#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 -0.31 0.21 1.08 0.00 -1.26 -3.37 105.19 101.54 1xqg n GLY -1 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1xqg n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xqg h SER 0 N 0.00 0.00 0.08 1.61 4.64 -2.01 -2.96 113.55 114.90 1xqg h SER 0 Ca -0.14 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.89 1xqg h SER 0 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1xqg h SER 0 CO 0.01 0.08 -1.57 0.24 -0.87 0.00 0.00 176.83 174.72 1xqg h MET 1 N 0.00 0.17 -0.59 4.77 2.07 -1.88 -3.37 114.93 116.09 1xqg h MET 1 Ca -0.00 -0.28 0.17 0.00 -2.07 0.00 0.00 59.70 57.52 1xqg h MET 1 Cb 1.02 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.83 1xqg h MET 1 CO 0.01 1.14 0.44 0.22 1.07 0.00 0.00 176.91 179.78 1xqg h ASP 2 N -0.41 0.00 0.41 1.22 3.58 -1.56 0.36 116.42 120.02 1xqg h ASP 2 Ca -0.36 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.96 1xqg h ASP 2 Cb 1.70 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 1xqg h ASP 2 CO -0.02 0.00 -0.55 0.00 -2.88 0.00 0.00 179.24 175.78 1xqg h ALA 3 N 1.68 0.97 -0.05 -0.78 0.00 -1.68 -2.95 119.26 116.45 1xqg h ALA 3 Ca 0.28 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xqg h ALA 3 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xqg h ALA 3 CO -0.00 0.69 -0.03 1.25 0.00 0.00 0.00 179.25 181.16 1xqg h LEU 4 N 0.12 0.11 -1.70 0.00 5.85 -0.47 -2.26 115.31 116.96 1xqg h LEU 4 Ca -0.00 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1xqg h LEU 4 Cb 1.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1xqg h LEU 4 CO 0.08 0.54 0.27 0.06 -0.34 0.00 0.00 178.44 179.05 1xqg h GLN 5 N -0.32 0.37 -0.41 1.25 -0.00 -1.42 0.51 115.11 115.10 1xqg h GLN 5 Ca 0.01 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.52 1xqg h GLN 5 Cb 0.50 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.88 1xqg h GLN 5 CO 0.01 0.25 -0.22 -0.07 -0.00 0.00 0.00 178.83 178.79 1xqg h LEU 6 N 0.38 0.83 -0.08 0.06 3.38 -1.38 -0.27 115.31 118.24 1xqg h LEU 6 Ca 0.17 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xqg h LEU 6 Cb 0.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xqg h LEU 6 CO -0.04 1.02 -0.11 0.00 0.09 0.00 0.00 178.44 179.41 1xqg h ALA 7 N 1.04 0.12 -0.30 1.53 0.00 -0.38 -1.35 119.26 119.92 1xqg h ALA 7 Ca 0.10 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xqg h ALA 7 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xqg h ALA 7 CO 0.06 -0.03 0.21 -0.91 0.00 0.00 0.00 179.25 178.58 1xqg h ASN 8 N -0.23 0.14 0.68 0.00 -0.26 0.04 -1.02 115.58 114.94 1xqg h ASN 8 Ca 0.01 -0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.48 1xqg h ASN 8 Cb 0.65 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 1xqg h ASN 8 CO 0.02 0.10 -1.26 0.28 -1.06 0.00 0.00 177.43 175.51 1xqg h SER 9 N 0.16 0.29 -0.10 5.81 0.02 -0.95 -2.31 113.55 116.47 1xqg h SER 9 Ca 0.13 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xqg h SER 9 Cb 0.32 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1xqg h SER 9 CO -0.02 1.27 0.05 0.00 -1.14 0.00 0.00 176.83 176.99 1xqg h ALA 10 N 0.69 0.14 -0.76 3.77 0.00 -0.40 -2.47 119.26 120.22 1xqg h ALA 10 Ca -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xqg h ALA 10 Cb 1.93 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1xqg h ALA 10 CO 0.17 -0.30 0.38 0.35 0.00 0.00 0.00 179.25 179.85 1xqg h PHE 11 N 0.04 1.07 -0.11 0.00 3.57 -1.30 -1.90 116.94 118.30 1xqg h PHE 11 Ca 0.04 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1xqg h PHE 11 Cb 0.13 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1xqg h PHE 11 CO -0.03 0.77 -0.05 0.00 -2.23 0.00 0.00 178.31 176.77 1xqg h ALA 12 N 1.34 0.05 -0.22 2.41 0.00 -1.19 -0.28 119.26 121.38 1xqg h ALA 12 Ca 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1xqg h ALA 12 Cb 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xqg h ALA 12 CO -0.04 -0.51 0.09 0.28 0.00 0.00 0.00 179.25 179.08 1xqg h VAL 13 N -0.04 1.16 -0.72 0.00 2.07 -1.28 0.33 116.25 117.78 1xqg h VAL 13 Ca 0.06 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.22 1xqg h VAL 13 Cb 0.13 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1xqg h VAL 13 CO -0.14 0.16 0.28 0.44 0.02 0.00 0.00 177.57 178.33 1xqg h ASP 14 N 0.20 0.25 1.21 0.57 3.32 -1.00 0.10 116.42 121.07 1xqg h ASP 14 Ca 0.07 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1xqg h ASP 14 Cb 0.17 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xqg h ASP 14 CO -0.01 0.10 -0.57 0.25 -1.72 0.00 0.00 179.24 177.29 1xqg h LEU 15 N 0.43 0.00 -0.08 1.55 5.85 -0.87 -3.11 115.31 119.07 1xqg h LEU 15 Ca 0.39 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1xqg h LEU 15 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1xqg h LEU 15 CO -0.39 0.57 -0.01 0.15 -0.34 0.00 0.00 178.44 178.42 1xqg h PHE 16 N 0.00 0.18 -0.19 1.25 3.57 0.93 -1.28 116.94 121.40 1xqg h PHE 16 Ca -0.01 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1xqg h PHE 16 Cb 1.33 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1xqg h PHE 16 CO 0.00 0.46 0.16 0.87 -2.23 0.00 0.00 178.31 177.57 1xqg h LYS 17 N -0.16 0.00 0.03 1.11 1.57 -0.93 -0.81 116.57 117.38 1xqg h LYS 17 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xqg h LYS 17 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1xqg h LYS 17 CO 0.01 0.00 -0.01 0.37 -0.57 0.00 0.00 179.45 179.24 1xqg h GLN 18 N 0.00 -0.04 0.00 3.15 5.75 -1.42 -3.12 115.11 119.44 1xqg h GLN 18 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1xqg h GLN 18 Cb 0.40 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1xqg h GLN 18 CO -0.00 0.66 0.00 1.28 -2.65 0.00 0.00 178.83 178.12 1xqg n LEU 19 N -4.75 0.48 0.04 -2.39 4.77 -0.51 -2.25 117.00 112.38 1xqg n LEU 19 Ca -0.09 0.66 -0.17 0.00 -0.03 0.00 0.00 56.01 56.39 1xqg n LEU 19 Cb 0.35 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 1xqg n LEU 19 CO 0.31 -0.65 -0.46 -1.28 -1.33 0.00 0.00 177.39 173.98 1xqg h SER 20 N 0.00 0.34 0.31 -1.43 0.87 -1.20 -3.21 113.55 109.23 1xqg h SER 20 Ca 0.00 -0.56 -0.12 0.00 -1.23 0.00 0.00 61.79 59.89 1xqg h SER 20 Cb 0.19 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1xqg h SER 20 CO 0.00 1.48 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.97 1xqg h GLU 21 N 0.06 0.20 -0.40 2.24 5.08 -1.39 -0.70 114.58 119.68 1xqg h GLU 21 Ca -0.29 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1xqg h GLU 21 Cb 2.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 1xqg h GLU 21 CO 0.14 0.64 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.40 1xqg h LYS 22 N 0.16 0.74 -2.12 2.33 3.64 -1.63 -3.29 116.57 116.42 1xqg h LYS 22 Ca 0.01 -0.27 -0.58 0.00 -1.27 0.00 0.00 60.65 58.54 1xqg h LYS 22 Cb 0.91 -0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 32.27 1xqg h LYS 22 CO 0.07 0.86 -0.79 0.39 -2.27 0.00 0.00 179.45 177.71 1xqg n GLU 23 N -4.14 1.84 0.22 1.90 -0.58 -1.07 -4.96 120.64 113.84 1xqg n GLU 23 Ca 0.01 -4.12 0.18 0.00 -0.42 0.00 0.00 57.16 52.81 1xqg n GLU 23 Cb 0.39 -1.85 0.80 0.00 -0.57 0.00 0.00 31.44 30.20 1xqg n GLU 23 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xqg h PRO 24 N 4.08 0.00 0.00 3.49 0.13 -1.20 -2.81 132.00 135.69 1xqg h PRO 24 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xqg h PRO 24 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xqg h PRO 24 CO 0.69 0.00 -0.22 1.28 -0.23 0.00 0.00 178.00 179.52 1xqg n LEU 25 N -3.34 1.20 0.00 1.56 4.77 -1.26 -4.85 117.00 115.07 1xqg n LEU 25 Ca 0.02 -1.99 -0.24 0.00 -0.03 0.00 0.00 56.01 53.77 1xqg n LEU 25 Cb 0.47 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1xqg n LEU 25 CO 0.21 0.47 -0.18 0.61 -1.33 0.00 0.00 177.39 177.17 1xqg n GLY 26 N -0.70 3.72 3.83 -0.72 0.00 -1.06 -4.86 105.19 105.39 1xqg n GLY 26 Ca 0.08 -2.33 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 1xqg n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xqg s ASN 27 N -3.08 5.78 0.02 1.61 0.01 -1.26 -4.37 114.94 113.65 1xqg s ASN 27 Ca 0.00 1.58 0.01 0.00 -0.71 0.00 0.00 52.86 53.74 1xqg s ASN 27 Cb -0.00 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1xqg s ASN 27 CO 0.00 -1.17 -0.04 -0.69 -1.51 0.00 0.00 177.10 173.69 1xqg s VAL 28 N -2.98 0.23 -0.29 1.60 1.01 -0.87 -4.92 120.40 114.18 1xqg s VAL 28 Ca 0.58 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1xqg s VAL 28 Cb -0.13 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.09 1xqg s VAL 28 CO 0.51 -0.30 0.98 -0.22 0.00 0.00 0.00 175.10 176.06 1xqg s LEU 29 N -1.06 -0.53 0.20 3.92 2.96 -1.25 -1.57 118.68 121.34 1xqg s LEU 29 Ca -0.09 0.81 -0.23 0.00 -0.22 0.00 0.00 54.13 54.40 1xqg s LEU 29 Cb -0.07 1.72 0.05 0.00 0.50 0.00 0.00 46.19 48.39 1xqg s LEU 29 CO -0.00 -0.12 0.86 0.72 -1.32 0.00 0.00 176.35 176.48 1xqg s PHE 30 N 1.68 -0.16 -0.61 5.38 -0.12 -0.60 -4.80 117.98 118.74 1xqg s PHE 30 Ca -0.07 -0.20 -0.02 0.00 -0.05 0.00 0.00 56.93 56.59 1xqg s PHE 30 Cb -0.04 0.67 0.16 0.00 -0.63 0.00 0.00 43.02 43.17 1xqg s PHE 30 CO -0.16 -0.99 0.41 0.45 -0.05 0.00 0.00 175.22 174.89 1xqg s SER 31 N -2.92 5.07 0.32 1.98 0.15 -1.26 -1.34 113.70 115.69 1xqg s SER 31 Ca 0.11 -2.90 0.09 0.00 0.70 0.00 0.00 55.95 53.95 1xqg s SER 31 Cb -0.03 -1.82 0.86 0.00 -1.71 0.00 0.00 66.02 63.33 1xqg s SER 31 CO 0.04 -0.34 1.74 -0.65 1.20 0.00 0.00 173.24 175.23 1xqg h PRO 32 N 6.91 0.59 0.00 5.44 0.11 -1.77 -0.74 132.00 142.54 1xqg h PRO 32 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1xqg h PRO 32 Cb 0.94 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xqg h PRO 32 CO 0.71 0.39 -0.00 0.97 -0.21 0.00 0.00 178.00 179.86 1xqg h ILE 33 N 0.61 1.26 -0.56 4.15 6.09 -1.76 -1.11 117.51 126.19 1xqg h ILE 33 Ca 0.63 -0.78 0.11 0.00 -1.37 0.00 0.00 64.86 63.46 1xqg h ILE 33 Cb 1.17 1.79 -0.09 0.00 0.47 0.00 0.00 36.82 40.17 1xqg h ILE 33 CO -0.46 0.20 0.03 0.00 -3.07 0.00 0.00 178.15 174.85 1xqg h ALA 34 N 0.67 0.56 -0.46 0.18 0.00 -1.45 -0.27 119.26 118.49 1xqg h ALA 34 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1xqg h ALA 34 Cb 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xqg h ALA 34 CO 0.00 -0.37 -0.20 1.25 0.00 0.00 0.00 179.25 179.93 1xqg h LEU 35 N 0.14 0.94 -0.55 0.00 5.85 -1.31 -2.60 115.31 117.78 1xqg h LEU 35 Ca 0.29 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 1xqg h LEU 35 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xqg h LEU 35 CO -0.45 1.10 -0.18 0.28 -0.34 0.00 0.00 178.44 178.85 1xqg h SER 36 N 0.80 0.99 -0.41 1.25 0.02 -0.44 -0.46 113.55 115.30 1xqg h SER 36 Ca 0.11 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1xqg h SER 36 Cb 0.75 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1xqg h SER 36 CO 0.06 1.14 0.20 0.74 -1.14 0.00 0.00 176.83 177.83 1xqg h THR 37 N 0.85 1.17 0.78 -2.27 2.02 -1.01 0.23 112.91 114.70 1xqg h THR 37 Ca 0.12 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1xqg h THR 37 Cb 0.74 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1xqg h THR 37 CO 0.06 0.19 -0.38 0.28 0.37 0.00 0.00 175.52 176.04 1xqg h SER 38 N 0.53 -0.89 0.04 4.18 0.02 -1.31 -1.75 113.55 114.36 1xqg h SER 38 Ca 0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1xqg h SER 38 Cb 0.11 0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xqg h SER 38 CO -0.02 -0.57 0.00 -0.07 -1.14 0.00 0.00 176.83 175.03 1xqg h LEU 39 N -1.17 0.00 -0.36 5.07 4.07 -1.06 -0.46 115.31 121.40 1xqg h LEU 39 Ca -0.11 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.67 1xqg h LEU 39 Cb 0.82 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 1xqg h LEU 39 CO 0.18 0.00 -0.82 -1.28 -1.08 0.00 0.00 178.44 175.43 1xqg h SER 40 N 0.00 0.22 -0.05 -0.43 0.87 0.03 -2.75 113.55 111.44 1xqg h SER 40 Ca 0.00 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 1xqg h SER 40 Cb 0.02 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1xqg h SER 40 CO 0.00 0.95 -0.39 0.25 -0.53 0.00 0.00 176.83 177.10 1xqg h LEU 41 N 0.10 0.43 -2.00 2.23 5.85 -0.24 -3.11 115.31 118.58 1xqg h LEU 41 Ca -0.03 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.06 1xqg h LEU 41 Cb 1.