#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auw h ASP 18 N 0.00 0.18 -0.32 3.42 3.58 -2.06 -2.53 116.42 118.69 1auw h ASP 18 Ca 0.00 -0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.50 1auw h ASP 18 Cb 0.00 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1auw h ASP 18 CO 0.00 0.17 0.26 -0.65 -2.88 0.00 0.00 179.24 176.14 1auw h PRO 19 N 0.18 0.00 -0.24 0.28 0.11 -2.05 0.11 132.00 130.38 1auw h PRO 19 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1auw h PRO 19 Cb 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1auw h PRO 19 CO -0.01 0.00 -0.04 0.82 -0.21 0.00 0.00 178.00 178.56 1auw h ILE 20 N 0.00 1.28 -0.57 4.15 1.08 -1.90 -1.50 117.51 120.05 1auw h ILE 20 Ca 0.15 -1.01 -0.11 0.00 -0.39 0.00 0.00 64.86 63.51 1auw h ILE 20 Cb 0.67 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1auw h ILE 20 CO -0.00 0.31 -0.06 -0.03 -0.69 0.00 0.00 178.15 177.68 1auw h MET 21 N 0.19 1.04 -0.90 2.37 4.05 -0.68 -1.86 114.93 119.14 1auw h MET 21 Ca 0.06 -0.36 0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1auw h MET 21 Cb 0.48 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.15 1auw h MET 21 CO 0.02 1.05 0.59 1.49 0.23 0.00 0.00 176.91 180.29 1auw h GLU 22 N 0.93 1.12 -0.18 0.39 4.81 -0.82 -0.88 114.58 119.96 1auw h GLU 22 Ca 0.15 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1auw h GLU 22 Cb 0.62 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1auw h GLU 22 CO 0.04 0.74 -0.36 1.57 -0.73 0.00 0.00 179.01 180.27 1auw h LYS 23 N 1.15 0.38 0.00 1.92 2.10 -1.00 -2.35 116.57 118.78 1auw h LYS 23 Ca 0.35 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1auw h LYS 23 Cb -0.03 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1auw h LYS 23 CO -0.11 0.70 -0.04 -0.07 -2.00 0.00 0.00 179.45 177.93 1auw h LEU 24 N 0.32 0.00 0.00 7.07 3.38 -0.33 -2.33 115.31 123.42 1auw h LEU 24 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1auw h LEU 24 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1auw h LEU 24 CO 0.06 0.04 -0.93 0.59 0.09 0.00 0.00 178.44 178.30 1auw n ASN 25 N -3.85 0.66 -4.27 -0.43 3.02 -0.90 -4.78 115.26 104.71 1auw n ASN 25 Ca -0.03 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.22 1auw n ASN 25 Cb 0.13 0.56 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 1auw n ASN 25 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1auw n SER 26 N -2.16 2.63 0.00 6.41 7.64 -0.88 -4.70 113.62 122.57 1auw n SER 26 Ca 0.02 -2.66 0.10 0.00 1.01 0.00 0.00 58.87 57.34 1auw n SER 26 Cb 0.46 -1.50 0.44 0.00 -1.01 0.00 0.00 64.21 62.60 1auw n SER 26 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1auw n SER 27 N 12.86 0.02 -0.05 6.43 3.41 -0.55 -3.56 113.62 132.18 1auw n SER 27 Ca 0.46 0.50 0.25 0.00 -0.26 0.00 0.00 58.87 59.82 1auw n SER 27 Cb 0.45 -0.51 0.70 0.00 -0.26 0.00 0.00 64.21 64.59 1auw n SER 27 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1auw h ILE 28 N 0.00 0.35 -0.23 -1.33 6.09 -1.52 -0.28 117.51 120.59 1auw h ILE 28 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1auw h ILE 28 Cb 0.36 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 1auw h ILE 28 CO 0.00 0.00 0.09 0.00 -3.07 0.00 0.00 178.15 175.17 1auw h ALA 29 N 1.35 1.73 0.00 0.18 0.00 -1.87 -3.35 119.26 117.30 1auw h ALA 29 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1auw h ALA 29 Cb 1.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1auw h ALA 29 CO -0.00 0.22 -0.94 2.48 0.00 0.00 0.00 179.25 181.01 1auw n TYR 30 N -4.44 0.00 1.14 0.00 4.11 -0.27 -4.78 117.16 112.92 1auw n TYR 30 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.96 1auw n TYR 30 Cb 0.12 0.00 0.36 0.00 -0.00 0.00 0.00 39.34 39.82 1auw n TYR 30 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1auw n ASP 31 N -2.04 0.00 0.09 9.48 5.75 -0.32 -3.86 116.55 125.65 1auw n ASP 31 Ca 0.00 -0.76 0.18 0.00 -0.01 0.00 0.00 54.79 54.19 1auw n ASP 31 Cb 0.47 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.27 1auw n ASP 31 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1auw h GLN 32 N 0.00 0.00 0.00 0.11 4.20 -1.82 0.74 115.11 118.34 1auw h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1auw h GLN 32 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1auw h GLN 32 CO 0.00 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.05 1auw n ARG 33 N -4.23 0.12 -0.30 1.46 1.85 -1.25 -1.66 116.66 112.65 1auw n ARG 33 Ca 0.06 0.21 0.07 0.00 -1.00 0.00 0.00 57.85 57.19 1auw n ARG 33 Cb 0.47 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.60 1auw n ARG 33 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1auw n LEU 34 N -1.35 2.76 0.35 2.89 4.32 0.25 -4.48 117.00 121.75 1auw n LEU 34 Ca 0.05 -1.39 -0.18 0.00 -0.02 0.00 0.00 56.01 54.47 1auw n LEU 34 Cb 0.10 -0.37 -0.09 0.00 -1.62 0.00 0.00 43.42 41.44 1auw n LEU 34 CO 0.09 0.59 0.65 0.77 -1.22 0.00 0.00 177.39 178.27 1auw h SER 35 N 2.64 -0.77 -0.54 -1.43 4.64 -1.50 -1.44 113.55 115.15 1auw h SER 35 Ca 0.00 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1auw h SER 35 Cb 0.78 0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 1auw h SER 35 CO 0.06 -0.53 0.34 -0.08 -0.87 0.00 0.00 176.83 175.75 1auw h GLU 36 N -0.88 0.66 -0.08 4.77 4.57 -1.85 -0.87 114.58 120.91 1auw h GLU 36 Ca -0.08 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 1auw h GLU 36 Cb 0.68 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1auw h GLU 36 CO 0.13 0.44 -0.28 -0.39 -1.18 0.00 0.00 179.01 177.73 1auw h VAL 37 N 0.68 1.23 -0.12 0.32 -1.51 -1.84 0.91 116.25 115.92 1auw h VAL 37 Ca 0.21 -1.10 -0.03 0.00 -1.23 0.00 0.00 66.70 64.55 1auw h VAL 37 Cb -0.03 1.49 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1auw h VAL 37 CO -0.07 0.33 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.78 1auw h ASP 38 N 0.12 0.24 -0.55 4.19 3.58 -0.68 -0.76 116.42 122.57 1auw h ASP 38 Ca 0.02 -0.38 0.07 0.00 0.42 0.00 0.00 57.03 57.15 1auw h ASP 38 Cb 0.57 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.49 1auw h ASP 38 CO 0.04 0.56 0.24 0.40 -2.88 0.00 0.00 179.24 177.61 1auw h ILE 39 N -0.09 0.87 -0.42 2.25 1.08 -0.68 -1.04 117.51 119.48 1auw h ILE 39 Ca 0.03 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1auw h ILE 39 Cb 0.47 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1auw h ILE 39 CO 0.01 0.08 0.26 1.56 -0.69 0.00 0.00 178.15 179.38 1auw h GLN 40 N 0.46 0.52 -0.70 2.37 4.20 -0.61 -1.51 115.11 119.83 1auw h GLN 40 Ca 0.26 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1auw h GLN 40 Cb 0.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1auw h GLN 40 CO -0.22 0.34 0.21 0.78 -0.67 0.00 0.00 178.83 179.27 1auw h GLY 41 N 0.53 1.18 0.98 3.46 0.00 -0.55 -2.77 103.07 105.91 1auw h GLY 41 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1auw h GLY 41 CO -0.05 0.66 0.10 1.76 0.00 0.00 0.00 176.54 179.01 1auw h SER 42 N 1.04 0.17 -0.42 0.19 0.02 -0.75 -0.37 113.55 113.43 1auw h SER 42 Ca 0.23 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1auw h SER 42 Cb 0.32 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1auw h SER 42 CO -0.01 0.12 0.28 0.24 -1.14 0.00 0.00 176.83 176.32 1auw h MET 43 N 0.20 0.51 -0.10 3.45 2.86 -1.21 0.26 114.93 120.90 1auw h MET 43 Ca 0.06 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 1auw h MET 43 Cb -0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 1auw h MET 43 CO -0.02 0.34 -0.74 0.00 1.06 0.00 0.00 176.91 177.55 1auw h ALA 44 N 1.75 0.51 -0.26 6.32 0.00 -1.12 -2.83 119.26 123.63 1auw h ALA 44 Ca 0.16 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1auw h ALA 44 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1auw h ALA 44 CO -0.04 0.74 -0.56 -0.92 0.00 0.00 0.00 179.25 178.47 1auw h TYR 45 N 0.36 1.01 -0.50 0.00 3.20 0.31 -2.38 116.97 118.97 1auw h TYR 45 Ca -0.04 -0.36 0.02 0.00 3.14 0.00 0.00 58.73 61.49 1auw h TYR 45 Cb 1.33 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 1auw h TYR 45 CO 0.06 1.17 0.30 0.00 -1.64 0.00 0.00 178.16 178.05 1auw h ALA 46 N 0.75 0.63 -0.32 1.82 0.00 -0.55 -0.30 119.26 121.29 1auw h ALA 46 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1auw h ALA 46 Cb 1.