#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwc n VAL 2 N 0.00 -0.29 -1.86 1.12 0.31 -1.26 -4.74 118.33 111.60 1xwc n VAL 2 Ca 0.00 -1.72 -0.41 0.00 -0.01 0.00 0.00 64.34 62.20 1xwc n VAL 2 Cb 0.00 0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.30 1xwc n VAL 2 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xwc s TYR 3 N 0.58 2.73 -0.28 3.52 6.04 -1.15 -4.74 117.35 124.04 1xwc s TYR 3 Ca 0.31 1.11 -0.04 0.00 0.04 0.00 0.00 57.07 58.49 1xwc s TYR 3 Cb 0.05 -3.96 0.02 0.00 -1.04 0.00 0.00 41.96 37.03 1xwc s TYR 3 CO -0.11 -2.92 0.01 -1.14 -1.54 0.00 0.00 175.55 169.85 1xwc s GLN 4 N -1.54 2.87 0.82 4.97 0.74 -1.26 -0.42 119.66 125.84 1xwc s GLN 4 Ca 0.55 -0.98 -0.11 0.00 0.05 0.00 0.00 55.36 54.87 1xwc s GLN 4 Cb -0.45 -3.19 0.09 0.00 1.10 0.00 0.00 33.01 30.56 1xwc s GLN 4 CO 0.56 -0.46 1.14 0.14 -0.55 0.00 0.00 175.29 176.12 1xwc s VAL 5 N 1.39 2.55 -0.09 1.34 -7.23 -0.80 -4.94 120.40 112.62 1xwc s VAL 5 Ca 0.00 0.20 0.13 0.00 -1.81 0.00 0.00 61.98 60.50 1xwc s VAL 5 Cb -0.17 -2.48 -0.19 0.00 0.56 0.00 0.00 36.38 34.10 1xwc s VAL 5 CO -0.01 -0.21 0.15 0.29 -0.31 0.00 0.00 175.10 175.00 1xwc n LYS 6 N -3.65 1.30 -3.85 4.82 5.02 -1.26 -4.78 118.16 115.76 1xwc n LYS 6 Ca 0.11 -0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1xwc n LYS 6 Cb 0.52 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 34.20 1xwc n LYS 6 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1xwc s ASP 7 N -4.28 -0.03 0.30 4.39 -4.77 -1.26 -4.84 116.67 106.18 1xwc s ASP 7 Ca -0.06 -0.40 0.06 0.00 -3.30 0.00 0.00 52.55 48.85 1xwc s ASP 7 Cb 0.06 0.33 0.76 0.00 -1.09 0.00 0.00 42.92 42.98 1xwc s ASP 7 CO 0.57 -0.64 1.74 0.50 0.70 0.00 0.00 175.17 178.04 1xwc h LYS 8 N 2.00 0.60 0.38 2.11 1.63 -1.98 0.32 116.57 121.62 1xwc h LYS 8 Ca -0.26 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 1xwc h LYS 8 Cb 1.21 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1xwc h LYS 8 CO 0.32 0.40 -0.18 0.00 -3.45 0.00 0.00 179.45 176.53 1xwc h ALA 9 N 1.68 -0.51 -0.12 5.00 0.00 -1.99 0.26 119.26 123.58 1xwc h ALA 9 Ca 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1xwc h ALA 9 Cb 1.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xwc h ALA 9 CO -0.44 -0.77 0.07 0.22 0.00 0.00 0.00 179.25 178.32 1xwc h ASP 10 N -0.53 0.14 0.09 0.00 3.58 -1.64 -1.28 116.42 116.78 1xwc h ASP 10 Ca -0.05 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1xwc h ASP 10 Cb 0.40 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1xwc h ASP 10 CO 0.08 0.11 -0.04 0.25 -2.88 0.00 0.00 179.24 176.76 1xwc h LEU 11 N 0.16 -0.11 -0.81 2.28 5.85 -0.56 -2.90 115.31 119.22 1xwc h LEU 11 Ca 0.04 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1xwc h LEU 11 Cb 0.00 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1xwc h LEU 11 CO -0.01 0.53 0.46 0.44 -0.34 0.00 0.00 178.44 179.52 1xwc h ASP 12 N -0.84 0.66 -0.50 1.25 3.45 -0.28 -0.28 116.42 119.88 1xwc h ASP 12 Ca -0.01 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 1xwc h ASP 12 Cb 0.58 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.25 1xwc h ASP 12 CO 0.02 0.38 0.19 1.23 -1.57 0.00 0.00 179.24 179.49 1xwc h GLY 13 N 0.78 0.86 1.11 2.75 0.00 -1.33 -2.19 103.07 105.05 1xwc h GLY 13 Ca 0.39 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1xwc h GLY 13 CO -0.24 0.43 -0.06 -1.61 0.00 0.00 0.00 176.54 175.05 1xwc h GLN 14 N 0.79 1.05 -0.41 4.80 5.75 -0.89 -1.08 115.11 125.12 1xwc h GLN 14 Ca 0.18 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 1xwc h GLN 14 Cb 0.20 