#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqg n GLY -1 N 0.00 0.08 0.11 1.69 0.00 -1.26 -3.91 105.19 101.90 1xqg n GLY -1 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xqg n GLY -1 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xqg h SER 0 N 0.00 0.12 -0.99 1.61 0.87 -1.97 -3.20 113.55 109.99 1xqg h SER 0 Ca 0.00 -0.10 0.22 0.00 -1.23 0.00 0.00 61.79 60.68 1xqg h SER 0 Cb 0.00 -0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 61.83 1xqg h SER 0 CO 0.00 0.91 0.62 0.24 -0.53 0.00 0.00 176.83 178.07 1xqg h MET 1 N 0.05 0.56 0.00 2.24 2.86 -1.92 0.21 114.93 118.94 1xqg h MET 1 Ca -0.03 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1xqg h MET 1 Cb 1.47 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 1xqg h MET 1 CO 0.12 0.37 -0.84 0.22 1.06 0.00 0.00 176.91 177.84 1xqg h ASP 2 N 0.58 0.00 1.82 1.22 3.58 -1.67 -3.06 116.42 118.89 1xqg h ASP 2 Ca 0.57 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 58.02 1xqg h ASP 2 Cb 1.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 1xqg h ASP 2 CO -0.32 0.84 -0.18 0.00 -2.88 0.00 0.00 179.24 176.69 1xqg h ALA 3 N 1.16 0.91 0.10 -0.78 0.00 -0.78 -3.21 119.26 116.66 1xqg h ALA 3 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1xqg h ALA 3 Cb 1.56 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.36 1xqg h ALA 3 CO 0.11 0.01 -0.60 1.25 0.00 0.00 0.00 179.25 180.02 1xqg h LEU 4 N 0.00 0.35 -1.41 0.00 5.85 -0.79 -3.05 115.31 116.27 1xqg h LEU 4 Ca -0.00 -0.96 0.01 0.00 0.84 0.00 0.00 57.88 57.77 1xqg h LEU 4 Cb 1.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1xqg h LEU 4 CO 0.00 1.28 0.41 0.06 -0.34 0.00 0.00 178.44 179.85 1xqg h GLN 5 N -0.53 0.79 -0.62 1.25 -0.00 -1.63 0.54 115.11 114.91 1xqg h GLN 5 Ca -0.10 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.46 1xqg h GLN 5 Cb 1.47 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.48 28.74 1xqg h GLN 5 CO 0.11 0.52 0.24 -0.07 -0.00 0.00 0.00 178.83 179.63 1xqg h LEU 6 N 0.81 0.86 0.11 0.06 3.38 -1.62 0.19 115.31 119.10 1xqg h LEU 6 Ca 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xqg h LEU 6 Cb -0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1xqg h LEU 6 CO -0.05 0.80 -0.05 0.00 0.09 0.00 0.00 178.44 179.22 1xqg h ALA 7 N 1.09 -0.14 -0.72 1.53 0.00 -1.05 -1.36 119.26 118.60 1xqg h ALA 7 Ca 0.20 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1xqg h ALA 7 Cb 0.21 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1xqg h ALA 7 CO -0.02 -0.40 0.35 -0.91 0.00 0.00 0.00 179.25 178.28 1xqg h ASN 8 N -0.51 0.44 0.38 0.00 -0.26 0.17 -0.39 115.58 115.41 1xqg h ASN 8 Ca -0.01 0.07 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1xqg h ASN 8 Cb 0.42 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1xqg h ASN 8 CO 0.02 0.24 -0.55 0.28 -1.06 0.00 0.00 177.43 176.36 1xqg h SER 9 N 0.58 0.20 -0.07 5.81 0.02 -0.61 -1.35 113.55 118.13 1xqg h SER 9 Ca 0.36 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1xqg h SER 9 Cb 0.42 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xqg h SER 9 CO -0.29 0.71 -0.02 0.00 -1.14 0.00 0.00 176.83 176.10 1xqg h ALA 10 N 1.29 0.10 -0.71 3.77 0.00 -0.28 -2.46 119.26 120.97 1xqg h ALA 10 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xqg h ALA 10 Cb 1.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1xqg h ALA 10 CO 0.08 -0.18 0.43 0.35 0.00 0.00 0.00 179.25 179.93 1xqg h PHE 11 N -0.19 0.80 -0.25 0.00 3.57 -1.05 -1.15 116.94 118.67 1xqg h PHE 11 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1xqg h PHE 11 Cb 0.41 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1xqg h PHE 11 CO 0.05 0.43 -0.21 0.00 -2.23 0.00 0.00 178.31 176.35 1xqg h ALA 12 N 1.32 -0.06 -0.11 2.41 0.00 -1.13 0.64 119.26 122.32 1xqg h ALA 12 Ca 0.29 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1xqg h ALA 12 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xqg h ALA 12 CO -0.13 -0.63 -0.07 0.28 0.00 0.00 0.00 179.25 178.70 1xqg h VAL 13 N -0.21 0.78 -0.32 0.00 2.07 -0.89 0.25 116.25 117.93 1xqg h VAL 13 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1xqg h VAL 13 Cb 0.42 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1xqg h VAL 13 CO -0.38 0.00 -0.33 0.44 0.02 0.00 0.00 177.57 177.32 1xqg h ASP 14 N -0.07 -1.08 0.01 0.57 3.32 -0.39 -0.51 116.42 118.26 1xqg h ASP 14 Ca 0.07 0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1xqg h ASP 14 Cb 0.17 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xqg h ASP 14 CO -0.16 -0.34 -0.23 0.25 -1.72 0.00 0.00 179.24 177.05 1xqg h LEU 15 N -0.30 0.36 0.35 1.55 5.85 -0.53 -2.47 115.31 120.13 1xqg h LEU 15 Ca 0.15 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xqg h LEU 15 Cb 0.54 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1xqg h LEU 15 CO -0.49 0.60 -0.17 0.15 -0.34 0.00 0.00 178.44 178.20 1xqg h PHE 16 N 0.33 -0.43 -0.81 1.25 3.57 0.49 0.53 116.94 121.87 1xqg h PHE 16 Ca 0.05 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.71 1xqg h PHE 16 Cb 0.59 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 1xqg h PHE 16 CO 0.01 -0.19 0.54 0.87 -2.23 0.00 0.00 178.31 177.31 1xqg h LYS 17 N -0.60 0.41 0.20 1.11 1.57 -1.01 0.21 116.57 118.47 1xqg h LYS 17 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xqg h LYS 17 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xqg h LYS 17 CO 0.08 0.27 -0.10 0.37 -0.57 0.00 0.00 179.45 179.50 1xqg h GLN 18 N 0.42 -0.26 -0.10 3.15 5.75 -0.99 -3.04 115.11 120.04 1xqg h GLN 18 Ca 0.41 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1xqg h GLN 18 Cb 0.95 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1xqg h GLN 18 CO -0.14 0.11 0.06 -0.07 -2.65 0.00 0.00 178.83 176.14 1xqg h LEU 19 N -0.71 0.12 -1.21 -2.39 3.38 0.18 -2.63 115.31 112.03 1xqg h LEU 19 Ca -0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1xqg h LEU 19 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xqg h LEU 19 CO 0.05 0.09 -0.35 -1.28 0.09 0.00 0.00 178.44 177.03 1xqg h SER 20 N 0.14 0.08 0.49 -0.43 0.87 -0.60 -3.10 113.55 111.00 1xqg h SER 20 Ca 0.04 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 1xqg h SER 20 Cb -0.01 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1xqg h SER 20 CO -0.01 0.43 -1.01 -0.33 -0.53 0.00 0.00 176.83 175.38 1xqg h GLU 21 N 0.07 0.31 -0.67 2.24 5.08 -1.36 -1.89 114.58 118.36 1xqg h GLU 21 Ca 0.01 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1xqg h GLU 21 Cb 0.65 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1xqg h GLU 21 CO 0.05 1.10 0.34 0.87 -1.00 0.00 0.00 179.01 180.36 1xqg h LYS 22 N 0.15 0.96 -2.14 2.33 1.79 -1.54 -3.29 116.57 114.83 1xqg h LYS 22 Ca -0.08 -0.14 -0.58 0.00 -2.18 0.00 0.00 60.65 57.67 1xqg h LYS 22 Cb 1.67 -0.18 -0.41 0.00 -1.58 0.00 0.00 32.23 31.74 1xqg h LYS 22 CO 0.17 0.75 -0.79 0.39 -1.08 0.00 0.00 179.45 178.89 1xqg n GLU 23 N -4.47 2.01 0.00 3.15 -0.58 -1.20 -4.97 120.64 114.58 1xqg n GLU 23 Ca 0.05 -4.19 0.00 0.00 -0.42 0.00 0.00 57.16 52.60 1xqg n GLU 23 Cb 0.12 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1xqg n GLU 23 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1xqg n PRO 24 N 0.78 0.57 0.00 3.49 -0.04 -0.71 -2.74 135.00 136.35 1xqg n PRO 24 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xqg n PRO 24 Cb 0.46 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1xqg n PRO 24 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xqg n LEU 25 N 0.50 0.00 -4.74 1.53 4.77 -1.26 -4.93 117.00 112.88 1xqg n LEU 25 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1xqg n LEU 25 Cb 0.22 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1xqg n LEU 25 CO 0.00 0.07 -0.18 -0.83 -1.33 0.00 0.00 177.39 175.13 1xqg s GLY 26 N 0.00 2.08 0.99 -0.72 0.00 -1.11 -4.70 107.32 103.86 1xqg s GLY 26 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 1xqg s GLY 26 CO 0.00 -1.81 1.09 -1.31 0.00 0.00 0.00 173.10 171.07 1xqg s ASN 27 N -3.88 2.62 0.08 1.64 0.01 -1.26 -4.62 114.94 109.53 1xqg s ASN 27 Ca 0.39 1.33 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 1xqg s ASN 27 Cb -0.01 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 1xqg s ASN 27 CO 0.23 -3.15 -0.09 -0.69 -1.51 0.00 0.00 177.10 171.88 1xqg s VAL 28 N -2.88 0.80 -0.29 1.60 1.01 -0.24 -4.91 120.40 115.48 1xqg s VAL 28 Ca 0.65 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1xqg s VAL 28 Cb -0.19 -1.15 0.16 0.00 0.00 0.00 0.00 36.38 35.19 1xqg s VAL 28 CO 0.58 -0.52 1.03 -0.22 0.00 0.00 0.00 175.10 175.97 1xqg s LEU 29 N -2.20 -0.42 0.04 3.92 2.96 -1.26 -1.70 118.68 120.02 1xqg s LEU 29 Ca 0.01 0.68 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 1xqg s LEU 29 Cb -0.04 1.62 0.09 0.00 0.50 0.00 0.00 46.19 48.36 1xqg s LEU 29 CO -0.00 -0.11 0.99 0.72 -1.32 0.00 0.00 176.35 176.63 1xqg s PHE 30 N 1.28 -0.21 -0.65 5.38 -0.12 -0.56 -4.75 117.98 118.35 1xqg s PHE 30 Ca -0.09 0.02 -0.05 0.00 -0.05 0.00 0.00 56.93 56.76 1xqg s PHE 30 Cb -0.03 0.58 0.17 0.00 -0.63 0.00 0.00 43.02 43.10 1xqg s PHE 30 CO -0.14 -0.60 0.49 0.45 -0.05 0.00 0.00 175.22 175.37 1xqg s SER 31 N -2.69 5.52 0.34 1.98 0.15 -1.26 -1.23 113.70 116.50 1xqg s SER 31 Ca 0.09 -2.77 0.08 0.00 0.70 0.00 0.00 55.95 54.05 1xqg s SER 31 Cb -0.01 -1.92 0.78 0.00 -1.71 0.00 0.00 66.02 63.16 1xqg s SER 31 CO -0.04 -0.42 1.84 -0.65 1.20 0.00 0.00 173.24 175.17 1xqg h PRO 32 N 7.23 0.72 -0.07 5.44 0.11 -1.79 -1.84 132.00 141.81 1xqg h PRO 32 Ca -0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1xqg h PRO 32 Cb 0.97 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1xqg h PRO 32 CO 0.73 0.47 0.01 0.97 -0.21 0.00 0.00 178.00 179.97 1xqg h ILE 33 N 0.74 1.22 -0.52 4.15 6.09 -1.78 -2.07 117.51 125.34 1xqg h ILE 33 Ca 0.49 -0.69 0.07 0.00 -1.37 0.00 0.00 64.86 63.37 1xqg h ILE 33 Cb 0.78 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 39.59 1xqg h ILE 33 CO -0.26 0.19 0.35 0.00 -3.07 0.00 0.00 178.15 175.36 1xqg h ALA 34 N 0.76 1.96 0.00 0.18 0.00 -1.65 -0.56 119.26 119.95 1xqg h ALA 34 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1xqg h ALA 34 Cb 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xqg h ALA 34 CO 0.00 -0.06 -0.91 1.25 0.00 0.00 0.00 179.25 179.53 1xqg h LEU 35 N 0.41 0.00 -0.07 0.00 5.85 -1.33 -3.08 115.31 117.09 1xqg h LEU 35 Ca 0.23 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.75 1xqg h LEU 35 Cb 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1xqg h LEU 35 CO -0.06 0.74 -0.74 0.28 -0.34 0.00 0.00 178.44 178.32 1xqg h SER 36 N 0.00 0.77 0.07 1.25 0.02 -0.60 -1.29 113.55 113.77 1xqg h SER 36 Ca -0.05 -0.69 0.02 0.00 -0.84 0.00 0.00 61.79 60.23 1xqg h SER 36 Cb 1.61 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 1xqg h SER 36 CO 0.09 1.34 -0.24 0.74 -1.14 0.00 0.00 176.83 177.62 1xqg h THR 37 N 0.26 0.46 0.52 -2.27 2.02 -1.21 0.51 112.91 113.20 1xqg h THR 37 Ca -0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1xqg h THR 37 Cb 1.40 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1xqg h THR 37 CO 0.15 0.00 -0.35 0.28 0.37 0.00 0.00 175.52 175.97 1xqg h SER 38 N -0.42 -0.90 -0.24 4.18 0.02 -1.55 -1.99 113.55 112.64 1xqg h SER 38 Ca 0.04 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1xqg h SER 38 Cb 0.46 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1xqg h SER 38 CO -0.17 -0.54 0.23 -0.07 -1.14 0.00 0.00 176.83 175.14 1xqg h LEU 39 N -0.84 0.00 0.00 5.07 4.07 -1.10 0.05 115.31 122.56 1xqg h LEU 39 Ca -0.06 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.77 1xqg h LEU 39 Cb 0.70 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1xqg h LEU 39 CO 0.04 0.00 -0.65 0.77 -1.08 0.00 0.00 178.44 177.52 1xqg h SER 40 N 0.00 0.00 -0.22 -0.43 4.64 -0.42 -2.54 113.55 114.58 1xqg h SER 40 Ca 0.12 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1xqg h SER 40 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1xqg h SER 40 CO -0.00 0.58 -0.50 0.25 -0.87 0.00 0.00 176.83 176.29 1xqg h LEU 41 N 0.00 0.88 -0.56 5.97 5.85 -0.28 -2.91 115.31 124.25 1xqg h LEU 41 Ca -0.02 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 1xqg h LEU 41 Cb 1.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1xqg h LEU 41 CO 0.07 1.22 0.04 0.00 -0.34 0.00 0.00 178.44 179.44 1xqg h ALA 42 N 0.80 0.75 -0.40 1.25 0.00 -1.37 -2.72 119.26 117.57 1xqg h ALA 42 Ca 0.03 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.78 1xqg h ALA 42 Cb 1.