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1auw h ALA 46 CO 0.12 0.01 0.16 0.87 0.00 0.00 0.00 179.25 180.41 1auw h LYS 47 N 0.60 0.46 -0.84 0.00 1.57 -1.47 -2.16 116.57 114.73 1auw h LYS 47 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1auw h LYS 47 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1auw h LYS 47 CO -0.08 0.42 0.53 0.00 -0.57 0.00 0.00 179.45 179.74 1auw h ALA 48 N 1.02 1.35 -0.31 3.86 0.00 -0.87 -1.93 119.26 122.38 1auw h ALA 48 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1auw h ALA 48 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1auw h ALA 48 CO -0.01 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.87 1auw h LEU 49 N 1.15 0.42 -0.71 0.00 3.38 -0.81 -0.73 115.31 118.01 1auw h LEU 49 Ca 0.31 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1auw h LEU 49 Cb -0.09 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1auw h LEU 49 CO -0.06 0.46 0.39 1.05 0.09 0.00 0.00 178.44 180.37 1auw h GLU 50 N 0.35 0.67 -0.57 1.13 -0.00 -0.91 0.15 114.58 115.41 1auw h GLU 50 Ca 0.10 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.36 59.37 1auw h GLU 50 Cb 0.17 -0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 28.74 1auw h GLU 50 CO -0.01 0.45 0.14 -0.22 -0.00 0.00 0.00 179.01 179.36 1auw h LYS 51 N 0.69 0.88 0.00 1.06 3.64 -1.03 -1.20 116.57 120.61 1auw h LYS 51 Ca 0.33 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1auw h LYS 51 Cb 0.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1auw h LYS 51 CO -0.21 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 1auw n ALA 52 N -2.46 2.33 -0.44 5.00 0.00 -0.31 -4.88 120.51 119.76 1auw n ALA 52 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1auw n ALA 52 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1auw n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auw n GLY 53 N 0.98 0.76 0.13 0.00 0.00 -0.24 -4.94 105.19 101.88 1auw n GLY 53 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1auw n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1auw h ILE 54 N 0.00 0.85 -4.15 -0.61 1.08 -0.96 -3.46 117.51 110.26 1auw h ILE 54 Ca 0.00 -2.23 -0.56 0.00 -0.39 0.00 0.00 64.86 61.68 1auw h ILE 54 Cb 0.00 2.39 -0.26 0.00 -3.07 0.00 0.00 36.82 35.89 1auw h ILE 54 CO 0.00 0.48 -0.84 -0.76 -0.69 0.00 0.00 178.15 176.35 1auw s LEU 55 N -6.39 2.17 0.36 1.44 1.43 -1.20 -4.89 118.68 111.59 1auw s LEU 55 Ca 0.03 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1auw s LEU 55 Cb 0.08 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 1auw s LEU 55 CO 0.75 0.14 0.65 0.42 0.23 0.00 0.00 176.35 178.55 1auw s THR 56 N -0.81 4.95 0.40 5.49 -4.23 -1.26 -4.35 115.64 115.83 1auw s THR 56 Ca 0.07 0.17 0.17 0.00 -1.18 0.00 0.00 61.69 60.93 1auw s THR 56 Cb -0.09 -3.77 0.38 0.00 1.34 0.00 0.00 72.50 70.36 1auw s THR 56 CO 0.02 -0.50 1.81 0.50 -0.54 0.00 0.00 174.62 175.91 1auw h LYS 57 N 1.18 0.41 -0.18 3.99 1.63 -1.99 0.34 116.57 121.96 1auw h LYS 57 Ca -0.48 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.17 1auw h LYS 57 Cb 1.20 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1auw h LYS 57 CO 0.64 0.27 -0.39 1.79 -3.45 0.00 0.00 179.45 178.32 1auw h THR 58 N 0.42 1.34 -0.61 1.00 1.35 -1.99 -1.64 112.91 112.77 1auw h THR 58 Ca 0.54 -1.63 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 1auw h THR 58 Cb 1.32 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 1auw h THR 58 CO -0.24 0.50 0.23 -0.33 -0.25 0.00 0.00 175.52 175.43 1auw h GLU 59 N 0.24 0.93 0.30 4.72 5.08 -1.57 -1.58 114.58 122.69 1auw h GLU 59 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1auw h GLU 59 Cb 0.99 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1auw h GLU 59 CO 0.09 0.80 -0.31 1.25 -1.00 0.00 0.00 179.01 179.84 1auw h LEU 60 N 0.86 -0.83 -1.89 1.33 5.85 -0.95 -0.36 115.31 119.32 1auw h LEU 60 Ca 0.20 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1auw h LEU 60 Cb 0.23 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1auw h LEU 60 CO -0.01 -0.44 0.03 1.05 -0.34 0.00 0.00 178.44 178.73 1auw h GLU 61 N -0.64 0.10 -0.24 1.25 4.11 -1.13 -0.12 114.58 117.91 1auw h GLU 61 Ca -0.01 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 1auw h GLU 61 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1auw h GLU 61 CO -0.07 0.08 -0.18 0.87 0.07 0.00 0.00 179.01 179.79 1auw h LYS 62 N 0.10 0.54 -0.33 1.06 1.57 -0.67 -2.06 116.57 116.78 1auw h LYS 62 Ca 0.03 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1auw h LYS 62 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1auw h LYS 62 CO -0.00 0.84 0.02 0.82 -0.57 0.00 0.00 179.45 180.55 1auw h ILE 63 N 0.25 1.25 -0.48 1.86 2.04 -0.21 -1.16 117.51 121.06 1auw h ILE 63 Ca 0.05 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1auw h ILE 63 Cb 0.71 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1auw h ILE 63 CO 0.05 0.30 0.30 -0.07 0.00 0.00 0.00 178.15 178.73 1auw h LEU 64 N 0.39 0.51 -1.00 1.44 4.07 -1.07 0.12 115.31 119.77 1auw h LEU 64 Ca 0.10 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 1auw h LEU 64 Cb 0.42 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1auw h LEU 64 CO 0.01 0.36 0.01 0.77 -1.08 0.00 0.00 178.44 178.51 1auw h SER 65 N 0.61 0.69 -0.39 -0.43 4.64 -1.27 -1.07 113.55 116.32 1auw h SER 65 Ca 0.19 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1auw h SER 65 Cb -0.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1auw h SER 65 CO -0.06 0.76 -0.01 1.23 -0.87 0.00 0.00 176.83 177.87 1auw h GLY 66 N 0.95 0.76 1.01 -0.77 0.00 -0.58 -2.45 103.07 101.99 1auw h GLY 66 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1auw h GLY 66 CO 0.02 0.53 0.57 1.41 0.00 0.00 0.00 176.54 179.06 1auw h LEU 67 N 0.53 1.02 -0.48 3.11 3.38 -0.27 -1.95 115.31 120.65 1auw h LEU 67 Ca 0.11 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1auw h LEU 67 Cb 0.50 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1auw h LEU 67 CO 0.02 0.76 0.22 -0.33 0.09 0.00 0.00 178.44 179.20 1auw h GLU 68 N 1.20 0.42 -0.31 1.13 5.08 -0.98 -1.08 114.58 120.04 1auw h GLU 68 Ca 0.32 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1auw h GLU 68 Cb -0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1auw h GLU 68 CO -0.07 0.28 0.05 -0.22 -1.00 0.00 0.00 179.01 178.05 1auw h LYS 69 N 0.43 0.15 -0.43 2.33 3.11 -0.89 -1.37 116.57 119.90 1auw h LYS 69 Ca 0.22 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1auw h LYS 69 Cb 0.16 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 1auw h LYS 69 CO -0.18 0.10 0.26 0.82 -2.81 0.00 0.00 179.45 177.65 1auw h ILE 70 N 0.15 1.06 -0.51 2.00 2.04 -0.98 -0.94 117.51 120.34 1auw h ILE 70 Ca 0.14 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1auw h ILE 70 Cb 0.17 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 1auw h ILE 70 CO -0.20 0.10 -0.20 -1.28 0.00 0.00 0.00 178.15 176.57 1auw h SER 71 N 0.53 -0.70 -0.78 1.72 0.87 -0.43 0.01 113.55 114.79 1auw h SER 71 Ca 0.17 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1auw h SER 71 Cb -0.01 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1auw h SER 71 CO -0.07 -0.23 0.42 -0.33 -0.53 0.00 0.00 176.83 176.10 1auw h GLU 72 N -0.08 1.09 -0.78 2.24 5.08 -0.59 0.59 114.58 122.14 1auw h GLU 72 Ca 0.24 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1auw h GLU 72 Cb 0.45 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1auw h GLU 72 CO -0.56 0.81 0.51 0.93 -1.00 0.00 0.00 179.01 179.70 1auw h GLU 73 N 1.09 0.84 -0.10 2.33 5.08 0.29 0.33 114.58 124.43 1auw h GLU 73 Ca 0.27 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1auw h GLU 73 Cb 0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1auw h GLU 73 CO -0.04 0.55 -0.27 -1.49 -1.00 0.00 0.00 179.01 176.76 1auw h TRP 74 N 0.86 0.47 -0.13 4.33 4.06 -0.30 0.08 115.95 125.32 1auw h TRP 74 Ca 0.33 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 61.08 1auw h TRP 74 Cb 0.20 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1auw h TRP 74 CO -0.00 0.89 0.01 0.77 -3.56 0.00 0.00 178.44 176.55 1auw h SER 75 N -0.08 0.16 0.50 -3.49 0.02 0.15 -1.27 113.55 109.54 1auw h SER 75 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1auw h SER 75 Cb 0.88 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1auw h SER 75 CO 0.06 0.20 -0.42 0.29 -1.14 0.00 0.00 176.83 175.81 1auw n LYS 76 N -4.43 0.13 -2.64 3.45 4.76 0.10 -4.94 118.16 114.59 1auw n LYS 76 Ca -0.01 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.21 1auw n LYS 76 Cb 0.15 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1auw n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1auw n GLY 77 N 1.47 -0.13 0.13 0.72 0.00 -0.48 -4.90 105.19 102.00 1auw n GLY 77 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1auw n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1auw n VAL 78 N -4.06 0.00 -1.69 1.61 3.14 -0.06 -5.00 118.33 112.26 1auw n VAL 78 Ca -0.09 -0.35 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 1auw n VAL 78 Cb 0.59 1.07 -0.03 0.00 -1.06 0.00 0.00 33.84 34.41 1auw n VAL 78 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1auw s PHE 79 N -1.54 1.32 -0.39 1.45 2.19 -0.85 -4.94 117.98 115.21 1auw s PHE 79 Ca 0.06 -0.34 -0.24 0.00 0.33 0.00 0.00 56.93 56.74 1auw s PHE 79 Cb 0.07 -4.20 