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1xwc h GLN 14 CO -0.01 1.06 0.03 -0.07 -2.65 0.00 0.00 178.83 177.19 1xwc h LEU 15 N 0.94 0.68 -0.24 -2.39 3.38 -0.83 -0.63 115.31 116.23 1xwc h LEU 15 Ca 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xwc h LEU 15 Cb 0.63 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xwc h LEU 15 CO 0.04 0.80 0.14 0.74 0.09 0.00 0.00 178.44 180.25 1xwc h THR 16 N 0.54 1.11 0.00 0.22 2.02 -1.30 -2.48 112.91 113.02 1xwc h THR 16 Ca 0.12 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1xwc h THR 16 Cb 0.43 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1xwc h THR 16 CO 0.01 0.10 0.00 0.50 0.37 0.00 0.00 175.52 176.51 1xwc h LYS 17 N 0.29 0.00 -0.98 6.66 3.64 -1.08 -3.24 116.57 121.85 1xwc h LYS 17 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1xwc h LYS 17 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xwc h LYS 17 CO -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.17 1xwc n ALA 18 N -2.07 2.20 0.00 5.00 0.00 -0.25 -4.92 120.51 120.47 1xwc n ALA 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xwc n ALA 18 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1xwc n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwc n SER 19 N 0.35 0.00 -1.66 0.00 2.88 -1.23 -1.63 113.62 112.34 1xwc n SER 19 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1xwc n SER 19 Cb 0.28 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.92 1xwc n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xwc n GLY 20 N 0.00 4.85 3.94 0.46 0.00 -1.26 -4.62 105.19 108.56 1xwc n GLY 20 Ca 0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 1xwc n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwc s LYS 21 N -3.32 3.29 -0.04 1.61 1.02 -0.64 -4.90 119.74 116.76 1xwc s LYS 21 Ca 0.51 -0.35 -0.28 0.00 0.02 0.00 0.00 55.97 55.87 1xwc s LYS 21 Cb 0.44 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1xwc s LYS 21 CO 0.04 -0.09 0.91 -1.17 -0.92 0.00 0.00 175.35 174.11 1xwc s LEU 22 N -4.48 4.32 -0.19 3.17 2.96 -0.51 -4.46 118.68 119.49 1xwc s LEU 22 Ca 0.45 1.49 -0.05 0.00 -0.22 0.00 0.00 54.13 55.80 1xwc s LEU 22 Cb -0.10 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1xwc s LEU 22 CO 0.38 -0.26 0.00 -0.69 -1.32 0.00 0.00 176.35 174.46 1xwc s VAL 23 N 1.20 4.05 -0.24 1.68 1.01 0.14 -1.24 120.40 127.00 1xwc s VAL 23 Ca 0.47 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1xwc s VAL 23 Cb -0.19 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1xwc s VAL 23 CO 0.23 0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1xwc s VAL 24 N 0.86 3.40 -0.25 2.92 1.01 -0.15 -0.34 120.40 127.85 1xwc s VAL 24 Ca 0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1xwc s VAL 24 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1xwc s VAL 24 CO 0.02 0.32 0.32 -0.76 0.00 0.00 0.00 175.10 175.01 1xwc s LEU 25 N 1.46 4.08 -0.41 3.92 1.43 0.10 -0.23 118.68 129.03 1xwc s LEU 25 Ca 0.04 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1xwc s LEU 25 Cb -0.15 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1xwc s LEU 25 CO -0.02 -0.10 0.24 -0.62 0.23 0.00 0.00 176.35 176.08 1xwc s ASP 26 N 1.42 5.60 -0.48 2.29 2.15 0.60 -2.01 116.67 126.24 1xwc s ASP 26 Ca 0.14 -1.48 -0.22 0.00 0.43 0.00 0.00 52.55 51.42 1xwc s ASP 26 Cb -0.15 -1.97 0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1xwc s ASP 26 CO 0.09 -0.52 0.75 -0.36 -0.17 0.00 0.00 175.17 174.96 1xwc s PHE 27 N 1.42 2.98 0.42 -5.34 0.08 -0.51 -0.00 117.98 117.01 1xwc s PHE 27 Ca 0.03 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1xwc