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1xqg h LEU 41 CO 0.12 1.05 0.15 0.00 -0.34 0.00 0.00 178.44 179.42 1xqg h ALA 42 N 0.39 2.19 0.00 1.25 0.00 -1.44 -0.52 119.26 121.14 1xqg h ALA 42 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xqg h ALA 42 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xqg h ALA 42 CO 0.08 -0.25 0.00 0.37 0.00 0.00 0.00 179.25 179.45 1xqg h GLN 43 N 0.00 0.00 0.00 0.00 4.15 -1.41 -0.99 115.11 116.86 1xqg h GLN 43 Ca 0.10 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 1xqg h GLN 43 Cb 0.39 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1xqg h GLN 43 CO -0.00 0.00 -0.64 0.28 -1.93 0.00 0.00 178.83 176.54 1xqg h VAL 44 N 0.00 0.25 0.00 2.39 2.07 -1.18 -3.26 116.25 116.52 1xqg h VAL 44 Ca 0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1xqg h VAL 44 Cb 0.28 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1xqg h VAL 44 CO 0.00 0.14 -1.44 0.61 0.02 0.00 0.00 177.57 176.90 1xqg n GLY 45 N 1.20 -1.20 3.86 2.17 0.00 -0.60 -4.70 105.19 105.91 1xqg n GLY 45 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.39 3.30 0.19 4.61 0.00 -0.48 -2.34 121.76 123.65 1xqg s ALA 46 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1xqg s ALA 46 Cb 0.13 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1xqg s ALA 46 CO 0.85 0.11 0.17 0.21 0.00 0.00 0.00 175.76 177.10 1xqg s LYS 47 N -3.50 1.19 6.19 0.00 2.20 0.38 -4.66 119.74 121.54 1xqg s LYS 47 Ca 0.53 -1.52 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 1xqg s LYS 47 Cb -0.10 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1xqg s LYS 47 CO 0.25 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1xqg n GLY 48 N -0.25 3.36 0.12 5.54 0.00 -1.26 -2.88 105.19 109.82 1xqg n GLY 48 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.33 0.18 -1.01 1.61 5.19 -1.95 -2.23 116.42 118.54 1xqg h ASP 49 Ca 0.00 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.53 1xqg h ASP 49 Cb 0.00 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.40 1xqg h ASP 49 CO 0.00 0.14 0.64 0.74 -3.12 0.00 0.00 179.24 177.63 1xqg h THR 50 N 0.25 0.94 -0.41 0.35 2.02 -1.82 0.51 112.91 114.75 1xqg h THR 50 Ca 0.09 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1xqg h THR 50 Cb 0.02 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 1xqg h THR 50 CO -0.06 0.19 -0.27 0.00 0.37 0.00 0.00 175.52 175.74 1xqg h ALA 51 N 1.53 0.58 0.00 6.16 0.00 -1.36 -2.56 119.26 123.62 1xqg h ALA 51 Ca 0.49 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xqg h ALA 51 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xqg h ALA 51 CO -0.26 0.60 -0.33 -0.91 0.00 0.00 0.00 179.25 178.35 1xqg h ASN 52 N 0.73 0.00 0.21 0.00 4.21 -0.77 -2.33 115.58 117.62 1xqg h ASN 52 Ca 0.08 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.44 1xqg h ASN 52 Cb 0.85 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 1xqg h ASN 52 CO 0.07 0.33 -0.58 -0.08 -1.29 0.00 0.00 177.43 175.88 1xqg h GLU 53 N 0.00 0.38 -0.04 0.81 4.81 -0.73 -1.73 114.58 118.08 1xqg h GLU 53 Ca -0.00 -0.25 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 1xqg h GLU 53 Cb 0.88 0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.31 1xqg h GLU 53 CO 0.04 0.85 -0.90 0.82 -0.73 0.00 0.00 179.01 179.09 1xqg h ILE 54 N 0.29 1.30 0.00 2.32 2.04 -1.25 -2.50 117.51 119.71 1xqg h ILE 54 Ca -0.00 -2.14 -0.09 0.00 1.00 0.00 0.00 64.86 63.63 1xqg h ILE 54 Cb 1.10 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1xqg h ILE 54 CO 0.10 0.66 -0.43 1.23 0.00 0.00 0.00 178.15 179.71 1xqg h GLY 55 N 0.35 0.00 0.44 5.37 0.00 -1.40 0.07 103.07 107.90 1xqg h GLY 55 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xqg h GLY 55 CO 0.18 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.17 1xqg h GLN 56 N 0.00 0.02 -0.18 4.80 4.20 -1.29 0.42 115.11 123.08 1xqg h GLN 56 Ca -0.00 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 1xqg h GLN 56 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1xqg h GLN 56 CO 0.06 0.60 -0.62 0.28 -0.67 0.00 0.00 178.83 178.47 1xqg h VAL 57 N -0.55 1.31 -0.01 -0.54 2.07 -1.42 -3.14 116.25 113.98 1xqg h VAL 57 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1xqg h VAL 57 Cb 0.60 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1xqg h VAL 57 CO 0.00 0.59 -0.18 0.18 0.02 0.00 0.00 177.57 178.18 1xqg n LEU 58 N -3.94 1.04 -1.01 2.57 4.77 0.01 -4.72 117.00 115.71 1xqg n LEU 58 Ca -0.04 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 1xqg n LEU 58 Cb 0.65 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1xqg n LEU 58 CO 0.49 0.19 -0.12 1.41 -1.33 0.00 0.00 177.39 178.02 1xqg n HIS 59 N -0.52 -0.06 1.55 -1.77 8.25 -0.28 -4.46 115.22 117.93 1xqg n HIS 59 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 1xqg n HIS 59 Cb 0.34 -2.33 0.73 0.00 1.12 0.00 0.00 29.99 29.84 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 -2.79 0.00 -0.12 4.41 3.72 -0.02 -4.26 117.46 118.40 1xqg n PHE 60 Ca -0.13 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.37 1xqg n PHE 60 Cb 0.43 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.99 -0.03 -3.00 -1.08 0.28 -1.06 -2.12 120.64 112.64 1xqg n GLU 61 Ca 0.18 0.54 -0.16 0.00 -0.16 0.00 0.00 57.16 57.56 1xqg n GLU 61 Cb 0.08 -0.92 -0.00 0.00 1.43 0.00 0.00 31.44 32.03 1xqg n GLU 61 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1xqg n ASN 62 N -4.04 -0.82 -3.68 -1.84 0.23 -1.26 -5.05 115.26 98.80 1xqg n ASN 62 Ca 0.12 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.58 50.77 1xqg n ASN 62 Cb 0.41 0.41 -0.15 0.00 -2.08 0.00 0.00 39.78 38.37 1xqg n ASN 62 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1xqg s VAL 63 N -0.81 0.64 0.43 3.53 1.01 -0.90 -4.96 120.40 119.34 1xqg s VAL 63 Ca 0.33 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 1xqg s VAL 63 Cb 0.25 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.06 1xqg s VAL 63 CO -0.12 -0.70 1.17 -1.59 0.00 0.00 0.00 175.10 173.86 1xqg s LYS 64 N 1.70 3.88 -1.16 2.72 -2.85 -1.26 -3.82 119.74 118.95 1xqg s LYS 64 Ca 0.10 1.82 -0.02 0.00 -1.00 0.00 0.00 55.97 56.87 1xqg s LYS 64 Cb -0.17 -2.53 -0.02 0.00 -2.06 0.00 0.00 37.83 33.05 1xqg s LYS 64 CO -0.27 -0.46 0.98 -0.25 0.10 0.00 0.00 175.35 175.45 1xqg n ASP 65 N -0.24 -3.29 0.10 0.03 8.00 -1.26 -4.83 116.55 115.06 1xqg n ASP 65 Ca 0.06 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.78 1xqg n ASP 65 Cb 0.47 -5.15 -0.08 0.00 -0.02 0.00 0.00 41.12 36.34 1xqg n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xqg h VAL 66 N -1.68 0.91 -0.76 2.53 2.07 -1.93 -2.51 116.25 114.88 1xqg h VAL 66 Ca -0.60 -0.10 0.16 0.00 0.82 0.00 0.00 66.70 66.98 1xqg h VAL 66 Cb 1.33 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1xqg h VAL 66 CO 0.48 0.03 0.51 -0.65 0.02 0.00 0.00 177.57 177.96 1xqg h PRO 67 N -0.21 0.34 -0.17 1.57 0.11 -1.93 -0.69 132.00 131.02 1xqg h PRO 67 Ca -0.02 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 1xqg h PRO 67 Cb 0.17 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.21 1xqg h PRO 67 CO 0.03 0.22 -0.75 0.35 -0.21 0.00 0.00 178.00 177.64 1xqg h PHE 68 N 0.35 1.06 -0.47 0.65 3.57 -1.90 -0.38 116.94 119.82 1xqg h PHE 68 Ca 0.38 -0.46 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1xqg h PHE 68 Cb 0.97 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1xqg h PHE 68 CO -0.00 1.29 0.31 0.78 -2.23 0.00 0.00 178.31 178.46 1xqg h GLY 69 N 0.60 0.64 1.96 2.40 0.00 -0.71 0.26 103.07 108.23 1xqg h GLY 69 Ca -0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1xqg h GLY 69 CO 0.16 0.22 -0.59 0.74 0.00 0.00 0.00 176.54 177.07 1xqg h PHE 70 N 0.61 0.00 -0.57 5.60 0.04 -1.21 -2.96 116.94 118.44 1xqg h PHE 70 Ca 0.18 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 1xqg h PHE 70 Cb -0.02 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1xqg h PHE 70 CO -0.00 0.56 0.18 0.37 -0.60 0.00 0.00 178.31 178.82 1xqg h GLN 71 N 0.00 0.86 0.27 1.51 4.15 0.81 -2.14 115.11 120.57 1xqg h GLN 71 Ca -0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1xqg h GLN 71 Cb 1.44 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1xqg h GLN 71 CO 0.07 0.74 -0.13 1.15 -1.93 0.00 0.00 178.83 178.73 1xqg h THR 72 N 0.84 0.46 -0.48 2.39 2.02 -1.30 -2.49 112.91 114.34 1xqg h THR 72 Ca 0.19 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1xqg h THR 72 Cb 0.24 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 1xqg h THR 72 CO -0.01 0.12 -0.18 0.58 0.37 0.00 0.00 175.52 176.40 1xqg h VAL 73 N -0.98 0.42 -0.22 3.16 2.07 -1.52 0.97 116.25 120.15 1xqg h VAL 73 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1xqg h VAL 73 Cb 0.47 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1xqg h VAL 73 CO 0.06 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.34 1xqg h THR 74 N -0.07 0.79 -0.12 2.57 2.02 -1.48 0.22 112.91 116.84 1xqg h THR 74 Ca 0.23 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 1xqg h THR 74 Cb 0.42 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1xqg h THR 74 CO -0.53 0.00 -0.01 0.77 0.37 0.00 0.00 175.52 176.12 1xqg h SER 75 N 0.00 0.15 0.26 4.18 4.64 -0.81 0.11 113.55 122.09 1xqg h SER 75 Ca 0.11 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1xqg h SER 75 Cb 0.16 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1xqg h SER 75 CO -0.22 0.20 -0.13 0.44 -0.87 0.00 0.00 176.83 176.25 1xqg h ASP 76 N 0.17 -0.30 -0.87 4.97 3.32 0.62 -1.81 116.42 122.52 1xqg h ASP 76 Ca 0.04 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 56.92 1xqg h ASP 76 Cb 0.14 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1xqg h ASP 76 CO 0.00 0.17 0.57 0.58 -1.72 0.00 0.00 179.24 178.84 1xqg h VAL 77 N -0.89 1.08 0.19 -1.35 2.07 -0.34 0.18 116.25 117.20 1xqg h VAL 77 Ca -0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1xqg h VAL 77 Cb 0.51 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1xqg h VAL 77 CO 0.06 0.18 -0.09 0.78 0.02 0.00 0.00 177.57 178.52 1xqg h ASN 78 N 1.01 -0.22 -0.78 0.57 -0.26 -0.86 -0.01 115.58 115.03 1xqg h ASN 78 Ca 0.37 -0.28 0.21 0.00 -0.56 0.00 0.00 56.30 56.05 1xqg h ASN 78 Cb 0.17 0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.45 1xqg h ASN 78 CO -0.13 0.20 0.55 0.50 -1.06 0.00 0.00 177.43 177.49 1xqg h LYS 79 N -0.68 0.08 0.00 0.81 3.11 -0.96 0.32 116.57 119.25 1xqg h LYS 79 Ca -0.03 -0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.65 1xqg h LYS 79 Cb 0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1xqg h LYS 79 CO 0.04 0.05 -0.74 1.25 -2.81 0.00 0.00 179.45 177.24 1xqg h LEU 80 N 0.08 0.00 0.00 5.20 5.85 -0.65 -3.29 115.31 122.51 1xqg h LEU 80 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1xqg h LEU 80 Cb 1.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1xqg h LEU 80 CO -0.03 0.74 0.00 -1.20 -0.34 0.00 0.00 178.44 177.61 1xqg n SER 81 N -3.38 0.00 -0.00 1.25 7.64 0.11 -0.58 113.62 118.66 1xqg n SER 81 Ca 0.00 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.31 1xqg n SER 81 Cb 0.80 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 63.47 1xqg n SER 81 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xqg n SER 82 N -1.41 0.78 -0.11 6.43 3.41 -1.23 -4.44 113.62 117.06 1xqg n SER 82 Ca 0.04 -0.74 -0.18 0.00 -0.26 0.00 0.00 58.87 57.73 1xqg n SER 82 Cb 0.12 1.23 -0.06 0.00 -0.26 0.00 0.00 64.21 65.24 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 -1.65 0.06 -2.16 7.33 -0.00 -0.63 -5.00 117.46 115.40 1xqg n PHE 83 Ca 0.02 0.02 -0.29 0.00 -0.00 0.00 0.00 57.45 57.21 1xqg n PHE 83 Cb 0.37 -0.74 0.03 0.00 -0.00 0.00 0.00 39.48 39.14 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 -2.70 3.35 -0.42 -5.13 2.02 0.25 -4.95 117.35 109.77 1xqg s TYR 84 Ca -0.33 0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1xqg s TYR 84 Cb 0.09 -2.83 0.03 0.00 -0.40 0.00 0.00 41.96 38.85 1xqg s TYR 84 CO 0.45 -0.90 2.86 0.45 -1.57 0.00 0.00 175.55 176.84 1xqg n SER 85 N -2.74 6.36 -4.51 2.29 2.88 -1.26 -4.65 113.62 112.00 1xqg n SER 85 Ca 0.05 -3.13 -0.26 0.00 -1.33 0.00 0.00 58.87 54.21 1xqg n SER 85 Cb 0.57 -1.25 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 1xqg n SER 85 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1xqg s LEU 86 N -1.95 2.72 -0.29 2.46 2.96 -1.26 -2.44 118.68 120.89 1xqg s LEU 86 Ca 0.60 -0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1xqg s LEU 86 Cb 0.37 -1.35 0.11 0.00 0.50 0.00 0.00 46.19 45.82 1xqg s LEU 86 CO -0.20 0.08 0.73 -0.75 -1.32 0.00 0.00 176.35 174.89 1xqg s LYS 87 N -3.08 0.60 -0.44 1.98 2.47 -1.05 -4.53 119.74 115.67 1xqg s LYS 87 Ca 0.26 1.21 0.02 0.00 -1.56 0.00 0.00 55.97 55.90 1xqg s LYS 87 Cb -0.07 0.41 0.13 0.00 -1.46 0.00 0.00 37.83 36.85 1xqg s LYS 87 CO 0.14 -0.16 0.23 -1.17 0.16 0.00 0.00 175.35 174.56 1xqg s LEU 88 N 2.11 2.94 -0.27 5.43 2.96 -1.26 -1.17 118.68 129.41 1xqg s LEU 88 Ca -0.08 -2.64 -0.19 0.00 -0.22 0.00 0.00 54.13 51.00 1xqg s LEU 88 Cb -0.07 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1xqg s LEU 88 CO -0.19 -0.27 0.58 -0.63 -1.32 0.00 0.00 176.35 174.53 1xqg s ILE 89 N 0.31 5.00 0.04 6.68 1.09 0.70 -4.98 121.20 130.06 1xqg s ILE 89 Ca 0.17 0.94 0.04 0.00 -1.10 0.00 0.00 60.65 60.70 1xqg s ILE 89 Cb -0.24 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1xqg s ILE 89 CO -0.00 -0.01 -0.06 -0.54 -0.10 0.00 0.00 174.94 174.23 1xqg s LYS 90 N 2.46 2.46 -0.29 2.79 1.02 -1.26 -1.03 119.74 125.89 1xqg s LYS 90 Ca 0.24 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.28 1xqg s LYS 90 Cb -0.15 -2.47 0.14 0.00 -0.52 0.00 0.00 37.83 34.82 1xqg s LYS 90 CO 0.10 0.57 0.86 0.50 -0.92 0.00 0.00 175.35 176.46 1xqg s ARG 91 N -1.77 0.45 -0.38 1.68 6.06 -0.49 -4.58 118.95 119.91 1xqg s ARG 91 Ca 0.20 0.96 -0.06 0.00 -2.50 0.00 0.00 55.73 54.33 1xqg s ARG 91 Cb -0.11 0.40 0.07 0.00 0.06 0.00 0.00 34.95 35.37 1xqg s ARG 91 CO 0.11 -0.13 0.18 -1.17 -2.50 0.00 0.00 175.30 171.79 1xqg s LEU 92 N 2.13 4.83 -0.28 -0.88 2.96 -0.86 -0.28 118.68 126.30 1xqg s LEU 92 Ca -0.06 -1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 52.13 1xqg s LEU 92 Cb -0.07 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1xqg s LEU 92 CO -0.18 -0.46 0.55 -0.31 -1.32 0.00 0.00 176.35 174.64 1xqg s TYR 93 N 1.32 3.24 -0.03 5.38 2.02 