0.02 0.00 -1.31 0.00 0.00 43.02 37.60 1auw s PHE 79 CO 0.30 -5.34 0.84 0.08 1.83 0.00 0.00 175.22 172.92 1auw s VAL 80 N 4.71 4.65 -0.56 3.12 1.01 -1.26 -5.01 120.40 127.06 1auw s VAL 80 Ca 0.88 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 63.49 1auw s VAL 80 Cb -0.41 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.73 1auw s VAL 80 CO 0.40 -0.56 0.87 -0.69 0.00 0.00 0.00 175.10 175.11 1auw s VAL 81 N 3.31 4.50 0.51 2.92 1.01 -1.26 -5.03 120.40 126.35 1auw s VAL 81 Ca 0.33 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1auw s VAL 81 Cb -0.12 -4.51 -0.07 0.00 0.00 0.00 0.00 36.38 31.67 1auw s VAL 81 CO 0.20 -1.11 1.09 -0.75 0.00 0.00 0.00 175.10 174.53 1auw s LYS 82 N 3.64 3.61 0.00 2.72 2.47 -1.26 -4.91 119.74 126.01 1auw s LYS 82 Ca 0.25 1.53 0.00 0.00 -1.56 0.00 0.00 55.97 56.19 1auw s LYS 82 Cb -0.15 -2.11 0.00 0.00 -1.46 0.00 0.00 37.83 34.11 1auw s LYS 82 CO 0.15 -0.62 0.33 0.94 0.16 0.00 0.00 175.35 176.31 1auw n GLN 83 N -1.02 0.62 0.00 4.03 -0.06 -1.26 -2.16 117.38 117.52 1auw n GLN 83 Ca 0.10 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.15 1auw n GLN 83 Cb 0.51 -1.30 -0.01 0.00 -4.06 0.00 0.00 30.24 25.38 1auw n GLN 83 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1auw n SER 84 N 0.23 1.09 -4.61 1.69 3.41 -1.26 -4.95 113.62 109.22 1auw n SER 84 Ca 0.00 -1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.13 1auw n SER 84 Cb 0.17 0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1auw n SER 84 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1auw s ASP 85 N -1.49 6.73 0.11 4.04 1.01 -0.92 -4.92 116.67 121.23 1auw s ASP 85 Ca 0.08 0.65 -0.12 0.00 0.71 0.00 0.00 52.55 53.87 1auw s ASP 85 Cb 0.08 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 1auw s ASP 85 CO 0.29 -1.12 1.31 -0.08 0.21 0.00 0.00 175.17 175.78 1auw h GLU 86 N 8.83 0.78 -3.79 8.23 4.81 -1.92 -3.43 114.58 128.09 1auw h GLU 86 Ca -0.22 -0.64 -0.12 0.00 -0.13 0.00 0.00 59.36 58.25 1auw h GLU 86 Cb 1.06 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 1auw h GLU 86 CO 1.09 1.25 -0.15 0.16 -0.73 0.00 0.00 179.01 180.63 1auw s ASP 87 N -7.11 0.15 0.30 1.04 1.47 -1.26 -1.43 116.67 109.82 1auw s ASP 87 Ca -0.10 -1.10 0.01 0.00 1.18 0.00 0.00 52.55 52.54 1auw s ASP 87 Cb 0.09 0.60 0.54 0.00 -0.34 0.00 0.00 42.92 43.81 1auw s ASP 87 CO 0.90 -1.18 1.89 -0.29 0.68 0.00 0.00 175.17 177.18 1auw h ILE 88 N 2.24 1.03 -0.82 2.11 6.09 -1.89 -1.17 117.51 125.10 1auw h ILE 88 Ca -0.28 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 62.83 1auw h ILE 88 Cb 1.25 -0.08 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 1auw h ILE 88 CO 0.38 0.19 0.38 0.78 -3.07 0.00 0.00 178.15 176.80 1auw h ASN 89 N 1.02 1.08 0.06 2.19 2.35 -1.94 -1.91 115.58 118.43 1auw h ASN 89 Ca 0.42 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1auw h ASN 89 Cb 0.28 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1auw h ASN 89 CO -0.17 0.92 -0.03 0.74 -1.65 0.00 0.00 177.43 177.24 1auw h THR 90 N 1.17 1.25 -0.66 2.81 2.02 -1.79 -2.59 112.91 115.13 1auw h THR 90 Ca 0.28 -1.24 0.14 0.00 0.77 0.00 0.00 66.41 66.36 1auw h THR 90 Cb 0.14 2.04 -0.11 0.00 -1.74 0.00 0.00 68.15 68.48 1auw h THR 90 CO -0.03 0.30 -0.01 0.00 0.37 0.00 0.00 175.52 176.15 1auw h ALA 91 N 0.20 0.65 -0.61 6.16 0.00 -1.12 0.93 119.26 125.46 1auw h ALA 91 Ca -0.01 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1auw h ALA 91 Cb 0.56 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1auw h ALA 91 CO 0.01 -0.40 0.13 -0.91 0.00 0.00 0.00 179.25 178.09 1auw h ASN 92 N 0.11 0.94 -0.77 0.00 2.35 -1.40 -1.88 115.58 114.93 1auw h ASN 92 Ca 0.35 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1auw h ASN 92 Cb 0.58 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1auw h ASN 92 CO -0.57 0.94 0.49 -0.33 -1.65 0.00 0.00 177.43 176.31 1auw h GLU 93 N 0.90 0.93 0.14 0.81 5.08 -0.49 -1.46 114.58 120.49 1auw h GLU 93 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1auw h GLU 93 Cb 0.38 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1auw h GLU 93 CO 0.01 0.62 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.47 1auw h ARG 94 N 0.96 -0.18 -0.96 2.33 2.43 -0.78 -2.82 114.38 115.35 1auw h ARG 94 Ca 0.31 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 1auw h ARG 94 Cb 0.01 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1auw h ARG 94 CO -0.11 -0.09 0.62 -0.09 -1.51 0.00 0.00 179.97 178.79 1auw h ARG 95 N -0.22 1.12 -0.72 0.20 9.65 -0.85 -1.87 114.38 121.70 1auw h ARG 95 Ca -0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1auw h ARG 95 Cb 0.17 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 1auw h ARG 95 CO 0.03 0.74 0.39 1.25 2.80 0.00 0.00 179.97 185.18 1auw h LEU 96 N 1.15 0.90 -0.98 3.80 6.46 -1.15 -1.56 115.31 123.93 1auw h LEU 96 Ca 0.41 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1auw h LEU 96 Cb 0.12 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1auw h LEU 96 CO -0.16 0.74 0.11 0.07 -0.62 0.00 0.00 178.44 178.58 1auw h LYS 97 N 0.99 0.85 0.00 1.25 5.09 -1.13 0.27 116.57 123.89 1auw h LYS 97 Ca 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1auw h LYS 97 Cb 0.05 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.25 1auw h LYS 97 CO -0.04 0.78 0.00 0.39 -2.09 0.00 0.00 179.45 178.49 1auw n GLU 98 N -4.26 0.43 -0.01 0.07 1.02 -0.65 -1.09 120.64 116.15 1auw n GLU 98 Ca 0.04 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1auw n GLU 98 Cb 0.24 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1auw n GLU 98 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1auw n LEU 99 N -1.13 0.11 0.03 -4.62 4.77 -0.43 -4.84 117.00 110.90 1auw n LEU 99 Ca 0.11 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1auw n LEU 99 Cb 0.10 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1auw n LEU 99 CO 0.12 0.01 -0.39 -0.38 -1.33 0.00 0.00 177.39 175.42 1auw n ILE 100 N -3.07 0.24 -1.57 -0.08 2.08 0.82 -5.07 119.36 112.71 1auw n ILE 100 Ca -0.02 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1auw n ILE 100 Cb 0.51 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 1auw n ILE 100 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1auw n GLY 101 N 1.25 -1.80 0.00 7.39 0.00 -0.25 -4.29 105.19 107.49 1auw n GLY 101 Ca -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1auw n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1auw n ASP 102 N 0.18 0.00 0.21 1.61 9.92 -1.26 -1.43 116.55 125.77 1auw n ASP 102 Ca 0.00 0.36 0.06 0.00 -0.53 0.00 0.00 54.79 54.68 1auw n ASP 102 Cb 0.00 -0.36 0.45 0.00 -0.64 0.00 0.00 41.12 40.57 1auw n ASP 102 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1auw h ILE 103 N 0.00 1.03 -0.66 0.53 2.04 -1.95 -2.60 117.51 115.91 1auw h ILE 103 Ca 0.00 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1auw h ILE 103 Cb 0.14 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1auw h ILE 103 CO 0.00 0.29 0.43 0.00 0.00 0.00 0.00 178.15 178.87 1auw h ALA 104 N 1.70 1.71 -0.02 1.87 0.00 -1.53 -1.90 119.26 121.09 1auw h ALA 104 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1auw h ALA 104 Cb 0.59 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1auw h ALA 104 CO 0.04 0.20 0.11 0.78 0.00 0.00 0.00 179.25 180.38 1auw h GLY 105 N 0.72 0.00 2.00 0.00 0.00 -1.67 -0.90 103.07 103.21 1auw h GLY 105 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1auw h GLY 105 CO -0.08 0.00 -0.34 0.50 0.00 0.00 0.00 176.54 176.61 1auw h LYS 106 N 0.00 0.00 -0.12 4.80 1.79 -1.51 -2.88 116.57 118.65 1auw h LYS 106 Ca 0.01 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1auw h LYS 106 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1auw h LYS 106 CO -0.00 0.34 0.10 -0.07 -1.08 0.00 0.00 179.45 178.74 1auw h LEU 107 N 0.00 0.00 -1.29 2.94 3.38 -1.33 -2.05 115.31 116.96 1auw h LEU 107 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 107 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1auw h LEU 107 CO 0.04 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.02 1auw h HIS 108 N 0.00 0.00 -1.04 1.13 3.86 -1.69 -3.43 115.15 113.98 1auw h HIS 108 Ca 0.06 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.58 1auw h HIS 108 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1auw h HIS 108 CO 0.00 0.00 1.35 2.41 0.86 0.00 0.00 177.93 182.55 1auw n THR 109 N -2.98 0.19 -0.93 2.45 -1.04 -0.77 -1.56 114.28 109.64 1auw n THR 109 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1auw n THR 109 Cb 0.31 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1auw n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1auw n GLY 110 N 6.39 0.33 3.98 3.41 0.00 -1.26 -5.00 105.19 113.03 1auw n GLY 110 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 