s PHE 27 Cb -0.23 -3.65 -0.02 0.00 -0.57 0.00 0.00 43.02 38.55 1xwc s PHE 27 CO 0.02 -1.06 0.14 -0.59 -0.10 0.00 0.00 175.22 173.63 1xwc s PHE 28 N 3.18 1.78 -0.06 0.36 -0.12 -0.64 -2.57 117.98 119.91 1xwc s PHE 28 Ca 0.25 -1.32 -0.06 0.00 -0.05 0.00 0.00 56.93 55.75 1xwc s PHE 28 Cb -0.14 -1.15 0.02 0.00 -0.63 0.00 0.00 43.02 41.12 1xwc s PHE 28 CO 0.18 -0.33 0.16 0.00 -0.05 0.00 0.00 175.22 175.19 1xwc s ALA 29 N -3.19 -0.40 0.39 1.99 0.00 -1.26 -1.69 121.76 117.58 1xwc s ALA 29 Ca 0.23 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1xwc s ALA 29 Cb 0.02 -0.25 0.78 0.00 0.00 0.00 0.00 23.12 23.66 1xwc s ALA 29 CO 0.15 -0.08 1.93 1.79 0.00 0.00 0.00 175.76 179.55 1xwc h THR 30 N 4.86 1.16 -0.14 0.00 1.35 -2.00 -2.82 112.91 115.32 1xwc h THR 30 Ca -0.25 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1xwc h THR 30 Cb 1.20 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1xwc h THR 30 CO 0.40 0.22 0.00 -2.67 -0.25 0.00 0.00 175.52 173.22 1xwc n TRP 31 N -4.31 0.19 -3.60 4.73 4.27 -1.26 -4.83 117.44 112.62 1xwc n TRP 31 Ca 0.00 -0.09 -0.39 0.00 -3.89 0.00 0.00 57.50 53.13 1xwc n TRP 31 Cb 0.23 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.07 1xwc n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xwc h GLY 33 N 8.39 -0.42 0.25 0.00 0.00 -1.89 -2.53 103.07 106.86 1xwc h GLY 33 Ca -0.34 0.40 0.22 0.00 0.00 0.00 0.00 47.33 47.61 1xwc h GLY 33 CO 0.60 -0.22 0.61 -2.55 0.00 0.00 0.00 176.54 174.98 1xwc h PRO 34 N -0.38 0.35 -0.58 4.80 0.11 -1.95 -1.55 132.00 132.80 1xwc h PRO 34 Ca 0.10 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1xwc h PRO 34 Cb 0.54 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1xwc h PRO 34 CO -0.37 0.23 -0.05 0.00 -0.21 0.00 0.00 178.00 177.60 1xwc h LYS 36 N 0.94 0.05 -0.24 0.00 1.57 -1.23 -2.85 116.57 114.80 1xwc h LYS 36 Ca 0.16 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1xwc h LYS 36 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xwc h LYS 36 CO 0.04 0.51 -0.11 0.52 -0.57 0.00 0.00 179.45 179.84 1xwc h MET 37 N 0.04 0.50 0.00 3.15 2.86 -1.25 -3.25 114.93 116.98 1xwc h MET 37 Ca -0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1xwc h MET 37 Cb 0.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1xwc h MET 37 CO 0.06 0.76 0.00 0.97 1.06 0.00 0.00 176.91 179.76 1xwc h ILE 38 N 0.23 0.00 -0.88 -1.22 6.09 -1.46 -3.36 117.51 116.91 1xwc h ILE 38 Ca 0.06 -0.65 0.11 0.00 -1.37 0.00 0.00 64.86 63.00 1xwc h ILE 38 Cb 0.61 1.62 -0.06 0.00 0.47 0.00 0.00 36.82 39.45 1xwc h ILE 38 CO 0.03 0.00 0.57 0.77 -3.07 0.00 0.00 178.15 176.45 1xwc h SER 39 N 0.00 0.76 -0.74 2.19 4.64 -1.54 -2.22 113.55 116.64 1xwc h SER 39 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1xwc h SER 39 Cb 0.77 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 1xwc h SER 39 CO 0.00 0.43 0.44 -0.65 -0.87 0.00 0.00 176.83 176.18 1xwc h PRO 40 N 0.83 1.00 -0.39 4.77 0.11 -1.79 -2.03 132.00 134.51 1xwc h PRO 40 Ca 0.41 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 1xwc h PRO 40 Cb 0.47 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1xwc h PRO 40 CO -0.18 0.71 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.07 1xwc h LYS 41 N 1.01 0.63 -0.22 1.05 1.63 -1.68 -2.09 116.57 116.89 1xwc h LYS 41 Ca 0.26 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1xwc h LYS 41 Cb -0.03 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1xwc h LYS 41 CO -0.05 0.68 0.08 1.25 -3.45 0.00 0.00 179.45 177.96 1xwc h LEU 42 N 0.59 0.31 -0.92 5.20 5.85 -0.93 -1.12 115.31 124.30 1xwc h LEU 