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xqg h ALA 42 CO 0.11 0.54 0.31 0.37 0.00 0.00 0.00 179.25 180.58 1xqg h GLN 43 N 0.85 0.00 -0.49 0.00 4.15 -1.26 -1.23 115.11 117.13 1xqg h GLN 43 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 1xqg h GLN 43 Cb 0.48 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1xqg h GLN 43 CO 0.02 0.00 0.20 0.28 -1.93 0.00 0.00 178.83 177.40 1xqg h VAL 44 N 0.00 1.21 -0.58 2.39 2.07 -1.38 -2.73 116.25 117.23 1xqg h VAL 44 Ca 0.19 -0.64 -0.39 0.00 0.82 0.00 0.00 66.70 66.68 1xqg h VAL 44 Cb 0.81 0.71 -0.17 0.00 -1.52 0.00 0.00 31.29 31.13 1xqg h VAL 44 CO -0.00 0.24 0.51 0.61 0.02 0.00 0.00 177.57 178.94 1xqg n GLY 45 N -0.81 4.43 3.09 2.17 0.00 -0.47 -4.75 105.19 108.85 1xqg n GLY 45 Ca 0.02 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1xqg n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqg s ALA 46 N -2.20 0.26 0.13 4.61 0.00 -1.03 -3.28 121.76 120.25 1xqg s ALA 46 Ca 0.37 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 1xqg s ALA 46 Cb 0.29 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1xqg s ALA 46 CO -0.00 -0.34 0.20 0.15 0.00 0.00 0.00 175.76 175.77 1xqg s LYS 47 N -3.23 1.00 3.49 0.00 1.02 -0.15 -4.64 119.74 117.23 1xqg s LYS 47 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1xqg s LYS 47 Cb 0.03 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1xqg s LYS 47 CO -0.07 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1xqg n GLY 48 N -0.13 0.27 0.33 -3.33 0.00 -1.26 -3.27 105.19 97.79 1xqg n GLY 48 Ca -0.09 -0.88 0.20 0.00 0.00 0.00 0.00 46.02 45.24 1xqg n GLY 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xqg h ASP 49 N 8.47 0.00 0.24 1.61 3.45 -1.96 -0.75 116.42 127.48 1xqg h ASP 49 Ca 0.00 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.23 1xqg h ASP 49 Cb 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1xqg h ASP 49 CO 0.00 0.00 -0.93 0.74 -1.57 0.00 0.00 179.24 177.48 1xqg h THR 50 N 0.00 1.37 0.00 0.35 2.02 -1.88 -2.25 112.91 112.51 1xqg h THR 50 Ca 0.01 -2.35 -0.18 0.00 0.77 0.00 0.00 66.41 64.67 1xqg h THR 50 Cb 0.20 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 1xqg h THR 50 CO -0.00 0.71 -1.19 0.00 0.37 0.00 0.00 175.52 175.40 1xqg h ALA 51 N 0.69 0.64 0.00 6.16 0.00 -1.32 -3.23 119.26 122.21 1xqg h ALA 51 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1xqg h ALA 51 Cb 1.56 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xqg h ALA 51 CO 0.17 0.99 -0.10 -0.91 0.00 0.00 0.00 179.25 179.39 1xqg h ASN 52 N 0.00 0.00 0.53 0.00 2.35 -1.25 -3.01 115.58 114.20 1xqg h ASN 52 Ca -0.13 -0.03 -0.29 0.00 -0.55 0.00 0.00 56.30 55.30 1xqg h ASN 52 Cb 1.63 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.00 1xqg h ASN 52 CO 0.07 0.01 -1.34 -0.08 -1.65 0.00 0.00 177.43 174.44 1xqg h GLU 53 N 0.00 0.32 -0.18 0.81 4.81 -1.45 -2.40 114.58 116.49 1xqg h GLU 53 Ca 0.00 -0.55 -0.17 0.00 -0.13 0.00 0.00 59.36 58.51 1xqg h GLU 53 Cb 0.78 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1xqg h GLU 53 CO 0.00 1.25 -0.58 0.82 -0.73 0.00 0.00 179.01 179.77 1xqg h ILE 54 N 0.09 1.32 0.00 2.32 2.04 -1.57 -0.83 117.51 120.88 1xqg h ILE 54 Ca -0.18 -1.84 -0.10 0.00 1.00 0.00 0.00 64.86 63.74 1xqg h ILE 54 Cb 2.02 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1xqg h ILE 54 CO 0.21 0.57 -0.47 1.23 0.00 0.00 0.00 178.15 179.70 1xqg h GLY 55 N 1.03 0.00 1.46 5.37 0.00 -1.58 0.32 103.07 109.68 1xqg h GLY 55 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1xqg h GLY 55 CO 0.11 0.00 -1.06 1.46 0.00 0.00 0.00 176.54 177.05 1xqg h GLN 56 N 0.00 0.46 0.18 4.80 4.20 -1.12 0.29 115.11 123.93 1xqg h GLN 56 Ca -0.00 -0.55 -0.31 0.00 0.06 0.00 0.00 58.65 57.84 1xqg h GLN 56 Cb 0.84 0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.81 1xqg h GLN 56 CO 0.06 1.20 -1.47 0.28 -0.67 0.00 0.00 178.83 178.23 1xqg h VAL 57 N 0.23 1.13 -0.00 -0.54 2.07 -0.96 -3.29 116.25 114.89 1xqg h VAL 57 Ca -0.11 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1xqg h VAL 57 Cb 1.72 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.38 1xqg h VAL 57 CO 0.19 0.79 -0.02 0.18 0.02 0.00 0.00 177.57 178.73 1xqg n LEU 58 N -3.78 0.35 -2.89 2.57 4.77 0.11 -4.73 117.00 113.40 1xqg n LEU 58 Ca -0.21 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.51 1xqg n LEU 58 Cb 1.01 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 42.07 1xqg n LEU 58 CO 0.51 0.06 0.06 1.41 -1.33 0.00 0.00 177.39 178.10 1xqg n HIS 59 N -0.82 -2.00 1.28 -1.77 8.25 -0.85 -4.43 115.22 114.88 1xqg n HIS 59 Ca 0.20 0.59 0.14 0.00 -0.26 0.00 0.00 57.72 58.39 1xqg n HIS 59 Cb 0.20 -4.31 0.53 0.00 1.12 0.00 0.00 29.99 27.53 1xqg n HIS 59 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xqg n PHE 60 N -4.50 0.00 0.00 4.41 3.72 0.04 -4.20 117.46 116.92 1xqg n PHE 60 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1xqg n PHE 60 Cb 0.60 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1xqg n PHE 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xqg n GLU 61 N -1.04 0.00 0.00 -1.08 0.28 -1.06 -0.92 120.64 116.81 1xqg n GLU 61 Ca 0.12 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1xqg n GLU 61 Cb 0.30 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.47 1xqg n GLU 61 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1xqg n ASN 62 N -1.05 0.28 -4.82 -1.84 4.13 -1.26 -5.08 115.26 105.61 1xqg n ASN 62 Ca 0.00 -1.13 -0.32 0.00 1.68 0.00 0.00 54.58 54.80 1xqg n ASN 62 Cb 0.20 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 1xqg n ASN 62 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xqg s VAL 63 N -0.13 4.91 0.01 2.41 1.01 -0.10 -5.01 120.40 123.49 1xqg s VAL 63 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1xqg s VAL 63 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1xqg s VAL 63 CO 0.00 0.26 -0.15 -1.59 0.00 0.00 0.00 175.10 173.62 1xqg s LYS 64 N -2.05 2.30 -0.92 2.72 -2.85 -1.26 -4.70 119.74 112.97 1xqg s LYS 64 Ca 0.27 -0.85 -0.08 0.00 -1.00 0.00 0.00 55.97 54.31 1xqg s LYS 64 Cb -0.12 -2.31 -0.00 0.00 -2.06 0.00 0.00 37.83 33.34 1xqg s LYS 64 CO 0.19 0.58 0.71 -3.47 0.10 0.00 0.00 175.35 173.45 1xqg n ASP 65 N 1.76 -5.87 -0.12 0.03 -0.08 -1.26 -4.83 116.55 106.18 1xqg n ASP 65 Ca -0.16 -0.74 -0.13 0.00 -1.51 0.00 0.00 54.79 52.26 1xqg n ASP 65 Cb 0.52 -3.35 -0.03 0.00 2.34 0.00 0.00 41.12 40.60 1xqg n ASP 65 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1xqg h VAL 66 N -0.71 1.29 -0.76 5.18 2.07 -1.98 -3.21 116.25 118.12 1xqg h VAL 66 Ca -0.47 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 65.71 1xqg h VAL 66 Cb 1.27 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1xqg h VAL 66 CO 0.39 0.47 0.50 -0.65 0.02 0.00 0.00 177.57 178.30 1xqg h PRO 67 N 0.59 0.76 -0.57 1.57 0.11 -1.95 -1.76 132.00 130.75 1xqg h PRO 67 Ca 0.07 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 1xqg h PRO 67 Cb 0.83 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1xqg h PRO 67 CO 0.07 0.50 0.01 0.35 -0.21 0.00 0.00 178.00 178.72 1xqg h PHE 68 N 0.78 1.06 -0.59 0.65 3.57 -1.93 0.41 116.94 120.90 1xqg h PHE 68 Ca 0.33 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1xqg h PHE 68 Cb 0.30 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1xqg h PHE 68 CO -0.00 0.94 0.36 0.78 -2.23 0.00 0.00 178.31 178.16 1xqg h GLY 69 N 1.00 0.85 1.48 2.40 0.00 -1.35 -1.93 103.07 105.53 1xqg h GLY 69 Ca 0.17 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1xqg h GLY 69 CO 0.03 0.22 -0.51 0.74 0.00 0.00 0.00 176.54 177.01 1xqg h PHE 70 N 0.70 0.68 -0.95 5.60 0.04 -1.06 -2.22 116.94 119.72 1xqg h PHE 70 Ca 0.24 -0.23 0.12 0.00 2.80 0.00 0.00 57.97 60.90 1xqg h PHE 70 Cb 0.04 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 37.98 1xqg h PHE 70 CO -0.06 0.95 0.61 0.37 -0.60 0.00 0.00 178.31 179.57 1xqg h GLN 71 N 0.43 0.89 0.18 1.51 4.15 0.45 -0.91 115.11 121.81 1xqg h GLN 71 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1xqg h GLN 71 Cb 1.04 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1xqg h GLN 71 CO 0.10 0.59 -0.09 1.15 -1.93 0.00 0.00 178.83 178.65 1xqg h THR 72 N 0.92 0.62 -0.83 2.39 2.02 -1.16 -2.64 112.91 114.23 1xqg h THR 72 Ca 0.46 -1.09 0.18 0.00 0.77 0.00 0.00 66.41 66.73 1xqg h THR 72 Cb 0.50 1.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.87 1xqg h THR 72 CO -0.22 0.17 0.34 0.58 0.37 0.00 0.00 175.52 176.76 1xqg h VAL 73 N -0.95 0.56 -0.49 3.16 2.07 -1.28 0.36 116.25 119.68 1xqg h VAL 73 Ca -0.02 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xqg h VAL 73 Cb 0.46 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1xqg h VAL 73 CO 0.04 0.08 0.30 0.74 0.02 0.00 0.00 177.57 178.75 1xqg h THR 74 N 0.42 1.14 -0.60 2.57 2.02 -1.23 0.67 112.91 117.90 1xqg h THR 74 Ca 0.49 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 1xqg h THR 74 Cb 0.84 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1xqg h THR 74 CO -0.47 0.15 0.05 0.28 0.37 0.00 0.00 175.52 175.89 1xqg h SER 75 N 0.66 1.00 0.72 4.18 0.02 -0.47 0.22 113.55 119.88 1xqg h SER 75 Ca 0.18 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1xqg h SER 75 Cb -0.03 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1xqg h SER 75 CO -0.03 1.03 -0.45 0.44 -1.14 0.00 0.00 176.83 176.68 1xqg h ASP 76 N 0.93 -1.13 -0.51 3.07 3.32 0.02 0.13 116.42 122.25 1xqg h ASP 76 Ca 0.18 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.35 1xqg h ASP 76 Cb 0.49 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1xqg h ASP 76 CO 0.02 -0.69 0.34 0.58 -1.72 0.00 0.00 179.24 177.78 1xqg h VAL 77 N -1.10 0.99 -0.23 -1.35 2.07 -0.82 -0.67 116.25 115.13 1xqg h VAL 77 Ca -0.10 -0.16 -0.19 0.00 0.82 0.00 0.00 66.70 67.07 1xqg h VAL 77 Cb 0.88 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1xqg h VAL 77 CO 0.10 0.09 -0.60 0.78 0.02 0.00 0.00 177.57 177.95 1xqg h ASN 78 N 0.47 0.93 -0.01 0.57 -0.26 -0.27 -2.02 115.58 114.99 1xqg h ASN 78 Ca 0.22 -0.57 -0.08 0.00 -0.56 0.00 0.00 56.30 55.32 1xqg h ASN 78 Cb 0.28 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1xqg h ASN 78 CO -0.06 1.33 -0.20 0.50 -1.06 0.00 0.00 177.43 177.95 1xqg h LYS 79 N 0.57 0.37 -0.09 0.81 3.11 -0.13 -2.69 116.57 118.52 1xqg h LYS 79 Ca -0.01 -0.12 -0.10 0.00 -2.81 0.00 0.00 60.65 57.61 1xqg h LYS 79 Cb 1.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 1xqg h LYS 79 CO 0.13 0.56 -0.39 1.25 -2.81 0.00 0.00 179.45 178.19 1xqg h LEU 80 N 0.34 0.20 -1.25 5.20 5.85 -0.97 -3.16 115.31 121.52 1xqg h LEU 80 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xqg h LEU 80 Cb 0.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1xqg h LEU 80 CO 0.04 0.58 0.00 0.28 -0.34 0.00 0.00 178.44 179.00 1xqg h SER 81 N 0.17 0.00 -0.44 1.25 0.02 -1.01 0.32 113.55 113.86 1xqg h SER 81 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xqg h SER 81 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1xqg h SER 81 CO 0.06 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.21 1xqg n SER 82 N -2.30 3.07 -0.02 3.07 3.41 -1.19 -4.25 113.62 115.41 1xqg n SER 82 Ca -0.00 -1.95 -0.05 0.00 -0.26 0.00 0.00 58.87 56.61 1xqg n SER 82 Cb 0.10 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 1xqg n SER 82 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xqg n PHE 83 N 1.21 0.00 -2.81 7.33 -0.00 -0.04 -5.06 117.46 118.09 1xqg n PHE 83 Ca 0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.40 1xqg n PHE 83 Cb 0.52 -0.19 0.02 0.00 -0.00 0.00 0.00 39.48 39.83 1xqg n PHE 83 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1xqg s TYR 84 N -2.14 3.22 -0.22 -5.13 2.02 -0.37 -4.94 117.35 109.79 1xqg s TYR 84 Ca -0.08 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.91 1xqg s TYR 84 Cb 0.03 -2.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.08 1xqg s TYR 84 CO 0.11 -0.50 2.97 0.43 -1.57 0.00 0.00 175.55 176.98 1xqg n SER 85 N -2.23 5.88 -4.81 2.29 7.64 -1.26 -4.69 113.62 116.44 1xqg n SER 85 Ca 0.02 -2.83 -0.22 0.00 1.01 0.00 0.00 58.87 56.85 1xqg n SER 85 Cb 0.58 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 1xqg n SER 85 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1xqg s LEU 86 N -1.08 3.60 -0.30 -3.43 2.96 -1.26 -2.39 118.68 116.78 1xqg s LEU 86 Ca 0.54 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 1xqg s LEU 86 Cb 0.31 -2.16 0.17 0.00 0.50 0.00 0.00 46.19 45.01 1xqg s LEU 86 CO -0.09 -0.22 1.06 -0.75 -1.32 0.00 0.00 176.35 175.03 1xqg s LYS 87 N -3.90 0.25 -0.36 1.98 2.47 -1.09 -4.68 119.74 114.41 1xqg s LYS 87 Ca 0.37 0.55 0.02 0.00 -1.56 0.00 0.00 55.97 55.35 1xqg s LYS 87 Cb -0.06 0.24 0.11 0.00 -1.46 0.00 0.00 37.83 36.66 1xqg s LYS 87 CO 0.25 -0.07 0.11 -1.17 0.16 0.00 0.00 175.35 174.63 1xqg s LEU 88 N 1.94 3.51 -0.35 5.43 2.96 -1.26 -1.26 118.68 129.65 1xqg s LEU 88 Ca -0.04 -2.12 -0.12 0.00 -0.22 0.00 0.00 54.13 51.62 1xqg s LEU 88 Cb -0.04 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.38 1xqg s LEU 88 CO -0.16 -0.36 0.23 -0.63 -1.32 0.00 0.00 176.35 174.11 1xqg s ILE 89 N 0.97 5.07 -0.01 6.68 1.09 0.11 -4.97 121.20 130.13 1xqg s ILE 89 Ca 0.12 -0.41 0.02 0.00 -1.10 0.00 0.00 60.65 59.28 1xqg s ILE 89 Cb -0.20 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1xqg s ILE 89 CO -0.12 -0.08 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.08 1xqg s LYS 90 N 1.67 2.73 -0.29 2.79 1.02 -1.26 -0.59 119.74 125.82 1xqg s LYS 90 Ca 0.05 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 1xqg s LYS 90 Cb -0.18 -2.62 0.12 0.00 -0.52 0.00 0.00 37.83 34.63 1xqg s LYS 90 CO 0.09 0.63 0.83 0.50 -0.92 0.00 0.00 175.35 176.48 1xqg s ARG 91 N -1.39 0.52 -0.16 1.68 3.52 -0.63 -4.64 118.95 117.86 1xqg s ARG 91 Ca 0.18 0.99 -0.01 0.00 -0.13 0.00 0.00 55.73 56.75 1xqg s ARG 91 Cb -0.11 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1xqg s ARG 91 CO 0.08 -0.12 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.17 1xqg s LEU 92 N 1.79 2.79 -0.09 -0.88 0.20 0.49 -0.25 118.68 122.72 1xqg s LEU 92 Ca -0.08 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.39 1xqg s LEU 92 Cb -0.06 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 1xqg s LEU 92 CO -0.18 0.11 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.64 1xqg s TYR 93 N 0.66 2.99 -0.02 5.38 2.02 0.14 -0.36 117.35 128.15 1xqg s TYR 93 Ca -0.06 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.65 1xqg s TYR 93 Cb -0.15 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1xqg s TYR 93 CO 0.02 0.27 -0.14 0.14 -1.57 0.00 0.00 175.55 174.26 1xqg s VAL 94 N -0.55 1.16 0.36 0.71 -7.23 -0.45 0.63 120.40 115.04 1xqg s VAL 94 Ca 0.08 -0.61 -0.27 0.00 -1.81 0.00 0.00 61.98 59.38 1xqg s VAL 94 Cb -0.12 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.75 1xqg s VAL 94 CO 0.02 0.33 1.21 -0.62 -0.31 0.00 0.00 175.10 175.74 1xqg s ASP 95 N -0.19 6.69 0.34 4.85 2.15 -0.50 -1.06 116.67 128.96 1xqg s ASP 95 Ca 0.02 2.47 0.09 0.00 0.43 0.00 0.00 52.55 55.57 1xqg s ASP 95 Cb -0.07 -2.63 0.83 0.00 -0.30 0.00 0.00 42.92 40.74 1xqg s ASP 95 CO 0.00 -0.57 1.81 0.11 -0.17 0.00 0.00 175.17 176.35 1xqg h LYS 96 N 3.05 0.66 -1.27 4.34 1.57 -0.57 -0.64 116.57 123.70 1xqg h LYS 96 Ca -0.49 -0.04 0.37 0.00 -1.87 0.00 0.00 60.65 58.63 1xqg h LYS 96 Cb 1.23 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.30 1xqg h LYS 96 CO 0.64 0.44 0.86 0.66 -0.57 0.00 0.00 179.45 181.48 1xqg h SER 97 N 0.68 0.20 -3.20 0.86 4.64 -1.90 -3.34 113.55 111.50 1xqg h SER 97 Ca 0.54 0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 61.35 1xqg h SER 97 Cb 0.94 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 1xqg h SER 97 CO -0.30 -0.03 0.97 -0.76 -0.87 0.00 0.00 176.83 175.84 1xqg s LEU 98 N -9.01 3.84 -0.84 5.97 1.43 -0.25 -4.92 118.68 114.90 1xqg s LEU 98 Ca -0.07 1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.90 1xqg s LEU 98 Cb 0.26 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1xqg s LEU 98 CO 0.82 -1.12 1.31 0.21 0.23 0.00 0.00 176.35 177.80 1xqg s ASN 99 N 2.84 6.29 0.30 2.29 2.47 -1.25 -4.92 114.94 122.96 1xqg s ASN 99 Ca 0.56 -0.87 -0.30 0.00 0.42 0.00 0.00 52.86 52.67 1xqg s ASN 99 Cb -0.16 -2.55 -0.11 0.00 -1.45 0.00 0.00 41.25 36.98 1xqg s ASN 99 CO 0.24 -1.68 1.55 -0.76 -3.72 0.00 0.00 177.10 172.73 1xqg s LEU 100 N 5.28 4.35 0.66 3.21 1.43 -1.26 -4.50 118.68 127.85 1xqg s LEU 100 Ca 0.38 2.92 -0.13 0.00 -1.03 0.00 0.00 54.13 56.26 1xqg s LEU 100 Cb -0.06 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1xqg s LEU 100 CO 0.05 -0.87 1.07 -0.94 0.23 0.00 0.00 176.35 175.90 1xqg s SER 101 N 0.36 5.35 0.20 2.29 1.04 -0.49 -4.95 113.70 117.49 1xqg s SER 101 Ca 0.61 1.80 0.11 0.00 0.48 0.00 0.00 55.95 58.95 1xqg s SER 101 Cb -0.47 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.07 1xqg s SER 101 CO 0.50 -1.47 1.37 0.71 0.98 0.00 0.00 173.24 175.33 1xqg h THR 102 N -0.18 1.28 -0.35 2.02 1.35 -1.93 -2.41 112.91 112.67 1xqg h THR 102 Ca -0.46 -2.80 -0.05 0.00 -0.55 0.00 0.00 66.41 62.56 1xqg h THR 102 Cb 1.22 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 70.26 1xqg h THR 102 CO 0.56 0.73 0.02 -0.08 -0.25 0.00 0.00 175.52 176.49 1xqg h GLU 103 N 0.00 0.61 0.60 4.72 4.57 -1.93 -1.97 114.58 121.19 1xqg h GLU 103 Ca -0.01 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1xqg h GLU 103 Cb 1.56 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 30.10 1xqg h GLU 103 CO 0.10 0.72 -0.29 0.35 -1.18 0.00 0.00 179.01 178.70 1xqg h PHE 104 N 0.43 -0.75 -0.29 0.92 3.57 -1.78 -1.55 116.94 117.50 1xqg h PHE 104 Ca 0.10 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1xqg h PHE 104 Cb 0.43 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.34 1xqg h PHE 104 CO 0.03 -0.45 -0.27 0.82 -2.23 0.00 0.00 178.31 176.21 1xqg h ILE 105 N -0.85 0.33 -0.22 1.41 2.04 -1.38 -3.01 117.51 115.85 1xqg h ILE 105 Ca -0.08 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.59 1xqg h ILE 105 Cb 0.64 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1xqg h ILE 105 CO 0.14 0.00 -0.61 0.77 0.00 0.00 0.00 178.15 178.44 1xqg h SER 106 N -0.26 0.84 0.00 1.72 4.64 -1.40 -3.08 113.55 116.01 1xqg h SER 106 Ca 0.15 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1xqg h SER 106 Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xqg h SER 106 CO -0.43 1.26 0.00 -1.54 -0.87 0.00 0.00 176.83 175.24 1xqg n SER 107 N -3.96 0.57 0.00 4.97 3.41 -0.58 -2.60 113.62 115.42 1xqg n SER 107 Ca -0.05 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1xqg n SER 107 Cb 0.66 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1xqg n SER 107 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xqg n THR 108 N -0.04 0.00 0.10 6.66 -2.24 -1.18 -4.87 114.28 112.71 1xqg n THR 108 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1xqg n THR 108 Cb 0.14 0.83 0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1xqg n THR 108 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xqg h LYS 109 N 0.00 0.13 0.00 -0.78 3.64 -1.42 -2.69 116.57 115.45 1xqg h LYS 109 Ca 0.00 -0.10 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 1xqg h LYS 109 Cb 0.91 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1xqg h LYS 109 CO 0.00 0.76 -1.37 0.54 -2.27 0.00 0.00 179.45 177.11 1xqg n ARG 110 N -3.77 0.56 0.02 1.90 5.12 -1.26 -3.61 116.66 115.62 1xqg n ARG 110 Ca -0.02 0.54 0.03 0.00 -1.93 0.00 0.00 57.85 56.46 1xqg n ARG 110 Cb 0.67 -1.71 0.39 0.00 -1.16 0.00 0.00 32.46 30.65 1xqg n ARG 110 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1xqg h PRO 111 N -1.00 0.48 -2.14 5.56 0.11 -1.87 -3.28 132.00 129.86 1xqg h PRO 111 Ca -0.37 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.10 1xqg h PRO 111 Cb 1.30 -0.09 -0.41 0.00 0.11 0.00 0.00 31.00 31.91 1xqg h PRO 111 CO -0.23 0.41 -0.77 0.66 -0.21 0.00 0.00 178.00 177.86 1xqg n TYR 112 N -4.39 2.40 0.00 0.65 4.01 -1.01 -3.94 117.16 114.87 1xqg n TYR 112 Ca 0.02 -3.96 0.00 0.00 -0.16 0.00 0.00 57.90 53.80 1xqg n TYR 112 Cb 0.14 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1xqg n TYR 112 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xqg n ALA 113 N 0.89 0.00 -0.40 -0.72 0.00 -1.24 -3.19 120.51 115.86 1xqg n ALA 113 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 1xqg n ALA 113 Cb 0.45 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.01 1xqg n ALA 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xqg n LYS 114 N 0.00 1.78 0.02 0.00 5.02 -1.26 -4.13 118.16 119.60 1xqg n LYS 114 Ca 0.00 -1.88 0.12 0.00 -2.02 0.00 0.00 58.31 54.53 1xqg n LYS 114 Cb 0.00 -1.74 0.28 0.00 -0.02 0.00 0.00 35.03 33.55 1xqg n LYS 114 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xqg n GLU 115 N -0.52 0.11 -3.79 1.97 1.02 -1.19 -4.69 120.64 113.54 1xqg n GLU 115 Ca 0.37 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 57.18 1xqg n GLU 115 Cb 1.23 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 30.94 1xqg n GLU 115 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xqg s LEU 116 N -3.49 4.04 0.02 -4.62 1.98 -1.26 -0.38 118.68 114.98 1xqg s LEU 116 Ca 0.10 -1.03 0.06 0.00 -2.89 0.00 0.00 54.13 50.37 1xqg s LEU 116 Cb 0.16 -1.83 -0.02 0.00 0.66 0.00 0.00 46.19 45.16 1xqg s LEU 116 CO 0.68 -0.27 -0.19 -0.70 -1.89 0.00 0.00 176.35 173.98 1xqg s GLU 117 N 1.40 1.40 -0.17 1.98 2.12 0.51 -4.98 118.70 120.96 1xqg s GLU 117 Ca -0.01 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.47 1xqg s GLU 117 Cb -0.19 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.75 1xqg s GLU 117 CO 0.02 0.38 -0.03 0.99 -0.54 0.00 0.00 175.26 176.08 1xqg s THR 118 N -0.65 3.87 0.44 -1.70 2.01 -1.26 -1.34 115.64 117.00 1xqg s THR 118 Ca 0.07 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1xqg s THR 118 Cb -0.08 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1xqg s THR 118 CO 0.01 0.47 0.14 0.68 -0.69 0.00 0.00 174.62 175.23 1xqg s VAL 119 N 0.64 0.51 -0.62 3.82 -7.23 -0.22 -4.92 120.40 112.37 1xqg s VAL 119 Ca -0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1xqg s VAL 119 Cb -0.14 -2.25 0.15 0.00 0.56 0.00 0.00 36.38 34.71 1xqg s VAL 119 CO 0.02 0.00 0.40 -0.62 -0.31 0.00 0.00 175.10 174.60 1xqg s ASP 120 N -3.66 4.80 -0.10 4.85 3.68 -1.26 0.23 116.67 125.22 1xqg s ASP 120 Ca 0.20 -3.24 -0.25 0.00 2.13 0.00 0.00 52.55 51.40 1xqg s ASP 120 Cb 0.01 -1.72 -0.21 0.00 -1.45 0.00 0.00 42.92 39.55 1xqg s ASP 120 CO 0.14 -0.22 0.80 -0.26 0.13 0.00 0.00 175.17 175.76 1xqg h PHE 121 N 6.32 -0.03 0.00 -5.34 0.04 -1.87 -1.87 116.94 114.20 1xqg h PHE 121 Ca 0.01 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1xqg h PHE 121 Cb 0.87 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 1xqg h PHE 121 CO 0.62 0.71 -0.06 -0.22 -0.60 0.00 0.00 178.31 178.76 1xqg h LYS 122 N -0.89 0.00 0.00 1.51 3.64 -1.80 -1.96 116.57 117.07 1xqg h LYS 122 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xqg h LYS 122 Cb 0.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1xqg h LYS 122 CO 0.01 0.06 -1.46 -0.25 -2.27 0.00 0.00 179.45 175.53 1xqg n ASP 123 N -4.05 3.27 -2.20 4.20 10.43 -1.26 -4.76 116.55 122.18 1xqg n ASP 123 Ca -0.03 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.26 1xqg n ASP 123 Cb 0.14 0.78 0.05 0.00 1.84 0.00 0.00 41.12 43.93 1xqg n ASP 123 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1xqg n LYS 124 N -2.18 2.18 -0.27 -1.24 5.02 -0.72 -4.89 118.16 116.06 1xqg n LYS 124 Ca -0.10 -3.55 0.33 0.00 -2.02 0.00 0.00 58.31 52.97 1xqg n LYS 124 Cb 0.65 -1.66 0.63 0.00 -0.02 0.00 0.00 35.03 34.63 1xqg n LYS 124 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xqg h LEU 125 N 2.13 0.00 0.15 -0.35 7.12 -1.22 0.72 115.31 123.87 1xqg h LEU 125 Ca 0.04 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.70 1xqg h LEU 125 Cb 1.41 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.54 1xqg h LEU 125 CO 0.36 0.00 -1.79 -0.08 -0.13 0.00 0.00 178.44 176.80 1xqg h GLU 126 N 0.00 0.31 0.00 1.25 4.57 -1.88 -3.14 114.58 115.69 1xqg h GLU 126 Ca 0.53 -0.54 -0.19 0.00 -1.18 0.00 0.00 59.36 57.98 1xqg h GLU 126 Cb 2.60 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 31.37 1xqg h GLU 126 CO -0.01 1.21 -0.91 1.49 -1.18 0.00 0.00 179.01 179.62 1xqg h GLU 127 N 0.09 0.00 -0.37 1.92 4.81 -0.69 -2.97 114.58 117.37 1xqg h GLU 127 Ca -0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1xqg h GLU 127 Cb 2.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.43 1xqg h GLU 127 CO 0.15 0.91 0.02 1.15 -0.73 0.00 0.00 179.01 180.50 1xqg h THR 128 N 0.00 1.25 -0.64 0.32 2.02 0.07 -1.60 112.91 114.33 1xqg h THR 128 Ca -0.01 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1xqg h THR 128 Cb 1.62 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1xqg h THR 128 CO 0.12 0.31 0.23 0.11 0.37 0.00 0.00 175.52 176.66 1xqg h LYS 129 N 0.46 0.95 -0.24 6.66 1.57 -1.57 0.22 116.57 124.62 1xqg h LYS 129 Ca 0.11 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1xqg h LYS 129 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1xqg h LYS 129 CO 0.01 0.79 -0.15 0.78 -0.57 0.00 0.00 179.45 180.32 1xqg h GLY 130 N 1.03 0.44 0.48 3.86 0.00 -1.34 0.49 103.07 108.03 1xqg h GLY 130 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xqg h GLY 130 CO -0.01 0.28 -0.18 -1.61 0.00 0.00 0.00 176.54 175.01 1xqg h GLN 131 N 0.37 -0.49 -0.37 4.80 4.15 -0.44 -2.36 115.11 120.78 1xqg h GLN 131 Ca 0.07 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.59 1xqg h GLN 131 Cb 0.49 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 1xqg h GLN 131 CO 0.03 -0.22 -0.03 0.82 -1.93 0.00 0.00 178.83 177.50 1xqg h ILE 132 N -1.04 0.69 -0.26 2.39 2.04 -0.92 1.13 117.51 121.55 1xqg h ILE 132 Ca -0.05 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1xqg h ILE 132 Cb 0.50 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xqg h ILE 132 CO 0.09 0.01 -0.04 0.78 0.00 0.00 0.00 178.15 178.98 1xqg h ASN 133 N 0.06 0.37 0.53 1.72 2.35 -1.01 -0.95 115.58 118.65 1xqg h ASN 133 Ca 0.18 -0.07 -0.29 0.00 -0.55 0.00 0.00 56.30 55.57 1xqg h ASN 133 Cb 0.26 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1xqg h ASN 133 CO -0.33 0.47 -1.35 -1.13 -1.65 0.00 0.00 177.43 173.44 1xqg h ASN 134 N 0.38 0.49 0.09 5.81 -1.24 -0.70 -2.98 115.58 117.42 1xqg h ASN 134 Ca 0.08 -0.55 -0.00 0.00 0.71 0.00 0.00 56.30 56.53 1xqg h ASN 134 Cb 0.33 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1xqg h ASN 134 CO 0.01 1.44 -0.04 -1.28 -1.29 0.00 0.00 177.43 176.27 1xqg h SER 135 N 0.09 -0.10 -0.13 1.15 0.87 0.16 -2.63 113.55 112.95 1xqg h SER 135 Ca -0.18 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1xqg h SER 135 Cb 2.02 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 1xqg h SER 135 CO 0.21 0.10 -0.04 0.40 -0.53 0.00 0.00 176.83 176.97 1xqg h ILE 136 N -0.30 1.18 -0.23 2.23 1.08 -1.31 -2.00 117.51 118.17 1xqg h ILE 136 Ca -0.01 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1xqg h ILE 136 Cb 0.26 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1xqg h ILE 136 CO 0.02 0.24 -0.09 0.50 -0.69 0.00 0.00 178.15 178.14 1xqg h LYS 137 N 0.38 0.36 -0.02 2.37 3.64 -1.35 -0.80 116.57 121.15 1xqg h LYS 137 Ca 0.08 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1xqg h LYS 137 Cb 0.32 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1xqg h LYS 137 CO 0.01 0.46 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.85 1xqg h ASP 138 N 0.34 0.35 -0.71 4.20 3.32 -1.02 0.58 116.42 123.48 1xqg h ASP 138 Ca 0.07 -0.74 -0.00 0.00 0.02 0.00 0.00 57.03 56.38 1xqg h ASP 138 Cb 0.37 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1xqg h ASP 138 CO 0.02 1.04 0.42 -0.07 -1.72 0.00 0.00 179.24 178.94 1xqg h LEU 139 N -0.31 0.85 -2.44 1.55 3.38 -1.25 -2.31 115.31 114.78 1xqg h LEU 139 Ca -0.04 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1xqg h LEU 139 Cb 1.08 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1xqg h LEU 139 CO 0.07 0.67 0.16 0.35 0.09 0.00 0.00 178.44 179.78 1xqg n THR 140 N -4.53 1.50 -2.53 0.22 -2.24 -0.32 -4.85 114.28 101.52 1xqg n THR 140 Ca 0.06 