0.14 -2.27 117.35 127.16 1xqg s TYR 93 Ca 0.02 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 1xqg s TYR 93 Cb -0.22 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 1xqg s TYR 93 CO 0.00 -0.37 -0.03 0.14 -1.57 0.00 0.00 175.55 173.73 1xqg s VAL 94 N 2.41 3.99 0.12 0.71 -7.23 0.06 -0.15 120.40 120.30 1xqg s VAL 94 Ca 0.22 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 1xqg s VAL 94 Cb -0.15 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 1xqg s VAL 94 CO 0.10 0.46 1.02 -0.62 -0.31 0.00 0.00 175.10 175.75 1xqg s ASP 95 N -1.28 7.39 0.37 4.85 -1.08 -0.22 -0.35 116.67 126.34 1xqg s ASP 95 Ca 0.17 1.89 0.19 0.00 -0.52 0.00 0.00 52.55 54.27 1xqg s ASP 95 Cb -0.11 -2.59 1.17 0.00 -1.46 0.00 0.00 42.92 39.93 1xqg s ASP 95 CO 0.07 -0.16 1.67 0.11 0.52 0.00 0.00 175.17 177.37 1xqg h LYS 96 N 5.64 0.26 0.00 4.34 1.57 -0.66 0.19 116.57 127.91 1xqg h LYS 96 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1xqg h LYS 96 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1xqg h LYS 96 CO 0.73 0.18 0.08 -1.13 -0.57 0.00 0.00 179.45 178.74 1xqg n SER 97 N -4.93 0.00 -4.18 0.86 3.41 -1.26 -3.33 113.62 104.20 1xqg n SER 97 Ca 0.32 0.12 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 1xqg n SER 97 Cb 1.08 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 1xqg n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xqg s LEU 98 N -1.99 5.78 -0.47 1.04 1.43 0.66 -4.81 118.68 120.32 1xqg s LEU 98 Ca 0.00 -3.15 -0.27 0.00 -1.03 0.00 0.00 54.13 49.68 1xqg s LEU 98 Cb 0.00 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 1xqg s LEU 98 CO 0.00 -0.35 2.40 0.59 0.23 0.00 0.00 176.35 179.22 1xqg n ASN 99 N 3.17 2.35 -4.64 2.29 4.13 -1.21 -4.84 115.26 116.51 1xqg n ASN 99 Ca 0.15 -0.37 -0.43 0.00 1.68 0.00 0.00 54.58 55.62 1xqg n ASN 99 Cb 0.40 -1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 37.07 1xqg n ASN 99 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xqg s LEU 100 N 11.48 4.04 0.29 3.41 1.43 -1.26 -4.41 118.68 133.67 1xqg s LEU 100 Ca 1.00 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.59 1xqg s LEU 100 Cb -0.26 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.30 1xqg s LEU 100 CO 0.29 -1.11 1.24 -1.54 0.23 0.00 0.00 176.35 175.46 1xqg n SER 101 N 7.86 2.30 -0.24 2.29 3.41 0.36 -4.81 113.62 124.79 1xqg n SER 101 Ca 0.18 1.18 0.10 0.00 -0.26 0.00 0.00 58.87 60.07 1xqg n SER 101 Cb 0.45 -1.40 0.37 0.00 -0.26 0.00 0.00 64.21 63.36 1xqg n SER 101 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xqg h THR 102 N 2.53 0.90 0.09 6.66 1.35 -1.92 -2.36 112.91 120.16 1xqg h THR 102 Ca -0.44 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1xqg h THR 102 Cb 1.30 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1xqg h THR 102 CO 0.66 0.13 -0.04 -0.08 -0.25 0.00 0.00 175.52 175.93 1xqg h GLU 103 N 0.71 -0.12 -0.99 4.72 4.57 -1.95 -1.45 114.58 120.07 1xqg h GLU 103 Ca 0.40 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.69 1xqg h GLU 103 Cb 0.56 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 1xqg h GLU 103 CO -0.17 -0.04 0.63 0.35 -1.18 0.00 0.00 179.01 178.61 1xqg h PHE 104 N -0.17 1.14 -0.10 0.92 3.57 -1.67 0.67 116.94 121.30 1xqg h PHE 104 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1xqg h PHE 104 Cb 0.14 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1xqg h PHE 104 CO -0.06 0.49 -0.42 0.82 -2.23 0.00 0.00 178.31 176.92 1xqg h ILE 105 N 1.02 1.31 0.05 1.41 2.04 -1.03 -2.44 117.51 119.88 1xqg h ILE 105 Ca 0.47 -1.52 -0.33 0.00 1.00 0.00 0.00 64.86 64.48 1xqg h ILE 105 Cb 0.41 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1xqg h ILE 105 CO -0.23 0.45 -1.89 -1.54 0.00 0.00 0.00 178.15 174.94 1xqg n SER 106 N -4.02 1.41 -0.36 1.72 3.41 -0.58 -3.28 113.62 111.92 1xqg n SER 106 Ca -0.02 0.29 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 1xqg n SER 106 Cb 0.48 -0.37 0.16 0.00 -0.26 0.00 0.00 64.21 64.22 1xqg n SER 106 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1xqg h SER 107 N 0.03 1.07 -0.47 4.04 0.87 0.32 -2.73 113.55 116.68 1xqg h SER 107 Ca -0.37 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.00 1xqg h SER 107 Cb 2.03 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 63.64 1xqg h SER 107 CO 0.08 0.73 0.09 0.35 -0.53 0.00 0.00 176.83 177.55 1xqg n THR 108 N -4.44 2.63 0.11 2.23 -2.24 -0.92 -4.67 114.28 106.98 1xqg n THR 108 Ca 0.13 -2.23 -0.19 0.00 -2.27 0.00 0.00 64.05 59.50 1xqg n THR 108 Cb 0.10 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 67.87 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 1.49 0.42 0.00 -0.78 3.11 -1.47 -3.24 116.57 116.11 1xqg h LYS 109 Ca 0.22 -0.64 -0.20 0.00 -2.81 0.00 0.00 60.65 57.22 1xqg h LYS 109 Cb 1.86 0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 33.29 1xqg h LYS 109 CO 0.49 1.28 -1.14 0.00 -2.81 0.00 0.00 179.45 177.27 1xqg h ARG 110 N 0.15 0.00 -0.95 1.90 3.08 -1.83 -3.30 114.38 113.43 1xqg h ARG 110 Ca -0.16 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.94 1xqg h ARG 110 Cb 1.94 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.94 1xqg h ARG 110 CO 0.22 0.93 0.62 -1.35 -1.07 0.00 0.00 179.97 179.32 1xqg h PRO 111 N -1.00 1.11 -1.90 0.04 0.11 -1.84 -3.09 132.00 125.44 1xqg h PRO 111 Ca -0.31 -0.07 -0.60 0.00 0.11 0.00 0.00 66.00 65.14 1xqg h PRO 111 Cb 1.23 -0.25 -0.41 0.00 0.11 0.00 0.00 31.00 31.68 1xqg h PRO 111 CO -0.19 0.73 -0.62 0.66 -0.21 0.00 0.00 178.00 178.37 1xqg n TYR 112 N -4.47 3.70 0.00 0.65 4.01 -1.22 -4.04 117.16 115.78 1xqg n TYR 112 Ca 0.14 -3.50 0.00 0.00 -0.16 0.00 0.00 57.90 54.37 1xqg n TYR 112 Cb 0.15 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.37 0.00 1.25 -0.72 0.00 -1.17 -2.48 120.51 117.02 1xqg n ALA 113 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.81 1xqg n ALA 113 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 1.34 -0.11 0.00 5.02 -1.26 -4.09 118.16 119.06 1xqg n LYS 114 Ca 0.00 -0.36 0.02 0.00 -2.02 0.00 0.00 58.31 55.96 1xqg n LYS 114 Cb 0.00 -1.33 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.08 1.50 -3.81 1.97 1.02 -1.04 -4.65 120.64 115.55 1xqg n GLU 115 Ca 0.03 -0.61 -0.26 0.00 -0.02 0.00 0.00 57.16 56.30 1xqg n GLU 115 Cb 0.22 -1.27 -0.17 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.90 1.01 -0.01 -4.62 0.20 -1.26 -2.03 118.68 111.07 1xqg s LEU 116 Ca 0.11 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1xqg s LEU 116 Cb 0.07 -0.63 -0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1xqg s LEU 116 CO 0.06 -0.20 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.14 1xqg s GLU 117 N 1.84 0.78 -0.22 1.98 2.12 -0.96 -4.99 118.70 119.24 1xqg s GLU 117 Ca 0.03 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 1xqg s GLU 117 Cb -0.14 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.48 1xqg s GLU 117 CO -0.07 0.16 0.04 0.99 -0.54 0.00 0.00 175.26 175.84 1xqg s THR 118 N -0.05 4.20 0.20 -1.70 2.01 -1.26 -0.76 115.64 118.28 1xqg s THR 118 Ca 0.01 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1xqg s THR 118 Cb -0.05 -2.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 1xqg s THR 118 CO -0.00 0.39 0.02 1.33 -0.69 0.00 0.00 174.62 175.67 1xqg n VAL 119 N 4.52 0.00 -3.31 3.82 0.24 0.52 -4.89 118.33 119.23 1xqg n VAL 119 Ca -0.17 -1.02 -0.26 0.00 -2.04 0.00 0.00 64.34 60.85 1xqg n VAL 119 Cb 0.52 0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 1xqg n VAL 119 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xqg n ASP 120 N -1.35 3.20 -0.17 -1.34 2.03 -1.26 0.13 116.55 117.78 1xqg n ASP 120 Ca -0.07 -3.35 0.01 0.00 0.52 0.00 0.00 54.79 51.91 1xqg n ASP 120 Cb 0.27 -0.65 0.28 0.00 -0.72 0.00 0.00 41.12 40.30 1xqg n ASP 120 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1xqg h PHE 121 N 3.94 0.86 0.00 -0.67 0.04 -1.86 -1.28 116.94 117.97 1xqg h PHE 121 Ca 0.17 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1xqg h PHE 121 Cb 0.68 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1xqg h PHE 121 CO 0.67 0.55 0.00 1.17 -0.60 0.00 0.00 178.31 180.10 1xqg n LYS 122 N -4.43 0.00 0.15 1.51 4.81 -1.26 -2.45 118.16 116.50 1xqg n LYS 122 Ca 0.07 0.01 0.13 0.00 -0.87 0.00 0.00 58.31 57.65 1xqg n LYS 122 Cb 0.04 -0.65 0.51 0.00 0.02 0.00 0.00 35.03 34.94 1xqg n LYS 122 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1xqg h ASP 123 N 0.00 0.00 -0.74 3.14 3.32 -1.89 -3.31 116.42 116.94 1xqg h ASP 123 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1xqg h ASP 123 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 1xqg h ASP 123 CO 0.00 0.00 -1.04 0.29 -1.72 0.00 0.00 179.24 176.77 1xqg n LYS 124 N -2.39 2.11 -0.25 3.56 5.02 -0.49 -4.94 118.16 120.78 1xqg n LYS 124 Ca 0.02 -3.67 0.06 0.00 -2.02 0.00 0.00 58.31 52.70 1xqg n LYS 124 Cb 0.27 -1.71 0.18 0.00 -0.02 0.00 0.00 35.03 33.75 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 2.62 -0.14 -0.56 -0.35 5.85 -1.42 -0.53 115.31 120.79 1xqg h LEU 125 Ca 0.01 0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 1xqg h LEU 125 Cb 1.26 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1xqg h LEU 125 CO 0.43 -0.11 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.06 1xqg h GLU 126 N 0.19 0.86 -0.12 1.25 4.57 -1.90 -2.13 114.58 117.30 1xqg h GLU 126 Ca 0.42 -0.39 -0.21 0.00 -1.18 0.00 0.00 59.36 58.01 1xqg h GLU 126 Cb 0.75 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1xqg h GLU 126 CO -0.59 1.03 -0.77 1.49 -1.18 0.00 0.00 179.01 178.99 1xqg h GLU 127 N 0.73 0.63 0.66 1.92 4.81 -1.81 -2.98 114.58 118.54 1xqg h GLU 127 Ca 0.08 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1xqg h GLU 127 Cb 0.83 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1xqg h GLU 127 CO 0.07 1.14 -0.45 1.15 -0.73 0.00 0.00 179.01 180.19 1xqg h THR 128 N 0.43 0.00 -0.93 0.32 2.02 -1.07 -1.51 112.91 112.17 1xqg h THR 128 Ca -0.05 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.34 1xqg h THR 128 Cb 1.38 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.68 1xqg h THR 128 CO 0.15 0.00 0.49 0.11 0.37 0.00 0.00 175.52 176.63 1xqg h LYS 129 N -1.06 0.54 -0.33 6.66 1.57 -1.48 0.71 116.57 123.19 1xqg h LYS 129 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xqg h LYS 129 Cb 0.86 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1xqg h LYS 129 CO 0.06 0.36 0.22 0.78 -0.57 0.00 0.00 179.45 180.29 1xqg h GLY 130 N 0.56 0.46 0.35 3.86 0.00 -1.30 0.93 103.07 107.92 1xqg h GLY 130 Ca 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1xqg h GLY 130 CO -0.45 0.17 -0.06 -1.61 0.00 0.00 0.00 176.54 174.58 1xqg h GLN 131 N 0.44 -0.17 -0.42 4.80 4.15 0.14 -2.86 115.11 121.18 1xqg h GLN 131 Ca 0.12 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.57 1xqg h GLN 131 Cb -0.05 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1xqg h GLN 131 CO -0.03 0.29 0.24 0.82 -1.93 0.00 0.00 178.83 178.23 1xqg h ILE 132 N -0.83 1.03 -0.20 2.39 2.04 -0.70 0.28 117.51 121.51 1xqg h ILE 132 Ca -0.02 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1xqg h ILE 132 Cb 0.54 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1xqg h ILE 132 CO 0.03 0.09 0.01 0.78 0.00 0.00 0.00 178.15 179.06 1xqg h ASN 133 N 0.49 -0.05 0.14 1.72 2.35 -0.92 -1.19 115.58 118.12 1xqg h ASN 133 Ca 0.17 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 1xqg h ASN 133 Cb 0.02 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1xqg h ASN 133 CO -0.09 0.00 -0.51 -1.13 -1.65 0.00 0.00 177.43 174.06 1xqg h ASN 134 N 0.08 0.45 0.78 5.81 -1.24 -1.29 -2.62 115.58 117.55 1xqg h ASN 134 Ca 0.09 -0.23 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 1xqg h ASN 134 Cb 0.11 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.03 1xqg h ASN 134 CO -0.14 0.88 -0.39 -1.28 -1.29 0.00 0.00 177.43 175.20 1xqg h SER 135 N 0.32 -0.94 -0.34 1.15 0.87 -0.09 -2.55 113.55 111.97 1xqg h SER 135 Ca 0.01 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 60.71 1xqg h SER 135 Cb 1.00 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1xqg h SER 135 CO 0.09 -0.65 0.25 0.40 -0.53 0.00 0.00 176.83 176.38 1xqg h ILE 136 N -1.07 0.81 -0.14 2.23 1.08 -1.30 -0.46 117.51 118.65 1xqg h ILE 136 Ca -0.11 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1xqg h ILE 136 Cb 0.83 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1xqg h ILE 136 CO 0.17 0.00 -0.16 0.50 -0.69 0.00 0.00 178.15 177.97 1xqg h LYS 137 N 0.00 0.23 0.08 2.37 3.64 -1.11 -1.53 116.57 120.25 1xqg h LYS 137 Ca 0.16 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1xqg h LYS 137 Cb 0.66 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1xqg h LYS 137 CO -0.00 0.39 -0.59 -0.44 -2.27 0.00 0.00 179.45 176.53 1xqg h ASP 138 N 0.21 0.27 -0.06 4.20 3.32 -0.71 0.32 116.42 123.98 1xqg h ASP 138 Ca 0.04 -0.94 0.02 0.00 0.02 0.00 0.00 57.03 56.17 1xqg h ASP 138 Cb 0.41 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xqg h ASP 138 CO 0.03 1.28 0.08 -0.07 -1.72 0.00 0.00 179.24 178.84 1xqg h LEU 139 N -0.62 0.00 -3.61 1.55 3.38 -1.29 0.25 115.31 114.97 1xqg h LEU 139 Ca -0.11 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.47 1xqg h LEU 139 Cb 1.41 