42 Ca 0.12 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xwc h LEU 42 Cb 0.43 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1xwc h LEU 42 CO 0.02 0.41 0.35 0.58 -0.34 0.00 0.00 178.44 179.47 1xwc h VAL 43 N 0.19 1.25 0.43 1.05 2.07 -1.19 0.73 116.25 120.79 1xwc h VAL 43 Ca 0.07 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1xwc h VAL 43 Cb 0.21 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1xwc h VAL 43 CO -0.00 0.31 -0.21 -0.08 0.02 0.00 0.00 177.57 177.61 1xwc h GLU 44 N 1.12 -0.55 -0.29 1.57 4.81 -1.19 -1.17 114.58 118.87 1xwc h GLU 44 Ca 0.27 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1xwc h GLU 44 Cb 0.15 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1xwc h GLU 44 CO -0.03 -0.30 0.16 -0.07 -0.73 0.00 0.00 179.01 178.04 1xwc h LEU 45 N -0.71 0.26 -0.80 1.64 3.38 -1.09 0.71 115.31 118.71 1xwc h LEU 45 Ca -0.06 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1xwc h LEU 45 Cb 0.51 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1xwc h LEU 45 CO 0.10 0.19 0.40 -1.28 0.09 0.00 0.00 178.44 177.94 1xwc h SER 46 N 0.34 0.48 -0.13 -0.43 0.87 -0.80 -0.42 113.55 113.45 1xwc h SER 46 Ca 0.11 0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 1xwc h SER 46 Cb 0.00 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1xwc h SER 46 CO -0.06 0.22 -0.58 0.74 -0.53 0.00 0.00 176.83 176.62 1xwc h THR 47 N 0.60 1.33 -0.43 2.23 2.02 -0.70 -2.66 112.91 115.30 1xwc h THR 47 Ca 0.43 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1xwc h THR 47 Cb 0.57 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1xwc h THR 47 CO -0.34 0.57 -0.02 -0.61 0.37 0.00 0.00 175.52 175.49 1xwc h GLN 48 N 0.27 0.70 -0.81 6.66 4.15 -0.25 -3.08 115.11 122.75 1xwc h GLN 48 Ca -0.04 -0.18 -0.57 0.00 0.77 0.00 0.00 58.65 58.63 1xwc h GLN 48 Cb 1.22 -0.08 -0.37 0.00 0.21 0.00 0.00 27.48 28.46 1xwc h GLN 48 CO 0.12 0.73 -0.21 1.19 -1.93 0.00 0.00 178.83 178.73 1xwc n PHE 49 N -4.22 2.82 0.27 3.99 3.01 -0.22 -4.85 117.46 118.25 1xwc n PHE 49 Ca 0.02 -2.46 0.09 0.00 1.01 0.00 0.00 57.45 56.11 1xwc n PHE 49 Cb 0.30 -0.72 0.49 0.00 -0.01 0.00 0.00 39.48 39.53 1xwc n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xwc h ALA 50 N 2.05 1.41 0.00 4.37 0.00 -1.38 -1.71 119.26 124.01 1xwc h ALA 50 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1xwc h ALA 50 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xwc h ALA 50 CO 1.02 -0.41 -0.80 -0.25 0.00 0.00 0.00 179.25 178.81 1xwc n ASP 51 N -2.49 0.94 -0.12 0.00 8.00 -1.26 -4.60 116.55 117.03 1xwc n ASP 51 Ca -0.01 -0.60 0.03 0.00 0.71 0.00 0.00 54.79 54.92 1xwc n ASP 51 Cb 0.49 1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 42.71 1xwc n ASP 51 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xwc n ASN 52 N -1.43 0.84 -3.93 -2.24 3.02 -0.70 -4.96 115.26 105.85 1xwc n ASN 52 Ca 0.01 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 1xwc n ASN 52 Cb 0.22 0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 39.81 1xwc n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xwc s VAL 53 N -1.08 0.15 -0.07 2.41 1.01 -0.82 -1.42 120.40 120.57 1xwc s VAL 53 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1xwc s VAL 53 Cb 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1xwc s VAL 53 CO 0.16 -0.12 -0.12 0.54 0.00 0.00 0.00 175.10 175.56 1xwc s VAL 54 N -0.48 1.17 -0.21 2.92 0.11 -0.38 -4.67 120.40 118.87 1xwc s VAL 54 Ca -0.04 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 1xwc s VAL 54 Cb -0.04 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1xwc