1auw n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1auw s ARG 111 N -0.84 3.22 0.04 1.61 3.52 -0.60 -4.66 118.95 121.23 1auw s ARG 111 Ca 0.00 -0.92 -0.06 0.00 -0.13 0.00 0.00 55.73 54.62 1auw s ARG 111 Cb 0.00 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1auw s ARG 111 CO 0.00 0.17 0.11 0.45 -0.81 0.00 0.00 175.30 175.22 1auw s SER 112 N -4.12 0.15 0.19 -2.12 0.15 -1.26 -4.88 113.70 101.81 1auw s SER 112 Ca 0.42 -0.50 -0.09 0.00 0.70 0.00 0.00 55.95 56.48 1auw s SER 112 Cb -0.09 0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.54 1auw s SER 112 CO 0.31 -0.52 1.64 0.03 1.20 0.00 0.00 173.24 175.90 1auw h ARG 113 N 3.62 1.06 -0.94 5.44 2.47 -1.99 -0.77 114.38 123.28 1auw h ARG 113 Ca -0.32 -0.34 0.18 0.00 -1.26 0.00 0.00 59.98 58.24 1auw h ARG 113 Cb 1.19 -0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 29.33 1auw h ARG 113 CO 0.50 1.04 0.60 -0.91 0.56 0.00 0.00 179.97 181.76 1auw h ASN 114 N 0.97 0.59 0.10 7.04 2.35 -1.91 0.17 115.58 124.88 1auw h ASN 114 Ca 0.17 0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.77 1auw h ASN 114 Cb 0.57 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.91 1auw h ASN 114 CO 0.03 0.25 -0.87 -0.78 -1.65 0.00 0.00 177.43 174.41 1auw h ASP 115 N 0.60 0.60 0.31 5.81 3.58 -1.56 -3.34 116.42 122.42 1auw h ASP 115 Ca 0.50 -0.86 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 1auw h ASP 115 Cb 0.97 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1auw h ASP 115 CO -0.24 1.40 -0.15 1.56 -2.88 0.00 0.00 179.24 178.93 1auw h GLN 116 N -0.11 -0.40 -0.88 0.28 4.20 0.22 -3.13 115.11 115.29 1auw h GLN 116 Ca -0.14 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.71 1auw h GLN 116 Cb 1.62 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 29.36 1auw h GLN 116 CO 0.17 -0.14 -0.48 0.28 -0.67 0.00 0.00 178.83 177.99 1auw h VAL 117 N -0.62 0.02 -0.71 -0.54 2.07 -0.88 0.22 116.25 115.81 1auw h VAL 117 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1auw h VAL 117 Cb 0.45 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1auw h VAL 117 CO 0.07 0.00 0.28 -0.37 0.02 0.00 0.00 177.57 177.57 1auw h VAL 118 N -0.07 1.24 -0.50 2.57 -1.51 -1.68 -1.60 116.25 114.70 1auw h VAL 118 Ca 0.23 -0.75 -0.11 0.00 -1.23 0.00 0.00 66.70 64.83 1auw h VAL 118 Cb 0.52 0.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.06 1auw h VAL 118 CO -0.88 0.31 -0.12 0.74 -1.23 0.00 0.00 177.57 176.38 1auw h THR 119 N 1.02 1.27 0.22 7.19 2.02 -1.11 -1.16 112.91 122.36 1auw h THR 119 Ca 0.24 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1auw h THR 119 Cb 0.19 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1auw h THR 119 CO -0.02 0.44 -0.11 0.44 0.37 0.00 0.00 175.52 176.64 1auw h ASP 120 N 0.84 -0.25 -0.41 4.18 5.19 -0.09 -1.57 116.42 124.31 1auw h ASP 120 Ca 0.13 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1auw h ASP 120 Cb 0.67 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 1auw h ASP 120 CO 0.05 -0.18 0.16 -0.07 -3.12 0.00 0.00 179.24 176.08 1auw h LEU 121 N -0.30 0.57 -0.78 1.55 3.38 -1.24 -1.61 115.31 116.88 1auw h LEU 121 Ca -0.03 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.84 1auw h LEU 121 Cb 0.23 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1auw h LEU 121 CO 0.05 0.59 0.45 0.11 0.09 0.00 0.00 178.44 179.73 1auw h LYS 122 N 0.52 0.77 -0.34 1.13 1.57 -1.09 0.17 116.57 119.30 1auw h LYS 122 Ca 0.14 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1auw h LYS 122 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1auw h LYS 122 CO -0.01 0.51 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.05 1auw h LEU 123 N 0.79 0.82 -0.39 2.94 3.38 -1.11 -1.72 115.31 120.02 1auw h LEU 123 Ca 0.36 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1auw h LEU 123 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1auw h LEU 123 CO -0.22 1.09 0.23 0.15 0.09 0.00 0.00 178.44 179.78 1auw h PHE 124 N 0.55 0.52 -0.66 1.13 3.57 -0.67 -2.74 116.94 118.66 1auw h PHE 124 Ca 0.06 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1auw h PHE 124 Cb 0.82 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1auw h PHE 124 CO 0.06 0.38 0.10 0.52 -2.23 0.00 0.00 178.31 177.14 1auw h MET 125 N 0.51 1.09 -0.57 1.11 2.86 -0.63 -0.76 114.93 118.55 1auw h MET 125 Ca 0.14 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1auw h MET 125 Cb 0.02 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1auw h MET 125 CO -0.03 1.00 0.32 -0.22 1.06 0.00 0.00 176.91 179.04 1auw h LYS 126 N 1.01 0.59 -0.21 1.72 3.64 -1.19 0.31 116.57 122.44 1auw h LYS 126 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1auw h LYS 126 Cb 0.45 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1auw h LYS 126 CO 0.01 0.39 -0.18 -0.91 -2.27 0.00 0.00 179.45 176.49 1auw h ASN 127 N 0.61 0.52 -0.43 4.20 2.35 -1.21 -3.04 115.58 118.58 1auw h ASN 127 Ca 0.25 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1auw h ASN 127 Cb 0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1auw h ASN 127 CO -0.15 0.88 0.23 0.28 -1.65 0.00 0.00 177.43 177.02 1auw h SER 128 N 0.17 0.56 0.50 5.81 0.02 -0.67 -2.25 113.55 117.69 1auw h SER 128 Ca 0.04 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1auw h SER 128 Cb 0.72 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1auw h SER 128 CO 0.05 0.47 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.84 1auw h LEU 129 N 0.64 0.00 -0.53 5.07 3.38 -0.30 -1.73 115.31 121.84 1auw h LEU 129 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1auw h LEU 129 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1auw h LEU 129 CO -0.02 0.30 -0.46 0.28 0.09 0.00 0.00 178.44 178.63 1auw h SER 130 N 0.00 0.72 -0.23 -0.43 0.02 -1.30 -0.83 113.55 111.50 1auw h SER 130 Ca -0.00 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.49 1auw h SER 130 Cb 0.64 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1auw h SER 130 CO 0.04 1.07 -0.27 0.40 -1.14 0.00 0.00 176.83 176.93 1auw h ILE 131 N 0.53 1.32 -0.49 3.27 2.04 -1.37 -2.71 117.51 120.11 1auw h ILE 131 Ca 0.03 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 1auw h ILE 131 Cb 1.00 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1auw h ILE 131 CO 0.09 0.45 0.20 0.40 0.00 0.00 0.00 178.15 179.30 1auw h ILE 132 N 0.28 1.21 -0.39 -0.67 2.04 -1.28 -2.82 117.51 115.88 1auw h ILE 132 Ca 0.03 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1auw h ILE 132 Cb 0.83 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1auw h ILE 132 CO 0.06 0.24 0.01 -1.28 0.00 0.00 0.00 178.15 177.18 1auw h SER 133 N 0.65 -0.14 -0.85 1.72 0.87 -1.08 0.05 113.55 114.76 1auw h SER 133 Ca 0.16 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1auw h SER 133 Cb 0.18 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1auw h SER 133 CO -0.01 -0.04 0.43 0.71 -0.53 0.00 0.00 176.83 177.39 1auw h THR 134 N 0.11 1.26 -0.18 2.23 1.35 -1.37 0.61 112.91 116.93 1auw h THR 134 Ca 0.19 -0.70 -0.14 0.00 -0.55 0.00 0.00 66.41 65.21 1auw h THR 134 Cb 0.26 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1auw h THR 134 CO -0.31 0.31 -0.48 0.45 -0.25 0.00 0.00 175.52 175.24 1auw h HIS 135 N 1.21 0.56 -0.11 4.73 -0.00 -1.16 -0.82 115.15 119.57 1auw h HIS 135 Ca 0.30 -0.18 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1auw h HIS 135 Cb 0.09 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1auw h HIS 135 CO 0.01 0.86 -0.02 1.25 -0.00 0.00 0.00 177.93 180.03 1auw h LEU 136 N 0.37 0.20 -1.44 2.43 6.46 -0.45 -2.26 115.31 120.62 1auw h LEU 136 Ca 0.02 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1auw h LEU 136 Cb 0.98 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1auw h LEU 136 CO 0.09 0.50 0.24 -0.07 -0.62 0.00 0.00 178.44 178.58 1auw h LEU 137 N -0.11 0.55 -0.22 2.25 -0.00 -0.77 -1.83 115.31 115.18 1auw h LEU 137 Ca 0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1auw h LEU 137 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1auw h LEU 137 CO 0.01 0.45 0.06 1.56 -0.00 0.00 0.00 178.44 180.52 1auw h GLN 138 N 0.63 0.35 -0.27 1.13 1.08 -0.95 -0.50 115.11 116.57 1auw h GLN 138 Ca 0.16 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1auw h GLN 138 Cb 0.03 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 1auw h GLN 138 CO -0.03 0.46 0.02 1.25 -0.95 0.00 0.00 178.83 179.58 1auw h LEU 139 N 0.17 -0.06 -1.04 1.46 5.85 -0.94 0.10 115.31 120.85 1auw h LEU 139 Ca 0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1auw h LEU 139 Cb 0.27 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1auw h LEU 139 CO 0.00 0.00 0.52 0.40 -0.34 0.00 0.00 178.44 179.02 1auw h ILE 140 N 0.11 1.24 -0.36 4.05 2.04 -1.24 -1.34 117.51 