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.93 1xqg h LEU 139 CO 0.07 0.00 -0.01 0.35 0.09 0.00 0.00 178.44 178.94 1xqg n THR 140 N -3.63 2.81 -1.85 0.22 -2.24 -0.59 -4.89 114.28 104.11 1xqg n THR 140 Ca -0.01 -3.04 -0.03 0.00 -2.27 0.00 0.00 64.05 58.69 1xqg n THR 140 Cb 0.17 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.00 -1.23 0.00 3.42 9.92 0.08 0.23 116.55 127.97 1xqg n ASP 141 Ca 0.43 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.96 1xqg n ASP 141 Cb 1.01 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1xqg n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqg n GLY 142 N -0.33 0.34 0.28 0.44 0.00 0.11 -4.94 105.19 101.08 1xqg n GLY 142 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.34 1.61 3.86 -0.44 -3.38 115.15 113.47 1xqg h HIS 143 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 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 0.05 -0.73 -0.06 0.86 0.00 0.00 177.93 178.05 1xqg s PHE 144 N -3.80 2.59 0.01 2.45 0.40 -1.26 -5.02 117.98 113.34 1xqg s PHE 144 Ca -0.00 -2.39 -0.17 0.00 -0.60 0.00 0.00 56.93 53.76 1xqg s PHE 144 Cb 0.10 -2.25 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 1xqg s PHE 144 CO 0.55 -0.88 1.03 1.49 0.70 0.00 0.00 175.22 178.10 1xqg h GLU 145 N 7.61 -0.59 -2.25 0.44 4.57 -1.91 -3.29 114.58 119.16 1xqg h GLU 145 Ca -0.08 0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.54 1xqg h GLU 145 Cb 0.99 0.13 -0.42 0.00 -0.16 0.00 0.00 28.75 29.30 1xqg h GLU 145 CO 0.51 -0.39 -0.65 -1.71 -1.18 0.00 0.00 179.01 175.58 1xqg n ASN 146 N -4.01 3.25 -0.05 1.04 5.15 -1.26 -4.67 115.26 114.70 1xqg n ASN 146 Ca -0.08 -3.33 0.24 0.00 -0.60 0.00 0.00 54.58 50.82 1xqg n ASN 146 Cb 0.24 -0.67 0.64 0.00 -0.53 0.00 0.00 39.78 39.45 1xqg n ASN 146 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1xqg h ILE 147 N 3.16 0.22 -3.22 -1.44 6.09 -1.83 -3.39 117.51 117.10 1xqg h ILE 147 Ca 0.18 0.00 -0.59 0.00 -1.37 0.00 0.00 64.86 63.08 1xqg h ILE 147 Cb 0.70 0.39 -0.07 0.00 0.47 0.00 0.00 36.82 38.30 1xqg h ILE 147 CO 0.78 0.00 -0.17 -0.76 -3.07 0.00 0.00 178.15 174.93 1xqg s LEU 148 N -7.08 4.36 0.00 2.19 1.43 -1.26 -5.03 118.68 113.29 1xqg s LEU 148 Ca -0.04 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1xqg s LEU 148 Cb 0.15 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.81 1xqg s LEU 148 CO 0.53 0.13 0.51 0.00 0.23 0.00 0.00 176.35 177.75 1xqg n ALA 149 N 2.93 -0.32 0.14 4.21 0.00 -1.26 -5.00 120.51 121.21 1xqg n ALA 149 Ca -0.10 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.47 1xqg n ALA 149 Cb 0.52 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1xqg n ALA 149 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xqg h ASP 150 N -0.52 -0.62 -1.42 0.00 3.32 -1.98 -3.29 116.42 111.90 1xqg h ASP 150 Ca -0.17 0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.27 1xqg h ASP 150 Cb 0.52 0.20 -0.35 0.00 0.22 0.00 0.00 39.33 39.93 1xqg h ASP 150 CO 0.14 -0.30 0.18 0.59 -1.72 0.00 0.00 179.24 178.13 1xqg n ASN 151 N -3.72 6.32 0.08 6.45 5.03 -1.26 -4.64 115.26 123.52 1xqg n ASN 151 Ca -0.05 -3.78 0.05 0.00 0.87 0.00 0.00 54.58 51.66 1xqg n ASN 151 Cb 0.21 -0.75 -0.02 0.00 -1.02 0.00 0.00 39.78 38.20 1xqg n ASN 151 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xqg h SER 152 N 2.52 0.00 -4.25 6.41 0.02 -1.95 -3.47 113.55 112.83 1xqg h SER 152 Ca 0.47 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.28 1xqg h SER 152 Cb 0.72 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.03 1xqg h SER 152 CO 1.19 0.34 -0.31 0.68 -1.14 0.00 0.00 176.83 177.59 1xqg s VAL 153 N -3.09 0.02 0.18 2.27 -7.23 -1.26 -4.78 120.40 106.51 1xqg s VAL 153 Ca -0.00 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1xqg s VAL 153 Cb 0.09 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1xqg s VAL 153 CO 0.79 -0.09 0.23 -0.46 -0.31 0.00 0.00 175.10 175.26 1xqg n ASN 154 N 2.33 -0.64 -0.19 4.85 6.94 -1.26 -5.02 115.26 122.28 1xqg n ASN 154 Ca -0.16 -2.02 0.30 0.00 -0.02 0.00 0.00 54.58 52.68 1xqg n ASN 154 Cb 0.57 1.23 0.72 0.00 -2.36 0.00 0.00 39.78 39.95 1xqg n ASN 154 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1xqg h ASP 155 N 1.03 0.00 -0.26 0.53 3.32 -1.85 -1.27 116.42 117.93 1xqg h ASP 155 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xqg h ASP 155 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1xqg h ASP 155 CO 0.19 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 179.38 1xqg n GLN 156 N -4.05 1.98 -2.13 3.56 -0.06 -1.26 -4.02 117.38 111.40 1xqg n GLN 156 Ca 0.20 -1.49 -0.42 0.00 -2.00 0.00 0.00 57.00 53.29 1xqg n GLN 156 Cb 1.05 -1.42 -0.03 0.00 -4.06 0.00 0.00 30.24 25.78 1xqg n GLN 156 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1xqg s THR 157 N -1.67 3.68 -0.18 1.69 2.01 -0.48 -4.92 115.64 115.78 1xqg s THR 157 Ca 0.34 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 63.12 1xqg s THR 157 Cb 0.19 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 1xqg s THR 157 CO 0.27 -0.05 -0.27 0.29 -0.69 0.00 0.00 174.62 174.17 1xqg n LYS 158 N 6.38 0.51 -4.63 4.92 4.76 -1.26 -4.65 118.16 124.18 1xqg n LYS 158 Ca 0.15 0.34 -0.24 0.00 -2.87 0.00 0.00 58.31 55.69 1xqg n LYS 158 Cb 0.43 -1.54 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 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 -2.63 1.43 -0.04 -0.18 1.01 -1.24 -1.06 121.20 118.49 1xqg s ILE 159 Ca -0.25 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 1xqg s ILE 159 Cb 0.04 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1xqg s ILE 159 CO 0.37 0.22 0.05 -0.22 0.00 0.00 0.00 174.94 175.36 1xqg s LEU 160 N -0.91 0.34 -0.14 2.97 2.96 0.79 -1.51 118.68 123.18 1xqg s LEU 160 Ca 0.06 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.87 1xqg s LEU 160 Cb -0.08 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 1xqg s LEU 160 CO 0.01 -0.22 0.34 -0.69 -1.32 0.00 0.00 176.35 174.47 1xqg s VAL 161 N 1.97 5.27 -0.09 1.68 1.01 -0.84 0.25 120.40 129.65 1xqg s VAL 161 Ca 0.03 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1xqg s VAL 161 Cb -0.12 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xqg s VAL 161 CO -0.03 0.39 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 1xqg s VAL 162 N 0.40 0.59 -0.24 2.92 1.01 0.61 -0.49 120.40 125.20 1xqg s VAL 162 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1xqg s VAL 162 Cb -0.14 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.57 1xqg s VAL 162 CO 0.06 0.27 -0.09 0.20 0.00 0.00 0.00 175.10 175.53 1xqg s ASN 163 N 1.88 4.00 -0.15 3.32 0.02 0.86 -1.39 114.94 123.48 1xqg s ASN 163 Ca 0.05 -1.20 0.00 0.00 -1.02 0.00 0.00 52.86 50.69 1xqg s ASN 163 Cb -0.13 -1.37 0.03 0.00 0.02 0.00 0.00 41.25 39.80 1xqg s ASN 163 CO -0.06 -0.19 -0.10 0.00 0.02 0.00 0.00 177.10 176.77 1xqg s ALA 164 N 1.26 1.64 0.01 0.60 0.00 -0.20 -0.34 121.76 124.73 1xqg s ALA 164 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1xqg s ALA 164 Cb -0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1xqg s ALA 164 CO -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 175.76 175.15 1xqg s ALA 165 N 1.57 0.10 0.22 0.00 0.00 -0.78 -0.21 121.76 122.65 1xqg s ALA 165 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1xqg s ALA 165 Cb -0.14 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1xqg s ALA 165 CO -0.09 -0.09 0.21 1.52 0.00 0.00 0.00 175.76 177.31 1xqg s TYR 166 N -0.89 1.01 -0.30 0.00 -0.85 -0.31 -1.70 117.35 114.31 1xqg s TYR 166 Ca -0.10 -1.25 -0.16 0.00 -0.52 0.00 0.00 57.07 55.04 1xqg s TYR 166 Cb -0.06 -0.40 0.17 0.00 0.38 0.00 0.00 41.96 42.05 1xqg s TYR 166 CO -0.01 -0.73 1.06 0.12 -1.52 0.00 0.00 175.55 174.47 1xqg s PHE 167 N -4.09 -0.49 -0.34 -3.49 5.36 -0.40 -2.54 117.98 111.99 1xqg s PHE 167 Ca 0.35 0.90 -0.09 0.00 -0.96 0.00 0.00 56.93 57.14 1xqg s PHE 167 Cb 0.05 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 43.05 1xqg s PHE 167 CO 0.12 -0.24 0.15 0.08 -1.46 0.00 0.00 175.22 173.87 1xqg s VAL 168 N 1.86 4.25 0.24 3.12 1.01 -1.02 -1.96 120.40 127.90 1xqg s VAL 168 Ca -0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1xqg s VAL 168 Cb -0.04 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1xqg s VAL 168 CO -0.15 -0.12 1.27 -0.83 0.00 0.00 0.00 175.10 175.26 1xqg s GLY 169 N 1.51 2.70 -0.26 4.51 0.00 -0.67 -4.50 107.32 110.61 1xqg s GLY 169 Ca 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 44.72 45.82 1xqg s GLY 169 CO 0.05 1.93 0.06 1.25 0.00 0.00 0.00 173.10 176.38 1xqg s LYS 170 N -0.74 0.77 1.04 2.90 2.20 -1.26 -4.42 119.74 120.24 1xqg s LYS 170 Ca 0.53 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1xqg s LYS 170 Cb -0.36 -2.07 0.21 0.00 -1.51 0.00 0.00 37.83 34.10 1xqg s LYS 170 CO 0.42 -0.81 1.10 -1.58 -0.36 0.00 0.00 175.35 174.12 1xqg s TRP 171 N 1.70 1.80 0.04 4.03 0.52 -0.17 -1.23 118.94 125.64 1xqg s TRP 171 Ca 0.04 0.87 -0.04 0.00 0.02 0.00 0.00 56.10 56.98 1xqg s TRP 171 Cb -0.17 -3.32 -0.29 0.00 -1.15 0.00 0.00 33.47 28.55 1xqg s TRP 171 CO -0.17 -3.10 1.02 1.98 0.02 0.00 0.00 176.95 176.70 1xqg h MET 172 N -2.04 0.28 -3.78 4.98 1.85 -1.67 -0.02 114.93 114.53 1xqg h MET 172 Ca -0.53 -0.47 -0.68 0.00 -0.61 0.00 0.00 59.70 57.41 1xqg h MET 172 Cb 1.33 0.18 -0.37 0.00 0.43 0.00 0.00 31.60 33.16 1xqg h MET 172 CO 0.54 1.19 -0.49 0.15 -0.40 0.00 0.00 176.91 177.90 1xqg s LYS 173 N -2.64 2.24 0.68 0.39 1.02 -1.26 -3.30 119.74 116.88 1xqg s LYS 173 Ca -0.06 -2.39 -0.17 0.00 0.02 0.00 0.00 55.97 53.38 1xqg s LYS 173 Cb 0.07 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1xqg s LYS 173 CO 0.88 -1.12 0.86 0.36 -0.92 0.00 0.00 175.35 175.40 1xqg n LYS 174 N 3.64 0.57 -3.68 1.68 2.85 -0.48 -4.86 118.16 117.87 1xqg n LYS 174 Ca 0.05 0.24 -0.35 0.00 -1.05 0.00 0.00 58.31 57.20 1xqg n LYS 174 Cb 0.37 -2.11 -0.05 0.00 -0.65 0.00 0.00 35.03 32.59 1xqg n LYS 174 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xqg s PHE 175 N -1.74 3.60 -0.23 5.58 0.40 -0.26 -4.94 117.98 120.39 1xqg s PHE 175 Ca 0.73 0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 57.51 1xqg s PHE 175 Cb -0.37 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1xqg s PHE 175 CO 0.51 0.60 0.77 0.45 0.70 0.00 0.00 175.22 178.25 1xqg s SER 176 N -1.57 6.78 0.56 1.36 0.15 -1.26 -4.66 113.70 115.06 1xqg s SER 176 Ca 0.27 0.97 0.27 0.00 0.70 0.00 0.00 55.95 58.16 1xqg s SER 176 Cb -0.14 -2.41 1.48 0.00 -1.71 0.00 0.00 66.02 63.25 1xqg s SER 176 CO 0.15 -0.44 2.00 -0.33 1.20 0.00 0.00 173.24 175.82 1xqg h GLU 177 N 7.65 0.00 0.00 5.44 5.08 -1.96 0.24 114.58 131.03 1xqg h GLU 177 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xqg h GLU 177 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xqg h GLU 177 CO 0.84 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.72 1xqg n SER 178 N -4.08 0.00 0.00 1.42 3.41 -1.26 -2.49 113.62 110.63 1xqg n SER 178 Ca 0.07 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1xqg n SER 178 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.64 -0.14 -3.29 4.33 -0.58 0.84 -4.99 120.64 116.16 1xqg n GLU 179 Ca 0.06 -0.62 -0.38 0.00 -0.42 0.00 0.00 57.16 55.80 1xqg n GLU 179 Cb 0.03 -0.93 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.18 5.16 0.00 2.62 2.01 -1.04 -3.25 115.64 120.97 1xqg s THR 180 Ca 0.00 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 1xqg s THR 180 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1xqg s THR 180 CO 0.00 0.26 0.07 -1.59 -0.69 0.00 0.00 174.62 172.66 1xqg s LYS 181 N 1.08 0.35 0.08 4.92 -2.85 -0.69 -4.92 119.74 117.71 1xqg s LYS 181 Ca 0.25 -0.38 -0.31 0.00 -1.00 0.00 0.00 55.97 54.52 1xqg s LYS 181 Cb -0.15 0.14 -0.10 0.00 -2.06 0.00 0.00 37.83 35.65 1xqg s LYS 181 CO 0.10 -0.07 1.88 0.39 0.10 0.00 0.00 175.35 177.75 1xqg n GLU 182 N 1.79 2.76 -3.64 1.78 1.02 -1.26 -2.17 120.64 120.93 1xqg n GLU 182 Ca -0.21 1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.82 1xqg n GLU 182 Cb 0.56 -2.92 -0.05 0.00 -0.02 0.00 0.00 31.44 29.01 1xqg n GLU 182 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1xqg s SER 183 N 3.32 -0.27 0.48 1.62 1.04 -0.42 -4.94 113.70 114.53 1xqg s SER 183 Ca 0.85 -0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.90 1xqg s SER 183 Cb -0.49 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.02 1xqg s SER 183 CO 0.40 -0.77 1.17 -2.16 0.98 0.00 0.00 173.24 172.86 1xqg s PRO 184 N -3.18 3.62 -0.21 4.02 0.04 -1.26 -1.26 135.00 136.77 1xqg s PRO 184 Ca -0.01 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1xqg s PRO 184 Cb 0.01 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1xqg s PRO 184 CO -0.07 -0.67 -0.13 0.12 0.04 0.00 0.00 177.00 176.28 1xqg s PHE 185 N -1.57 2.77 0.14 0.56 5.36 0.17 -4.87 117.98 120.54 1xqg s PHE 185 Ca 0.66 -1.82 -0.31 0.00 -0.96 0.00 0.00 56.93 54.50 1xqg s PHE 185 Cb -0.28 -1.81 -0.08 0.00 -0.34 0.00 0.00 43.02 40.50 1xqg s PHE 185 CO 0.34 -0.80 1.38 1.03 -1.46 0.00 0.00 175.22 175.71 1xqg s ARG 186 N 1.28 4.33 -0.03 10.12 0.52 -0.10 -1.07 118.95 134.00 1xqg s ARG 186 Ca -0.02 2.10 0.20 0.00 -0.52 0.00 0.00 55.73 57.50 1xqg s ARG 186 Cb -0.16 -3.22 -0.31 0.00 0.52 0.00 0.00 34.95 31.77 1xqg s ARG 186 CO -0.09 -0.41 0.47 1.33 0.02 0.00 