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1xqg n THR 140 Cb 0.06 -0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1xqg n THR 140 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xqg n ASP 141 N 0.07 -2.89 0.00 3.42 10.43 -0.87 -0.61 116.55 126.10 1xqg n ASP 141 Ca 0.15 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.77 1xqg n ASP 141 Cb 0.78 -2.51 0.00 0.00 1.84 0.00 0.00 41.12 41.24 1xqg n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xqg n GLY 142 N -0.72 0.45 0.14 0.44 0.00 0.20 -4.94 105.19 100.75 1xqg n GLY 142 Ca -0.09 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.09 1xqg n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xqg h HIS 143 N 0.00 0.00 -3.18 1.61 3.86 -1.05 -3.42 115.15 112.98 1xqg h HIS 143 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1xqg h HIS 143 Cb 0.00 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.07 1xqg h HIS 143 CO 0.00 0.27 -0.74 -0.06 0.86 0.00 0.00 177.93 178.26 1xqg s PHE 144 N -3.12 2.09 0.06 2.45 0.40 -1.26 -5.00 117.98 113.60 1xqg s PHE 144 Ca 0.02 -2.13 -0.26 0.00 -0.60 0.00 0.00 56.93 53.95 1xqg s PHE 144 Cb 0.08 -1.95 -0.17 0.00 0.51 0.00 0.00 43.02 41.50 1xqg s PHE 144 CO 0.76 -0.86 1.60 0.93 0.70 0.00 0.00 175.22 178.35 1xqg h GLU 145 N 7.60 -0.28 -2.98 0.44 4.39 -1.88 -3.25 114.58 118.62 1xqg h GLU 145 Ca -0.08 0.02 -0.61 0.00 0.34 0.00 0.00 59.36 59.02 1xqg h GLU 145 Cb 0.99 0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 29.30 1xqg h GLU 145 CO 0.48 -0.12 -0.73 -0.80 -1.16 0.00 0.00 179.01 176.68 1xqg s ASN 146 N -5.01 3.64 0.26 1.42 -0.87 -1.26 -4.59 114.94 108.52 1xqg s ASN 146 Ca -0.15 -2.73 -0.03 0.00 -1.57 0.00 0.00 52.86 48.38 1xqg s ASN 146 Cb 0.04 -1.07 0.32 0.00 -0.02 0.00 0.00 41.25 40.53 1xqg s ASN 146 CO 0.63 -0.25 1.80 -0.29 -2.57 0.00 0.00 177.10 176.43 1xqg h ILE 147 N 5.18 1.24 -3.15 0.60 6.09 -1.82 -3.40 117.51 122.25 1xqg h ILE 147 Ca 0.01 -0.84 -0.57 0.00 -1.37 0.00 0.00 64.86 62.09 1xqg h ILE 147 Cb 0.92 0.60 -0.05 0.00 0.47 0.00 0.00 36.82 38.75 1xqg h ILE 147 CO 0.50 0.32 0.94 -0.76 -3.07 0.00 0.00 178.15 176.08 1xqg s LEU 148 N -9.42 3.92 0.00 2.19 1.43 -1.26 -4.99 118.68 110.55 1xqg s LEU 148 Ca -0.10 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1xqg s LEU 148 Cb 0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1xqg s LEU 148 CO 0.81 -1.01 0.00 0.00 0.23 0.00 0.00 176.35 176.38 1xqg n ALA 149 N 7.38 0.00 0.08 4.21 0.00 -1.26 -4.99 120.51 125.93 1xqg n ALA 149 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xqg n ALA 149 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1xqg n ALA 149 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xqg n ASP 150 N 0.00 0.66 -1.02 0.00 8.00 -1.26 -4.79 116.55 118.13 1xqg n ASP 150 Ca 0.00 0.24 0.03 0.00 0.71 0.00 0.00 54.79 55.77 1xqg n ASP 150 Cb 0.00 -0.09 0.16 0.00 -0.02 0.00 0.00 41.12 41.17 1xqg n ASP 150 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xqg n ASN 151 N -3.44 2.79 0.31 -2.24 3.02 -1.26 -4.42 115.26 110.02 1xqg n ASN 151 Ca 0.00 -2.34 -0.17 0.00 -0.03 0.00 0.00 54.58 52.04 1xqg n ASN 151 Cb 0.00 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.54 1xqg n ASN 151 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1xqg h SER 152 N 1.59 -0.81 -4.32 6.41 0.02 -1.94 -3.47 113.55 111.03 1xqg h SER 152 Ca 0.00 0.04 -0.43 0.00 -0.84 0.00 0.00 61.79 60.56 1xqg h SER 152 Cb 1.04 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.72 1xqg h SER 152 CO 0.18 -0.52 -0.35 1.33 -1.14 0.00 0.00 176.83 176.34 1xqg n VAL 153 N -5.46 0.00 -3.84 2.27 0.24 -1.26 -4.83 118.33 105.44 1xqg n VAL 153 Ca -0.12 -1.79 0.01 0.00 -2.04 0.00 0.00 64.34 60.40 1xqg n VAL 153 Cb 0.36 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.33 1xqg n VAL 153 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xqg s ASN 154 N -2.91 -0.02 0.55 -1.34 6.03 -1.26 -5.00 114.94 110.98 1xqg s ASN 154 Ca 0.13 -0.28 0.42 0.00 -1.03 0.00 0.00 52.86 52.09 1xqg s ASN 154 Cb 0.01 0.24 1.61 0.00 -3.03 0.00 0.00 41.25 40.08 1xqg s ASN 154 CO 0.09 -0.46 1.71 0.44 -2.03 0.00 0.00 177.10 176.85 1xqg h ASP 155 N 2.00 0.00 -1.05 3.54 3.45 -1.91 -2.31 116.42 120.13 1xqg h ASP 155 Ca -0.26 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.52 1xqg h ASP 155 Cb 1.20 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 39.67 1xqg h ASP 155 CO 0.31 0.00 0.80 0.00 -1.57 0.00 0.00 179.24 178.78 1xqg n GLN 156 N -4.06 2.75 -3.33 3.56 6.02 -1.26 -3.12 117.38 117.93 1xqg n GLN 156 Ca 0.33 -3.36 -0.40 0.00 -0.01 0.00 0.00 57.00 53.56 1xqg n GLN 156 Cb 1.54 -2.29 -0.09 0.00 1.02 0.00 0.00 30.24 30.43 1xqg n GLN 156 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xqg s THR 157 N -4.84 5.12 0.00 5.09 2.01 -0.87 -4.97 115.64 117.19 1xqg s THR 157 Ca 0.63 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1xqg s THR 157 Cb 0.50 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1xqg s THR 157 CO -0.03 0.05 0.00 0.29 -0.69 0.00 0.00 174.62 174.24 1xqg n LYS 158 N 5.45 0.00 -4.48 4.92 4.76 -1.26 -4.23 118.16 123.32 1xqg n LYS 158 Ca -0.07 0.28 -0.30 0.00 -2.87 0.00 0.00 58.31 55.35 1xqg n LYS 158 Cb 0.50 -0.75 -0.17 0.00 -1.84 0.00 0.00 35.03 32.77 1xqg n LYS 158 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xqg s ILE 159 N -0.84 1.69 -0.20 -0.18 1.01 -1.22 -1.41 121.20 120.06 1xqg s ILE 159 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1xqg s ILE 159 Cb 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.98 1xqg s ILE 159 CO 0.00 0.48 -0.16 -0.22 0.00 0.00 0.00 174.94 175.04 1xqg s LEU 160 N 0.98 2.37 -0.00 2.97 2.96 0.21 -0.40 118.68 127.76 1xqg s LEU 160 Ca -0.06 -0.82 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 1xqg s LEU 160 Cb -0.15 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1xqg s LEU 160 CO -0.03 -0.07 0.56 -0.69 -1.32 0.00 0.00 176.35 174.81 1xqg s VAL 161 N 1.29 4.92 -0.06 1.68 1.01 -0.95 0.24 120.40 128.52 1xqg s VAL 161 Ca 0.01 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1xqg s VAL 161 Cb -0.15 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1xqg s VAL 161 CO -0.10 0.45 0.02 -0.69 0.00 0.00 0.00 175.10 174.77 1xqg s VAL 162 N -0.34 0.20 -0.20 2.92 1.01 0.65 -1.87 120.40 122.76 1xqg s VAL 162 Ca 0.29 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1xqg s VAL 162 Cb -0.18 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1xqg s VAL 162 CO 0.16 0.23 -0.15 0.20 0.00 0.00 0.00 175.10 175.54 1xqg s ASN 163 N 1.98 3.61 -0.20 3.32 0.02 0.10 -1.61 114.94 122.18 1xqg s ASN 163 Ca 0.04 -0.71 -0.01 0.00 -1.02 0.00 0.00 52.86 51.17 1xqg s ASN 163 Cb -0.12 -1.56 0.05 0.00 0.02 0.00 0.00 41.25 39.65 1xqg s ASN 163 CO -0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 177.10 177.02 1xqg s ALA 164 N 1.31 1.46 -0.02 0.60 0.00 0.25 -0.84 121.76 124.51 1xqg s ALA 164 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1xqg s ALA 164 Cb -0.14 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1xqg s ALA 164 CO -0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 175.76 174.56 1xqg s ALA 165 N 1.64 0.51 0.25 0.00 0.00 -0.99 0.08 121.76 123.24 1xqg s ALA 165 Ca -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1xqg s ALA 165 Cb -0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1xqg s ALA 165 CO -0.07 0.03 0.08 1.52 0.00 0.00 0.00 175.76 177.32 1xqg s TYR 166 N 0.50 1.51 -0.30 0.00 -0.85 -0.39 -1.43 117.35 116.39 1xqg s TYR 166 Ca -0.06 -1.14 -0.12 0.00 -0.52 0.00 0.00 57.07 55.24 1xqg s TYR 166 Cb -0.09 -0.89 0.17 0.00 0.38 0.00 0.00 41.96 41.53 1xqg s TYR 166 CO -0.00 -0.29 0.92 0.12 -1.52 0.00 0.00 175.55 174.78 1xqg s PHE 167 N -3.71 -0.83 -0.49 -3.49 5.36 -0.74 -2.66 117.98 111.42 1xqg s PHE 167 Ca 0.35 1.16 -0.17 0.00 -0.96 0.00 0.00 56.93 57.32 1xqg s PHE 167 Cb 0.08 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 1xqg s PHE 167 CO 0.12 -0.43 0.47 0.08 -1.46 0.00 0.00 175.22 174.00 1xqg s VAL 168 N 2.70 5.13 0.34 3.12 1.01 -1.00 -1.84 120.40 129.86 1xqg s VAL 168 Ca 0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1xqg s VAL 168 Cb -0.09 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 1xqg s VAL 168 CO -0.16 -0.67 1.48 -0.83 0.00 0.00 0.00 175.10 174.92 1xqg s GLY 169 N 2.71 2.71 -0.23 4.51 0.00 -0.66 -4.39 107.32 111.97 1xqg s GLY 169 Ca 0.07 1.50 -0.01 0.00 0.00 0.00 0.00 44.72 46.28 1xqg s GLY 169 CO 0.08 2.28 0.01 1.25 0.00 0.00 0.00 173.10 176.72 1xqg s LYS 170 N -1.52 1.04 0.92 2.90 2.20 -1.26 -4.50 119.74 119.51 1xqg s LYS 170 Ca 0.55 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 1xqg s LYS 170 Cb -0.45 -2.29 0.14 0.00 -1.51 0.00 0.00 37.83 33.71 1xqg s LYS 170 CO 0.56 -0.69 1.09 -1.58 -0.36 0.00 0.00 175.35 174.38 1xqg s TRP 171 N 1.63 2.28 0.01 4.03 0.52 -0.87 -0.62 118.94 125.91 1xqg s TRP 171 Ca -0.01 1.18 -0.18 0.00 0.02 0.00 0.00 56.10 57.12 1xqg s TRP 171 Cb -0.18 -3.19 -0.32 0.00 -1.15 0.00 0.00 33.47 28.63 1xqg s TRP 171 CO -0.10 -2.50 0.99 1.98 0.02 0.00 0.00 176.95 177.34 1xqg h MET 172 N -1.62 0.47 -4.94 4.98 1.85 -1.62 -1.88 114.93 112.18 1xqg h MET 172 Ca -0.51 -0.75 -0.66 0.00 -0.61 0.00 0.00 59.70 57.18 1xqg h MET 172 Cb 1.29 0.27 -0.26 0.00 0.43 0.00 0.00 31.60 33.34 1xqg h MET 172 CO 0.55 1.35 -0.67 0.15 -0.40 0.00 0.00 176.91 177.89 1xqg s LYS 173 N -2.66 3.39 0.52 0.39 1.02 -1.26 -3.43 119.74 117.72 1xqg s LYS 173 Ca -0.11 -0.64 -0.09 0.00 0.02 0.00 0.00 55.97 55.16 1xqg s LYS 173 Cb 0.03 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 1xqg s LYS 173 CO 0.90 -0.25 0.88 -1.59 -0.92 0.00 0.00 175.35 174.37 1xqg s LYS 174 N 1.52 3.63 -0.16 1.68 -2.85 -0.98 -4.85 119.74 117.73 1xqg s LYS 174 Ca 0.05 0.48 -0.08 0.00 -1.00 0.00 0.00 55.97 55.43 1xqg s LYS 174 Cb -0.15 -2.26 -0.04 0.00 -2.06 0.00 0.00 37.83 33.32 1xqg s LYS 174 CO 0.00 -0.31 0.09 -0.06 0.10 0.00 0.00 175.35 175.18 1xqg s PHE 175 N -2.82 3.37 -0.03 1.78 0.40 -0.55 -5.00 117.98 115.13 1xqg s PHE 175 Ca 0.51 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.82 1xqg s PHE 175 Cb -0.10 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 1xqg s PHE 175 CO 0.45 0.37 1.34 0.45 0.70 0.00 0.00 175.22 178.52 1xqg s SER 176 N -0.10 6.91 0.41 1.36 0.15 -1.26 -4.69 113.70 116.48 1xqg s SER 176 Ca 0.08 2.00 0.28 0.00 0.70 0.00 0.00 55.95 59.01 1xqg s SER 176 Cb -0.12 -2.56 1.49 0.00 -1.71 0.00 0.00 66.02 63.12 1xqg s SER 176 CO 0.01 -0.68 1.85 -0.33 1.20 0.00 0.00 173.24 175.29 1xqg h GLU 177 N 7.78 0.00 0.00 5.44 5.08 -1.95 0.95 114.58 131.88 1xqg h GLU 177 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xqg h GLU 177 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xqg h GLU 177 CO 0.90 0.00 -0.08 -1.13 -1.00 0.00 0.00 179.01 177.70 1xqg n SER 178 N -2.48 0.24 -1.33 1.42 3.41 -1.26 -3.00 113.62 110.61 1xqg n SER 178 Ca -0.02 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1xqg n SER 178 Cb 0.06 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 63.87 1xqg n SER 178 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xqg n GLU 179 N -1.67 2.69 -3.36 4.33 -0.58 0.33 -4.87 120.64 117.50 1xqg n GLU 179 Ca 0.06 -2.61 -0.39 0.00 -0.42 0.00 0.00 57.16 53.81 1xqg n GLU 179 Cb 0.36 -1.57 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1xqg n GLU 179 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1xqg s THR 180 N -1.11 5.17 0.12 2.62 2.01 -1.16 -2.83 115.64 120.45 1xqg s THR 180 Ca 0.48 0.72 0.09 0.00 0.31 0.00 0.00 61.69 63.28 1xqg s THR 180 Cb 0.25 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1xqg s THR 180 CO 0.34 0.21 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.72 1xqg s LYS 181 N 1.60 1.20 -0.25 4.92 1.02 -0.43 -4.94 119.74 122.86 1xqg s LYS 181 Ca 0.19 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 54.71 1xqg s LYS 181 Cb -0.15 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 1xqg s LYS 181 CO 0.09 0.34 0.79 -1.21 -0.92 0.00 0.00 175.35 174.44 1xqg s GLU 182 N -2.07 4.17 0.14 1.68 2.02 -1.26 -0.28 118.70 123.09 1xqg s GLU 182 Ca 0.09 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 55.86 1xqg s GLU 182 Cb -0.09 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 1xqg s GLU 182 CO 0.05 -0.51 0.25 -1.54 0.02 0.00 0.00 175.26 173.54 1xqg s SER 183 N 1.37 0.07 0.23 -0.19 1.04 -0.42 -4.95 113.70 110.86 1xqg s SER 183 Ca 0.33 -0.82 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 1xqg s SER 183 Cb -0.15 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 1xqg s SER 183 CO 0.08 -0.84 1.19 -2.16 0.98 0.00 0.00 173.24 172.49 1xqg s PRO 184 N -3.94 4.51 -0.26 4.02 0.04 -1.26 -0.77 135.00 137.33 1xqg s PRO 184 Ca 0.14 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1xqg s PRO 184 Cb 0.04 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1xqg s PRO 184 CO -0.03 -0.03 -0.04 0.12 0.04 0.00 0.00 177.00 177.06 1xqg s PHE 185 N -0.48 3.10 0.55 0.56 5.36 0.25 -4.86 117.98 122.45 1xqg s PHE 185 Ca 0.50 -1.52 -0.21 0.00 -0.96 0.00 0.00 56.93 54.74 1xqg s PHE 185 Cb -0.34 -2.09 -0.05 0.00 -0.34 0.00 0.00 43.02 40.21 1xqg s PHE 185 CO 0.40 -0.72 1.24 1.03 -1.46 0.00 0.00 175.22 175.71 1xqg s ARG 186 N 1.34 3.21 0.00 10.12 0.52 -0.55 -0.98 118.95 132.61 1xqg s ARG 186 Ca -0.00 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 1xqg s ARG 186 Cb -0.17 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1xqg s ARG 186 CO -0.03 -1.04 0.22 1.33 0.02 0.00 0.00 175.30 175.79 1xqg n VAL 187 N -1.16 0.00 -3.89 3.52 0.24 0.29 -4.09 118.33 