s VAL 54 CO -0.00 0.36 0.01 -0.69 -3.33 0.00 0.00 175.10 171.45 1xwc s VAL 55 N 0.75 4.00 -0.29 2.04 1.01 -1.26 -0.98 120.40 125.66 1xwc s VAL 55 Ca -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1xwc s VAL 55 Cb -0.16 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1xwc s VAL 55 CO 0.03 0.42 0.00 -0.76 0.00 0.00 0.00 175.10 174.79 1xwc s LEU 56 N 1.08 3.73 -0.02 3.92 2.01 0.68 -2.94 118.68 127.15 1xwc s LEU 56 Ca 0.02 -1.07 -0.26 0.00 0.01 0.00 0.00 54.13 52.83 1xwc s LEU 56 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 46.19 44.28 1xwc s LEU 56 CO 0.02 -0.22 0.82 -0.54 1.01 0.00 0.00 176.35 177.43 1xwc s LYS 57 N 1.32 4.50 -0.25 1.70 1.02 0.44 -0.29 119.74 128.18 1xwc s LYS 57 Ca -0.02 1.12 0.02 0.00 0.02 0.00 0.00 55.97 57.10 1xwc s LYS 57 Cb -0.18 -3.44 0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1xwc s LYS 57 CO -0.01 0.06 -0.08 0.08 -0.92 0.00 0.00 175.35 174.48 1xwc s VAL 58 N 0.74 1.89 -0.58 3.17 1.01 0.99 -1.90 120.40 125.72 1xwc s VAL 58 Ca 0.43 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1xwc s VAL 58 Cb -0.19 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1xwc s VAL 58 CO 0.23 -0.08 1.25 -0.62 0.00 0.00 0.00 175.10 175.87 1xwc s ASP 59 N 1.22 6.36 0.57 3.32 -1.08 -1.26 -1.62 116.67 124.19 1xwc s ASP 59 Ca -0.07 0.12 0.27 0.00 -0.52 0.00 0.00 52.55 52.35 1xwc s ASP 59 Cb -0.19 -2.55 1.56 0.00 -1.46 0.00 0.00 42.92 40.27 1xwc s ASP 59 CO -0.06 -1.55 2.06 -0.37 0.52 0.00 0.00 175.17 175.78 1xwc h VAL 60 N 6.20 0.55 -0.25 1.11 -1.51 -1.64 0.02 116.25 120.74 1xwc h VAL 60 Ca -0.26 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.08 1xwc h VAL 60 Cb 1.06 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 1xwc h VAL 60 CO 1.19 0.00 -0.39 0.44 -1.23 0.00 0.00 177.57 177.58 1xwc h ASP 61 N 0.00 0.60 0.43 4.19 5.19 -1.90 -3.03 116.42 121.89 1xwc h ASP 61 Ca 0.12 -0.26 -0.31 0.00 -0.62 0.00 0.00 57.03 55.96 1xwc h ASP 61 Cb 0.62 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1xwc h ASP 61 CO -0.00 0.93 -1.66 -0.33 -3.12 0.00 0.00 179.24 175.06 1xwc h GLU 62 N 0.47 0.16 -2.06 3.56 5.08 -1.55 -3.39 114.58 116.84 1xwc h GLU 62 Ca 0.04 -0.27 -0.68 0.00 -1.00 0.00 0.00 59.36 57.46 1xwc h GLU 62 Cb 0.89 0.10 -0.36 0.00 0.50 0.00 0.00 28.75 29.88 1xwc h GLU 62 CO 0.08 0.93 0.04 0.00 -1.00 0.00 0.00 179.01 179.06 1xwc h GLU 64 N 3.21 0.48 -0.63 0.00 5.08 -1.74 -0.06 114.58 120.93 1xwc h GLU 64 Ca 0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1xwc h GLU 64 Cb 0.47 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1xwc h GLU 64 CO 1.02 0.32 0.31 0.38 -1.00 0.00 0.00 179.01 180.03 1xwc h ASP 65 N 0.50 0.80 -0.02 1.42 -0.00 -1.89 0.18 116.42 117.40 1xwc h ASP 65 Ca 0.58 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.03 57.47 1xwc h ASP 65 Cb 1.08 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.21 1xwc h ASP 65 CO -0.49 0.68 -0.24 0.40 -0.00 0.00 0.00 179.24 179.59 1xwc h ILE 66 N 0.89 1.50 -0.86 4.15 2.04 -1.46 -1.00 117.51 122.78 1xwc h ILE 66 Ca 0.22 -1.82 0.08 0.00 1.00 0.00 0.00 64.86 64.34 1xwc h ILE 66 Cb 0.09 2.