0.00 175.30 176.63 1xqg n VAL 187 N 3.58 0.00 -3.80 3.52 0.24 -0.18 -3.65 118.33 118.04 1xqg n VAL 187 Ca 0.10 -0.44 -0.05 0.00 -2.04 0.00 0.00 64.34 61.92 1xqg n VAL 187 Cb 0.42 0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 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 -4.25 -0.17 0.11 -1.34 2.20 -1.23 -4.33 114.94 105.93 1xqg s ASN 188 Ca -0.07 -0.55 -0.08 0.00 -0.94 0.00 0.00 52.86 51.23 1xqg s ASN 188 Cb 0.13 0.59 0.12 0.00 -2.00 0.00 0.00 41.25 40.09 1xqg s ASN 188 CO 0.84 -1.11 0.71 0.29 -2.94 0.00 0.00 177.10 174.90 1xqg n LYS 189 N -0.49 -0.10 -0.01 3.55 5.02 -1.26 -2.55 118.16 122.32 1xqg n LYS 189 Ca -0.05 0.71 0.07 0.00 -2.02 0.00 0.00 58.31 57.01 1xqg n LYS 189 Cb 0.60 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.45 1xqg n LYS 189 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xqg n THR 190 N -4.68 0.00 -3.74 -0.18 -2.24 -1.26 -5.04 114.28 97.14 1xqg n THR 190 Ca 0.05 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 1xqg n THR 190 Cb 0.19 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.49 6.47 0.10 3.42 1.01 -1.06 -5.04 116.67 118.09 1xqg s ASP 191 Ca -0.04 0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.75 1xqg s ASP 191 Cb 0.09 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1xqg s ASP 191 CO 0.58 0.12 -0.04 0.42 0.21 0.00 0.00 175.17 176.45 1xqg s THR 192 N -1.55 0.57 0.00 -1.27 -4.23 -1.26 -1.01 115.64 106.90 1xqg s THR 192 Ca 0.37 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1xqg s THR 192 Cb -0.13 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 1xqg s THR 192 CO 0.24 -0.81 -0.04 -0.54 -0.54 0.00 0.00 174.62 172.93 1xqg s LYS 193 N -3.88 0.34 0.76 3.99 3.01 -0.24 -4.87 119.74 118.86 1xqg s LYS 193 Ca 0.14 -0.24 -0.14 0.00 -1.01 0.00 0.00 55.97 54.72 1xqg s LYS 193 Cb 0.06 -0.28 0.06 0.00 -1.01 0.00 0.00 37.83 36.65 1xqg s LYS 193 CO -0.04 0.07 1.19 -2.14 0.51 0.00 0.00 175.35 174.94 1xqg s PRO 194 N -0.34 1.99 -0.16 -1.68 0.02 -1.26 0.43 135.00 133.99 1xqg s PRO 194 Ca -0.01 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.39 1xqg s PRO 194 Cb -0.03 -1.82 0.13 0.00 0.02 0.00 0.00 34.50 32.79 1xqg s PRO 194 CO -0.00 -1.93 1.01 0.54 -0.33 0.00 0.00 177.00 176.29 1xqg s VAL 195 N -2.16 0.00 -0.82 3.83 0.11 -0.39 -4.73 120.40 116.24 1xqg s VAL 195 Ca 0.72 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.53 1xqg s VAL 195 Cb -0.27 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.64 1xqg s VAL 195 CO 0.48 0.00 1.23 -1.58 -3.33 0.00 0.00 175.10 171.90 1xqg s GLN 196 N -1.10 3.34 -0.24 1.54 2.00 -1.26 -1.30 119.66 122.63 1xqg s GLN 196 Ca -0.02 -0.83 -0.27 0.00 -2.00 0.00 0.00 55.36 52.25 1xqg s GLN 196 Cb -0.00 -4.62 0.00 0.00 0.80 0.00 0.00 33.01 29.19 1xqg s GLN 196 CO 0.01 -2.04 0.93 -1.64 -0.50 0.00 0.00 175.29 172.06 1xqg s MET 197 N 4.72 4.21 -0.10 1.67 -1.94 -0.92 -0.10 119.30 126.83 1xqg s MET 197 Ca 0.35 1.12 -0.24 0.00 -1.71 0.00 0.00 55.69 55.20 1xqg s MET 197 Cb -0.07 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.09 1xqg s MET 197 CO 0.04 -0.59 0.77 -1.64 -0.01 0.00 0.00 175.02 173.58 1xqg s MET 198 N 3.04 4.39 -0.06 2.03 -1.94 -0.47 -1.70 119.30 124.59 1xqg s MET 198 Ca 0.39 0.96 0.06 0.00 -1.71 0.00 0.00 55.69 55.39 1xqg s MET 198 Cb -0.15 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 1xqg s MET 198 CO 0.07 -0.09 -0.24 -0.80 -0.01 0.00 0.00 175.02 173.94 1xqg s ASN 199 N 0.96 3.00 0.04 3.03 0.01 -1.20 -2.10 114.94 118.68 1xqg s ASN 199 Ca 0.39 -0.50 -0.27 0.00 -0.71 0.00 0.00 52.86 51.76 1xqg s ASN 199 Cb -0.18 -0.84 0.07 0.00 0.41 0.00 0.00 41.25 40.72 1xqg s ASN 199 CO 0.17 0.24 0.67 0.00 -1.51 0.00 0.00 177.10 176.66 1xqg s MET 200 N -0.14 1.13 -0.21 -0.60 0.23 0.93 -4.54 119.30 116.10 1xqg s MET 200 Ca -0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 55.69 54.55 1xqg s MET 200 Cb -0.14 0.52 0.04 0.00 -1.53 0.00 0.00 34.83 33.73 1xqg s MET 200 CO 0.04 -0.42 -0.11 -2.00 -2.03 0.00 0.00 175.02 170.49 1xqg s GLU 201 N -2.38 2.11 0.19 3.16 2.12 -1.26 0.58 118.70 123.21 1xqg s GLU 201 Ca -0.05 -0.93 -0.24 0.00 0.36 0.00 0.00 54.97 54.11 1xqg s GLU 201 Cb -0.00 -2.52 0.06 0.00 0.26 0.00 0.00 34.13 31.93 1xqg s GLU 201 CO -0.01 -0.44 0.93 0.00 -0.54 0.00 0.00 175.26 175.19 1xqg s ALA 202 N 1.34 -1.54 -0.17 6.30 0.00 -0.70 -4.93 121.76 122.06 1xqg s ALA 202 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1xqg s ALA 202 Cb -0.17 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1xqg s ALA 202 CO -0.08 -1.04 1.33 0.99 0.00 0.00 0.00 175.76 176.96 1xqg s THR 203 N -3.23 4.15 0.03 0.00 2.01 -1.26 -0.57 115.64 116.77 1xqg s THR 203 Ca 0.13 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.53 1xqg s THR 203 Cb -0.02 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1xqg s THR 203 CO 0.04 -0.18 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.35 1xqg s PHE 204 N 3.76 0.70 -0.07 4.92 0.08 -0.82 -4.89 117.98 121.66 1xqg s PHE 204 Ca 0.58 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 1xqg s PHE 204 Cb -0.23 -0.42 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 1xqg s PHE 204 CO 0.18 -0.05 1.03 0.45 -0.10 0.00 0.00 175.22 176.73 1xqg s SER 205 N -1.22 7.25 0.26 1.36 0.15 -1.26 -1.66 113.70 118.57 1xqg s SER 205 Ca -0.06 1.60 -0.07 0.00 0.70 0.00 0.00 55.95 58.12 1xqg s SER 205 Cb -0.08 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1xqg s SER 205 CO 0.00 -0.42 0.46 1.15 1.20 0.00 0.00 173.24 175.63 1xqg n MET 206 N 4.78 0.66 -3.68 5.44 0.00 -1.19 -1.20 117.12 121.93 1xqg n MET 206 Ca 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 57.70 56.13 1xqg n MET 206 Cb 0.49 1.87 0.01 0.00 0.00 0.00 0.00 33.22 35.59 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 -0.37 0.44 3.14 3.17 0.00 -1.00 -2.03 105.19 108.54 1xqg n GLY 207 Ca -0.04 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.36 2.49 -0.55 1.61 0.02 -1.26 -2.18 114.94 111.70 1xqg s ASN 208 Ca 0.24 -0.44 -0.09 0.00 -1.02 0.00 0.00 52.86 51.56 1xqg s ASN 208 Cb -0.01 -1.06 0.14 0.00 0.02 0.00 0.00 41.25 40.34 1xqg s ASN 208 CO 0.02 0.12 0.43 -0.63 0.02 0.00 0.00 177.10 177.05 1xqg s ILE 209 N 0.39 4.33 0.23 0.60 1.01 -0.46 -4.91 121.20 122.38 1xqg s ILE 209 Ca -0.15 -2.10 0.18 0.00 0.00 0.00 0.00 60.65 58.59 1xqg s ILE 209 Cb -0.16 -3.81 0.14 0.00 0.01 0.00 0.00 42.46 38.63 1xqg s ILE 209 CO 0.06 -0.83 1.78 0.44 0.00 0.00 0.00 174.94 176.38 1xqg h ASP 210 N 8.10 0.00 -0.93 3.58 3.32 -1.95 0.07 116.42 128.60 1xqg h ASP 210 Ca -0.13 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.02 1xqg h ASP 210 Cb 1.05 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 1xqg h ASP 210 CO 0.82 0.36 0.57 -1.28 -1.72 0.00 0.00 179.24 177.99 1xqg h SER 211 N 0.00 0.86 -0.25 6.45 0.87 -1.94 -1.43 113.55 118.11 1xqg h SER 211 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1xqg h SER 211 Cb 0.81 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1xqg h SER 211 CO 0.05 0.50 0.00 2.30 -0.53 0.00 0.00 176.83 179.14 1xqg n ILE 212 N -4.64 2.13 -4.04 2.23 -5.35 -1.19 -4.99 119.36 103.52 1xqg n ILE 212 Ca 0.16 -1.81 -0.40 0.00 -0.27 0.00 0.00 62.75 60.43 1xqg n ILE 212 Cb 0.28 -0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.02 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 -0.47 -3.28 -3.06 7.28 2.85 -0.54 -4.85 115.26 113.20 1xqg n ASN 213 Ca 0.20 -1.10 -0.18 0.00 -0.11 0.00 0.00 54.58 53.39 1xqg n ASN 213 Cb 0.83 -1.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.46 1xqg n ASN 213 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xqg n SER 214 N -1.64 -0.64 -4.09 1.20 7.64 -0.06 -2.25 113.62 113.79 1xqg n SER 214 Ca -0.10 -3.02 -0.17 0.00 1.01 0.00 0.00 58.87 56.59 1xqg n SER 214 Cb 0.47 1.54 -0.13 0.00 -1.01 0.00 0.00 64.21 65.08 1xqg n SER 214 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xqg s LYS 215 N -3.25 0.72 0.11 1.43 1.02 0.42 -1.36 119.74 118.84 1xqg s LYS 215 Ca 0.37 -0.65 0.09 0.00 0.02 0.00 0.00 55.97 55.79 1xqg s LYS 215 Cb 0.02 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1xqg s LYS 215 CO 0.26 0.16 -0.18 -1.50 -0.92 0.00 0.00 175.35 173.17 1xqg s ILE 216 N -0.86 2.83 -0.12 2.17 1.10 -0.93 -1.08 121.20 124.32 1xqg s ILE 216 Ca -0.02 -1.48 -0.17 0.00 -0.51 0.00 0.00 60.65 58.48 1xqg s ILE 216 Cb -0.07 -2.29 0.04 0.00 0.15 0.00 0.00 42.46 40.29 1xqg s ILE 216 CO 0.01 0.12 0.43 -0.51 -2.11 0.00 0.00 174.94 172.88 1xqg s ILE 217 N -1.12 0.01 -0.26 2.00 2.07 -1.01 -2.36 121.20 120.53 1xqg s ILE 217 Ca 0.18 -0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1xqg s ILE 217 Cb -0.11 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.83 1xqg s ILE 217 CO 0.10 -0.07 0.05 -0.70 -1.91 0.00 0.00 174.94 172.40 1xqg s GLU 218 N -0.30 3.31 -0.65 3.50 2.12 -0.34 -2.15 118.70 124.19 1xqg s GLU 218 Ca -0.04 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 54.53 1xqg s GLU 218 Cb -0.03 -3.26 0.17 0.00 0.26 0.00 0.00 34.13 31.26 1xqg s GLU 218 CO 0.02 -0.31 0.49 -0.51 -0.54 0.00 0.00 175.26 174.41 1xqg s LEU 219 N 1.52 5.53 0.48 2.70 1.43 0.17 -4.25 118.68 126.27 1xqg s LEU 219 Ca 0.04 -2.76 -0.22 0.00 -1.03 0.00 0.00 54.13 50.17 1xqg s LEU 219 Cb -0.16 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 1xqg s LEU 219 CO 0.01 -0.43 1.14 -2.16 0.23 0.00 0.00 176.35 175.15 1xqg s PRO 220 N 0.08 3.67 0.51 1.29 0.04 -1.26 -0.73 135.00 138.60 1xqg s PRO 220 Ca 0.16 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1xqg s PRO 220 Cb -0.19 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1xqg s PRO 220 CO -0.04 -0.60 0.77 -0.06 0.04 0.00 0.00 177.00 177.11 1xqg s PHE 221 N -1.64 3.21 -0.13 0.56 0.08 0.63 -2.57 117.98 118.12 1xqg s PHE 221 Ca 0.66 0.38 -0.34 0.00 0.12 0.00 0.00 56.93 57.75 1xqg s PHE 221 Cb -0.26 -2.51 -0.16 0.00 -0.57 0.00 0.00 43.02 39.51 1xqg s PHE 221 CO 0.31 -0.58 1.00 0.94 -0.10 0.00 0.00 175.22 176.79 1xqg n GLN 222 N -2.30 0.00 -3.79 0.44 7.27 -0.37 -0.67 117.38 117.97 1xqg n GLN 222 Ca 0.03 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.84 1xqg n GLN 222 Cb 0.58 -1.21 0.04 0.00 2.41 0.00 0.00 30.24 32.05 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 1.85 -3.63 -0.90 1.69 3.02 -1.26 -3.84 115.26 112.18 1xqg n ASN 223 Ca 0.19 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1xqg n ASN 223 Cb 0.03 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1xqg n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xqg n LYS 224 N -4.56 -1.09 -0.08 3.52 5.02 0.15 -4.75 118.16 116.37 1xqg n LYS 224 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1xqg n LYS 224 Cb 0.59 -2.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 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 0.46 -4.00 2.13 3.86 -1.72 -3.44 115.15 112.44 1xqg h HIS 225 Ca 0.00 -0.08 -0.59 0.00 -1.16 0.00 0.00 60.37 58.53 1xqg h HIS 225 Cb 0.20 -0.12 -0.23 0.00 1.06 0.00 0.00 27.41 28.32 1xqg h HIS 225 CO 0.18 0.61 -0.84 -0.51 0.86 0.00 0.00 177.93 178.22 1xqg s LEU 226 N -9.46 2.27 0.00 2.43 1.43 -1.26 -2.69 118.68 111.40 1xqg s LEU 226 Ca -0.14 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1xqg s LEU 226 Cb 0.07 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 1xqg s LEU 226 CO 0.74 0.11 -0.10 -0.44 0.23 0.00 0.00 176.35 176.90 1xqg s SER 227 N -1.73 1.17 -0.20 2.29 0.01 -0.69 -0.27 113.70 114.28 1xqg s SER 227 Ca 0.08 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 1xqg s SER 227 Cb -0.10 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1xqg s SER 227 CO 0.04 0.08 0.12 -0.32 0.41 0.00 0.00 173.24 173.58 1xqg s MET 228 N -0.44 4.15 -0.29 12.44 1.75 0.09 -1.15 119.30 135.85 1xqg s MET 228 Ca 0.02 -0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.18 1xqg s MET 228 Cb -0.05 -3.40 0.03 0.00 2.84 0.00 0.00 34.83 34.25 1xqg s MET 228 CO -0.00 0.28 0.03 -0.06 -0.65 0.00 0.00 175.02 174.61 1xqg s PHE 229 N 0.42 3.17 -0.25 4.11 0.40 -0.30 0.46 117.98 126.00 1xqg s PHE 229 Ca 0.07 -1.42 -0.11 0.00 -0.60 0.00 0.00 56.93 54.87 1xqg s PHE 229 Cb -0.11 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1xqg s PHE 229 CO -0.01 -0.70 0.20 0.42 0.70 0.00 0.00 175.22 175.83 1xqg s ILE 230 N 1.38 5.32 -0.43 0.64 1.01 -0.91 -2.02 121.20 126.19 1xqg s ILE 230 Ca -0.01 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1xqg s ILE 230 Cb -0.18 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.85 1xqg s ILE 230 CO -0.00 0.30 0.26 -0.22 0.00 0.00 0.00 174.94 175.28 1xqg s LEU 231 N 1.29 5.29 -0.11 2.97 2.96 0.18 -2.40 118.68 128.86 1xqg s LEU 231 Ca 0.09 -1.75 0.02 0.00 -0.22 0.00 0.00 54.13 52.26 1xqg s LEU 231 Cb -0.14 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1xqg s LEU 231 CO 0.07 -0.58 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.14 1xqg s LEU 232 N 1.33 2.58 0.63 -0.68 2.96 -0.24 -2.58 118.68 122.68 1xqg s LEU 232 Ca 0.05 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 1xqg s LEU 232 Cb -0.24 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1xqg s LEU 232 CO -0.01 0.20 1.18 -2.84 -1.32 0.00 0.00 176.35 173.56 1xqg s PRO 233 N 0.14 2.78 0.47 0.98 0.02 -1.26 -0.44 135.00 137.69 1xqg s PRO 233 Ca -0.08 1.70 0.25 0.00 0.02 0.00 