113.25 1xqg n VAL 187 Ca 0.11 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 61.94 1xqg n VAL 187 Cb 0.48 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.92 1xqg n VAL 187 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xqg s ASN 188 N -0.45 0.00 0.30 -1.34 2.20 -1.21 -4.46 114.94 109.98 1xqg s ASN 188 Ca 0.00 -0.62 0.01 0.00 -0.94 0.00 0.00 52.86 51.30 1xqg s ASN 188 Cb 0.00 0.47 0.72 0.00 -2.00 0.00 0.00 41.25 40.43 1xqg s ASN 188 CO 0.00 -0.92 1.57 0.11 -2.94 0.00 0.00 177.10 174.92 1xqg h LYS 189 N 2.00 0.01 0.00 3.55 1.57 -1.78 -3.31 116.57 118.61 1xqg h LYS 189 Ca -0.27 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1xqg h LYS 189 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1xqg h LYS 189 CO 0.35 0.01 -1.43 0.25 -0.57 0.00 0.00 179.45 178.06 1xqg n THR 190 N -5.50 0.43 -2.99 -0.16 -2.24 -1.26 -5.03 114.28 97.53 1xqg n THR 190 Ca 0.22 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 1xqg n THR 190 Cb 0.73 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1xqg n THR 190 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xqg s ASP 191 N -4.09 7.24 0.36 3.42 1.01 -1.25 -4.98 116.67 118.38 1xqg s ASP 191 Ca -0.06 1.59 0.04 0.00 0.71 0.00 0.00 52.55 54.84 1xqg s ASP 191 Cb 0.02 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1xqg s ASP 191 CO 0.23 0.07 0.14 0.42 0.21 0.00 0.00 175.17 176.25 1xqg s THR 192 N -1.41 0.52 -0.09 -1.27 -4.23 -1.26 -0.54 115.64 107.35 1xqg s THR 192 Ca 0.42 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 1xqg s THR 192 Cb -0.19 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1xqg s THR 192 CO 0.24 0.00 0.37 -0.54 -0.54 0.00 0.00 174.62 174.14 1xqg s LYS 193 N -3.74 0.55 0.57 3.99 1.02 -0.15 -4.88 119.74 117.10 1xqg s LYS 193 Ca 0.30 0.25 -0.20 0.00 0.02 0.00 0.00 55.97 56.34 1xqg s LYS 193 Cb 0.04 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.57 1xqg s LYS 193 CO 0.17 -0.11 1.26 -2.14 -0.92 0.00 0.00 175.35 173.60 1xqg s PRO 194 N -0.43 3.06 0.25 -1.68 0.02 -1.26 0.86 135.00 135.82 1xqg s PRO 194 Ca -0.06 1.98 -0.18 0.00 0.02 0.00 0.00 61.00 62.76 1xqg s PRO 194 Cb -0.03 -2.07 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1xqg s PRO 194 CO 0.02 -1.18 0.60 0.54 -0.33 0.00 0.00 177.00 176.66 1xqg s VAL 195 N -1.47 0.01 -0.51 3.83 0.11 0.05 -4.77 120.40 117.64 1xqg s VAL 195 Ca 0.75 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.62 1xqg s VAL 195 Cb -0.34 -1.91 0.10 0.00 -1.53 0.00 0.00 36.38 32.70 1xqg s VAL 195 CO 0.39 -0.03 0.46 -1.58 -3.33 0.00 0.00 175.10 171.01 1xqg s GLN 196 N -3.93 2.99 -0.32 1.54 2.00 -1.26 -1.29 119.66 119.39 1xqg s GLN 196 Ca 0.13 -1.49 -0.20 0.00 -2.00 0.00 0.00 55.36 51.80 1xqg s GLN 196 Cb -0.03 -4.21 -0.01 0.00 0.80 0.00 0.00 33.01 29.56 1xqg s GLN 196 CO 0.04 -1.18 0.62 -1.64 -0.50 0.00 0.00 175.29 172.64 1xqg s MET 197 N 1.69 3.84 -0.01 1.67 -1.94 0.61 0.38 119.30 125.54 1xqg s MET 197 Ca 0.04 0.22 -0.26 0.00 -1.71 0.00 0.00 55.69 53.98 1xqg s MET 197 Cb -0.27 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.78 1xqg s MET 197 CO 0.05 -0.61 0.80 -1.64 -0.01 0.00 0.00 175.02 173.61 1xqg s MET 198 N 2.62 4.50 0.18 2.03 1.00 -0.41 -1.32 119.30 127.90 1xqg s MET 198 Ca 0.25 1.10 0.09 0.00 0.00 0.00 0.00 55.69 57.12 1xqg s MET 198 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 34.83 31.22 1xqg s MET 198 CO 0.13 0.11 -0.19 -0.80 0.00 0.00 0.00 175.02 174.26 1xqg s ASN 199 N 0.56 2.87 0.00 3.03 0.01 -1.13 -1.60 114.94 118.67 1xqg s ASN 199 Ca 0.42 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1xqg s ASN 199 Cb -0.20 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.28 1xqg s ASN 199 CO 0.23 -0.00 0.00 1.15 -1.51 0.00 0.00 177.10 176.96 1xqg n MET 200 N 0.24 0.00 -3.90 -0.60 0.00 -0.54 -4.50 117.12 107.83 1xqg n MET 200 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.22 1xqg n MET 200 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.65 1xqg n MET 200 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1xqg s GLU 201 N -1.87 3.35 0.39 3.17 2.12 -1.26 -1.49 118.70 123.11 1xqg s GLU 201 Ca 0.00 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.55 1xqg s GLU 201 Cb 0.00 -3.02 0.05 0.00 0.26 0.00 0.00 34.13 31.42 1xqg s GLU 201 CO 0.00 -0.21 0.75 0.00 -0.54 0.00 0.00 175.26 175.25 1xqg n ALA 202 N 4.79 -1.58 -2.60 6.30 0.00 -0.60 -4.93 120.51 121.89 1xqg n ALA 202 Ca -0.18 -1.30 -0.40 0.00 0.00 0.00 0.00 53.44 51.56 1xqg n ALA 202 Cb 0.51 1.03 -0.08 0.00 0.00 0.00 0.00 19.45 20.91 1xqg n ALA 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xqg s THR 203 N -2.20 5.08 0.09 0.00 2.01 -1.26 0.11 115.64 119.47 1xqg s THR 203 Ca 0.17 0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.86 1xqg s THR 203 Cb -0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1xqg s THR 203 CO 0.13 0.01 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.58 1xqg s PHE 204 N 2.28 1.23 -0.18 4.92 0.08 -0.46 -4.90 117.98 120.95 1xqg s PHE 204 Ca 0.19 -0.54 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 1xqg s PHE 204 Cb -0.16 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.62 1xqg s PHE 204 CO 0.11 0.07 0.85 0.45 -0.10 0.00 0.00 175.22 176.59 1xqg s SER 205 N -2.17 6.95 0.00 1.36 0.15 -1.26 -1.45 113.70 117.28 1xqg s SER 205 Ca 0.04 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1xqg s SER 205 Cb -0.06 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1xqg s SER 205 CO 0.02 -0.44 0.00 1.15 1.20 0.00 0.00 173.24 175.17 1xqg n MET 206 N 5.43 0.00 0.00 5.44 0.00 -1.22 -0.65 117.12 126.12 1xqg n MET 206 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1xqg n MET 206 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 1xqg n MET 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xqg n GLY 207 N 0.00 0.60 3.46 3.17 0.00 -0.32 -2.07 105.19 110.03 1xqg n GLY 207 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1xqg n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xqg s ASN 208 N 0.00 4.19 -0.75 1.61 0.02 -1.26 -1.32 114.94 117.44 1xqg s ASN 208 Ca 0.00 -0.21 -0.01 0.00 -1.02 0.00 0.00 52.86 51.62 1xqg s ASN 208 Cb 0.00 -1.26 0.19 0.00 0.02 0.00 0.00 41.25 40.20 1xqg s ASN 208 CO 0.00 0.27 0.58 -0.63 0.02 0.00 0.00 177.10 177.34 1xqg s ILE 209 N -0.26 3.82 0.23 0.60 1.01 0.17 -4.94 121.20 121.83 1xqg s ILE 209 Ca 0.02 -3.55 -0.07 0.00 0.00 0.00 0.00 60.65 57.05 1xqg s ILE 209 Cb -0.13 -3.44 0.20 0.00 0.01 0.00 0.00 42.46 39.10 1xqg s ILE 209 CO 0.03 -0.98 1.70 0.44 0.00 0.00 0.00 174.94 176.12 1xqg h ASP 210 N 6.34 0.03 -1.01 3.58 3.32 -1.95 -2.07 116.42 124.66 1xqg h ASP 210 Ca 0.08 0.13 0.37 0.00 0.02 0.00 0.00 57.03 57.63 1xqg h ASP 210 Cb 0.86 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.46 1xqg h ASP 210 CO 0.77 -0.00 0.63 -0.24 -1.72 0.00 0.00 179.24 178.67 1xqg n SER 211 N -5.13 0.20 -0.57 6.45 2.88 -1.26 0.11 113.62 116.30 1xqg n SER 211 Ca 0.12 1.18 0.06 0.00 -1.33 0.00 0.00 58.87 58.90 1xqg n SER 211 Cb 0.40 -0.58 0.11 0.00 -0.75 0.00 0.00 64.21 63.39 1xqg n SER 211 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1xqg n ILE 212 N -4.46 1.29 -4.06 2.46 -5.35 -0.84 -5.02 119.36 103.37 1xqg n ILE 212 Ca 0.32 -1.91 -0.46 0.00 -0.27 0.00 0.00 62.75 60.43 1xqg n ILE 212 Cb 1.19 0.12 0.02 0.00 -1.74 0.00 0.00 39.64 39.23 1xqg n ILE 212 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xqg n ASN 213 N -0.72 -4.18 -4.07 7.28 5.15 0.29 -4.86 115.26 114.15 1xqg n ASN 213 Ca 0.12 -1.28 -0.10 0.00 -0.60 0.00 0.00 54.58 52.72 1xqg n ASN 213 Cb 0.76 -1.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 1xqg n ASN 213 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1xqg s SER 214 N -3.48 0.02 0.15 1.20 0.01 -0.87 -2.04 113.70 108.69 1xqg s SER 214 Ca 0.45 -1.09 0.10 0.00 1.31 0.00 0.00 55.95 56.72 1xqg s SER 214 Cb -0.25 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1xqg s SER 214 CO 0.97 -0.99 -0.20 -0.54 0.41 0.00 0.00 173.24 172.89 1xqg s LYS 215 N -4.06 1.68 -0.04 12.44 1.02 0.35 0.44 119.74 131.56 1xqg s LYS 215 Ca 0.28 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 54.97 1xqg s LYS 215 Cb 0.03 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1xqg s LYS 215 CO 0.09 0.45 -0.11 -1.50 -0.92 0.00 0.00 175.35 173.36 1xqg s ILE 216 N -1.35 0.93 0.11 2.17 1.10 -0.43 -1.25 121.20 122.46 1xqg s ILE 216 Ca 0.19 -0.42 0.03 0.00 -0.51 0.00 0.00 60.65 59.94 1xqg s ILE 216 Cb -0.09 -0.83 -0.04 0.00 0.15 0.00 0.00 42.46 41.65 1xqg s ILE 216 CO 0.10 0.29 -0.09 -0.51 -2.11 0.00 0.00 174.94 172.61 1xqg s ILE 217 N 0.28 0.93 -0.27 2.00 2.07 -0.69 -1.17 121.20 124.34 1xqg s ILE 217 Ca -0.05 -1.77 0.03 0.00 -1.41 0.00 0.00 60.65 57.45 1xqg s ILE 217 Cb -0.10 -1.50 0.07 0.00 0.13 0.00 0.00 42.46 41.05 1xqg s ILE 217 CO 0.01 -0.65 -0.09 -0.70 -1.91 0.00 0.00 174.94 171.60 1xqg s GLU 218 N -3.15 2.14 -0.53 3.50 2.12 0.18 -2.27 118.70 120.68 1xqg s GLU 218 Ca 0.08 -1.42 -0.15 0.00 0.36 0.00 0.00 54.97 53.85 1xqg s GLU 218 Cb -0.00 -2.94 0.13 0.00 0.26 0.00 0.00 34.13 31.58 1xqg s GLU 218 CO -0.01 -0.62 0.48 -0.51 -0.54 0.00 0.00 175.26 174.06 1xqg s LEU 219 N 1.08 6.11 0.32 2.70 1.43 0.14 -4.20 118.68 126.26 1xqg s LEU 219 Ca -0.06 -1.81 -0.27 0.00 -1.03 0.00 0.00 54.13 50.95 1xqg s LEU 219 Cb -0.20 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1xqg s LEU 219 CO -0.05 -0.83 1.03 -2.16 0.23 0.00 0.00 176.35 174.57 1xqg s PRO 220 N 1.56 4.53 0.72 1.29 0.04 -1.26 0.58 135.00 142.45 1xqg s PRO 220 Ca 0.03 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 1xqg s PRO 220 Cb -0.29 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1xqg s PRO 220 CO 0.02 0.17 1.05 -0.06 0.04 0.00 0.00 177.00 178.22 1xqg s PHE 221 N -1.39 2.96 -0.07 0.56 0.08 0.14 -2.37 117.98 117.90 1xqg s PHE 221 Ca 0.49 0.56 -0.39 0.00 0.12 0.00 0.00 56.93 57.70 1xqg s PHE 221 Cb -0.26 -3.23 -0.18 0.00 -0.57 0.00 0.00 43.02 38.78 1xqg s PHE 221 CO 0.33 -1.45 1.39 0.94 -0.10 0.00 0.00 175.22 176.32 1xqg n GLN 222 N -3.00 0.77 -1.37 0.44 7.27 0.21 -0.22 117.38 121.48 1xqg n GLN 222 Ca 0.08 0.28 -0.13 0.00 0.07 0.00 0.00 57.00 57.30 1xqg n GLN 222 Cb 0.60 -1.88 -0.06 0.00 2.41 0.00 0.00 30.24 31.32 1xqg n GLN 222 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1xqg n ASN 223 N 3.01 -4.74 -1.54 1.69 5.03 -1.26 -3.88 115.26 113.57 1xqg n ASN 223 Ca 0.22 0.32 -0.10 0.00 0.87 0.00 0.00 54.58 55.88 1xqg n ASN 223 Cb 0.13 -3.37 -0.04 0.00 -1.02 0.00 0.00 39.78 35.48 1xqg n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1xqg n LYS 224 N -2.37 -1.46 -0.12 3.52 5.02 0.70 -4.82 118.16 118.63 1xqg n LYS 224 Ca -0.13 0.59 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1xqg n LYS 224 Cb 0.45 -4.87 -0.02 0.00 -0.02 0.00 0.00 35.03 30.58 1xqg n LYS 224 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xqg h HIS 225 N 0.00 1.12 -4.30 2.13 3.86 -1.75 -3.43 115.15 112.78 1xqg h HIS 225 Ca -0.22 -0.33 -0.58 0.00 -1.16 0.00 0.00 60.37 58.08 1xqg h HIS 225 Cb 0.78 -0.24 -0.30 0.00 1.06 0.00 0.00 27.41 28.72 1xqg h HIS 225 CO 0.38 1.16 -0.85 -0.51 0.86 0.00 0.00 177.93 178.98 1xqg s LEU 226 N -8.88 2.02 0.12 2.43 1.02 -1.26 -2.54 118.68 111.59 1xqg s LEU 226 Ca -0.11 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 53.77 1xqg s LEU 226 Cb 0.11 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.29 1xqg s LEU 226 CO 0.88 0.22 -0.19 -0.44 0.02 0.00 0.00 176.35 176.84 1xqg s SER 227 N -0.37 2.47 -0.15 2.29 0.01 -0.60 0.28 113.70 117.63 1xqg s SER 227 Ca 0.05 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1xqg s SER 227 Cb -0.08 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1xqg s SER 227 CO -0.00 0.01 -0.08 -0.32 0.41 0.00 0.00 173.24 173.26 1xqg s MET 228 N -2.14 3.51 -0.23 12.44 1.75 0.20 -0.81 119.30 134.01 1xqg s MET 228 Ca 0.08 -0.61 -0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1xqg s MET 228 Cb -0.09 -2.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.77 1xqg s MET 228 CO 0.05 0.17 -0.03 -0.06 -0.65 0.00 0.00 175.02 174.50 1xqg s PHE 229 N 0.50 2.98 -0.19 4.11 0.40 0.18 0.28 117.98 126.24 1xqg s PHE 229 Ca -0.06 -0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 55.34 1xqg s PHE 229 Cb -0.15 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1xqg s PHE 229 CO 0.03 -0.52 0.05 0.42 0.70 0.00 0.00 175.22 175.90 1xqg s ILE 230 N 1.50 4.56 -0.50 0.64 1.01 -0.96 -1.71 121.20 125.74 1xqg s ILE 230 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1xqg s ILE 230 Cb -0.14 -3.06 0.13 0.00 0.01 0.00 0.00 42.46 39.40 1xqg s ILE 230 CO -0.02 0.44 0.31 -0.22 0.00 0.00 0.00 174.94 175.46 1xqg s LEU 231 N 0.58 5.37 -0.16 2.97 2.96 0.31 -1.71 118.68 129.01 1xqg s LEU 231 Ca 0.02 -2.27 -0.04 0.00 -0.22 0.00 0.00 54.13 51.62 1xqg s LEU 231 Cb -0.13 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1xqg s LEU 231 CO 0.01 -0.52 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.28 1xqg s LEU 232 N 0.80 3.34 0.64 -0.68 2.96 -0.38 -2.66 118.68 122.70 1xqg s LEU 232 Ca 0.11 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 1xqg s LEU 232 Cb -0.22 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1xqg s LEU 232 CO -0.03 0.18 1.10 -2.84 -1.32 0.00 0.00 176.35 173.43 1xqg s PRO 233 N 0.33 2.94 0.50 0.98 0.02 -1.26 -0.50 135.00 138.01 1xqg s PRO 233 Ca -0.03 1.36 0.32 0.00 0.02 0.00 0.00 61.00 62.67 1xqg s PRO 233 Cb -0.14 -1.97 1.28 0.00 0.02 0.00 0.00 34.50 33.69 1xqg s PRO 233 CO 0.02 -1.14 1.93 0.87 -0.33 0.00 0.00 177.00 178.36 1xqg h LYS 234 N 0.18 0.00 -2.17 5.54 1.57 -1.74 -3.45 116.57 116.50 1xqg h LYS 234 Ca -0.47 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.49 1xqg h LYS 234 Cb 1.