122.00 1auw h ILE 140 Ca 0.13 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1auw h ILE 140 Cb 0.16 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1auw h ILE 140 CO -0.20 0.25 0.06 0.50 0.00 0.00 0.00 178.15 178.76 1auw h LYS 141 N 1.20 0.59 -0.64 2.37 3.11 -0.31 -1.33 116.57 121.57 1auw h LYS 141 Ca 0.31 -0.16 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1auw h LYS 141 Cb -0.05 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.09 1auw h LYS 141 CO -0.06 0.66 0.34 1.15 -2.81 0.00 0.00 179.45 178.74 1auw h THR 142 N 0.43 1.20 -0.31 1.00 2.02 -0.24 0.35 112.91 117.37 1auw h THR 142 Ca 0.11 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1auw h THR 142 Cb 0.36 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1auw h THR 142 CO 0.01 0.23 0.06 -0.07 0.37 0.00 0.00 175.52 176.11 1auw h LEU 143 N 0.87 0.48 -1.00 2.58 3.38 -1.15 -0.87 115.31 119.60 1auw h LEU 143 Ca 0.22 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1auw h LEU 143 Cb 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1auw h LEU 143 CO -0.03 0.61 0.13 0.58 0.09 0.00 0.00 178.44 179.81 1auw h VAL 144 N 0.34 1.23 -0.20 1.22 2.07 -1.03 -2.26 116.25 117.61 1auw h VAL 144 Ca 0.10 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1auw h VAL 144 Cb 0.32 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1auw h VAL 144 CO 0.00 0.31 -0.22 -0.08 0.02 0.00 0.00 177.57 177.61 1auw h GLU 145 N 0.82 0.51 0.00 1.57 4.81 -0.74 -2.83 114.58 118.72 1auw h GLU 145 Ca 0.18 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1auw h GLU 145 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1auw h GLU 145 CO -0.00 0.86 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.83 1auw h ARG 146 N 0.18 0.00 -0.04 1.92 2.43 -1.05 -2.42 114.38 115.41 1auw h ARG 146 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1auw h ARG 146 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1auw h ARG 146 CO 0.05 0.21 -0.59 0.00 -1.51 0.00 0.00 179.97 178.14 1auw h ALA 147 N 1.79 0.95 -0.07 2.80 0.00 -1.28 -0.50 119.26 122.95 1auw h ALA 147 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1auw h ALA 147 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1auw h ALA 147 CO 0.03 0.73 -0.26 0.00 0.00 0.00 0.00 179.25 179.75 1auw h ALA 148 N 1.31 0.13 -0.05 0.00 0.00 -1.20 -2.97 119.26 116.48 1auw h ALA 148 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1auw h ALA 148 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1auw h ALA 148 CO 0.08 0.13 0.01 0.82 0.00 0.00 0.00 179.25 180.30 1auw h ILE 149 N -0.19 1.20 -0.77 0.00 1.08 -1.42 -3.22 117.51 114.18 1auw h ILE 149 Ca -0.01 -0.60 -0.47 0.00 -0.39 0.00 0.00 64.86 63.39 1auw h ILE 149 Cb 0.89 1.51 -0.23 0.00 -3.07 0.00 0.00 36.82 35.92 1auw h ILE 149 CO 0.05 0.17 0.60 -0.62 -0.69 0.00 0.00 178.15 177.66 1auw n GLU 150 N -4.92 2.15 0.18 2.37 1.02 -0.20 -4.61 120.64 116.64 1auw n GLU 150 Ca -0.07 -2.43 0.13 0.00 -0.02 0.00 0.00 57.16 54.77 1auw n GLU 150 Cb 0.15 -1.95 0.61 0.00 -0.02 0.00 0.00 31.44 30.23 1auw n GLU 150 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1auw h ILE 151 N 0.90 0.00 0.00 -3.67 2.10 -1.54 -2.86 117.51 112.44 1auw h ILE 151 Ca 0.48 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.23 1auw h ILE 151 Cb 1.53 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 1auw h ILE 151 CO 1.07 0.00 -0.73 0.47 -1.08 0.00 0.00 178.15 177.88 1auw n ASP 152 N -2.44 0.66 -4.72 2.19 8.00 -1.26 -4.83 116.55 114.14 1auw n ASP 152 Ca 0.00 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 1auw n ASP 152 Cb 0.17 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 1auw n ASP 152 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1auw s VAL 153 N -3.04 4.00 0.02 2.53 1.01 -1.08 -4.98 120.40 118.85 1auw s VAL 153 Ca 0.09 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.64 1auw s VAL 153 Cb 0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1auw s VAL 153 CO 0.76 0.16 -0.22 -0.63 0.00 0.00 0.00 175.10 175.17 1auw s ILE 154 N 0.70 1.76 0.22 2.22 1.01 -1.26 -0.48 121.20 125.37 1auw s ILE 154 Ca 0.56 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 1auw s ILE 154 Cb -0.29 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1auw s ILE 154 CO 0.31 0.36 0.41 -1.48 0.00 0.00 0.00 174.94 174.54 1auw s LEU 155 N -0.88 0.50 0.41 2.97 2.34 -0.45 -3.91 118.68 119.66 1auw s LEU 155 Ca 0.09 -0.92 -0.24 0.00 0.06 0.00 0.00 54.13 53.11 1auw s LEU 155 Cb -0.09 1.56 -0.08 0.00 -0.56 0.00 0.00 46.19 47.02 1auw s LEU 155 CO 0.01 -1.06 1.13 -2.16 -1.06 0.00 0.00 176.35 173.20 1auw s PRO 156 N -4.01 4.05 -0.05 1.48 0.04 -1.26 -1.39 135.00 133.85 1auw s PRO 156 Ca 0.22 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1auw s PRO 156 Cb 0.01 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1auw s PRO 156 CO 0.07 -0.29 0.28 0.20 0.04 0.00 0.00 177.00 177.30 1auw s GLY 157 N -1.32 2.32 0.01 0.56 0.00 0.11 -4.79 107.32 104.21 1auw s GLY 157 Ca 0.58 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.93 1auw s GLY 157 CO 0.34 -0.14 -0.18 -0.19 0.00 0.00 0.00 173.10 172.94 1auw s TYR 158 N -1.09 2.58 -0.07 1.90 1.51 -1.26 0.02 117.35 120.93 1auw s TYR 158 Ca 0.21 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1auw s TYR 158 Cb -0.14 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1auw s TYR 158 CO 0.10 0.21 -0.05 0.95 -1.11 0.00 0.00 175.55 175.65 1auw s THR 159 N -0.85 0.66 -1.33 -0.71 -4.23 -1.02 -4.69 115.64 103.47 1auw s THR 159 Ca 0.14 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1auw s THR 159 Cb -0.10 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1auw s THR 159 CO 0.04 0.28 0.00 1.41 -0.54 0.00 0.00 174.62 175.81 1auw n HIS 160 N 4.54 -0.27 -2.97 3.99 8.25 -1.26 -2.04 115.22 125.46 1auw n HIS 160 Ca -0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 1auw n HIS 160 Cb 0.50 -2.65 0.01 0.00 1.12 0.00 0.00 29.99 28.97 1auw n HIS 160 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1auw n LEU 161 N -1.72 -1.87 -4.16 2.41 7.94 -1.26 -4.98 117.00 113.36 1auw n LEU 161 Ca -0.15 -0.20 -0.26 0.00 -1.11 0.00 0.00 56.01 54.29 1auw n LEU 161 Cb 0.52 -2.48 -0.16 0.00 0.53 0.00 0.00 43.42 41.83 1auw n LEU 161 CO 0.20 0.09 -0.51 -1.10 -1.11 0.00 0.00 177.39 174.96 1auw s GLN 162 N -5.62 1.74 -0.02 1.96 -1.52 -0.87 -5.08 119.66 110.25 1auw s GLN 162 Ca 0.25 -0.64 -0.34 0.00 -1.95 0.00 0.00 55.36 52.68 1auw s GLN 162 Cb -0.12 -1.56 -0.12 0.00 -0.22 0.00 0.00 33.01 30.99 1auw s GLN 162 CO 0.31 0.30 1.81 1.63 -0.25 0.00 0.00 175.29 179.08 1auw n LYS 163 N 2.97 2.19 0.00 2.91 5.02 -1.26 -2.43 118.16 127.56 1auw n LYS 163 Ca -0.17 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1auw n LYS 163 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1auw n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1auw n ALA 164 N 5.85 0.00 -2.67 7.82 0.00 0.10 -4.91 120.51 126.71 1auw n ALA 164 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 1auw n ALA 164 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 1auw n ALA 164 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1auw s GLN 165 N -0.20 0.95 0.19 0.00 -2.07 -1.19 -4.76 119.66 112.57 1auw s GLN 165 Ca 0.00 -0.96 -0.30 0.00 -1.82 0.00 0.00 55.36 52.28 1auw s GLN 165 Cb 0.00 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 1auw s GLN 165 CO 0.00 -0.33 1.31 -1.25 -1.32 0.00 0.00 175.29 173.71 1auw s PRO 166 N -3.87 4.38 0.21 9.60 0.04 -1.26 0.04 135.00 144.14 1auw s PRO 166 Ca 0.07 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.20 1auw s PRO 166 Cb 0.04 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1auw s PRO 166 CO -0.09 -0.27 -0.03 0.96 0.04 0.00 0.00 177.00 177.61 1auw s ILE 167 N 0.23 1.10 0.07 0.56 -4.36 -0.49 -4.57 121.20 113.74 1auw s ILE 167 Ca 0.57 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.71 1auw s ILE 167 Cb -0.36 -2.22 -0.07 0.00 1.25 0.00 0.00 42.46 41.07 1auw s ILE 167 CO 0.37 -0.43 0.61 -0.13 0.24 0.00 0.00 174.94 175.60 1auw s ARG 168 N -3.83 4.29 0.41 0.37 0.52 -1.26 -1.34 118.95 118.12 1auw s ARG 168 Ca 0.25 0.82 0.20 0.00 -0.52 0.00 0.00 55.73 56.48 1auw s ARG 168 Cb 0.05 -3.27 1.13 0.00 0.52 0.00 0.00 34.95 33.38 1auw s ARG 168 CO 0.07 0.57 1.80 2.35 0.02 0.00 0.00 175.30 180.10 1auw h TRP 169 N 4.74 0.57 -0.01 -0.53 2.91 -1.06 0.12 115.95 122.69 1auw h TRP 169 Ca -0.48 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.51 1auw h TRP 169 Cb 1.21 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 1auw h TRP 169 CO 0.67 0.08 -0.23 0.77 -1.03 0.00 0.00 178.44 178.70 1auw h SER 170 N 0.37 0.02 -0.54 2.65 0.02 -1.78 -2.19 113.55 112.10 1auw h SER 170 Ca 0.56 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.41 1auw h