0.00 61.00 62.89 1xqg s PRO 233 Cb -0.15 -1.92 1.16 0.00 0.02 0.00 0.00 34.50 33.61 1xqg s PRO 233 CO 0.05 -1.33 1.94 0.87 -0.33 0.00 0.00 177.00 178.21 1xqg h LYS 234 N 0.47 0.00 -2.75 5.54 1.57 -1.77 -3.45 116.57 116.17 1xqg h LYS 234 Ca -0.49 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1xqg h LYS 234 Cb 1.28 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.46 1xqg h LYS 234 CO 0.54 0.19 0.29 0.34 -0.57 0.00 0.00 179.45 180.24 1xqg s ASP 235 N -6.21 -0.52 -0.99 0.86 3.68 -1.26 -5.10 116.67 107.13 1xqg s ASP 235 Ca -0.01 0.03 -0.23 0.00 2.13 0.00 0.00 52.55 54.47 1xqg s ASP 235 Cb 0.12 0.54 0.05 0.00 -1.45 0.00 0.00 42.92 42.18 1xqg s ASP 235 CO 0.62 -0.86 1.43 -0.69 0.13 0.00 0.00 175.17 175.80 1xqg s VAL 236 N -3.46 3.92 -0.74 1.11 1.01 -1.26 -4.91 120.40 116.08 1xqg s VAL 236 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1xqg s VAL 236 Cb -0.01 -5.04 0.34 0.00 0.00 0.00 0.00 36.38 31.67 1xqg s VAL 236 CO -0.11 -1.92 1.35 -0.62 0.00 0.00 0.00 175.10 173.80 1xqg n GLU 237 N 8.87 3.99 -3.76 2.72 1.02 -1.26 -4.65 120.64 127.57 1xqg n GLU 237 Ca 0.30 -4.66 -0.03 0.00 -0.02 0.00 0.00 57.16 52.76 1xqg n GLU 237 Cb 0.51 -2.32 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 1xqg n GLU 237 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1xqg s ASP 238 N -2.56 -0.13 0.00 1.62 1.47 -1.26 -4.98 116.67 110.83 1xqg s ASP 238 Ca 0.46 -0.42 0.16 0.00 1.18 0.00 0.00 52.55 53.93 1xqg s ASP 238 Cb 0.27 0.45 0.95 0.00 -0.34 0.00 0.00 42.92 44.25 1xqg s ASP 238 CO -0.16 -0.84 1.40 -0.62 0.68 0.00 0.00 175.17 175.63 1xqg n GLU 239 N -0.51 0.66 0.00 2.11 -0.58 -1.26 -4.62 120.64 116.44 1xqg n GLU 239 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1xqg n GLU 239 Cb 0.61 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 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 -0.87 0.00 0.21 1.62 3.41 -1.26 -4.96 113.62 111.76 1xqg n SER 240 Ca 0.12 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.83 1xqg n SER 240 Cb 0.05 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.23 1xqg n SER 240 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xqg h THR 241 N 0.00 0.28 0.00 6.66 1.35 -1.86 -3.38 112.91 115.96 1xqg h THR 241 Ca 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1xqg h THR 241 Cb 0.00 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1xqg h THR 241 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1xqg n GLY 242 N 0.90 0.79 0.73 5.82 0.00 -1.26 -4.42 105.19 107.75 1xqg n GLY 242 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.22 0.11 0.99 4.77 -1.26 -4.64 117.00 120.19 1xqg n LEU 243 Ca 0.00 -2.28 -0.13 0.00 -0.03 0.00 0.00 56.01 53.57 1xqg n LEU 243 Cb 0.00 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 1xqg n LEU 243 CO 0.00 0.72 0.80 -0.33 -1.33 0.00 0.00 177.39 177.25 1xqg h GLU 244 N 2.02 -0.18 -0.09 3.23 5.08 -1.96 -1.17 114.58 121.50 1xqg h GLU 244 Ca 0.00 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1xqg h GLU 244 Cb 0.94 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1xqg h GLU 244 CO 0.06 -0.09 -0.46 -0.22 -1.00 0.00 0.00 179.01 177.31 1xqg h LYS 245 N -0.23 0.21 -0.43 2.33 3.64 -1.95 -1.45 116.57 118.69 1xqg h LYS 245 Ca -0.02 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1xqg h LYS 245 Cb 0.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xqg h LYS 245 CO 0.03 0.63 -0.12 0.82 -2.27 0.00 0.00 179.45 178.54 1xqg h ILE 246 N 0.17 1.27 -0.11 2.00 2.04 -1.84 -2.59 117.51 118.46 1xqg h ILE 246 Ca 0.01 -1.23 -0.17 0.00 1.00 0.00 0.00 64.86 64.46 1xqg h ILE 246 Cb 0.88 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xqg h ILE 246 CO 0.07 0.42 -0.67 -0.33 0.00 0.00 0.00 178.15 177.64 1xqg h GLU 247 N 0.66 0.44 -0.44 2.37 5.08 -1.10 -2.22 114.58 119.38 1xqg h GLU 247 Ca 0.11 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1xqg h GLU 247 Cb 0.66 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1xqg h GLU 247 CO 0.05 0.95 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.71 1xqg h LYS 248 N 0.31 0.76 -0.01 2.33 3.64 -1.21 -2.84 116.57 119.55 1xqg h LYS 248 Ca -0.02 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1xqg h LYS 248 Cb 1.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1xqg h LYS 248 CO 0.12 0.82 -0.15 1.04 -2.27 0.00 0.00 179.45 179.01 1xqg n GLN 249 N -4.18 1.18 -2.56 1.90 6.02 -0.98 -4.93 117.38 113.83 1xqg n GLN 249 Ca 0.02 -0.69 -0.40 0.00 -0.01 0.00 0.00 57.00 55.91 1xqg n GLN 249 Cb 0.34 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.29 4.56 -0.09 1.08 2.96 -0.84 -4.77 118.68 119.28 1xqg s LEU 250 Ca 0.30 2.13 -0.32 0.00 -0.22 0.00 0.00 54.13 56.02 1xqg s LEU 250 Cb 0.20 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.40 1xqg s LEU 250 CO 0.44 -0.09 1.20 0.54 -1.32 0.00 0.00 176.35 177.12 1xqg s ASN 251 N -0.70 -0.13 0.31 3.68 2.20 -1.26 -4.99 114.94 114.05 1xqg s ASN 251 Ca 0.45 -0.08 0.04 0.00 -0.94 0.00 0.00 52.86 52.33 1xqg s ASN 251 Cb -0.30 0.19 0.80 0.00 -2.00 0.00 0.00 41.25 39.95 1xqg s ASN 251 CO 0.37 -0.33 1.59 0.77 -2.94 0.00 0.00 177.10 176.56 1xqg h SER 252 N 2.00 -0.27 0.55 3.54 4.64 -1.87 0.17 113.55 122.31 1xqg h SER 252 Ca -0.19 0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1xqg h SER 252 Cb 1.19 0.41 0.01 0.00 -0.31 0.00 0.00 62.40 63.69 1xqg h SER 252 CO 0.26 -0.32 -0.27 -0.08 -0.87 0.00 0.00 176.83 175.55 1xqg h GLU 253 N 0.05 -0.72 -0.90 4.77 4.81 -1.97 -3.04 114.58 117.58 1xqg h GLU 253 Ca 0.61 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.93 1xqg h GLU 253 Cb 1.31 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 1xqg h GLU 253 CO -0.83 -0.48 0.58 0.66 -0.73 0.00 0.00 179.01 178.21 1xqg h SER 254 N -1.13 0.95 -0.59 1.04 4.64 -1.68 -2.33 113.55 114.45 1xqg h SER 254 Ca -0.08 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xqg h SER 254 Cb 0.57 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1xqg h SER 254 CO 0.12 0.64 0.34 0.25 -0.87 0.00 0.00 176.83 177.32 1xqg h LEU 255 N 1.11 0.53 -1.72 5.97 7.12 -0.81 0.26 115.31 127.77 1xqg h LEU 255 Ca 0.37 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.45 1xqg h LEU 255 Cb 0.05 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.06 1xqg h LEU 255 CO -0.13 0.37 0.29 -1.28 -0.13 0.00 0.00 178.44 177.55 1xqg h SER 256 N 0.66 0.30 0.04 1.25 0.87 -1.30 -1.70 113.55 113.68 1xqg h SER 256 Ca 0.25 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1xqg h SER 256 Cb 0.08 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1xqg h SER 256 CO -0.13 0.20 -0.28 1.56 -0.53 0.00 0.00 176.83 177.65 1xqg h GLN 257 N 0.35 0.12 0.00 2.24 4.20 -0.88 -3.18 115.11 117.96 1xqg h GLN 257 Ca 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1xqg h GLN 257 Cb 0.28 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1xqg h GLN 257 CO -0.04 1.05 -0.04 -1.49 -0.67 0.00 0.00 178.83 177.64 1xqg h TRP 258 N -0.71 0.00 -0.18 2.96 6.55 -0.19 -2.72 115.95 121.66 1xqg h TRP 258 Ca -0.05 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.73 1xqg h TRP 258 Cb 1.18 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.44 1xqg h TRP 258 CO 0.23 0.04 -0.12 0.25 -1.05 0.00 0.00 178.44 177.79 1xqg n THR 259 N -3.65 2.27 -2.60 1.49 -2.24 -0.67 -4.86 114.28 104.02 1xqg n THR 259 Ca -0.02 -2.52 -0.43 0.00 -2.27 0.00 0.00 64.05 58.80 1xqg n THR 259 Cb 0.14 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.61 6.80 0.49 3.42 2.47 -1.03 -4.91 114.94 119.56 1xqg s ASN 260 Ca 0.40 0.87 0.23 0.00 0.42 0.00 0.00 52.86 54.78 1xqg s ASN 260 Cb 0.35 -2.55 1.25 0.00 -1.45 0.00 0.00 41.25 38.86 1xqg s ASN 260 CO 0.01 -1.04 2.01 1.55 -3.72 0.00 0.00 177.10 175.92 1xqg h PRO 261 N 8.64 0.00 -0.78 0.43 0.13 -1.91 -3.08 132.00 135.43 1xqg h PRO 261 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1xqg h PRO 261 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1xqg h PRO 261 CO 1.07 0.17 0.47 0.77 -0.23 0.00 0.00 178.00 180.24 1xqg h SER 262 N 0.00 0.94 0.80 1.44 0.02 -1.99 -2.59 113.55 112.17 1xqg h SER 262 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1xqg h SER 262 Cb 0.41 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xqg h SER 262 CO 0.02 0.73 -0.01 0.35 -1.14 0.00 0.00 176.83 176.78 1xqg n THR 263 N -4.48 0.00 -4.11 -2.27 -2.24 -1.16 -4.84 114.28 95.18 1xqg n THR 263 Ca 0.07 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 1xqg n THR 263 Cb 0.06 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 1xqg n THR 263 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xqg s MET 264 N -2.81 2.83 0.06 -0.78 0.23 -0.98 -4.96 119.30 112.89 1xqg s MET 264 Ca 0.20 -0.67 0.06 0.00 -1.03 0.00 0.00 55.69 54.25 1xqg s MET 264 Cb 0.20 -2.70 -0.03 0.00 -1.53 0.00 0.00 34.83 30.76 1xqg s MET 264 CO 0.50 0.58 -0.16 0.00 -2.03 0.00 0.00 175.02 173.92 1xqg s ALA 265 N -1.29 1.32 0.59 3.16 0.00 -0.86 -4.75 121.76 119.92 1xqg s ALA 265 Ca 0.26 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 1xqg s ALA 265 Cb -0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 1xqg s ALA 265 CO 0.18 0.23 0.24 0.09 0.00 0.00 0.00 175.76 176.50 1xqg n ASN 266 N 1.51 -2.21 -3.63 0.00 3.02 -1.26 -3.18 115.26 109.51 1xqg n ASN 266 Ca -0.19 0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 54.92 1xqg n ASN 266 Cb 0.54 -1.05 -0.07 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 -1.86 -1.97 -0.48 5.41 0.00 -0.66 -4.67 121.76 117.53 1xqg s ALA 267 Ca 0.63 1.83 -0.27 0.00 0.00 0.00 0.00 51.96 54.15 1xqg s ALA 267 Cb -0.44 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1xqg s ALA 267 CO 0.60 -0.24 1.91 0.21 0.00 0.00 0.00 175.76 178.24 1xqg s LYS 268 N 0.05 2.83 -0.15 0.00 2.47 -0.23 -1.95 119.74 122.76 1xqg s LYS 268 Ca 0.03 1.04 -0.07 0.00 -1.56 0.00 0.00 55.97 55.41 1xqg s LYS 268 Cb -0.04 -4.34 -0.04 0.00 -1.46 0.00 0.00 37.83 31.94 1xqg s LYS 268 CO -0.05 -2.46 0.11 0.08 0.16 0.00 0.00 175.35 173.18 1xqg s VAL 269 N 8.64 5.22 -1.08 4.02 1.01 0.27 -2.53 120.40 135.95 1xqg s VAL 269 Ca 0.76 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 1xqg s VAL 269 Cb -0.17 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.04 1xqg s VAL 269 CO 0.26 0.55 1.31 -0.54 0.00 0.00 0.00 175.10 176.68 1xqg s LYS 270 N -0.45 3.85 -0.02 2.72 1.02 -0.75 -1.72 119.74 124.37 1xqg s LYS 270 Ca 0.11 -2.13 -0.30 0.00 0.02 0.00 0.00 55.97 53.68 1xqg s LYS 270 Cb -0.12 -5.03 -0.03 0.00 -0.52 0.00 0.00 37.83 32.13 1xqg s LYS 270 CO 0.02 -1.81 1.03 -1.17 -0.92 0.00 0.00 175.35 172.50 1xqg s LEU 271 N 2.34 4.33 -0.31 3.17 2.96 0.19 -2.91 118.68 128.45 1xqg s LEU 271 Ca 0.39 1.68 -0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1xqg s LEU 271 Cb -0.03 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.22 1xqg s LEU 271 CO -0.04 -0.36 0.27 -0.94 -1.32 0.00 0.00 176.35 173.96 1xqg s SER 272 N 1.08 2.01 0.02 3.68 1.04 -0.91 -0.05 113.70 120.57 1xqg s SER 272 Ca 0.52 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1xqg s SER 272 Cb -0.22 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1xqg s SER 272 CO 0.25 -0.37 -0.13 0.27 0.98 0.00 0.00 173.24 174.24 1xqg s ILE 273 N 2.02 3.16 0.34 -1.02 -4.36 -0.89 -0.61 121.20 119.84 1xqg s ILE 273 Ca 0.12 -0.98 -0.29 0.00 -0.26 0.00 0.00 60.65 59.24 1xqg s ILE 273 Cb -0.15 -2.34 -0.10 0.00 1.25 0.00 0.00 42.46 41.11 1xqg s ILE 273 CO -0.25 0.38 1.33 -2.16 0.24 0.00 0.00 174.94 174.48 1xqg s PRO 274 N -1.36 4.31 -0.02 0.37 0.04 -1.26 -1.37 135.00 135.71 1xqg s PRO 274 Ca 0.15 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1xqg s PRO 274 Cb -0.11 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1xqg s PRO 274 CO 0.06 -0.24 1.07 0.21 0.04 0.00 0.00 177.00 178.14 1xqg s LYS 275 N -1.85 4.46 0.17 4.56 2.20 0.86 -4.83 119.74 125.32 1xqg s LYS 275 Ca 0.50 1.53 -0.12 0.00 -0.36 0.00 0.00 55.97 57.51 1xqg s LYS 275 Cb -0.41 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 1xqg s LYS 275 CO 0.54 -0.23 0.38 -0.59 -0.36 0.00 0.00 175.35 175.09 1xqg s PHE 276 N 1.47 0.17 -0.25 4.03 -0.71 -1.04 -4.58 117.98 117.08 1xqg s PHE 276 Ca 0.53 -0.53 -0.03 0.00 -1.04 0.00 0.00 56.93 55.87 1xqg s PHE 276 Cb -0.23 0.13 0.11 0.00 -1.21 0.00 0.00 43.02 41.82 1xqg s PHE 276 CO 0.25 -0.79 0.22 0.21 -1.34 0.00 0.00 175.22 173.76 1xqg s LYS 277 N -3.92 0.23 -0.16 1.99 2.20 -1.26 0.76 119.74 119.57 1xqg s LYS 277 Ca 0.13 -0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.62 1xqg s LYS 277 Cb 0.02 -1.05 -0.03 0.00 -1.51 0.00 0.00 37.83 35.25 1xqg s LYS 277 CO -0.02 -0.86 -0.01 0.08 -0.36 0.00 0.00 175.35 174.19 1xqg s VAL 278 N 2.28 4.13 -0.31 4.02 1.01 0.26 -4.97 120.40 126.82 1xqg s VAL 278 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1xqg s VAL 278 Cb -0.15 -2.82 0.10 0.00 0.00 0.00 0.00 36.38 33.50 1xqg s VAL 278 CO -0.24 0.48 0.10 -0.70 0.00 0.00 0.00 175.10 174.74 1xqg s GLU 279 N 0.36 0.72 0.11 2.72 2.12 -1.26 -0.25 118.70 123.22 1xqg s GLU 279 Ca -0.02 -1.07 0.09 0.00 0.36 0.00 0.00 54.97 54.33 1xqg s GLU 279 Cb -0.14 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 1xqg s GLU 279 CO 0.02 -0.98 -0.20 0.15 -0.54 0.00 0.00 175.26 173.71 1xqg s LYS 280 N 1.61 1.72 -0.09 4.30 -0.14 -0.57 -4.99 119.74 121.58 1xqg s LYS 280 Ca 0.10 -1.20 -0.01 0.00 -1.36 0.00 0.00 55.97 53.50 1xqg s LYS 280 Cb -0.17 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1xqg s LYS 280 CO -0.25 0.48 -0.05 1.41 -0.76 0.00 0.00 175.35 176.18 1xqg s MET 281 N -2.06 1.16 0.48 1.68 -2.45 -1.26 -1.36 119.30 115.49 1xqg s MET 281 Ca 0.17 -0.12 0.04 0.00 -1.25 0.00 0.00 55.69 54.52 1xqg s MET 281 Cb -0.10 -1.31 -0.03 0.00 1.25 0.00 0.00 34.83 34.63 1xqg s MET 281 CO 0.09 -0.26 0.08 0.96 1.05 0.00 0.00 175.02 176.94 1xqg s ILE 282 N 1.71 1.58 -0.48 10.11 -4.36 -0.43 -5.00 121.20 124.33 1xqg s ILE 282 Ca 0.03 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1xqg s ILE 282 Cb -0.13 -2.47 0.17 0.00 1.25 0.00 0.00 42.46 41.28 1xqg s ILE 282 CO -0.06 0.00 0.36 -0.62 0.24 0.00 0.00 174.94 174.86 1xqg s ASP 283 N -3.90 2.49 0.00 4.36 3.68 -1.26 -3.34 116.67 118.70 1xqg s ASP 283 Ca 0.21 -3.18 0.00 0.00 2.13 0.00 0.00 52.55 51.71 1xqg s ASP 283 Cb 0.03 -0.77 0.00 0.00 -1.45 0.00 0.00 42.92 40.74 1xqg s ASP 283 CO 0.12 -0.16 0.43 -0.81 0.13 0.00 0.00 175.17 174.87 1xqg n PRO 284 N 2.74 0.00 0.02 4.34 -0.04 -1.26 -3.73 135.00 137.07 1xqg n PRO 284 Ca 0.25 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1xqg n PRO 284 Cb 0.43 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.43 0.59 0.54 3.64 -1.94 0.28 116.57 119.25 1xqg h LYS 285 Ca 0.00 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1xqg h LYS 285 Cb 0.00 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xqg h LYS 285 CO 0.00 -0.29 -0.28 0.00 -2.27 0.00 0.00 179.45 176.61 1xqg h ALA 286 N 0.30 -0.79 -0.44 5.00 0.00 -2.00 -2.20 119.26 119.13 1xqg h ALA 286 Ca 0.08 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1xqg h ALA 286 Cb 0.57 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xqg h ALA 286 CO -0.34 -0.88 0.35 0.77 0.00 0.00 0.00 179.25 179.15 1xqg h SER 287 N -0.91 0.00 0.74 0.00 0.02 -1.78 -0.28 113.55 111.34 1xqg h SER 287 Ca -0.08 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.66 1xqg h SER 287 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1xqg h SER 287 CO 0.13 0.00 -0.95 -0.07 -1.14 0.00 0.00 176.83 174.81 1xqg h LEU 288 N 0.00 0.16 -0.29 5.07 3.38 -0.17 -2.87 115.31 120.60 1xqg h LEU 288 Ca 0.21 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1xqg h LEU 288 Cb 0.91 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1xqg h LEU 288 CO -0.00 1.01 -0.15 -0.33 0.09 0.00 0.00 178.44 179.06 1xqg h GLU 289 N 0.05 0.61 -0.42 1.13 5.08 -0.44 -1.74 114.58 118.86 1xqg h GLU 289 Ca -0.04 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1xqg h GLU 289 Cb 1.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1xqg h GLU 289 CO 0.14 0.85 0.29 -0.91 -1.00 0.00 0.00 179.01 178.38 1xqg h ASN 290 N 0.36 0.19 1.39 1.42 4.21 -1.42 -0.53 115.58 121.20 1xqg h ASN 290 Ca 0.06 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.46 1xqg h ASN 290 Cb 0.68 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 1xqg h ASN 290 CO 0.05 0.12 -0.53 -0.07 -1.29 0.00 0.00 177.43 175.71 1xqg h LEU 291 N 0.21 0.00 0.00 1.61 3.38 -1.26 -3.48 115.31 115.78 1xqg h LEU 291 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xqg h LEU 291 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xqg h LEU 291 CO -0.03 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1xqg n GLY 292 N 1.13 1.04 3.60 0.83 0.00 -0.21 -4.82 105.19 106.76 1xqg n GLY 292 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 3.49 0.00 0.99 1.43 -0.69 -4.76 118.68 119.15 1xqg s LEU 293 Ca 0.00 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1xqg s LEU 293 Cb 0.00 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 1xqg s LEU 293 CO 0.00 -1.76 -0.05 0.29 0.23 0.00 0.00 176.35 175.07 1xqg n LYS 294 N 8.49 0.07 -0.23 1.70 4.76 -1.26 -3.52 118.16 128.17 1xqg n LYS 294 Ca 0.24 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1xqg n LYS 294 Cb 0.46 -0.41 0.12 0.00 -1.84 0.00 0.00 35.03 33.36 1xqg n LYS 294 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xqg h HIS 295 N -0.13 0.57 -1.23 2.13 3.86 -1.91 -2.98 115.15 115.45 1xqg h HIS 295 Ca 0.00 0.03 0.36 0.00 -1.16 0.00 0.00 60.37 59.59 1xqg h HIS 295 Cb 0.13 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 28.36 1xqg h HIS 295 CO -0.06 0.21 0.84 0.97 0.86 0.00 0.00 177.93 180.75 1xqg h ILE 296 N 0.55 0.36 0.00 2.45 2.10 -1.89 0.16 117.51 121.24 1xqg h ILE 296 Ca 0.32 -0.05 -0.12 0.00 1.08 0.00 0.00 64.86 66.10 1xqg h ILE 296 Cb 0.34 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 36.24 1xqg h ILE 296 CO -0.26 0.03 -1.55 0.49 -1.08 0.00 0.00 178.15 175.78 1xqg n PHE 297 N -4.40 0.67 -2.21 2.19 3.72 -1.13 -0.70 117.46 115.59 1xqg n PHE 297 Ca 0.29 0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 57.48 1xqg n PHE 297 Cb 1.23 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -5.38 6.85 0.00 4.37 0.15 0.55 -4.66 113.70 115.58 1xqg s SER 298 Ca -0.04 2.21 0.27 0.00 0.70 0.00 0.00 55.95 59.10 1xqg s SER 298 Cb 0.10 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.78 1xqg s SER 298 CO 0.83 -0.67 1.70 1.21 1.20 0.00 0.00 173.24 177.51 1xqg n GLU 299 N 4.57 0.36 -0.07 5.44 2.13 -1.26 -2.09 120.64 129.72 1xqg n GLU 299 Ca 0.12 -0.15 -0.04 0.00 0.66 0.00 0.00 57.16 57.75 1xqg n GLU 299 Cb 0.43 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.50 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 -1.19 0.55 -0.00 4.31 8.00 -1.26 -4.37 116.55 122.59 1xqg n ASP 300 Ca 0.10 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.60 1xqg n ASP 300 Cb 0.32 1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 42.60 1xqg n ASP 300 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xqg n THR 301 N -2.54 0.00 -1.87 -3.53 -2.24 -1.25 -5.03 114.28 97.81 1xqg n THR 301 Ca -0.23 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 1xqg n THR 301 Cb 0.94 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 70.19 1xqg n THR 301 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xqg s SER 302 N -1.08 5.72 -0.41 3.42 1.04 -0.89 -4.85 113.70 116.65 1xqg s SER 302 Ca 0.00 2.76 0.02 0.00 0.48 0.00 0.00 55.95 59.22 1xqg s SER 302 Cb 0.01 -2.64 0.12 0.00 0.10 0.00 0.00 66.02 63.61 1xqg s SER 302 CO 0.05 -1.26 0.18 -0.62 0.98 0.00 0.00 173.24 172.57 1xqg s ASP 303 N -0.80 4.01 -0.82 7.02 2.15 -1.26 -4.98 116.67 121.99 1xqg s ASP 303 Ca 0.65 -2.41 0.01 0.00 0.43 0.00 0.00 52.55 51.23 1xqg s ASP 303 Cb -0.40 -1.19 0.34 0.00 -0.30 0.00 0.00 42.92 41.37 1xqg s ASP 303 CO 0.50 -0.31 1.58 0.49 -0.17 0.00 0.00 175.17 177.26 1xqg n PHE 304 N 3.85 3.20 0.32 -5.34 3.01 -1.26 -0.47 117.46 120.77 1xqg n PHE 304 Ca 0.05 -2.93 -0.14 0.00 1.01 0.00 0.00 57.45 55.45 1xqg n PHE 304 Cb 0.37 -0.91 -0.07 0.00 -0.01 0.00 0.00 39.48 38.86 1xqg n PHE 304 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xqg h SER 305 N 3.51 -0.85 0.00 4.37 0.02 -1.72 -2.94 113.55 115.93 1xqg h SER 305 Ca 0.42 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1xqg h SER 305 Cb 0.37 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1xqg h SER 305 CO 1.11 -0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 1xqg n GLY 306 N -1.44 0.08 1.32 -3.77 0.00 -0.99 -2.54 105.19 97.84 1xqg n GLY 306 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xqg n GLY 306 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xqg n MET 307 N 0.61 0.00 -3.76 1.61 0.00 -1.14 -4.41 117.12 110.03 1xqg n MET 307 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1xqg n MET 307 Cb 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 33.22 32.89 1xqg n MET 307 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1xqg s SER 308 N -4.81 -0.24 0.00 6.12 1.04 -1.05 -0.48 113.70 114.28 1xqg s SER 308 Ca 0.00 -0.52 0.15 0.00 0.48 0.00 0.00 55.95 56.05 1xqg s SER 308 Cb 0.00 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.83 1xqg s SER 308 CO 0.00 -1.06 0.98 -0.62 0.98 0.00 0.00 173.24 173.53 1xqg n GLU 309 N -0.34 1.12 -1.47 4.02 4.71 -1.26 -4.27 120.64 123.15 1xqg n GLU 309 Ca -0.09 -1.42 -0.33 0.00 -0.01 0.00 0.00 57.16 55.31 1xqg n GLU 309 Cb 0.62 -1.28 0.08 0.00 -1.01 0.00 0.00 31.44 29.85 1xqg n GLU 309 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1xqg s THR 310 N -1.20 2.69 0.42 2.62 2.01 -1.26 -5.05 115.64 115.86 1xqg s THR 310 Ca 0.18 0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.56 1xqg s THR 310 Cb 0.12 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1xqg s THR 310 CO 0.18 -0.21 0.16 -0.75 -0.69 0.00 0.00 174.62 173.32 1xqg s LYS 311 N -4.11 2.19 -1.17 4.92 2.47 -1.26 -4.57 119.74 118.21 1xqg s LYS 311 Ca 0.70 -1.89 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 1xqg s LYS 311 Cb -0.25 -1.93 0.00 0.00 -1.46 0.00 0.00 37.83 34.19 1xqg s LYS 311 CO 0.46 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.25 1xqg n GLY 312 N -1.22 0.57 3.63 5.54 0.00 -1.26 -4.99 105.19 107.46 1xqg n GLY 312 Ca -0.02 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.54 4.24 -0.20 1.61 0.11 -1.26 -4.92 120.40 117.44 1xqg s VAL 313 Ca 0.00 -0.26 -0.34 0.00 -2.93 0.00 0.00 61.98 58.45 1xqg s VAL 313 Cb 0.00 -2.82 0.15 0.00 -1.53 0.00 0.00 36.38 32.18 1xqg s VAL 313 CO 0.00 0.56 1.22 0.00 -3.33 0.00 0.00 175.10 173.55 1xqg s ALA 314 N -0.43 -2.07 -0.25 1.54 0.00 -1.26 -4.77 121.76 114.52 1xqg s ALA 314 Ca 0.08 1.65 -0.32 0.00 0.00 0.00 0.00 51.96 53.37 1xqg s ALA 314 Cb -0.12 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 1xqg s ALA 314 CO 0.02 -0.52 2.17 -0.11 0.00 0.00 0.00 175.76 177.32 1xqg n LEU 315 N 0.07 2.86 -0.01 0.00 7.94 0.12 -3.70 117.00 124.28 1xqg n LEU 315 Ca -0.00 0.38 -0.00 0.00 -1.11 0.00 0.00 56.01 55.28 1xqg n LEU 315 Cb 0.58 -1.42 -0.00 0.00 0.53 0.00 0.00 43.42 43.11 1xqg n LEU 315 CO 0.09 -0.62 0.01 0.28 -1.11 0.00 0.00 177.39 176.05 1xqg h SER 316 N 13.30 -0.01 -2.73 1.96 0.02 -1.57 -3.39 113.55 121.14 1xqg h SER 316 Ca -0.37 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.07 1xqg h SER 316 Cb 1.28 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.68 1xqg h SER 316 CO 0.98 0.15 -0.69 0.20 -1.14 0.00 0.00 176.83 176.34 1xqg s ASN 317 N -3.81 2.97 -0.25 3.07 -0.87 -1.21 -5.06 114.94 109.78 1xqg s ASN 317 Ca -0.00 -1.17 -0.04 0.00 -1.57 0.00 0.00 52.86 50.08 1xqg s ASN 317 Cb 0.00 -0.21 0.08 0.00 -0.02 0.00 0.00 41.25 41.11 1xqg s ASN 317 CO 0.00 -0.28 0.11 -0.69 -2.57 0.00 0.00 177.10 173.68 1xqg s VAL 318 N -2.90 0.02 -0.23 1.60 1.01 -1.26 -1.98 120.40 116.66 1xqg s VAL 318 Ca 0.29 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1xqg s VAL 318 Cb 0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1xqg s VAL 318 CO 0.12 -0.55 0.20 -0.63 0.00 0.00 0.00 175.10 174.25 1xqg s ILE 319 N 2.07 5.33 -0.31 2.22 1.01 0.36 -4.52 121.20 127.36 1xqg s ILE 319 Ca 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1xqg s ILE 319 Cb -0.16 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1xqg s ILE 319 CO -0.25 0.33 0.10 -2.28 0.00 0.00 0.00 174.94 172.84 1xqg s HIS 320 N 1.09 1.61 -0.09 3.97 2.46 -1.21 -0.10 115.29 123.01 1xqg s HIS 320 Ca 0.10 -1.68 0.00 0.00 0.47 0.00 0.00 55.06 53.95 1xqg s HIS 320 Cb -0.14 -1.66 -0.03 0.00 -0.13 0.00 0.00 32.58 30.63 1xqg s HIS 320 CO 0.05 -0.87 -0.09 0.15 -2.47 0.00 0.00 174.74 171.51 1xqg s LYS 321 N 1.64 3.01 -0.04 2.88 1.02 0.53 -1.32 119.74 127.46 1xqg s LYS 321 Ca 0.10 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.47 1xqg s LYS 321 Cb -0.17 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1xqg s LYS 321 CO -0.26 0.49 0.09 0.08 -0.92 0.00 0.00 175.35 174.83 1xqg s VAL 322 N -0.34 -0.04 -0.16 3.17 1.01 -0.46 -1.87 120.40 121.71 1xqg s VAL 322 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1xqg s VAL 322 Cb -0.13 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.13 1xqg s VAL 322 CO 0.02 0.06 -0.07 -0.55 0.00 0.00 0.00 175.10 174.56 1xqg s SER 323 N 0.80 2.75 -0.16 3.32 0.15 -0.69 -1.51 113.70 118.36 1xqg s SER 323 Ca -0.06 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1xqg s SER 323 Cb -0.09 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1xqg s SER 323 CO -0.03 -0.16 -0.20 -0.22 1.20 0.00 0.00 173.24 173.82 1xqg s LEU 324 N 1.62 2.10 -0.06 3.45 2.96 0.65 -1.28 118.68 128.12 1xqg s LEU 324 Ca 0.02 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 1xqg s LEU 324 Cb -0.15 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1xqg s LEU 324 CO -0.08 0.02 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.07 1xqg s GLU 325 N 1.14 2.60 -0.13 1.98 2.12 -0.83 -0.57 118.70 125.00 1xqg s GLU 325 Ca 0.01 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.54 1xqg s GLU 325 Cb -0.14 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 31.98 1xqg s GLU 325 CO -0.09 0.46 -0.17 0.42 -0.54 0.00 0.00 175.26 175.33 1xqg s ILE 326 N -0.33 1.73 0.00 -3.70 -1.09 0.23 -1.67 121.20 116.36 1xqg s ILE 326 Ca 0.02 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1xqg s ILE 326 Cb -0.13 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1xqg s ILE 326 CO 0.02 0.49 0.00 0.35 -1.23 0.00 0.00 174.94 174.57 1xqg n THR 327 N 4.34 0.00 1.06 2.92 -2.24 -1.26 -2.50 114.28 116.60 1xqg