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 1xqg h LYS 234 CO 0.55 0.00 0.55 0.34 -0.57 0.00 0.00 179.45 180.32 1xqg s ASP 235 N -5.45 -0.21 -0.66 0.86 3.68 -1.26 -5.11 116.67 108.52 1xqg s ASP 235 Ca 0.02 -0.25 -0.25 0.00 2.13 0.00 0.00 52.55 54.20 1xqg s ASP 235 Cb 0.09 0.40 0.04 0.00 -1.45 0.00 0.00 42.92 42.01 1xqg s ASP 235 CO 0.52 -0.72 1.12 -0.69 0.13 0.00 0.00 175.17 175.53 1xqg s VAL 236 N -3.09 4.06 -0.60 1.11 1.01 -1.26 -4.92 120.40 116.71 1xqg s VAL 236 Ca 0.11 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1xqg s VAL 236 Cb -0.00 -4.76 0.43 0.00 0.00 0.00 0.00 36.38 32.05 1xqg s VAL 236 CO -0.02 -1.54 1.78 -0.62 0.00 0.00 0.00 175.10 174.70 1xqg n GLU 237 N 8.42 2.97 -3.79 2.72 4.71 -1.26 -4.78 120.64 129.63 1xqg n GLU 237 Ca 0.01 -3.62 -0.03 0.00 -0.01 0.00 0.00 57.16 53.52 1xqg n GLU 237 Cb 0.48 -2.28 -0.00 0.00 -1.01 0.00 0.00 31.44 28.62 1xqg n GLU 237 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1xqg s ASP 238 N -2.24 -0.11 0.00 1.62 1.47 -1.26 -4.96 116.67 111.20 1xqg s ASP 238 Ca 0.58 -0.49 0.10 0.00 1.18 0.00 0.00 52.55 53.92 1xqg s ASP 238 Cb 0.47 0.48 0.51 0.00 -0.34 0.00 0.00 42.92 44.04 1xqg s ASP 238 CO -0.08 -0.92 1.23 -0.62 0.68 0.00 0.00 175.17 175.46 1xqg n GLU 239 N -0.54 0.13 0.00 2.11 -0.58 -1.26 -4.47 120.64 116.03 1xqg n GLU 239 Ca -0.05 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1xqg n GLU 239 Cb 0.60 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1xqg n GLU 239 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xqg n SER 240 N -1.31 0.00 -0.01 1.62 3.41 -1.26 -4.91 113.62 111.16 1xqg n SER 240 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.71 1xqg n SER 240 Cb 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.90 1xqg n SER 240 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xqg n THR 241 N 0.00 0.56 0.00 6.66 -2.24 -1.26 -4.00 114.28 113.99 1xqg n THR 241 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1xqg n THR 241 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1xqg n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqg n GLY 242 N 1.37 1.06 0.82 3.38 0.00 -1.26 -4.51 105.19 106.04 1xqg n GLY 242 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1xqg n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xqg n LEU 243 N 0.00 2.37 -0.19 0.99 4.77 -1.26 -4.47 117.00 119.21 1xqg n LEU 243 Ca 0.00 -1.16 -0.05 0.00 -0.03 0.00 0.00 56.01 54.77 1xqg n LEU 243 Cb 0.00 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1xqg n LEU 243 CO 0.00 0.58 1.08 -0.33 -1.33 0.00 0.00 177.39 177.39 1xqg h GLU 244 N 2.67 0.65 -0.04 3.23 5.08 -1.96 -1.34 114.58 122.87 1xqg h GLU 244 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xqg h GLU 244 Cb 0.61 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xqg h GLU 244 CO 0.00 0.43 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.19 1xqg h LYS 245 N 0.67 0.09 -0.58 2.33 3.64 -1.97 -2.31 116.57 118.45 1xqg h LYS 245 Ca 0.23 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1xqg h LYS 245 Cb 0.03 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.75 1xqg h LYS 245 CO -0.10 0.54 0.00 0.82 -2.27 0.00 0.00 179.45 178.44 1xqg h ILE 246 N -0.35 0.53 -0.22 2.00 2.04 -1.83 -0.08 117.51 119.60 1xqg h ILE 246 Ca 0.01 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1xqg h ILE 246 Cb 0.52 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xqg h ILE 246 CO 0.01 0.02 -0.11 -0.33 0.00 0.00 0.00 178.15 177.74 1xqg h GLU 247 N 0.12 0.36 0.00 2.37 5.08 -1.23 -0.03 114.58 121.26 1xqg h GLU 247 Ca 0.30 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xqg h GLU 247 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xqg h GLU 247 CO -0.49 0.48 0.00 -0.22 -1.00 0.00 0.00 179.01 177.78 1xqg h LYS 248 N 0.34 0.00 -0.13 2.33 3.64 -0.46 -3.15 116.57 119.14 1xqg h LYS 248 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xqg h LYS 248 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1xqg h LYS 248 CO 0.02 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.24 1xqg n GLN 249 N -2.57 1.36 -2.74 1.90 6.02 -0.61 -4.99 117.38 115.76 1xqg n GLN 249 Ca 0.04 -1.44 -0.42 0.00 -0.01 0.00 0.00 57.00 55.16 1xqg n GLN 249 Cb 0.40 -1.21 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 1xqg n GLN 249 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1xqg s LEU 250 N -0.89 4.13 0.18 1.08 2.96 -0.07 -4.75 118.68 121.32 1xqg s LEU 250 Ca 0.15 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 55.23 1xqg s LEU 250 Cb 0.09 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1xqg s LEU 250 CO 0.13 -0.57 0.41 0.54 -1.32 0.00 0.00 176.35 175.54 1xqg s ASN 251 N 1.21 -0.12 0.43 3.68 2.20 -1.26 -4.98 114.94 116.10 1xqg s ASN 251 Ca 0.42 -0.66 0.26 0.00 -0.94 0.00 0.00 52.86 51.93 1xqg s ASN 251 Cb -0.16 0.51 1.30 0.00 -2.00 0.00 0.00 41.25 40.90 1xqg s ASN 251 CO 0.09 -0.98 1.69 0.77 -2.94 0.00 0.00 177.10 175.74 1xqg h SER 252 N 2.36 0.31 0.11 3.54 4.64 -1.88 0.18 113.55 122.81 1xqg h SER 252 Ca -0.30 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1xqg h SER 252 Cb 1.25 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xqg h SER 252 CO 0.42 -0.06 -0.05 -0.08 -0.87 0.00 0.00 176.83 176.19 1xqg h GLU 253 N 0.21 -0.14 -0.99 4.77 4.81 -1.97 -3.29 114.58 117.98 1xqg h GLU 253 Ca 0.71 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 60.07 1xqg h GLU 253 Cb 2.12 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 31.45 1xqg h GLU 253 CO -0.34 -0.10 0.62 0.66 -0.73 0.00 0.00 179.01 179.12 1xqg h SER 254 N -0.66 0.91 -0.69 1.04 4.64 -1.75 -0.51 113.55 116.53 1xqg h SER 254 Ca -0.02 0.04 0.14 0.00 -0.47 0.00 0.00 61.79 61.49 1xqg h SER 254 Cb 0.11 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 1xqg h SER 254 CO 0.03 0.50 0.47 0.25 -0.87 0.00 0.00 176.83 177.20 1xqg h LEU 255 N 0.99 0.32 -0.05 5.97 7.12 -0.81 0.03 115.31 128.88 1xqg h LEU 255 Ca 0.48 0.02 -0.21 0.00 0.13 0.00 0.00 57.88 58.30 1xqg h LEU 255 Cb 0.45 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1xqg h LEU 255 CO -0.26 0.17 -0.78 -1.28 -0.13 0.00 0.00 178.44 176.16 1xqg h SER 256 N 0.34 0.77 -0.04 1.25 0.87 -1.16 -3.00 113.55 112.58 1xqg h SER 256 Ca 0.33 -0.71 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1xqg h SER 256 Cb 0.83 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1xqg h SER 256 CO -0.09 1.37 0.00 1.56 -0.53 0.00 0.00 176.83 179.14 1xqg h GLN 257 N 0.24 0.07 -0.20 2.24 4.20 -1.12 -2.82 115.11 117.72 1xqg h GLN 257 Ca -0.08 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1xqg h GLN 257 Cb 1.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1xqg h GLN 257 CO 0.16 0.32 0.24 -1.49 -0.67 0.00 0.00 178.83 177.39 1xqg h TRP 258 N -0.20 0.00 -0.31 2.96 6.55 -1.10 -2.64 115.95 121.22 1xqg h TRP 258 Ca 0.01 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.62 1xqg h TRP 258 Cb 0.29 0.00 -0.19 0.00 -0.86 0.00 0.00 29.16 28.40 1xqg h TRP 258 CO 0.02 0.00 -0.65 0.25 -1.05 0.00 0.00 178.44 177.01 1xqg n THR 259 N -3.69 2.28 -3.08 1.49 -2.24 -1.12 -4.88 114.28 103.04 1xqg n THR 259 Ca 0.02 -3.58 -0.43 0.00 -2.27 0.00 0.00 64.05 57.79 1xqg n THR 259 Cb 0.36 -0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1xqg n THR 259 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xqg s ASN 260 N -3.37 6.32 0.63 3.42 2.47 -1.00 -4.95 114.94 118.46 1xqg s ASN 260 Ca 0.43 -0.38 0.42 0.00 0.42 0.00 0.00 52.86 53.75 1xqg s ASN 260 Cb 0.39 -2.33 2.25 0.00 -1.45 0.00 0.00 41.25 40.10 1xqg s ASN 260 CO -0.03 -0.84 2.28 1.55 -3.72 0.00 0.00 177.10 176.35 1xqg h PRO 261 N 8.93 0.00 -0.06 0.43 0.13 -1.91 -2.32 132.00 137.20 1xqg h PRO 261 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1xqg h PRO 261 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1xqg h PRO 261 CO 0.92 0.00 -0.43 0.77 -0.23 0.00 0.00 178.00 179.03 1xqg h SER 262 N 0.00 0.15 0.18 1.44 0.02 -1.99 -2.64 113.55 110.71 1xqg h SER 262 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1xqg h SER 262 Cb 0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1xqg h SER 262 CO 0.00 0.57 -0.17 0.35 -1.14 0.00 0.00 176.83 176.43 1xqg n THR 263 N -4.01 0.00 -3.42 -2.27 -2.24 -0.87 -4.90 114.28 96.56 1xqg n THR 263 Ca -0.02 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1xqg n THR 263 Cb 0.48 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1xqg n THR 263 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1xqg s MET 264 N -2.36 3.30 -0.14 -0.78 -1.94 -1.00 -4.96 119.30 111.41 1xqg s MET 264 Ca 0.29 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.56 1xqg s MET 264 Cb 0.20 -2.72 0.04 0.00 2.01 0.00 0.00 34.83 34.37 1xqg s MET 264 CO 0.47 0.08 0.36 0.00 -0.01 0.00 0.00 175.02 175.92 1xqg s ALA 265 N -2.28 -0.90 0.30 3.03 0.00 -0.88 -4.90 121.76 116.13 1xqg s ALA 265 Ca 0.42 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 53.29 1xqg s ALA 265 Cb -0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 23.12 22.18 1xqg s ALA 265 CO 0.34 -0.20 0.61 0.09 0.00 0.00 0.00 175.76 176.60 1xqg n ASN 266 N 3.45 -0.65 -3.53 0.00 3.02 -1.26 -3.45 115.26 112.85 1xqg n ASN 266 Ca -0.18 1.05 -0.18 0.00 -0.03 0.00 0.00 54.58 55.25 1xqg n ASN 266 Cb 0.56 -1.08 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1xqg n ASN 266 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xqg s ALA 267 N -1.21 -1.77 -0.14 5.41 0.00 -0.53 -4.71 121.76 118.81 1xqg s ALA 267 Ca 0.62 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.66 1xqg s ALA 267 Cb -0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1xqg s ALA 267 CO 0.58 -0.37 1.25 0.21 0.00 0.00 0.00 175.76 177.43 1xqg s LYS 268 N -1.07 4.26 -0.05 0.00 2.47 -0.29 -1.35 119.74 123.72 1xqg s LYS 268 Ca -0.10 1.66 0.06 0.00 -1.56 0.00 0.00 55.97 56.03 1xqg s LYS 268 Cb -0.00 -3.71 -0.02 0.00 -1.46 0.00 0.00 37.83 32.64 1xqg s LYS 268 CO 0.09 -0.64 -0.23 0.08 0.16 0.00 0.00 175.35 174.81 1xqg s VAL 269 N 3.15 2.23 -1.23 4.02 1.01 0.31 -1.83 120.40 128.06 1xqg s VAL 269 Ca 0.55 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1xqg s VAL 269 Cb -0.22 -1.81 0.20 0.00 0.00 0.00 0.00 36.38 34.54 1xqg s VAL 269 CO 0.17 0.57 1.73 0.29 0.00 0.00 0.00 175.10 177.86 1xqg n LYS 270 N 2.74 3.79 -2.34 2.72 5.02 -0.94 -1.56 118.16 127.59 1xqg n LYS 270 Ca -0.17 -3.81 -0.41 0.00 -2.02 0.00 0.00 58.31 51.90 1xqg n LYS 270 Cb 0.52 -2.83 -0.03 0.00 -0.02 0.00 0.00 35.03 32.66 1xqg n LYS 270 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xqg s LEU 271 N -0.59 4.47 -0.28 -0.35 2.96 -0.55 -3.16 118.68 121.18 1xqg s LEU 271 Ca 0.38 2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 56.62 1xqg s LEU 271 Cb 0.07 -3.62 0.17 0.00 0.50 0.00 0.00 46.19 43.30 1xqg s LEU 271 CO 0.02 -0.35 0.52 -0.94 -1.32 0.00 0.00 176.35 174.29 1xqg s SER 272 N -0.29 -0.80 0.12 3.68 1.04 -0.58 -1.46 113.70 115.41 1xqg s SER 272 Ca 0.50 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.65 1xqg s SER 272 Cb -0.34 1.79 -0.04 0.00 0.10 0.00 0.00 66.02 67.53 1xqg s SER 272 CO 0.41 -0.27 -0.16 0.27 0.98 0.00 0.00 173.24 174.47 1xqg s ILE 273 N 2.75 1.47 0.35 -1.02 -4.36 -0.63 -1.14 121.20 118.62 1xqg s ILE 273 Ca 0.18 -1.69 -0.28 0.00 -0.26 0.00 0.00 60.65 58.59 1xqg s ILE 273 Cb -0.15 -1.55 -0.11 0.00 1.25 0.00 0.00 42.46 41.90 1xqg s ILE 273 CO -0.19 -0.32 1.40 -2.16 0.24 0.00 0.00 174.94 173.91 1xqg s PRO 274 N -2.49 4.23 -0.72 0.37 0.04 -1.25 -1.29 135.00 133.90 1xqg s PRO 274 Ca 0.09 2.39 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1xqg s PRO 274 Cb -0.06 -3.02 0.08 0.00 0.04 0.00 0.00 34.50 31.53 1xqg s PRO 274 CO 0.04 -0.37 1.02 0.21 0.04 0.00 0.00 177.00 177.95 1xqg s LYS 275 N -1.84 3.20 0.37 4.56 2.20 0.16 -4.85 119.74 123.55 1xqg s LYS 275 Ca 0.51 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1xqg s LYS 275 Cb -0.43 -4.37 -0.07 0.00 -1.51 0.00 0.00 37.83 31.45 1xqg s LYS 275 CO 0.57 -1.85 -0.02 -0.59 -0.36 0.00 0.00 175.35 173.11 1xqg s PHE 276 N 4.00 2.39 -0.21 4.03 -0.71 -1.16 -4.56 117.98 121.75 1xqg s PHE 276 Ca 0.25 -0.66 -0.04 0.00 -1.04 0.00 0.00 56.93 55.45 1xqg s PHE 276 Cb -0.14 -1.57 0.11 0.00 -1.21 0.00 0.00 43.02 40.20 1xqg s PHE 276 CO 0.07 0.42 0.29 0.21 -1.34 0.00 0.00 175.22 174.88 1xqg s LYS 277 N -3.70 0.25 -0.13 1.99 2.20 -1.26 0.11 119.74 119.20 1xqg s LYS 277 Ca 0.34 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 1xqg s LYS 277 Cb 0.07 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1xqg s LYS 277 CO 0.17 -0.60 -0.22 0.08 -0.36 0.00 0.00 175.35 174.42 1xqg s VAL 278 N 2.43 2.16 -0.20 4.02 1.01 0.37 -4.97 120.40 125.22 1xqg s VAL 278 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1xqg s VAL 278 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1xqg s VAL 278 CO -0.13 0.55 -0.13 -0.70 0.00 0.00 0.00 175.10 174.68 1xqg s GLU 279 N 0.63 2.37 -0.07 2.72 2.12 -1.26 -0.78 118.70 124.43 1xqg s GLU 279 Ca -0.11 -0.93 0.02 0.00 0.36 0.00 0.00 54.97 54.32 1xqg s GLU 279 Cb -0.16 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.70 1xqg s GLU 279 CO 0.02 -0.38 -0.14 0.15 -0.54 0.00 0.00 175.26 174.37 1xqg s LYS 280 N 1.31 1.90 -0.14 4.30 -0.14 -0.43 -5.01 119.74 121.53 1xqg s LYS 280 Ca -0.01 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 1xqg s LYS 280 Cb -0.16 -1.54 -0.03 