SER 170 Cb 1.47 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1auw h SER 170 CO -0.24 0.25 -0.02 -0.61 -1.14 0.00 0.00 176.83 175.08 1auw h GLN 171 N 0.02 1.00 -0.37 3.45 5.75 -1.15 -0.08 115.11 123.73 1auw h GLN 171 Ca 0.00 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 1auw h GLN 171 Cb 0.42 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1auw h GLN 171 CO 0.03 0.99 0.05 0.35 -2.65 0.00 0.00 178.83 177.60 1auw h PHE 172 N 0.91 0.66 -0.34 3.99 3.57 -1.34 -1.38 116.94 123.00 1auw h PHE 172 Ca 0.16 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1auw h PHE 172 Cb 0.55 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1auw h PHE 172 CO 0.04 0.67 0.01 -0.07 -2.23 0.00 0.00 178.31 176.72 1auw h LEU 173 N 0.46 0.58 -1.61 0.59 3.38 -1.23 -3.06 115.31 114.43 1auw h LEU 173 Ca 0.11 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1auw h LEU 173 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1auw h LEU 173 CO 0.01 0.74 -0.10 -0.07 0.09 0.00 0.00 178.44 179.12 1auw h LEU 174 N 0.41 0.12 -1.46 1.67 3.38 -0.93 -1.60 115.31 116.90 1auw h LEU 174 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1auw h LEU 174 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1auw h LEU 174 CO 0.02 0.24 -0.10 0.77 0.09 0.00 0.00 178.44 179.45 1auw h SER 175 N 0.13 0.21 0.23 -0.43 4.64 -1.15 0.96 113.55 118.14 1auw h SER 175 Ca 0.03 -0.04 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1auw h SER 175 Cb 0.26 -0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1auw h SER 175 CO 0.01 0.35 -1.42 0.45 -0.87 0.00 0.00 176.83 175.35 1auw h HIS 176 N 0.22 0.89 -0.63 4.77 3.86 -1.32 -3.21 115.15 119.72 1auw h HIS 176 Ca 0.05 -0.65 0.01 0.00 -1.16 0.00 0.00 60.37 58.61 1auw h HIS 176 Cb 0.33 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1auw h HIS 176 CO 0.00 1.54 0.42 0.00 0.86 0.00 0.00 177.93 180.76 1auw h ALA 177 N 0.13 0.80 -0.85 2.45 0.00 -0.83 -1.74 119.26 119.22 1auw h ALA 177 Ca -0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1auw h ALA 177 Cb 2.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1auw h ALA 177 CO 0.24 0.23 0.47 -0.24 0.00 0.00 0.00 179.25 179.95 1auw h VAL 178 N 0.85 1.25 -0.39 0.00 3.04 -0.95 -0.05 116.25 120.00 1auw h VAL 178 Ca 0.23 -0.61 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 1auw h VAL 178 Cb -0.10 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.26 1auw h VAL 178 CO -0.05 0.28 -0.07 0.00 -1.01 0.00 0.00 177.57 176.72 1auw h ALA 179 N 1.32 1.15 -0.05 3.17 0.00 -1.43 -2.58 119.26 120.84 1auw h ALA 179 Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1auw h ALA 179 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1auw h ALA 179 CO -0.05 0.54 -0.54 -0.07 0.00 0.00 0.00 179.25 179.13 1auw h LEU 180 N 0.62 0.15 -1.06 0.00 4.07 -0.48 -2.90 115.31 115.70 1auw h LEU 180 Ca 0.12 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 1auw h LEU 180 Cb 0.49 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1auw h LEU 180 CO 0.03 0.66 -0.37 0.71 -1.08 0.00 0.00 178.44 178.39 1auw h THR 181 N 0.10 1.29 -0.69 0.22 1.35 -0.63 -1.84 112.91 112.71 1auw h THR 181 Ca -0.00 -1.38 -0.07 0.00 -0.55 0.00 0.00 66.41 64.41 1auw h THR 181 Cb 0.99 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 1auw h THR 181 CO 0.08 0.41 0.16 0.03 -0.25 0.00 0.00 175.52 175.95 1auw h ARG 182 N 0.16 1.09 -0.58 4.72 3.08 -1.36 0.65 114.38 122.13 1auw h ARG 182 Ca 0.02 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1auw h ARG 182 Cb 0.73 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1auw h ARG 182 CO 0.05 0.97 0.36 -0.44 -1.07 0.00 0.00 179.97 179.84 1auw h ASP 183 N 1.04 0.70 -0.43 7.04 3.32 -1.33 0.17 116.42 126.93 1auw h ASP 183 Ca 0.22 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1auw h ASP 183 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1auw h ASP 183 CO 0.00 0.54 0.27 -1.28 -1.72 0.00 0.00 179.24 177.05 1auw h SER 184 N 0.79 0.45 -0.60 6.45 0.87 -0.75 -0.54 113.55 120.22 1auw h SER 184 Ca 0.21 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1auw h SER 184 Cb -0.03 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.77 1auw h SER 184 CO -0.04 0.32 0.30 -0.08 -0.53 0.00 0.00 176.83 176.80 1auw h GLU 185 N 0.54 0.54 -0.43 2.24 4.81 0.04 -1.55 114.58 120.77 1auw h GLU 185 Ca 0.16 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1auw h GLU 185 Cb -0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1auw h GLU 185 CO -0.06 0.36 0.02 0.00 -0.73 0.00 0.00 179.01 178.61 1auw h ARG 186 N 0.56 0.69 -0.74 1.92 3.08 -0.43 -2.72 114.38 116.75 1auw h ARG 186 Ca 0.27 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1auw h ARG 186 Cb 0.21 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1auw h ARG 186 CO -0.20 0.69 0.41 1.25 -1.07 0.00 0.00 179.97 181.05 1auw h LEU 187 N 0.66 0.90 -0.66 3.04 5.85 -0.11 -1.29 115.31 123.70 1auw h LEU 187 Ca 0.14 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1auw h LEU 187 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1auw h LEU 187 CO 0.01 0.72 -0.06 1.23 -0.34 0.00 0.00 178.44 180.00 1auw h GLY 188 N 1.06 1.06 0.86 3.75 0.00 -1.14 -0.38 103.07 108.29 1auw h GLY 188 Ca 0.26 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1auw h GLY 188 CO -0.04 0.74 0.01 0.83 0.00 0.00 0.00 176.54 178.07 1auw h GLU 189 N 0.88 0.47 0.32 4.80 5.08 -1.30 -1.87 114.58 122.96 1auw h GLU 189 Ca 0.15 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1auw h GLU 189 Cb 0.60 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1auw h GLU 189 CO 0.04 0.62 -0.29 0.28 -1.00 0.00 0.00 179.01 178.66 1auw h VAL 190 N 0.25 0.39 -0.92 3.13 2.07 -1.18 -2.51 116.25 117.48 1auw h VAL 190 Ca 0.08 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.86 1auw h VAL 190 Cb 0.41 0.39 -0.15 0.00 -1.52 0.00 0.00 31.29 30.42 1auw h VAL 190 CO 0.01 0.00 0.31 0.50 0.02 0.00 0.00 177.57 178.41 1auw h LYS 191 N -0.63 0.20 -0.59 1.57 1.63 -0.90 0.26 116.57 118.12 1auw h LYS 191 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1auw h LYS 191 Cb 0.56 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1auw h LYS 191 CO -0.04 0.13 0.30 0.87 -3.45 0.00 0.00 179.45 177.27 1auw h LYS 192 N 0.21 0.82 0.00 1.90 1.57 -0.89 -1.59 116.57 118.59 1auw h LYS 192 Ca 0.61 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1auw h LYS 192 Cb 1.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1auw h LYS 192 CO -0.67 0.62 -0.35 0.54 -0.57 0.00 0.00 179.45 179.02 1auw n ARG 193 N -4.37 0.15 0.02 3.15 1.74 0.03 -3.36 116.66 114.01 1auw n ARG 193 Ca 0.05 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 1auw n ARG 193 Cb 0.11 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.80 1auw n ARG 193 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1auw h ILE 194 N 0.00 1.17 0.00 0.55 2.04 -0.91 -3.38 117.51 116.98 1auw h ILE 194 Ca 0.00 -2.94 -0.11 0.00 1.00 0.00 0.00 64.86 62.82 1auw h ILE 194 Cb 0.63 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 1auw h ILE 194 CO 0.00 0.71 -0.19 -3.20 0.00 0.00 0.00 178.15 175.47 1auw n ASN 195 N -3.22 4.73 -3.97 1.72 4.05 -0.64 -4.74 115.26 113.18 1auw n ASN 195 Ca -0.12 -2.33 -0.26 0.00 0.45 0.00 0.00 54.58 52.31 1auw n ASN 195 Cb 1.01 -1.17 -0.17 0.00 1.23 0.00 0.00 39.78 40.68 1auw n ASN 195 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1auw s VAL 196 N 0.83 1.16 -0.22 3.44 1.01 -1.26 -1.81 120.40 123.55 1auw s VAL 196 Ca 0.37 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1auw s VAL 196 Cb 0.18 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1auw s VAL 196 CO 0.00 0.38 1.50 -0.22 0.00 0.00 0.00 175.10 176.76 1auw s LEU 197 N 1.24 3.96 0.13 3.92 2.96 0.74 -4.76 118.68 126.88 1auw s LEU 197 Ca -0.03 1.58 0.23 0.00 -0.22 0.00 0.00 54.13 55.69 1auw s LEU 197 Cb -0.14 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1auw s LEU 197 CO -0.04 -1.12 0.95 -0.81 -1.32 0.00 0.00 176.35 174.01 1auw n PRO 198 N 7.40 0.54 -1.81 0.98 -0.04 -1.26 -0.64 135.00 140.16 1auw n PRO 198 Ca 0.17 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 1auw n PRO 198 Cb 0.45 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1auw n PRO 198 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1auw s LEU 199 N -4.87 4.20 0.00 1.53 2.96 -1.26 -2.80 118.68 118.45 1auw s LEU 199 Ca -0.01 2.96 0.00 0.00 -0.22 0.00 0.00 54.13 56.86 1auw s LEU 199 Cb 0.12 -3.82 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1auw s LEU 199 CO 0.81 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 1auw n GLY 200 N 0.54 0.76 0.05 7.98 0.00 -1.26 -4.96 105.19 108.29 1auw n GLY 200 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1auw n GLY 200 