n THR 327 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1xqg n THR 327 Cb 0.51 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.36 -1.69 -0.78 4.71 -1.26 -4.84 120.64 117.14 1xqg n GLU 328 Ca 0.00 -0.25 -0.45 0.00 -0.01 0.00 0.00 57.16 56.46 1xqg n GLU 328 Cb 0.00 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 28.90 1xqg n GLU 328 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1xqg n ASP 329 N -1.10 3.50 -3.65 1.62 2.03 -1.26 -1.11 116.55 116.58 1xqg n ASP 329 Ca 0.07 1.05 0.01 0.00 0.52 0.00 0.00 54.79 56.44 1xqg n ASP 329 Cb 0.35 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1xqg n ASP 329 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xqg s GLY 330 N 1.56 -0.26 0.00 0.27 0.00 -1.26 -1.00 107.32 106.64 1xqg s GLY 330 Ca 0.80 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1xqg s GLY 330 CO 0.38 1.75 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1xqg n GLY 331 N -0.62 -0.52 3.92 0.20 0.00 -0.02 -4.36 105.19 103.79 1xqg n GLY 331 Ca -0.05 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 1xqg n GLY 331 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xqg s ASP 332 N -1.00 5.71 -0.22 1.61 1.11 -1.25 -1.39 116.67 121.25 1xqg s ASP 332 Ca 0.00 -0.27 -0.19 0.00 0.18 0.00 0.00 52.55 52.27 1xqg s ASP 332 Cb 0.00 -1.24 0.06 0.00 1.07 0.00 0.00 42.92 42.81 1xqg s ASP 332 CO 0.00 -0.31 0.57 -0.55 1.18 0.00 0.00 175.17 176.06 1xqg s SER 333 N -4.04 -0.62 0.43 0.27 0.15 -1.26 -4.77 113.70 103.86 1xqg s SER 333 Ca 0.41 1.16 -0.23 0.00 0.70 0.00 0.00 55.95 57.98 1xqg s SER 333 Cb -0.08 1.15 -0.08 0.00 -1.71 0.00 0.00 66.02 65.31 1xqg s SER 333 CO 0.28 -0.20 1.11 -0.63 1.20 0.00 0.00 173.24 175.01 1xqg s ILE 334 N 0.49 3.39 -0.10 6.45 1.01 -1.26 -5.05 121.20 126.13 1xqg s ILE 334 Ca -0.02 1.05 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1xqg s ILE 334 Cb -0.04 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1xqg s ILE 334 CO -0.02 -0.01 -0.17 -1.61 0.00 0.00 0.00 174.94 173.14 1xqg s GLU 335 N -2.61 2.32 0.34 2.79 0.41 -1.26 -5.01 118.70 115.69 1xqg s GLU 335 Ca 0.61 -0.61 -0.25 0.00 -0.41 0.00 0.00 54.97 54.30 1xqg s GLU 335 Cb -0.26 -1.88 -0.14 0.00 -1.78 0.00 0.00 34.13 30.08 1xqg s GLU 335 CO 0.31 0.03 0.72 1.33 -0.49 0.00 0.00 175.26 177.16 1xqg n VAL 336 N 3.91 1.92 -0.01 2.63 0.24 -1.26 -4.84 118.33 120.92 1xqg n VAL 336 Ca -0.20 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1xqg n VAL 336 Cb 0.52 -0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1xqg n VAL 336 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1xqg n PRO 337 N 0.67 -0.01 -3.10 7.34 -0.02 -1.26 -3.83 135.00 134.80 1xqg n PRO 337 Ca 0.12 0.27 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1xqg n PRO 337 Cb 0.35 -0.41 -0.05 0.00 -0.02 0.00 0.00 33.50 33.37 1xqg n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xqg n GLY 338 N -1.00 1.08 1.05 -1.23 0.00 -1.26 -4.99 105.19 98.83 1xqg n GLY 338 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xqg n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqg n ALA 339 N 2.64 2.06 -0.08 4.61 0.00 -1.25 -3.79 120.51 124.71 1xqg n ALA 339 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 1xqg n ALA 339 Cb 0.52 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1xqg n ALA 339 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xqg h ARG 340 N 1.07 0.00 0.00 0.00 -0.00 -1.95 -3.33 114.38 110.18 1xqg h ARG 340 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.94 1xqg h ARG 340 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.47 1xqg h ARG 340 CO 0.00 0.76 -1.99 1.51 -0.00 0.00 0.00 179.97 180.25 1xqg n ILE 341 N -4.58 0.13 -1.04 0.08 3.06 -1.25 -4.32 119.36 111.45 1xqg n ILE 341 Ca -0.15 -0.51 -0.05 0.00 -2.50 0.00 0.00 62.75 59.54 1xqg n ILE 341 Cb 0.45 -0.03 0.32 0.00 0.54 0.00 0.00 39.64 40.92 1xqg n ILE 341 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1xqg n LEU 342 N -2.27 6.13 -3.62 9.51 4.77 -1.26 -4.90 117.00 125.36 1xqg n LEU 342 Ca -0.07 -3.20 -0.10 0.00 -0.03 0.00 0.00 56.01 52.62 1xqg n LEU 342 Cb 0.60 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1xqg n LEU 342 CO 0.43 0.80 0.76 -1.58 -1.33 0.00 0.00 177.39 176.46 1xqg s GLN 343 N -2.98 0.53 0.32 3.23 0.74 -1.25 -4.92 119.66 115.33 1xqg s GLN 343 Ca 0.56 0.45 -0.29 0.00 0.05 0.00 0.00 55.36 56.13 1xqg s GLN 343 Cb 0.44 0.25 -0.10 0.00 1.10 0.00 0.00 33.01 34.71 1xqg s GLN 343 CO 0.14 -0.10 1.24 -1.58 -0.55 0.00 0.00 175.29 174.43 1xqg s HIS 344 N -0.20 3.20 -0.93 1.67 5.65 -1.26 -4.54 115.29 118.88 1xqg s HIS 344 Ca 0.02 1.51 -0.00 0.00 0.25 0.00 0.00 55.06 56.83 1xqg s HIS 344 Cb -0.04 -3.54 0.31 0.00 -1.18 0.00 0.00 32.58 28.14 1xqg s HIS 344 CO -0.04 -1.44 1.50 1.17 -0.65 0.00 0.00 174.74 175.28 1xqg n LYS 345 N 0.83 4.58 -1.28 2.88 4.81 -1.26 -1.07 118.16 127.64 1xqg n LYS 345 Ca 0.00 -4.67 -0.29 0.00 -0.87 0.00 0.00 58.31 52.48 1xqg n LYS 345 Cb 0.43 -2.42 0.18 0.00 0.02 0.00 0.00 35.03 33.24 1xqg n LYS 345 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xqg s ASP 346 N -1.92 2.49 -0.05 3.14 -1.08 -1.05 -4.85 116.67 113.34 1xqg s ASP 346 Ca 0.39 0.97 -0.02 0.00 -0.52 0.00 0.00 52.55 53.36 1xqg s ASP 346 Cb 0.16 -1.50 0.04 0.00 -1.46 0.00 0.00 42.92 40.16 1xqg s ASP 346 CO -0.06 -3.19 0.12 -1.83 0.52 0.00 0.00 175.17 170.73 1xqg s GLU 347 N -5.17 0.06 -0.43 4.34 4.04 -1.26 -1.81 118.70 118.46 1xqg s GLU 347 Ca 0.66 0.33 0.02 0.00 0.04 0.00 0.00 54.97 56.03 1xqg s GLU 347 Cb -0.15 -0.20 0.12 0.00 0.02 0.00 0.00 34.13 33.91 1xqg s GLU 347 CO 0.56 -0.17 0.18 -1.17 -1.84 0.00 0.00 175.26 172.81 1xqg s LEU 348 N 1.19 4.76 -0.74 1.83 2.96 -1.15 -4.89 118.68 122.64 1xqg s LEU 348 Ca -0.09 -2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 51.21 1xqg s LEU 348 Cb -0.12 -1.69 0.19 0.00 0.50 0.00 0.00 46.19 45.08 1xqg s LEU 348 CO -0.05 -0.36 0.68 0.21 -1.32 0.00 0.00 176.35 175.51 1xqg s ASN 349 N 0.66 6.55 -1.39 3.68 3.04 -1.26 -2.15 114.94 124.07 1xqg s ASN 349 Ca 0.13 -2.44 -0.15 0.00 0.04 0.00 0.00 52.86 50.45 1xqg s ASN 349 Cb -0.22 -2.20 0.06 0.00 -1.54 0.00 0.00 41.25 37.36 1xqg s ASN 349 CO -0.05 -0.65 2.04 0.00 -3.04 0.00 0.00 177.10 175.41 1xqg n ALA 350 N 4.32 4.95 -1.14 1.71 0.00 0.22 -4.58 120.51 125.99 1xqg n ALA 350 Ca 0.06 -3.92 0.03 0.00 0.00 0.00 0.00 53.44 49.60 1xqg n ALA 350 Cb 0.45 -3.49 0.24 0.00 0.00 0.00 0.00 19.45 16.64 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 6.50 3.50 -3.72 0.00 5.75 -1.26 -4.01 116.55 123.31 1xqg n ASP 351 Ca 0.50 -3.28 -0.12 0.00 -0.01 0.00 0.00 54.79 51.88 1xqg n ASP 351 Cb 0.41 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 39.84 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 -2.98 -0.15 0.10 2.11 -3.43 -1.26 -0.92 115.29 108.76 1xqg s HIS 352 Ca 0.44 -0.00 -0.17 0.00 -0.80 0.00 0.00 55.06 54.53 1xqg s HIS 352 Cb 0.37 0.14 -0.10 0.00 -1.43 0.00 0.00 32.58 31.56 1xqg s HIS 352 CO 0.06 -0.55 0.34 -2.30 -2.00 0.00 0.00 174.74 170.29 1xqg n PRO 353 N 0.41 0.00 -3.68 -0.38 -0.02 -1.24 -4.96 135.00 125.13 1xqg n PRO 353 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.16 1xqg n PRO 353 Cb 0.60 -0.61 -0.07 0.00 -0.02 0.00 0.00 33.50 33.40 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 -0.49 -0.29 0.07 6.00 -0.12 -1.17 -4.60 117.98 117.39 1xqg s PHE 354 Ca 0.39 0.39 0.00 0.00 -0.05 0.00 0.00 56.93 57.66 1xqg s PHE 354 Cb -0.56 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 1xqg s PHE 354 CO 0.32 -0.50 0.22 0.42 -0.05 0.00 0.00 175.22 175.63 1xqg s ILE 355 N -1.79 5.37 0.06 -4.49 1.01 -1.07 -0.94 121.20 119.37 1xqg s ILE 355 Ca -0.10 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1xqg s ILE 355 Cb -0.02 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.83 1xqg s ILE 355 CO 0.02 0.11 0.38 -0.72 0.00 0.00 0.00 174.94 174.73 1xqg s TYR 356 N -1.54 -0.21 0.00 3.97 -0.85 -0.42 -0.65 117.35 117.65 1xqg s TYR 356 Ca 0.35 0.08 0.01 0.00 -0.52 0.00 0.00 57.07 56.98 1xqg s TYR 356 Cb -0.13 0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.41 1xqg s TYR 356 CO 0.28 -0.59 -0.02 0.96 -1.52 0.00 0.00 175.55 174.66 1xqg s ILE 357 N -2.85 0.15 -0.39 -3.49 -4.36 -0.85 -1.43 121.20 107.98 1xqg s ILE 357 Ca -0.03 -0.14 -0.08 0.00 -0.26 0.00 0.00 60.65 60.14 1xqg s ILE 357 Cb 0.00 -0.15 0.06 0.00 1.25 0.00 0.00 42.46 43.63 1xqg s ILE 357 CO -0.05 0.01 0.20 -0.63 0.24 0.00 0.00 174.94 174.71 1xqg s ILE 358 N -0.14 4.06 0.15 8.37 1.01 0.66 -1.14 121.20 134.17 1xqg s ILE 358 Ca -0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 1xqg s ILE 358 Cb -0.01 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 1xqg s ILE 358 CO -0.00 -0.39 0.41 -0.60 0.00 0.00 0.00 174.94 174.35 1xqg s ARG 359 N 1.41 3.66 -1.08 2.79 3.52 -0.30 -0.62 118.95 128.33 1xqg s ARG 359 Ca 0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 55.73 55.50 1xqg s ARG 359 Cb -0.22 -2.83 0.22 0.00 -1.56 0.00 0.00 34.95 30.57 1xqg s ARG 359 CO 0.02 0.45 1.16 -1.58 -0.81 0.00 0.00 175.30 174.54 1xqg s HIS 360 N -1.66 3.86 0.21 5.12 5.65 0.30 -1.70 115.29 127.07 1xqg s HIS 360 Ca 0.41 -2.30 0.06 0.00 0.25 0.00 0.00 55.06 53.48 1xqg s HIS 360 Cb -0.12 -4.02 0.61 0.00 -1.18 0.00 0.00 32.58 27.87 1xqg s HIS 360 CO 0.23 -1.14 0.97 0.09 -0.65 0.00 0.00 174.74 174.24 1xqg n ASN 361 N 4.14 0.04 -0.32 9.88 3.02 -1.10 0.17 115.26 131.09 1xqg n ASN 361 Ca 0.26 1.04 -0.00 0.00 -0.03 0.00 0.00 54.58 55.85 1xqg n ASN 361 Cb 0.42 -0.43 0.13 0.00 -0.61 0.00 0.00 39.78 39.29 1xqg n ASN 361 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xqg h LYS 362 N 0.00 1.04 -0.03 3.52 3.64 -1.89 -3.08 116.57 119.77 1xqg h LYS 362 Ca 0.43 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1xqg h LYS 362 Cb 1.00 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1xqg h LYS 362 CO -0.54 0.69 0.00 0.25 -2.27 0.00 0.00 179.45 177.58 1xqg n THR 363 N -4.55 0.08 -0.83 1.00 -2.24 0.12 -4.98 114.28 102.88 1xqg n THR 363 Ca 0.12 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1xqg n THR 363 Cb 0.12 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1xqg n THR 363 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xqg n ARG 364 N 0.44 -0.75 -2.20 -0.78 5.12 0.13 -4.87 116.66 113.75 1xqg n ARG 364 Ca 0.05 0.19 -0.34 0.00 -1.93 0.00 0.00 57.85 55.82 1xqg n ARG 364 Cb 0.22 -4.20 0.00 0.00 -1.16 0.00 0.00 32.46 27.32 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 -2.13 5.73 -0.31 0.55 0.01 -1.21 -4.62 114.94 112.95 1xqg s ASN 365 Ca 0.00 2.06 -0.17 0.00 -0.71 0.00 0.00 52.86 54.04 1xqg s ASN 365 Cb 0.00 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1xqg s ASN 365 CO 0.00 -1.21 0.45 -0.63 -1.51 0.00 0.00 177.10 174.21 1xqg s ILE 366 N -1.98 5.09 -0.20 0.60 1.01 -1.26 0.11 121.20 124.57 1xqg s ILE 366 Ca 0.70 0.48 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 1xqg s ILE 366 Cb -0.21 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 1xqg s ILE 366 CO 0.29 -0.03 0.10 -0.38 0.00 0.00 0.00 174.94 174.92 1xqg n ILE 367 N 5.26 1.51 -4.57 2.92 2.08 0.21 -3.32 119.36 123.45 1xqg n ILE 367 Ca -0.06 0.02 -0.29 0.00 0.56 0.00 0.00 62.75 62.97 1xqg n ILE 367 Cb 0.50 -2.12 -0.13 0.00 -0.75 0.00 0.00 39.64 37.13 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 -2.34 2.34 -0.13 1.39 0.08 -1.07 -3.85 117.98 114.40 1xqg s PHE 368 Ca -0.26 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.34 1xqg s PHE 368 Cb 0.05 -1.31 0.05 0.00 -0.57 0.00 0.00 43.02 41.24 1xqg s PHE 368 CO 0.50 0.27 0.30 0.12 -0.10 0.00 0.00 175.22 176.31 1xqg s PHE 369 N -0.97 -0.41 0.19 0.36 2.19 -0.45 -0.25 117.98 118.64 1xqg s PHE 369 Ca 0.14 0.94 -0.15 0.00 0.33 0.00 0.00 56.93 58.18 1xqg s PHE 369 Cb -0.10 0.12 0.05 0.00 -1.31 0.00 0.00 43.02 41.79 1xqg s PHE 369 CO 0.05 -0.25 0.74 0.41 1.83 0.00 0.00 175.22 178.00 1xqg n GLY 370 N 4.02 0.89 3.00 13.12 0.00 -0.52 -1.56 105.19 124.15 1xqg n GLY 370 Ca -0.23 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 1xqg n GLY 370 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqg s LYS 371 N -2.05 0.60 -0.66 1.61 2.20 -0.61 -1.30 119.74 119.54 1xqg s LYS 371 Ca 0.16 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1xqg s LYS 371 Cb -0.03 -0.57 0.16 0.00 -1.51 0.00 0.00 37.83 35.88 1xqg s LYS 371 CO 0.06 0.16 0.45 0.12 -0.36 0.00 0.00 175.35 175.78 1xqg s PHE 372 N -0.22 3.45 -0.35 4.03 5.36 -0.12 -2.05 117.98 128.08 1xqg s PHE 372 Ca 0.02 -3.08 0.24 0.00 -0.96 0.00 0.00 56.93 53.15 1xqg s PHE 372 Cb -0.03 -2.96 0.46 0.00 -0.34 0.00 0.00 43.02 40.15 1xqg s PHE 372 CO -0.00 -0.71 1.65 0.77 -1.46 0.00 0.00 175.22 175.46 1xqg h SER 373 N 6.26 0.00 0.00 6.13 0.02 -1.84 -3.09 113.55 121.03 1xqg h SER 373 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xqg h SER 373 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1xqg h SER 373 CO 0.73 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.91 1xqg n SER 374 N -3.11 0.00 0.00 3.07 3.41 -1.26 -4.61 113.62 111.12 1xqg n SER 374 Ca 0.03 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.80 1xqg n SER 374 Cb 0.51 0.00 0.95 0.00 -0.26 0.00 0.00 64.21 65.41 1xqg n SER 374 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23