0.00 -1.68 0.00 0.00 37.83 34.42 1xqg s LYS 280 CO -0.09 0.05 -0.03 1.41 -0.76 0.00 0.00 175.35 175.92 1xqg s MET 281 N 0.62 3.48 0.09 1.68 -2.45 -1.26 -2.06 119.30 119.40 1xqg s MET 281 Ca -0.15 -0.50 0.04 0.00 -1.25 0.00 0.00 55.69 53.82 1xqg s MET 281 Cb -0.16 -2.87 -0.03 0.00 1.25 0.00 0.00 34.83 33.02 1xqg s MET 281 CO 0.04 0.35 -0.11 0.96 1.05 0.00 0.00 175.02 177.32 1xqg s ILE 282 N 0.06 0.94 -0.64 10.11 -4.36 0.08 -5.01 121.20 122.39 1xqg s ILE 282 Ca 0.00 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1xqg s ILE 282 Cb -0.13 -1.25 0.16 0.00 1.25 0.00 0.00 42.46 42.48 1xqg s ILE 282 CO 0.03 -0.49 0.43 -0.62 0.24 0.00 0.00 174.94 174.53 1xqg s ASP 283 N -2.26 4.92 0.00 4.36 2.15 -1.26 -3.07 116.67 121.51 1xqg s ASP 283 Ca 0.03 -3.20 0.03 0.00 0.43 0.00 0.00 52.55 49.84 1xqg s ASP 283 Cb -0.05 -1.75 0.19 0.00 -0.30 0.00 0.00 42.92 41.02 1xqg s ASP 283 CO 0.01 -0.24 0.66 -0.81 -0.17 0.00 0.00 175.17 174.61 1xqg n PRO 284 N 2.93 0.10 -0.02 4.34 -0.04 -1.26 -3.80 135.00 137.24 1xqg n PRO 284 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1xqg n PRO 284 Cb 0.35 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1xqg n PRO 284 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xqg h LYS 285 N 0.00 -0.38 -0.30 0.54 3.11 -1.92 0.91 116.57 118.53 1xqg h LYS 285 Ca 0.00 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1xqg h LYS 285 Cb 0.00 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1xqg h LYS 285 CO 0.00 -0.25 0.16 0.00 -2.81 0.00 0.00 179.45 176.55 1xqg h ALA 286 N -0.59 0.37 -0.48 5.00 0.00 -2.00 -2.28 119.26 119.27 1xqg h ALA 286 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xqg h ALA 286 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xqg h ALA 286 CO -0.33 -0.21 0.16 0.77 0.00 0.00 0.00 179.25 179.64 1xqg h SER 287 N 0.34 0.63 0.57 0.00 0.02 -1.75 -2.19 113.55 111.17 1xqg h SER 287 Ca 0.12 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 1xqg h SER 287 Cb 0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1xqg h SER 287 CO -0.07 0.59 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.48 1xqg h LEU 288 N 0.68 0.10 -0.69 5.07 3.38 -0.62 -2.58 115.31 120.66 1xqg h LEU 288 Ca 0.16 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1xqg h LEU 288 Cb 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1xqg h LEU 288 CO -0.01 0.74 -0.03 -0.33 0.09 0.00 0.00 178.44 178.91 1xqg h GLU 289 N 0.06 0.98 -0.53 1.13 5.08 -0.82 -0.16 114.58 120.33 1xqg h GLU 289 Ca -0.01 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1xqg h GLU 289 Cb 1.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1xqg h GLU 289 CO 0.09 0.98 -0.11 -0.91 -1.00 0.00 0.00 179.01 178.07 1xqg h ASN 290 N 0.90 1.01 0.69 1.42 2.35 -1.37 -2.81 115.58 117.76 1xqg h ASN 290 Ca 0.16 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1xqg h ASN 290 Cb 0.56 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1xqg h ASN 290 CO 0.03 1.13 0.00 0.18 -1.65 0.00 0.00 177.43 177.12 1xqg n LEU 291 N -4.17 0.66 0.00 1.61 4.77 -0.98 -4.88 117.00 114.01 1xqg n LEU 291 Ca 0.01 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1xqg n LEU 291 Cb 0.40 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1xqg n LEU 291 CO 0.45 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1xqg n GLY 292 N -0.08 1.37 3.56 -0.72 0.00 -0.81 -4.82 105.19 103.69 1xqg n GLY 292 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1xqg n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xqg s LEU 293 N 0.00 3.27 -0.05 0.99 1.43 -0.14 -4.77 118.68 119.42 1xqg s LEU 293 Ca 0.00 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1xqg s LEU 293 Cb 0.00 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1xqg s LEU 293 CO 0.00 -2.20 -0.11 0.29 0.23 0.00 0.00 176.35 174.56 1xqg n LYS 294 N 9.07 0.16 0.28 1.70 5.02 -1.26 -3.82 118.16 129.31 1xqg n LYS 294 Ca 0.25 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1xqg n LYS 294 Cb 0.50 -0.75 0.80 0.00 -0.02 0.00 0.00 35.03 35.56 1xqg n LYS 294 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xqg h HIS 295 N -0.31 0.00 -0.56 2.13 3.86 -1.91 -3.04 115.15 115.32 1xqg h HIS 295 Ca 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1xqg h HIS 295 Cb 0.31 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1xqg h HIS 295 CO -0.13 0.04 0.38 0.97 0.86 0.00 0.00 177.93 180.05 1xqg h ILE 296 N 0.00 0.88 0.00 2.45 2.10 -1.88 -1.91 117.51 119.16 1xqg h ILE 296 Ca -0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1xqg h ILE 296 Cb 0.10 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 1xqg h ILE 296 CO 0.01 0.06 -1.30 0.49 -1.08 0.00 0.00 178.15 176.33 1xqg n PHE 297 N -4.46 0.43 -2.35 2.19 3.72 -1.15 -1.94 117.46 113.90 1xqg n PHE 297 Ca 0.09 0.13 -0.43 0.00 -0.05 0.00 0.00 57.45 57.19 1xqg n PHE 297 Cb 0.38 -0.63 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 1xqg n PHE 297 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xqg s SER 298 N -4.59 6.90 0.00 4.37 0.15 -0.73 -4.71 113.70 115.09 1xqg s SER 298 Ca -0.01 1.81 0.09 0.00 0.70 0.00 0.00 55.95 58.54 1xqg s SER 298 Cb 0.13 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.45 1xqg s SER 298 CO 0.83 -0.77 1.34 1.21 1.20 0.00 0.00 173.24 177.05 1xqg n GLU 299 N 6.50 0.98 0.00 5.44 2.13 -1.26 -1.32 120.64 133.11 1xqg n GLU 299 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1xqg n GLU 299 Cb 0.45 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.01 1xqg n GLU 299 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xqg n ASP 300 N -0.65 0.44 0.00 4.31 9.92 -1.26 -4.34 116.55 124.97 1xqg n ASP 300 Ca 0.07 -1.09 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1xqg n ASP 300 Cb 0.03 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 1xqg n ASP 300 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1xqg n THR 301 N -0.04 0.00 -2.28 -3.53 -1.04 -1.15 -5.07 114.28 101.17 1xqg n THR 301 Ca 0.00 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1xqg n THR 301 Cb 0.22 0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1xqg n THR 301 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1xqg s SER 302 N -0.90 6.86 -0.60 8.00 1.04 -0.44 -4.86 113.70 122.81 1xqg s SER 302 Ca 0.00 2.47 0.05 0.00 0.48 0.00 0.00 55.95 58.95 1xqg s SER 302 Cb 0.00 -2.63 0.18 0.00 0.10 0.00 0.00 66.02 63.67 1xqg s SER 302 CO 0.00 -0.45 0.48 -0.67 0.98 0.00 0.00 173.24 173.58 1xqg n ASP 303 N 0.72 1.94 -1.95 7.02 4.64 -1.26 -4.88 116.55 122.78 1xqg n ASP 303 Ca 0.01 -2.97 -0.20 0.00 -1.38 0.00 0.00 54.79 50.25 1xqg n ASP 303 Cb 0.44 -0.68 0.08 0.00 -1.04 0.00 0.00 41.12 39.91 1xqg n ASP 303 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1xqg n PHE 304 N 2.05 2.09 0.24 -0.67 3.72 -1.26 -0.98 117.46 122.65 1xqg n PHE 304 Ca 0.24 -1.98 0.11 0.00 -0.05 0.00 0.00 57.45 55.77 1xqg n PHE 304 Cb 0.40 -0.97 0.70 0.00 -0.94 0.00 0.00 39.48 38.68 1xqg n PHE 304 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xqg h SER 305 N 1.27 0.00 0.07 4.37 4.64 -1.70 -0.74 113.55 121.46 1xqg h SER 305 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1xqg h SER 305 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1xqg h SER 305 CO 0.93 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 1xqg n GLY 306 N -1.51 -0.39 0.00 -0.77 0.00 -1.23 -2.92 105.19 98.38 1xqg n GLY 306 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xqg n GLY 306 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1xqg n MET 307 N -1.27 0.70 -3.58 1.61 0.00 -0.38 -4.45 117.12 109.75 1xqg n MET 307 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.61 1xqg n MET 307 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 33.22 33.14 1xqg n MET 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1xqg s SER 308 N -0.02 -0.39 -0.03 3.17 0.15 -0.65 -1.40 113.70 114.52 1xqg s SER 308 Ca 0.00 0.49 0.13 0.00 0.70 0.00 0.00 55.95 57.27 1xqg s SER 308 Cb 0.00 0.40 0.40 0.00 -1.71 0.00 0.00 66.02 65.11 1xqg s SER 308 CO 0.00 -0.32 1.34 -1.84 1.20 0.00 0.00 173.24 173.62 1xqg n GLU 309 N 0.97 2.92 -2.60 5.44 0.28 -1.26 -3.57 120.64 122.82 1xqg n GLU 309 Ca -0.11 -2.28 -0.42 0.00 -0.16 0.00 0.00 57.16 54.19 1xqg n GLU 309 Cb 0.58 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 32.01 1xqg n GLU 309 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1xqg s THR 310 N -1.27 4.06 0.86 3.84 2.01 -1.26 -4.99 115.64 118.90 1xqg s THR 310 Ca 0.31 -1.17 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 1xqg s THR 310 Cb 0.18 -5.07 -0.11 0.00 0.01 0.00 0.00 72.50 67.51 1xqg s THR 310 CO 0.18 -1.92 -0.34 0.29 -0.69 0.00 0.00 174.62 172.14 1xqg n LYS 311 N 8.49 -0.01 -1.56 4.92 4.76 -1.26 -3.49 118.16 130.01 1xqg n LYS 311 Ca 0.36 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.76 1xqg n LYS 311 Cb 0.49 -1.23 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1xqg n LYS 311 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xqg n GLY 312 N 2.79 0.51 3.64 0.72 0.00 -1.26 -5.03 105.19 106.56 1xqg n GLY 312 Ca 0.03 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1xqg n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqg s VAL 313 N -2.22 4.23 0.30 1.61 0.11 -1.23 -4.94 120.40 118.26 1xqg s VAL 313 Ca 0.00 -0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 58.60 1xqg s VAL 313 Cb 0.00 -2.79 0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1xqg s VAL 313 CO 0.00 0.58 0.70 0.00 -3.33 0.00 0.00 175.10 173.04 1xqg s ALA 314 N -0.58 -0.95 -0.31 1.54 0.00 -1.26 -4.63 121.76 115.58 1xqg s ALA 314 Ca 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1xqg s ALA 314 Cb -0.12 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1xqg s ALA 314 CO 0.02 -1.00 1.66 -1.17 0.00 0.00 0.00 175.76 175.27 1xqg s LEU 315 N -2.97 3.65 -0.00 0.00 2.96 -0.82 -3.44 118.68 118.06 1xqg s LEU 315 Ca 0.14 1.32 -0.09 0.00 -0.22 0.00 0.00 54.13 55.28 1xqg s LEU 315 Cb -0.05 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1xqg s LEU 315 CO 0.08 -1.49 0.70 0.28 -1.32 0.00 0.00 176.35 174.60 1xqg h SER 316 N 11.69 -0.26 -4.99 3.68 0.02 -1.06 -3.42 113.55 119.21 1xqg h SER 316 Ca -0.32 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 1xqg h SER 316 Cb 1.15 0.07 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 1xqg h SER 316 CO 1.03 -0.10 -0.55 0.21 -1.14 0.00 0.00 176.83 176.28 1xqg s ASN 317 N -3.32 0.09 -0.18 3.07 2.47 -1.22 -5.06 114.94 110.78 1xqg s ASN 317 Ca -0.05 -0.30 -0.00 0.00 0.42 0.00 0.00 52.86 52.93 1xqg s ASN 317 Cb 0.00 0.18 0.01 0.00 -1.45 0.00 0.00 41.25 39.99 1xqg s ASN 317 CO 0.14 -0.36 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.31 1xqg s VAL 318 N -1.48 2.49 -0.29 -5.21 1.01 -1.26 -2.25 120.40 113.41 1xqg s VAL 318 Ca -0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1xqg s VAL 318 Cb -0.08 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1xqg s VAL 318 CO 0.01 0.51 0.00 -0.63 0.00 0.00 0.00 175.10 174.99 1xqg s ILE 319 N 1.22 3.11 -0.21 2.22 1.01 -0.78 -4.55 121.20 123.22 1xqg s ILE 319 Ca 0.02 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.44 1xqg s ILE 319 Cb -0.14 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1xqg s ILE 319 CO -0.07 -0.05 -0.16 -2.28 0.00 0.00 0.00 174.94 172.37 1xqg s HIS 320 N 1.30 2.94 -0.12 3.97 2.46 -1.17 0.03 115.29 124.69 1xqg s HIS 320 Ca -0.03 -1.89 -0.02 0.00 0.47 0.00 0.00 55.06 53.59 1xqg s HIS 320 Cb -0.19 -1.91 0.04 0.00 -0.13 0.00 0.00 32.58 30.39 1xqg s HIS 320 CO -0.01 -0.83 0.01 0.15 -2.47 0.00 0.00 174.74 171.59 1xqg s LYS 321 N 1.23 0.66 0.03 2.88 1.02 -0.02 -0.74 119.74 124.81 1xqg s LYS 321 Ca -0.00 -0.12 0.09 0.00 0.02 0.00 0.00 55.97 55.96 1xqg s LYS 321 Cb -0.16 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 1xqg s LYS 321 CO -0.10 -0.44 -0.26 0.08 -0.92 0.00 0.00 175.35 173.71 1xqg s VAL 322 N 1.92 2.11 -0.01 3.17 1.01 -0.87 -2.34 120.40 125.37 1xqg s VAL 322 Ca 0.03 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1xqg s VAL 322 Cb -0.14 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1xqg s VAL 322 CO -0.07 0.40 -0.12 -0.55 0.00 0.00 0.00 175.10 174.77 1xqg s SER 323 N -1.12 1.39 -0.05 3.32 0.15 -0.51 -1.32 113.70 115.56 1xqg s SER 323 Ca 0.11 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 1xqg s SER 323 Cb -0.10 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1xqg s SER 323 CO 0.01 0.13 0.07 -0.22 1.20 0.00 0.00 173.24 174.43 1xqg s LEU 324 N -0.15 0.13 -0.14 3.45 2.96 0.04 -1.79 118.68 123.18 1xqg s LEU 324 Ca 0.02 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1xqg s LEU 324 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 1xqg s LEU 324 CO -0.00 -0.25 -0.15 -0.70 -1.32 0.00 0.00 176.35 173.94 1xqg s GLU 325 N 2.16 3.29 -0.24 1.98 2.12 -0.77 -0.48 118.70 126.77 1xqg s GLU 325 Ca 0.04 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.63 1xqg s GLU 325 Cb -0.12 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.69 1xqg s GLU 325 CO -0.03 0.13 -0.06 0.42 -0.54 0.00 0.00 175.26 175.18 1xqg s ILE 326 N 0.54 2.91 0.00 -3.70 -1.09 0.29 -1.66 121.20 118.49 1xqg s ILE 326 Ca -0.09 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 1xqg s ILE 326 Cb -0.16 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 1xqg s ILE 326 CO 0.04 0.22 0.00 0.35 -1.23 0.00 0.00 174.94 174.32 1xqg n THR 327 N 4.68 0.00 1.34 2.92 -2.24 -1.26 -2.99 114.28 116.73 1xqg n THR 327 Ca -0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1xqg n THR 327 Cb 0.47 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.27 1xqg n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xqg n GLU 328 N 0.00 0.61 -1.78 -0.78 4.71 -1.26 -4.87 120.64 117.27 1xqg n GLU 328 Ca 0.00 -0.23 -0.38 0.00 -0.01 0.00 0.00 57.16 56.55 1xqg n GLU 328 Cb 0.00 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 28.99 1xqg n GLU 328 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xqg s ASP 329 N -2.54 5.02 0.00 1.62 2.15 -1.26 -1.48 116.67 120.17 1xqg s ASP 329 Ca 0.26 2.69 0.00 0.00 0.43 0.00 0.00 52.55 55.94 1xqg s ASP 329 Cb 0.20 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1xqg s ASP 329 CO 0.50 -1.