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1auw n SER 201 N 0.00 0.66 0.00 1.61 7.64 -1.12 -2.52 113.62 119.88 1auw n SER 201 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1auw n SER 201 Cb 0.00 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1auw n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1auw n GLY 202 N 1.36 -0.10 0.22 0.23 0.00 -1.25 -0.88 105.19 104.77 1auw n GLY 202 Ca 0.03 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1auw n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auw h ALA 203 N -0.43 0.33 0.00 4.61 0.00 -1.89 -3.32 119.26 118.55 1auw h ALA 203 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1auw h ALA 203 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1auw h ALA 203 CO 0.00 0.69 0.00 1.47 0.00 0.00 0.00 179.25 181.41 1auw n LEU 204 N -3.93 0.00 -0.67 0.00 -0.00 -1.25 -4.90 117.00 106.26 1auw n LEU 204 Ca -0.07 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.07 1auw n LEU 204 Cb 0.74 0.00 0.32 0.00 -0.00 0.00 0.00 43.42 44.49 1auw n LEU 204 CO 0.53 0.00 0.74 0.00 -0.00 0.00 0.00 177.39 178.65 1auw n ALA 205 N -0.23 2.59 0.00 1.47 0.00 -1.26 -3.05 120.51 120.04 1auw n ALA 205 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1auw n ALA 205 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1auw n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auw n GLY 206 N 1.27 -1.00 3.72 0.00 0.00 -0.06 -4.93 105.19 104.20 1auw n GLY 206 Ca 0.16 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 1auw n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1auw s ASN 207 N -0.89 6.83 0.03 1.61 3.84 -1.05 -3.94 114.94 121.37 1auw s ASN 207 Ca 0.00 1.00 0.27 0.00 0.21 0.00 0.00 52.86 54.34 1auw s ASN 207 Cb 0.00 -2.34 0.83 0.00 -0.55 0.00 0.00 41.25 39.19 1auw s ASN 207 CO 0.00 -0.04 1.66 -0.81 -2.79 0.00 0.00 177.10 175.12 1auw n PRO 208 N 3.63 0.05 -0.10 0.43 -0.04 -1.26 -3.91 135.00 133.80 1auw n PRO 208 Ca -0.05 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1auw n PRO 208 Cb 0.51 -1.54 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 1auw n PRO 208 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1auw n LEU 209 N -1.62 1.42 -3.65 1.53 4.77 -1.26 -4.90 117.00 113.28 1auw n LEU 209 Ca 0.06 -0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 55.17 1auw n LEU 209 Cb 0.35 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1auw n LEU 209 CO 0.31 0.32 0.08 -0.67 -1.33 0.00 0.00 177.39 176.10 1auw n ASP 210 N 0.20 -3.13 -4.77 -1.43 -0.08 -1.25 -4.92 116.55 101.17 1auw n ASP 210 Ca 0.13 -0.71 -0.37 0.00 -1.51 0.00 0.00 54.79 52.34 1auw n ASP 210 Cb 0.26 -4.49 0.00 0.00 2.34 0.00 0.00 41.12 39.23 1auw n ASP 210 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1auw s ILE 211 N -3.45 2.93 -0.77 5.18 1.10 -1.26 -4.94 121.20 119.99 1auw s ILE 211 Ca 0.25 0.69 -0.25 0.00 -0.51 0.00 0.00 60.65 60.82 1auw s ILE 211 Cb -0.12 -3.34 0.05 0.00 0.15 0.00 0.00 42.46 39.20 1auw s ILE 211 CO 0.78 -0.02 1.22 -0.62 -2.11 0.00 0.00 174.94 174.19 1auw s ASP 212 N -1.32 6.23 0.39 4.50 -1.08 -1.26 -4.86 116.67 119.27 1auw s ASP 212 Ca 0.66 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 1auw s ASP 212 Cb -0.30 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.43 1auw s ASP 212 CO 0.36 -1.67 1.86 0.03 0.52 0.00 0.00 175.17 176.27 1auw h ARG 213 N 9.84 0.00 -0.66 4.34 3.08 -1.94 -2.67 114.38 126.37 1auw h ARG 213 Ca -0.20 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 1auw h ARG 213 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1auw h ARG 213 CO 1.27 0.33 0.18 1.49 -1.07 0.00 0.00 179.97 182.18 1auw h GLU 214 N 0.00 1.03 0.03 0.04 4.57 -1.99 0.08 114.58 118.34 1auw h GLU 214 Ca -0.00 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1auw h GLU 214 Cb 0.61 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1auw h GLU 214 CO 0.04 0.90 -0.02 1.98 -1.18 0.00 0.00 179.01 180.73 1auw h MET 215 N 0.99 -0.04 -0.65 1.92 4.05 -1.89 -1.01 114.93 118.29 1auw h MET 215 Ca 0.21 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.71 1auw h MET 215 Cb 0.31 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 1auw h MET 215 CO -0.00 0.04 0.33 -0.07 0.23 0.00 0.00 176.91 177.44 1auw h LEU 216 N -0.11 0.46 -0.20 3.39 3.38 -1.32 0.74 115.31 121.65 1auw h LEU 216 Ca -0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1auw h LEU 216 Cb 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1auw h LEU 216 CO 0.01 0.29 0.04 -0.09 0.09 0.00 0.00 178.44 178.78 1auw h ARG 217 N 0.60 0.12 0.00 1.13 2.43 -0.73 0.38 114.38 118.31 1auw h ARG 217 Ca 0.30 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1auw h ARG 217 Cb 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1auw h ARG 217 CO -0.21 0.08 -0.00 0.77 -1.51 0.00 0.00 179.97 179.09 1auw h SER 218 N 0.12 -0.00 -0.20 -3.80 0.02 -0.29 0.82 113.55 110.22 1auw h SER 218 Ca 0.09 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1auw h SER 218 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1auw h SER 218 CO -0.12 0.05 0.13 -0.33 -1.14 0.00 0.00 176.83 175.42 1auw h GLU 219 N -0.05 0.26 0.00 3.45 4.39 -0.71 -2.36 114.58 119.55 1auw h GLU 219 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1auw h GLU 219 Cb 0.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1auw h GLU 219 CO 0.00 0.17 0.00 1.28 -1.16 0.00 0.00 179.01 179.30 1auw n LEU 220 N -4.96 0.00 -1.98 1.33 4.77 0.11 -4.93 117.00 111.33 1auw n LEU 220 Ca -0.03 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 1auw n LEU 220 Cb 0.03 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1auw n LEU 220 CO 0.33 -0.00 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.64 1auw n GLU 221 N -1.19 -2.13 -2.26 3.23 1.02 0.19 -5.02 120.64 114.47 1auw n GLU 221 Ca 0.17 0.74 -0.28 0.00 -0.02 0.00 0.00 57.16 57.77 1auw n GLU 221 Cb 0.20 -5.12 0.02 0.00 -0.02 0.00 0.00 31.44 26.52 1auw n GLU 221 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1auw s PHE 222 N -2.87 3.39 0.01 -0.32 0.40 -0.62 -5.00 117.98 112.96 1auw s PHE 222 Ca 0.08 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.29 1auw s PHE 222 Cb -0.04 -2.71 -0.25 0.00 0.51 0.00 0.00 43.02 40.53 1auw s PHE 222 CO 0.10 -0.77 0.88 0.00 0.70 0.00 0.00 175.22 176.13 1auw h ALA 223 N -0.21 0.40 -3.41 5.36 0.00 -1.68 -3.44 119.26 116.27 1auw h ALA 223 Ca -0.45 -1.16 -0.15 0.00 0.00 0.00 0.00 54.91 53.15 1auw h ALA 223 Cb 1.24 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1auw h ALA 223 CO 0.62 1.26 0.02 -1.13 0.00 0.00 0.00 179.25 180.02 1auw n SER 224 N -3.35 -1.47 -4.41 0.00 3.41 -1.19 -5.06 113.62 101.55 1auw n SER 224 Ca -0.14 -2.50 -0.24 0.00 -0.26 0.00 0.00 58.87 55.73 1auw n SER 224 Cb 1.03 2.59 -0.11 0.00 -0.26 0.00 0.00 64.21 67.46 1auw n SER 224 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1auw s ILE 225 N -2.55 2.23 0.44 -1.33 -4.36 -1.26 -0.18 121.20 114.18 1auw s ILE 225 Ca 0.20 -2.15 -0.26 0.00 -0.26 0.00 0.00 60.65 58.18 1auw s ILE 225 Cb -0.02 -2.12 -0.09 0.00 1.25 0.00 0.00 42.46 41.48 1auw s ILE 225 CO 0.14 -0.30 1.46 -1.54 0.24 0.00 0.00 174.94 174.94 1auw n SER 226 N -0.08 3.48 0.09 4.36 3.41 0.18 -4.77 113.62 120.29 1auw n SER 226 Ca -0.10 1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1auw n SER 226 Cb 0.58 -1.61 -0.13 0.00 -0.26 0.00 0.00 64.21 62.79 1auw n SER 226 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1auw h LEU 227 N 2.46 0.25 -7.45 1.04 4.07 -2.00 -3.46 115.31 110.22 1auw h LEU 227 Ca -0.51 -0.26 -0.30 0.00 0.08 0.00 0.00 57.88 56.88 1auw h LEU 227 Cb 1.26 -0.08 -0.35 0.00 1.08 0.00 0.00 40.66 42.57 1auw h LEU 227 CO 0.62 1.20 -0.70 0.21 -1.08 0.00 0.00 178.44 178.69 1auw s ASN 228 N -6.97 0.26 0.22 -0.43 3.84 -1.26 -5.06 114.94 105.54 1auw s ASN 228 Ca -0.02 0.11 -0.08 0.00 0.21 0.00 0.00 52.86 53.08 1auw s ASN 228 Cb 0.08 -0.01 0.27 0.00 -0.55 0.00 0.00 41.25 41.04 1auw s ASN 228 CO 0.86 -0.16 1.82 0.77 -2.79 0.00 0.00 177.10 177.60 1auw h SER 229 N 7.55 0.64 -0.52 -4.21 4.64 -1.89 -1.49 113.55 118.27 1auw h SER 229 Ca -0.38 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 1auw h SER 229 Cb 1.12 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1auw h SER 229 CO 0.39 0.41 0.15 0.24 -0.87 0.00 0.00 176.83 177.16 1auw h MET 230 N 0.77 0.87 -0.11 4.77 2.86 -1.87 -2.24 114.93 119.98 1auw h MET 230 Ca 0.32 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1auw h MET 230 Cb 0.18 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1auw h MET 230 CO -0.18 0.77 -0.14 0.22 1.06 0.00 0.00 176.91 178.64 1auw h ASP 231 N 0.84 0.32 -0.37 1.22 3.58 -1.80 -2.32 116.42 117.89 1auw h ASP 231 Ca 0.19 -0.51 0.04 0.00 0.42 0.00 0.00 57.03 57.17 1auw h ASP 231 Cb 0.28 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1auw