1xwa s PHE 78 Ca -0.16 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.53 1xwa s PHE 78 Cb -0.17 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1xwa s PHE 78 CO 0.07 -0.20 -0.13 0.08 -0.10 0.00 0.00 175.22 174.95 1xwa s VAL 79 N 1.02 3.01 -0.18 -0.44 1.01 -0.55 -1.97 120.40 122.30 1xwa s VAL 79 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1xwa s VAL 79 Cb -0.14 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1xwa s VAL 79 CO 0.02 0.51 -0.05 -0.36 0.00 0.00 0.00 175.10 175.22 1xwa s PHE 80 N 0.56 2.96 0.12 5.22 0.40 0.18 0.13 117.98 127.54 1xwa s PHE 80 Ca -0.08 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1xwa s PHE 80 Cb -0.16 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1xwa s PHE 80 CO 0.04 -0.30 -0.17 -0.51 0.70 0.00 0.00 175.22 174.98 1xwa s LEU 81 N 0.90 2.38 -0.22 -0.37 1.43 -0.08 -0.13 118.68 122.58 1xwa s LEU 81 Ca -0.01 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.24 1xwa s LEU 81 Cb -0.15 -0.69 0.10 0.00 0.03 0.00 0.00 46.19 45.48 1xwa s LEU 81 CO 0.01 -0.07 0.46 -0.75 0.23 0.00 0.00 176.35 176.24 1xwa s LYS 82 N -2.44 0.37 -1.41 1.70 2.20 0.11 -0.41 119.74 119.87 1xwa s LYS 82 Ca 0.09 1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 56.76 1xwa s LYS 82 Cb -0.07 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1xwa s LYS 82 CO 0.04 -0.24 0.59 0.09 -0.36 0.00 0.00 175.35 175.48 1xwa n ASN 83 N 5.35 -5.75 -0.08 1.43 3.02 -1.26 -1.66 115.26 116.30 1xwa n ASN 83 Ca -0.10 -0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.17 1xwa n ASN 83 Cb 0.50 -4.57 -0.00 0.00 -0.61 0.00 0.00 39.78 35.10 1xwa n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwa n GLY 84 N -1.49 0.49 3.29 7.41 0.00 -1.26 -5.02 105.19 108.61 1xwa n GLY 84 Ca -0.10 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1xwa n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwa s VAL 85 N -1.92 2.16 -0.23 1.61 1.01 -0.67 -5.10 120.40 117.26 1xwa s VAL 85 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 1xwa s VAL 85 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1xwa s VAL 85 CO 0.00 0.57 1.01 -0.75 0.00 0.00 0.00 175.10 175.93 1xwa s LYS 86 N -0.23 4.25 -0.17 2.72 2.20 -1.26 0.08 119.74 127.32 1xwa s LYS 86 Ca -0.01 1.29 -0.26 0.00 -0.36 0.00 0.00 55.97 56.63 1xwa s LYS 86 Cb -0.13 -3.64 -0.23 0.00 -1.51 0.00 0.00 37.83 32.31 1xwa s LYS 86 CO 0.03 -0.61 0.55 0.28 -0.36 0.00 0.00 175.35 175.24 1xwa h VAL 87 N 5.45 1.44 -2.56 4.02 2.07 -0.87 -3.48 116.25 122.31 1xwa h VAL 87 Ca -0.20 -2.29 0.14 0.00 0.82 0.00 0.00 66.70 65.18 1xwa h VAL 87 Cb 1.07 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 33.70 1xwa h VAL 87 CO 0.96 0.50 0.41 -0.70 0.02 0.00 0.00 177.57 178.76 1xwa s GLU 88 N -2.28 1.42 -0.12 1.57 2.12 -1.15 -5.02 118.70 115.24 1xwa s GLU 88 Ca -0.23 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.01 1xwa s GLU 88 Cb 0.01 0.47 0.07 0.00 0.26 0.00 0.00 34.13 34.94 1xwa s GLU 88 CO 0.65 -0.65 0.72 -2.00 -0.54 0.00 0.00 175.26 173.44 1xwa s GLU 89 N -3.36 0.96 0.06 4.30 2.12 -1.26 -0.65 118.70 120.86 1xwa s GLU 89 Ca 0.13 0.45 -0.26 0.00 0.36 0.00 0.00 54.97 55.64 1xwa s GLU 89 Cb -0.03 0.46 0.08 0.00 0.26 0.00 0.00 34.13 34.90 1xwa s GLU 89 CO 0.04 -0.26 0.73 -0.59 -0.54 0.00 0.00 175.26 174.65 1xwa s PHE 90 N -0.75 -0.48 0.24 5.30 -0.71 -0.83 -5.03 117.98 115.72 1xwa s PHE 90 Ca -0.07 0.43 0.09 0.00 -1.04 0.00 0.00 56.93 56.34 1xwa s PHE 90 Cb -0.01 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1xwa s PHE 90 CO 0.07 -0.68 -0.03 0.00 -1.34 0.00 0.00 175.22 173.24 1xwa s ALA 91 N -3.01 3.11 0.00 1.99 0.00 -1.26 -0.84 121.76 121.76 1xwa s ALA 91 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1xwa s ALA 91 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1xwa s ALA 91 CO -0.07 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1xwa n GLY 92 N -0.65 2.36 2.89 0.00 0.00 0.93 -4.84 