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 1xqg n GLY 330 N 0.78 3.14 3.76 2.66 0.00 -1.26 -2.06 105.19 112.20 1xqg n GLY 330 Ca 0.13 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1xqg n GLY 330 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xqg s GLY 331 N 0.00 1.65 0.63 -0.02 0.00 -0.71 -4.31 107.32 104.56 1xqg s GLY 331 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 1xqg s GLY 331 CO 0.00 -0.16 0.97 0.99 0.00 0.00 0.00 173.10 174.90 1xqg s ASP 332 N -4.25 5.54 -0.20 1.64 1.01 -1.26 -2.31 116.67 116.84 1xqg s ASP 332 Ca 0.70 0.86 -0.17 0.00 0.71 0.00 0.00 52.55 54.65 1xqg s ASP 332 Cb -0.09 -1.78 0.06 0.00 1.01 0.00 0.00 42.92 42.11 1xqg s ASP 332 CO 0.54 -1.16 0.53 -0.55 0.21 0.00 0.00 175.17 174.75 1xqg s SER 333 N -4.32 -0.59 0.07 0.27 0.15 -1.26 -4.81 113.70 103.21 1xqg s SER 333 Ca 0.55 1.09 -0.30 0.00 0.70 0.00 0.00 55.95 57.99 1xqg s SER 333 Cb -0.11 1.07 -0.06 0.00 -1.71 0.00 0.00 66.02 65.22 1xqg s SER 333 CO 0.47 -0.19 1.16 -0.63 1.20 0.00 0.00 173.24 175.25 1xqg s ILE 334 N 0.58 4.08 -0.11 6.45 1.01 -1.26 -5.03 121.20 126.92 1xqg s ILE 334 Ca -0.02 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.15 1xqg s ILE 334 Cb -0.05 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1xqg s ILE 334 CO -0.03 0.14 -0.04 -1.61 0.00 0.00 0.00 174.94 173.41 1xqg s GLU 335 N 0.81 3.24 0.41 2.79 0.41 -1.26 -5.06 118.70 120.05 1xqg s GLU 335 Ca 0.56 -0.50 -0.23 0.00 -0.41 0.00 0.00 54.97 54.40 1xqg s GLU 335 Cb -0.29 -2.80 -0.12 0.00 -1.78 0.00 0.00 34.13 29.15 1xqg s GLU 335 CO 0.30 0.48 0.69 1.33 -0.49 0.00 0.00 175.26 177.58 1xqg n VAL 336 N 2.80 2.01 -0.31 2.63 0.24 -1.26 -4.84 118.33 119.61 1xqg n VAL 336 Ca -0.18 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1xqg n VAL 336 Cb 0.53 -0.71 0.32 0.00 -1.47 0.00 0.00 33.84 32.51 1xqg n VAL 336 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1xqg h PRO 337 N 1.04 0.23 -3.04 7.34 0.11 -2.05 -3.39 132.00 132.23 1xqg h PRO 337 Ca -0.41 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 1xqg h PRO 337 Cb 1.38 -0.05 -0.30 0.00 0.11 0.00 0.00 31.00 32.14 1xqg h PRO 337 CO 0.53 0.15 -0.49 0.20 -0.21 0.00 0.00 178.00 178.18 1xqg s GLY 338 N -3.98 -0.14 -0.01 -0.55 0.00 -1.26 -5.04 107.32 96.34 1xqg s GLY 338 Ca -0.12 0.98 0.24 0.00 0.00 0.00 0.00 44.72 45.82 1xqg s GLY 338 CO 0.78 1.23 1.17 0.00 0.00 0.00 0.00 173.10 176.27 1xqg n ALA 339 N 4.21 2.43 -0.10 3.20 0.00 -1.26 -4.74 120.51 124.25 1xqg n ALA 339 Ca -0.25 -2.36 -0.14 0.00 0.00 0.00 0.00 53.44 50.68 1xqg n ALA 339 Cb 0.53 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 1xqg n ALA 339 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1xqg n ARG 340 N 0.38 0.51 0.11 0.00 0.00 -1.26 -4.08 116.66 112.32 1xqg n ARG 340 Ca 0.07 0.21 0.09 0.00 -0.00 0.00 0.00 57.85 58.21 1xqg n ARG 340 Cb 1.10 -1.39 0.01 0.00 -0.00 0.00 0.00 32.46 32.19 1xqg n ARG 340 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1xqg h ILE 341 N -0.93 0.16 -0.50 8.89 2.10 -1.99 -3.32 117.51 121.91 1xqg h ILE 341 Ca -0.21 -1.28 -0.25 0.00 1.08 0.00 0.00 64.86 64.20 1xqg h ILE 341 Cb 1.13 1.75 -0.15 0.00 -1.09 0.00 0.00 36.82 38.47 1xqg h ILE 341 CO -0.12 0.09 0.09 0.18 -1.08 0.00 0.00 178.15 177.31 1xqg n LEU 342 N -2.83 4.75 -3.64 2.19 4.77 -1.26 -4.93 117.00 116.04 1xqg n LEU 342 Ca -0.01 -3.72 -0.05 0.00 -0.03 0.00 0.00 56.01 52.20 1xqg n LEU 342 Cb 0.62 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1xqg n LEU 342 CO 0.40 1.19 0.98 -1.58 -1.33 0.00 0.00 177.39 177.05 1xqg s GLN 343 N -3.25 0.24 0.32 3.23 0.74 -1.25 -4.87 119.66 114.82 1xqg s GLN 343 Ca 0.48 0.29 -0.28 0.00 0.05 0.00 0.00 55.36 55.90 1xqg s GLN 343 Cb 0.42 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.55 1xqg s GLN 343 CO 0.03 -0.03 1.08 -1.58 -0.55 0.00 0.00 175.29 174.24 1xqg s HIS 344 N 0.19 3.48 -1.02 1.67 5.65 -1.26 -4.24 115.29 119.76 1xqg s HIS 344 Ca 0.05 1.69 -0.03 0.00 0.25 0.00 0.00 55.06 57.01 1xqg s HIS 344 Cb -0.05 -3.22 0.29 0.00 -1.18 0.00 0.00 32.58 28.42 1xqg s HIS 344 CO -0.12 -0.56 1.32 1.63 -0.65 0.00 0.00 174.74 176.36 1xqg n LYS 345 N 0.74 4.06 -1.86 2.88 5.02 -1.26 -1.13 118.16 126.61 1xqg n LYS 345 Ca 0.01 -4.56 -0.29 0.00 -2.02 0.00 0.00 58.31 51.44 1xqg n LYS 345 Cb 0.46 -2.48 0.15 0.00 -0.02 0.00 0.00 35.03 33.15 1xqg n LYS 345 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xqg s ASP 346 N -1.51 3.59 -0.08 4.39 -1.08 -0.76 -4.89 116.67 116.33 1xqg s ASP 346 Ca 0.32 0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 52.82 1xqg s ASP 346 Cb 0.04 -0.78 0.03 0.00 -1.46 0.00 0.00 42.92 40.76 1xqg s ASP 346 CO 0.06 -2.46 0.20 -1.83 0.52 0.00 0.00 175.17 171.67 1xqg s GLU 347 N -5.71 0.19 -0.39 4.34 -1.05 -1.26 -2.21 118.70 112.60 1xqg s GLU 347 Ca 0.69 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.90 1xqg s GLU 347 Cb -0.07 -0.04 0.11 0.00 -0.44 0.00 0.00 34.13 33.68 1xqg s GLU 347 CO 0.52 -0.11 0.15 -1.17 0.95 0.00 0.00 175.26 175.60 1xqg s LEU 348 N 0.78 5.02 -0.84 1.83 2.96 -1.19 -4.89 118.68 122.35 1xqg s LEU 348 Ca -0.06 -2.15 -0.09 0.00 -0.22 0.00 0.00 54.13 51.62 1xqg s LEU 348 Cb -0.07 -1.74 0.22 0.00 0.50 0.00 0.00 46.19 45.09 1xqg s LEU 348 CO -0.04 -0.46 0.75 0.21 -1.32 0.00 0.00 176.35 175.48 1xqg s ASN 349 N 1.33 6.37 -1.20 3.68 3.04 -1.26 -1.53 114.94 125.37 1xqg s ASN 349 Ca 0.10 -3.04 -0.18 0.00 0.04 0.00 0.00 52.86 49.79 1xqg s ASN 349 Cb -0.21 -2.08 -0.03 0.00 -1.54 0.00 0.00 41.25 37.39 1xqg s ASN 349 CO -0.06 -0.42 2.06 0.00 -3.04 0.00 0.00 177.10 175.64 1xqg n ALA 350 N 3.40 4.35 -1.31 1.71 0.00 -0.29 -4.51 120.51 123.85 1xqg n ALA 350 Ca 0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 53.44 49.91 1xqg n ALA 350 Cb 0.42 -3.58 0.21 0.00 0.00 0.00 0.00 19.45 16.51 1xqg n ALA 350 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xqg n ASP 351 N 7.35 3.05 -3.44 0.00 5.75 -1.26 -3.96 116.55 124.04 1xqg n ASP 351 Ca 0.50 -3.59 -0.12 0.00 -0.01 0.00 0.00 54.79 51.58 1xqg n ASP 351 Cb 0.41 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1xqg n ASP 351 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xqg s HIS 352 N -3.17 -0.52 0.08 2.11 -3.43 -1.26 -1.48 115.29 107.62 1xqg s HIS 352 Ca 0.47 0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 54.74 1xqg s HIS 352 Cb 0.41 0.55 -0.16 0.00 -1.43 0.00 0.00 32.58 31.96 1xqg s HIS 352 CO 0.04 -0.85 0.68 -2.30 -2.00 0.00 0.00 174.74 170.30 1xqg n PRO 353 N -0.38 0.00 -3.70 -0.38 -0.02 -1.26 -4.99 135.00 124.28 1xqg n PRO 353 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1xqg n PRO 353 Cb 0.65 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 33.00 1xqg n PRO 353 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1xqg s PHE 354 N -0.39 -0.20 0.12 6.00 -0.12 -0.91 -4.59 117.98 117.90 1xqg s PHE 354 Ca 0.66 0.08 0.03 0.00 -0.05 0.00 0.00 56.93 57.65 1xqg s PHE 354 Cb -0.93 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1xqg s PHE 354 CO 0.47 -0.56 0.18 0.42 -0.05 0.00 0.00 175.22 175.68 1xqg s ILE 355 N -2.69 4.91 0.09 -4.49 1.01 -1.09 -1.65 121.20 117.30 1xqg s ILE 355 Ca -0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 1xqg s ILE 355 Cb -0.00 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 39.05 1xqg s ILE 355 CO -0.04 0.00 0.45 -0.72 0.00 0.00 0.00 174.94 174.63 1xqg s TYR 356 N -1.61 -0.30 -0.03 3.97 1.13 -0.49 -0.53 117.35 119.49 1xqg s TYR 356 Ca 0.32 0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 56.10 1xqg s TYR 356 Cb -0.11 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.05 1xqg s TYR 356 CO 0.25 -0.67 0.08 0.96 -2.51 0.00 0.00 175.55 173.66 1xqg s ILE 357 N -3.19 -0.00 -0.34 -3.49 -4.36 -0.70 -1.50 121.20 107.61 1xqg s ILE 357 Ca -0.01 0.01 -0.08 0.00 -0.26 0.00 0.00 60.65 60.31 1xqg s ILE 357 Cb 0.00 -0.12 0.03 0.00 1.25 0.00 0.00 42.46 43.62 1xqg s ILE 357 CO -0.08 0.00 0.14 -0.63 0.24 0.00 0.00 174.94 174.62 1xqg s ILE 358 N 0.10 4.15 0.15 8.37 1.01 0.75 -0.65 121.20 135.08 1xqg s ILE 358 Ca -0.00 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1xqg s ILE 358 Cb -0.01 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1xqg s ILE 358 CO -0.00 -0.15 0.23 -0.60 0.00 0.00 0.00 174.94 174.42 1xqg s ARG 359 N 1.48 3.24 -0.61 2.79 3.52 0.01 -0.76 118.95 128.62 1xqg s ARG 359 Ca 0.01 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.74 1xqg s ARG 359 Cb -0.19 -2.85 0.14 0.00 -1.56 0.00 0.00 34.95 30.49 1xqg s ARG 359 CO 0.04 0.51 0.60 -1.58 -0.81 0.00 0.00 175.30 174.06 1xqg s HIS 360 N -1.74 3.27 0.28 5.12 5.65 0.71 -1.56 115.29 127.03 1xqg s HIS 360 Ca 0.33 -1.33 0.02 0.00 0.25 0.00 0.00 55.06 54.33 1xqg s HIS 360 Cb -0.11 -3.86 0.69 0.00 -1.18 0.00 0.00 32.58 28.12 1xqg s HIS 360 CO 0.27 -1.09 1.67 -0.91 -0.65 0.00 0.00 174.74 174.02 1xqg h ASN 361 N 8.78 0.10 0.57 9.88 2.35 -1.76 1.14 115.58 136.65 1xqg h ASN 361 Ca -0.22 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1xqg h ASN 361 Cb 1.09 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1xqg h ASN 361 CO 1.01 -0.10 -0.36 0.50 -1.65 0.00 0.00 177.43 176.83 1xqg h LYS 362 N 0.27 -0.85 0.00 0.81 3.64 -1.89 -3.21 116.57 115.35 1xqg h LYS 362 Ca 0.54 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1xqg h LYS 362 Cb 1.06 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xqg h LYS 362 CO -0.60 -0.56 -0.10 1.79 -2.27 0.00 0.00 179.45 177.71 1xqg h THR 363 N -0.88 0.00 0.00 1.00 1.35 -1.89 -3.47 112.91 109.02 1xqg h THR 363 Ca -0.08 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1xqg h THR 363 Cb 0.71 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1xqg h THR 363 CO 0.07 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.88 1xqg n ARG 364 N -2.50 0.00 -2.29 4.72 5.12 0.39 -4.84 116.66 117.27 1xqg n ARG 364 Ca 0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 1xqg n ARG 364 Cb 0.46 -2.67 -0.03 0.00 -1.16 0.00 0.00 32.46 29.06 1xqg n ARG 364 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1xqg s ASN 365 N -2.94 6.99 -0.25 0.55 -0.87 -1.18 -4.68 114.94 112.56 1xqg s ASN 365 Ca 0.00 2.41 -0.27 0.00 -1.57 0.00 0.00 52.86 53.43 1xqg s ASN 365 Cb 0.00 -2.62 0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1xqg s ASN 365 CO 0.00 -0.40 0.96 -0.63 -2.57 0.00 0.00 177.10 174.46 1xqg s ILE 366 N -0.55 4.71 -0.16 0.60 1.01 -1.26 -0.21 121.20 125.34 1xqg s ILE 366 Ca 0.51 1.77 -0.08 0.00 0.00 0.00 0.00 60.65 62.85 1xqg s ILE 366 Cb -0.35 -4.26 -0.23 0.00 0.01 0.00 0.00 42.46 37.63 1xqg s ILE 366 CO 0.42 -0.20 0.23 -0.38 0.00 0.00 0.00 174.94 175.01 1xqg n ILE 367 N 5.41 1.69 -4.34 2.92 2.08 0.06 -3.52 119.36 123.66 1xqg n ILE 367 Ca 0.09 -0.54 -0.23 0.00 0.56 0.00 0.00 62.75 62.64 1xqg n ILE 367 Cb 0.47 -1.74 -0.17 0.00 -0.75 0.00 0.00 39.64 37.45 1xqg n ILE 367 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1xqg s PHE 368 N -2.52 1.13 -0.03 1.39 0.08 -0.92 -3.97 117.98 113.13 1xqg s PHE 368 Ca -0.26 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.47 1xqg s PHE 368 Cb 0.07 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1xqg s PHE 368 CO 0.71 -0.26 -0.25 0.12 -0.10 0.00 0.00 175.22 175.44 1xqg s PHE 369 N 0.87 2.31 0.12 0.36 2.19 -0.36 -0.18 117.98 123.29 1xqg s PHE 369 Ca -0.11 -0.50 -0.25 0.00 0.33 0.00 0.00 56.93 56.39 1xqg s PHE 369 Cb -0.15 -1.50 0.08 0.00 -1.31 0.00 0.00 43.02 40.15 1xqg s PHE 369 CO 0.01 -0.08 1.09 0.20 1.83 0.00 0.00 175.22 178.27 1xqg s GLY 370 N -0.49 -0.08 0.02 13.12 0.00 -0.56 -1.50 107.32 117.83 1xqg s GLY 370 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1xqg s GLY 370 CO 0.00 1.97 -0.04 1.25 0.00 0.00 0.00 173.10 176.28 1xqg s LYS 371 N -2.44 0.33 -0.26 2.90 2.20 -0.69 -1.39 119.74 120.39 1xqg s LYS 371 Ca 0.20 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 1xqg s LYS 371 Cb -0.01 0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.40 1xqg s LYS 371 CO 0.02 -0.03 -0.01 0.12 -0.36 0.00 0.00 175.35 175.10 1xqg s PHE 372 N -1.33 2.49 -0.16 4.03 5.36 -0.66 -1.08 117.98 126.63 1xqg s PHE 372 Ca -0.14 -1.95 0.14 0.00 -0.96 0.00 0.00 56.93 54.03 1xqg s PHE 372 Cb -0.09 -1.82 -0.24 0.00 -0.34 0.00 0.00 43.02 40.53 1xqg s PHE 372 CO -0.01 -0.82 0.21 0.43 -1.46 0.00 0.00 175.22 173.58 1xqg n SER 373 N 4.64 0.51 0.00 6.13 7.64 -1.26 -2.14 113.62 129.14 1xqg n SER 373 Ca -0.08 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1xqg n SER 373 Cb 0.43 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1xqg n SER 373 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xqg n SER 374 N -2.91 0.00 -0.36 6.43 3.41 -1.26 -4.44 113.62 114.50 1xqg n SER 374 Ca -0.30 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1xqg n SER 374 Cb 1.11 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.69 1xqg n SER 374 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23