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 1xwc h ILE 66 CO -0.03 0.50 0.56 0.00 0.00 0.00 0.00 178.15 179.18 1xwc h ALA 67 N 0.32 1.61 -0.25 1.87 0.00 -1.04 -0.64 119.26 121.13 1xwc h ALA 67 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1xwc h ALA 67 Cb 0.95 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xwc h ALA 67 CO 0.05 0.25 -0.61 1.98 0.00 0.00 0.00 179.25 180.92 1xwc h MET 68 N 0.91 0.84 -0.58 0.00 -1.53 -0.65 -0.94 114.93 112.99 1xwc h MET 68 Ca 0.38 -0.57 -0.05 0.00 -3.44 0.00 0.00 59.70 56.02 1xwc h MET 68 Cb 0.29 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.40 1xwc h MET 68 CO -0.15 1.20 0.16 1.49 0.14 0.00 0.00 176.91 179.76 1xwc h GLU 69 N 0.63 0.88 -0.14 0.39 4.81 0.06 -2.01 114.58 119.19 1xwc h GLU 69 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1xwc h GLU 69 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1xwc h GLU 69 CO 0.13 0.78 0.00 0.66 -0.73 0.00 0.00 179.01 179.85 1xwc n TYR 70 N -4.28 0.18 -3.63 0.92 4.02 -0.37 -4.96 117.16 109.05 1xwc n TYR 70 Ca 0.04 -0.09 -0.27 0.00 -0.01 0.00 0.00 57.90 57.58 1xwc n TYR 70 Cb 0.22 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.58 1xwc n TYR 70 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1xwc n ASN 71 N 0.32 -4.64 -4.75 7.72 4.05 -0.76 -4.95 115.26 112.26 1xwc n ASN 71 Ca 0.17 -0.94 -0.40 0.00 0.45 0.00 0.00 54.58 53.86 1xwc n ASN 71 Cb 0.34 -3.77 -0.05 0.00 1.23 0.00 0.00 39.78 37.53 1xwc n ASN 71 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xwc s ILE 72 N -3.51 4.55 0.00 -1.44 -1.09 -0.42 -4.92 121.20 114.37 1xwc s ILE 72 Ca 0.38 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 1xwc s ILE 72 Cb -0.12 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1xwc s ILE 72 CO 0.84 0.39 0.00 -1.54 -1.23 0.00 0.00 174.94 173.40 1xwc n SER 73 N 2.46 0.00 -3.99 3.58 3.41 -1.26 -4.92 113.62 112.90 1xwc n SER 73 Ca -0.02 -0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 57.87 1xwc n SER 73 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1xwc n SER 73 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xwc s SER 74 N 0.00 0.78 -0.11 4.04 0.01 -1.26 -5.15 113.70 112.02 1xwc s SER 74 Ca 0.00 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1xwc s SER 74 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 1xwc s SER 74 CO 0.00 0.05 -0.18 -0.04 0.41 0.00 0.00 173.24 173.48 1xwc s MET 75 N -0.33 3.14 0.45 12.44 1.00 -1.26 -3.53 119.30 131.21 1xwc s MET 75 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 55.69 54.92 1xwc s MET 75 Cb -0.03 -2.47 -0.02 0.00 0.00 0.00 0.00 34.83 32.31 1xwc s MET 75 CO -0.00 0.25 0.70 -1.25 0.00 0.00 0.00 175.02 174.72 1xwc s PRO 76 N 0.21 3.24 -0.04 2.03 0.04 -1.26 -4.63 135.00 134.58 1xwc s PRO 76 Ca -0.11 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 60.73 1xwc s PRO 76 Cb -0.16 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1xwc s PRO 76 CO 0.06 -0.22 -0.15 0.99 0.04 0.00 0.00 177.00 177.71 1xwc s THR 77 N -2.60 1.29 -0.15 1.26 2.01 -1.06 0.11 115.64 116.49 1xwc s THR 77 Ca 0.47 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1xwc s THR 77 Cb -0.10 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1xwc s THR 77 CO 0.40 0.38 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.19 1xwc s PHE 78 N 0.16 2.76 -0.14 4.92 0.08 -0.41 -1.43 117.98 123.92 1xwc s PHE 78 Ca -0.05 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1xwc s PHE 78 Cb -0.12 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1xwc s PHE 78 CO 0.02 -0.43 -0.14 0.08 -0.10 0.00 0.00 175.22 174.65 1xwc s VAL 79 N 0.70 2.89 -0.22 -0.44 1.01 -0.85 -2.17 120.40 121.31 1xwc s VAL 79 Ca -0.07 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1xwc s VAL 79 Cb -0.16 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1xwc s VAL 79 CO 0.02 0.52 0.03 -0.36 0.00 0.00 0.00 175.10 175.31 1xwc s PHE 80 N 0.55 3.08 -0.07 5.22 0.40 0.13 -0.72 117.98 126.57 1xwc s PHE 80 Ca -0.09 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1xwc