105.19 105.88 1xwa n GLY 92 Ca -0.07 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1xwa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwa n ALA 93 N 1.57 5.21 -3.50 4.61 0.00 -1.26 -4.72 120.51 122.43 1xwa n ALA 93 Ca 0.00 -4.00 -0.42 0.00 0.00 0.00 0.00 53.44 49.01 1xwa n ALA 93 Cb 0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 19.45 16.00 1xwa n ALA 93 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xwa s ASN 94 N 2.71 6.03 0.17 0.00 3.84 -1.26 -4.96 114.94 121.47 1xwa s ASN 94 Ca 0.46 -2.52 -0.15 0.00 0.21 0.00 0.00 52.86 50.85 1xwa s ASN 94 Cb 0.11 -2.06 0.13 0.00 -0.55 0.00 0.00 41.25 38.88 1xwa s ASN 94 CO -0.04 -0.55 1.69 0.00 -2.79 0.00 0.00 177.10 175.41 1xwa h ALA 95 N 7.75 0.39 -0.16 1.71 0.00 -1.98 -0.74 119.26 126.23 1xwa h ALA 95 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xwa h ALA 95 Cb 1.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1xwa h ALA 95 CO 0.78 -0.39 0.06 0.87 0.00 0.00 0.00 179.25 180.56 1xwa h LYS 96 N 0.10 0.13 -0.75 0.00 1.57 -1.99 -1.70 116.57 113.93 1xwa h LYS 96 Ca 0.21 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1xwa h LYS 96 Cb 0.30 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1xwa h LYS 96 CO -0.35 0.09 0.25 -0.09 -0.57 0.00 0.00 179.45 178.78 1xwa h ARG 97 N 0.13 1.15 0.03 3.15 2.43 -1.93 -0.08 114.38 119.27 1xwa h ARG 97 Ca 0.07 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1xwa h ARG 97 Cb 0.04 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1xwa h ARG 97 CO -0.07 0.96 -0.09 1.25 -1.51 0.00 0.00 179.97 180.52 1xwa h LEU 98 N 1.11 -0.24 -0.89 3.80 5.85 -0.89 -1.13 115.31 122.92 1xwa h LEU 98 Ca 0.24 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1xwa h LEU 98 Cb 0.28 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1xwa h LEU 98 CO -0.01 -0.13 0.38 -0.08 -0.34 0.00 0.00 178.44 178.26 1xwa h GLU 99 N -0.17 1.18 -0.14 1.25 4.81 -1.10 -2.42 114.58 118.00 1xwa h GLU 99 Ca 0.02 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1xwa h GLU 99 Cb 0.19 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1xwa h GLU 99 CO -0.07 0.92 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.68 1xwa h ASP 100 N 1.17 -0.07 -0.62 1.04 3.45 -0.59 0.43 116.42 121.22 1xwa h ASP 100 Ca 0.28 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1xwa h ASP 100 Cb 0.14 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1xwa h ASP 100 CO -0.03 -0.02 0.40 0.58 -1.57 0.00 0.00 179.24 178.59 1xwa h VAL 101 N 0.03 1.17 -0.22 -1.35 2.07 -1.03 -0.17 116.25 116.75 1xwa h VAL 101 Ca 0.06 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xwa h VAL 101 Cb 0.08 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1xwa h VAL 101 CO -0.12 0.17 0.09 0.40 0.02 0.00 0.00 177.57 178.14 1xwa h ILE 102 N 0.85 1.16 -0.50 4.57 2.04 -1.10 -1.39 117.51 123.13 1xwa h ILE 102 Ca 0.23 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1xwa h ILE 102 Cb -0.06 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1xwa h ILE 102 CO -0.05 0.16 -0.07 0.11 0.00 0.00 0.00 178.15 178.30 1xwa h LYS 103 N 0.21 0.89 0.00 2.37 1.57 -0.77 -0.92 116.57 119.93 1xwa h LYS 103 Ca 0.07 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1xwa h LYS 103 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1xwa h LYS 103 CO -0.01 0.93 -0.22 0.00 -0.57 0.00 0.00 179.45 179.59 1xwa h ALA 104 N 1.11 1.00 -0.04 3.86 0.00 -0.90 -3.22 119.26 121.06 1xwa h ALA 104 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xwa h ALA 104 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xwa h ALA 104 CO 0.04 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1xwa n ASN 105 N -3.35 2.21 0.00 0.00 4.13 -0.54 -5.08 115.26 112.64 1xwa n ASN 105 Ca 0.00 -2.23 0.10 0.00 1.68 0.00 0.00 54.58 54.14 1xwa n ASN 105 Cb 0.44 -0.12 0.61 0.00 -1.54 0.00 0.00 39.78 39.18 1xwa n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54