s PHE 80 Cb -0.16 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.23 1xwc s PHE 80 CO 0.04 -0.25 -0.19 -0.51 0.70 0.00 0.00 175.22 175.00 1xwc s LEU 81 N 1.19 1.93 -0.08 -0.37 1.43 0.54 -0.80 118.68 122.52 1xwc s LEU 81 Ca 0.04 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1xwc s LEU 81 Cb -0.14 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 44.95 1xwc s LEU 81 CO 0.02 0.13 0.02 -0.75 0.23 0.00 0.00 176.35 176.00 1xwc s LYS 82 N 0.32 0.47 -1.32 1.70 2.20 -0.19 0.29 119.74 123.21 1xwc s LYS 82 Ca -0.13 0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1xwc s LYS 82 Cb -0.16 -1.01 0.01 0.00 -1.51 0.00 0.00 37.83 35.16 1xwc s LYS 82 CO 0.06 -0.35 0.75 0.09 -0.36 0.00 0.00 175.35 175.54 1xwc n ASN 83 N 5.17 -1.61 0.00 1.43 3.02 -1.26 -1.83 115.26 120.18 1xwc n ASN 83 Ca -0.06 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1xwc n ASN 83 Cb 0.50 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1xwc n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwc n GLY 84 N -1.56 2.24 3.81 7.41 0.00 -1.26 -4.98 105.19 110.85 1xwc n GLY 84 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1xwc n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwc s VAL 85 N -2.15 5.25 -0.74 1.61 1.01 -0.76 -5.03 120.40 119.59 1xwc s VAL 85 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1xwc s VAL 85 Cb 0.00 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1xwc s VAL 85 CO 0.00 0.53 1.19 -0.75 0.00 0.00 0.00 175.10 176.07 1xwc s LYS 86 N -0.58 3.21 0.31 2.72 2.20 -1.26 -1.02 119.74 125.33 1xwc s LYS 86 Ca 0.19 -0.55 0.16 0.00 -0.36 0.00 0.00 55.97 55.41 1xwc s LYS 86 Cb -0.14 -4.32 0.39 0.00 -1.51 0.00 0.00 37.83 32.25 1xwc s LYS 86 CO 0.08 -2.04 1.59 -0.39 -0.36 0.00 0.00 175.35 174.23 1xwc h VAL 87 N 6.07 0.99 -2.58 4.02 -1.51 -1.30 -3.48 116.25 118.46 1xwc h VAL 87 Ca -0.23 -1.96 0.09 0.00 -1.23 0.00 0.00 66.70 63.37 1xwc h VAL 87 Cb 1.05 2.18 -0.11 0.00 -2.13 0.00 0.00 31.29 32.28 1xwc h VAL 87 CO 1.26 0.48 0.38 -0.70 -1.23 0.00 0.00 177.57 177.76 1xwc s GLU 88 N -3.32 1.16 -0.28 5.19 2.56 -1.19 -5.01 118.70 117.81 1xwc s GLU 88 Ca 0.01 -0.52 -0.22 0.00 0.00 0.00 0.00 54.97 54.24 1xwc s GLU 88 Cb 0.10 0.47 0.12 0.00 2.00 0.00 0.00 34.13 36.82 1xwc s GLU 88 CO 0.72 -0.52 0.97 -2.00 -0.56 0.00 0.00 175.26 173.87 1xwc s GLU 89 N -3.43 0.52 -0.10 4.30 2.12 -1.26 -0.70 118.70 120.16 1xwc s GLU 89 Ca 0.07 0.69 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 1xwc s GLU 89 Cb -0.02 0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.69 1xwc s GLU 89 CO -0.05 -0.07 0.86 -0.59 -0.54 0.00 0.00 175.26 174.86 1xwc s PHE 90 N 0.61 -0.48 0.18 5.30 -0.71 -0.92 -5.02 117.98 116.93 1xwc s PHE 90 Ca -0.01 0.78 0.04 0.00 -1.04 0.00 0.00 56.93 56.71 1xwc s PHE 90 Cb -0.05 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1xwc s PHE 90 CO -0.09 -0.47 0.22 0.00 -1.34 0.00 0.00 175.22 173.54 1xwc s ALA 91 N -1.37 3.75 0.00 1.99 0.00 -1.26 -1.29 121.76 123.58 1xwc s ALA 91 Ca -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1xwc s ALA 91 Cb -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1xwc s ALA 91 CO 0.04 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1xwc n GLY 92 N -0.67 2.52 2.59 0.00 0.00 0.29 -4.84 105.19 105.08 1xwc n GLY 92 Ca -0.08 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1xwc n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwc n ALA 93 N 1.26 6.27 -3.31 4.61 0.00 -1.26 -4.75 120.51 123.34 1xwc n ALA 93 Ca 0.00 -3.82 -0.46 0.00 0.00 0.00 0.00 53.44 49.16 1xwc n ALA 93 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 19.45 16.05 1xwc n ALA 93 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xwc s ASN 94 N 2.47 6.90 0.32 0.00 3.84 -1.26 -4.90 114.94 122.30 1xwc s ASN 94 Ca 0.54 -2.89 0.09 0.00 0.21 0.00 0.00 52.86 50.81 1xwc s ASN 94 Cb 0.15 -2.22 0.85 0.00 -0.55 0.00 0.00 41.25 39.48 1xwc s ASN 94 CO -0.07 -0.53 1.74 0.00 -2.79 0.00 0.00 177.10 175.45 1xwc h ALA 95 N 7.54 1.77 -0.35 1.71 0.00 -1.97 -1.41 119.26 126.57 1xwc h ALA 95 Ca 0.13 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1xwc h ALA 95 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xwc h ALA 95 CO 0.84 -0.22 -0.06 0.87 0.00 0.00 0.00 179.25 180.69 1xwc h LYS 96 N 0.63 0.65 -0.06 0.00 1.57 -2.00 -2.39 116.57 114.96 1xwc h LYS 96 Ca 0.63 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 1xwc h LYS 96 Cb 1.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1xwc h LYS 96 CO -0.45 0.80 -0.46 -0.09 -0.57 0.00 0.00 179.45 178.69 1xwc h ARG 97 N 0.44 0.14 -0.50 3.15 2.43 -1.78 -1.97 114.38 116.28 1xwc h ARG 97 Ca 0.09 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1xwc h ARG 97 Cb 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xwc h ARG 97 CO 0.03 0.57 0.17 1.25 -1.51 0.00 0.00 179.97 180.48 1xwc h LEU 98 N 0.12 0.71 -0.56 3.80 5.85 -1.17 -1.34 115.31 122.72 1xwc h LEU 98 Ca 0.01 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 1xwc h LEU 98 Cb 0.85 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1xwc h LEU 98 CO 0.07 0.71 -0.64 -0.08 -0.34 0.00 0.00 178.44 178.16 1xwc h GLU 99 N 0.67 0.32 -0.47 1.25 4.81 -1.26 -2.50 114.58 117.40 1xwc h GLU 99 Ca 0.16 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1xwc h GLU 99 Cb 0.24 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1xwc h GLU 99 CO -0.01 0.85 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.51 1xwc h ASP 100 N 0.23 0.96 -0.43 1.04 3.45 -1.16 -1.62 116.42 118.87 1xwc h ASP 100 Ca -0.01 -0.38 -0.08 0.00 0.43 0.00 0.00 57.03 56.98 1xwc h ASP 100 Cb 1.17 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.66 1xwc h ASP 100 CO 0.10 1.12 -0.06 0.58 -1.57 0.00 0.00 179.24 179.42 1xwc h VAL 101 N 0.78 1.27 -0.37 -1.35 2.07 -1.23 -0.69 116.25 116.73 1xwc h VAL 101 Ca 0.11 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1xwc h VAL 101 Cb 0.73 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1xwc h VAL 101 CO 0.06 0.39 0.17 0.40 0.02 0.00 0.00 177.57 178.60 1xwc h ILE 102 N 0.64 1.18 0.00 4.57 2.04 -1.36 -2.41 117.51 122.17 1xwc h ILE 102 Ca 0.12 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1xwc h ILE 102 Cb 0.58 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1xwc h ILE 102 CO 0.03 0.19 -0.14 0.11 0.00 0.00 0.00 178.15 178.34 1xwc h LYS 103 N 0.46 0.00 0.00 2.37 1.57 -1.23 -2.89 116.57 116.85 1xwc h LYS 103 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xwc h LYS 103 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xwc h LYS 103 CO -0.01 0.14 -0.28 0.00 -0.57 0.00 0.00 179.45 178.73 1xwc n ALA 104 N -2.18 2.62 -0.46 3.86 0.00 -0.27 -4.14 120.51 119.93 1xwc n ALA 104 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1xwc n ALA 104 Cb 0.38 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.53 1xwc n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xwc n ASN 105 N -2.08 1.74 -0.75 0.00 4.13 -0.94 -5.07 115.26 112.28 1xwc n ASN 105 Ca 0.05 -2.13 0.13 0.00 1.68 0.00 0.00 54.58 54.31 1xwc n ASN 105 Cb 0.42 -0.11 0.28 0.00 -1.54 0.00 0.00 39.78 38.84 1xwc n ASN 105 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84