h ASP 231 CO -0.00 0.76 0.25 0.00 -2.88 0.00 0.00 179.24 177.37 1auw h ALA 232 N 0.57 1.90 0.09 -0.78 0.00 -1.11 0.10 119.26 120.03 1auw h ALA 232 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1auw h ALA 232 Cb 0.68 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1auw h ALA 232 CO 0.03 0.05 -0.79 0.82 0.00 0.00 0.00 179.25 179.36 1auw h ILE 233 N 0.36 1.45 0.00 0.00 1.08 -1.42 -3.40 117.51 115.59 1auw h ILE 233 Ca 0.15 -2.36 -0.23 0.00 -0.39 0.00 0.00 64.86 62.04 1auw h ILE 233 Cb 0.17 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 1auw h ILE 233 CO -0.03 0.68 -1.63 -1.54 -0.69 0.00 0.00 178.15 174.93 1auw n SER 234 N -4.12 0.76 -4.78 1.72 3.41 -0.88 -4.90 113.62 104.83 1auw n SER 234 Ca -0.13 0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 1auw n SER 234 Cb 0.79 0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.94 1auw n SER 234 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1auw s GLU 235 N -2.77 3.33 -0.01 4.33 4.04 0.31 -4.95 118.70 122.98 1auw s GLU 235 Ca -0.04 1.45 0.14 0.00 0.04 0.00 0.00 54.97 56.55 1auw s GLU 235 Cb 0.08 -2.02 0.23 0.00 0.02 0.00 0.00 34.13 32.45 1auw s GLU 235 CO 0.82 -0.84 1.09 0.54 -1.84 0.00 0.00 175.26 175.04 1auw n ARG 236 N -1.58 0.05 -0.23 -4.83 5.12 -1.26 -4.90 116.66 109.02 1auw n ARG 236 Ca 0.10 -1.58 0.03 0.00 -1.93 0.00 0.00 57.85 54.47 1auw n ARG 236 Cb 0.52 -0.28 0.15 0.00 -1.16 0.00 0.00 32.46 31.69 1auw n ARG 236 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1auw h ASP 237 N 0.53 0.18 -0.20 0.55 5.19 -1.98 -0.26 116.42 120.43 1auw h ASP 237 Ca -0.12 0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.46 1auw h ASP 237 Cb 1.64 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.25 1auw h ASP 237 CO 0.05 0.08 0.16 2.19 -3.12 0.00 0.00 179.24 178.59 1auw h PHE 238 N 0.38 0.00 0.01 4.55 -0.00 -1.90 -0.24 116.94 119.74 1auw h PHE 238 Ca 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.25 1auw h PHE 238 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.51 1auw h PHE 238 CO -0.19 0.00 -0.35 0.28 -0.00 0.00 0.00 178.31 178.05 1auw h VAL 239 N 0.00 1.54 -0.57 0.88 2.07 -1.45 -2.74 116.25 115.97 1auw h VAL 239 Ca 0.09 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1auw h VAL 239 Cb 0.41 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1auw h VAL 239 CO -0.00 0.57 0.21 0.58 0.02 0.00 0.00 177.57 178.95 1auw h VAL 240 N -0.44 1.23 -0.72 2.57 2.07 -1.08 -1.32 116.25 118.55 1auw h VAL 240 Ca -0.05 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1auw h VAL 240 Cb 1.11 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1auw h VAL 240 CO 0.07 0.28 0.43 -0.33 0.02 0.00 0.00 177.57 178.04 1auw h GLU 241 N 0.79 0.98 -0.44 1.57 5.08 -1.14 0.13 114.58 121.55 1auw h GLU 241 Ca 0.19 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1auw h GLU 241 Cb 0.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1auw h GLU 241 CO -0.01 0.70 0.05 0.35 -1.00 0.00 0.00 179.01 179.10 1auw h PHE 242 N 0.99 0.79 -0.66 4.33 3.57 -1.32 -1.92 116.94 122.72 1auw h PHE 242 Ca 0.26 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1auw h PHE 242 Cb -0.03 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1auw h PHE 242 CO -0.01 0.77 0.23 -0.07 -2.23 0.00 0.00 178.31 176.99 1auw h LEU 243 N 0.59 0.92 -0.13 0.59 4.07 -0.77 -0.25 115.31 120.33 1auw h LEU 243 Ca 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1auw h LEU 243 Cb 0.42 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1auw h LEU 243 CO 0.01 0.85 0.01 0.28 -1.08 0.00 0.00 178.44 178.52 1auw h SER 244 N 0.97 0.22 -0.37 -0.43 0.02 -0.66 -0.18 113.55 113.11 1auw h SER 244 Ca 0.22 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1auw h SER 244 Cb 0.24 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1auw h SER 244 CO -0.01 0.44 0.04 0.15 -1.14 0.00 0.00 176.83 176.31 1auw h PHE 245 N -0.01 0.06 -0.69 3.45 3.57 -1.18 -1.80 116.94 120.33 1auw h PHE 245 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1auw h PHE 245 Cb 0.32 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1auw h PHE 245 CO 0.02 -0.02 0.46 0.00 -2.23 0.00 0.00 178.31 176.53 1auw h ALA 246 N 1.30 0.88 -0.27 2.41 0.00 -0.81 -1.28 119.26 121.49 1auw h ALA 246 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1auw h ALA 246 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1auw h ALA 246 CO -0.27 0.29 0.08 1.15 0.00 0.00 0.00 179.25 180.51 1auw h THR 247 N 0.93 1.20 -0.61 0.00 2.02 -0.58 -0.94 112.91 114.93 1auw h THR 247 Ca 0.25 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1auw h THR 247 Cb -0.10 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1auw h THR 247 CO -0.06 0.21 0.21 0.25 0.37 0.00 0.00 175.52 176.51 1auw h LEU 248 N 0.27 0.87 -0.53 2.58 6.46 -1.23 0.93 115.31 124.66 1auw h LEU 248 Ca 0.09 -0.19 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1auw h LEU 248 Cb 0.25 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1auw h LEU 248 CO -0.00 0.83 0.27 0.25 -0.62 0.00 0.00 178.44 179.17 1auw h LEU 249 N 0.87 0.38 -1.30 2.25 5.85 -1.06 -0.06 115.31 122.23 1auw h LEU 249 Ca 0.20 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1auw h LEU 249 Cb 0.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1auw h LEU 249 CO -0.01 0.26 -0.34 0.24 -0.34 0.00 0.00 178.44 178.24 1auw h MET 250 N 0.51 0.00 -0.53 1.25 2.86 -0.70 -1.33 114.93 116.99 1auw h MET 250 Ca 0.24 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1auw h MET 250 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1auw h MET 250 CO -0.17 0.34 -0.15 0.82 1.06 0.00 0.00 176.91 178.81 1auw h ILE 251 N 0.00 1.27 -0.46 -1.22 1.08 0.66 0.82 117.51 119.65 1auw h ILE 251 Ca -0.00 -1.32 -0.08 0.00 -0.39 0.00 0.00 64.86 63.07 1auw h ILE 251 Cb 0.63 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1auw h ILE 251 CO 0.04 0.46 -0.03 0.45 -0.69 0.00 0.00 178.15 178.38 1auw h HIS 252 N 0.90 0.92 -0.33 1.37 3.86 -0.55 -2.65 115.15 118.67 1auw h HIS 252 Ca 0.13 -0.17 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 1auw h HIS 252 Cb 0.73 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1auw h HIS 252 CO 0.05 0.90 -0.32 -0.07 0.86 0.00 0.00 177.93 179.35 1auw h LEU 253 N 0.68 0.74 -1.03 2.43 3.38 -1.08 -2.48 115.31 117.95 1auw h LEU 253 Ca 0.13 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1auw h LEU 253 Cb 0.55 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1auw h LEU 253 CO 0.03 1.01 0.38 0.77 0.09 0.00 0.00 178.44 180.72 1auw h SER 254 N 0.61 0.96 -0.42 -0.43 4.64 -0.73 0.79 113.55 118.97 1auw h SER 254 Ca 0.07 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1auw h SER 254 Cb 0.83 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1auw h SER 254 CO 0.07 0.79 -0.14 0.50 -0.87 0.00 0.00 176.83 177.19 1auw h LYS 255 N 1.06 0.84 -0.37 4.77 3.64 -1.38 -0.93 116.57 124.20 1auw h LYS 255 Ca 0.26 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1auw h LYS 255 Cb 0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1auw h LYS 255 CO -0.04 0.97 -0.10 1.98 -2.27 0.00 0.00 179.45 180.00 1auw h MET 256 N 0.66 0.63 -0.21 1.90 4.05 -0.96 -1.57 114.93 119.42 1auw h MET 256 Ca 0.10 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1auw h MET 256 Cb 0.68 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1auw h MET 256 CO 0.05 0.72 0.00 0.00 0.23 0.00 0.00 176.91 177.91 1auw h ALA 257 N 1.32 0.29 -0.11 0.39 0.00 -0.66 -2.30 119.26 118.18 1auw h ALA 257 Ca 0.11 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1auw h ALA 257 Cb 0.51 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1auw h ALA 257 CO 0.03 0.00 -0.18 1.49 0.00 0.00 0.00 179.25 180.60 1auw h GLU 258 N 0.14 -0.22 -0.32 0.00 4.57 -0.87 0.34 114.58 118.22 1auw h GLU 258 Ca 0.06 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1auw h GLU 258 Cb 0.39 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 1auw h GLU 258 CO 0.01 -0.15 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.10 1auw h ASP 259 N -0.23 -0.51 0.98 1.04 3.32 -1.27 -1.27 116.42 118.48 1auw h ASP 259 Ca 0.09 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1auw h ASP 259 Cb 0.36 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1auw h ASP 259 CO -0.25 -0.19 -0.20 -0.07 -1.72 0.00 0.00 179.24 176.82 1auw h LEU 260 N -0.10 0.00 -0.20 1.55 3.38 -0.93 -0.06 115.31 118.95 1auw h LEU 260 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.92 1auw h LEU 260 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1auw h LEU 260 CO -0.38 0.20 -0.75 0.40 0.09 0.00 0.00 178.44 177.99 1auw h ILE 261 N 0.00 1.29 -0.02 1.22 2.04 0.42 -2.81 117.51 119.65 1auw h ILE 261 Ca -0.00 -1.96 -0.12 0.00 1.00 0.00 0.00 64.86 63.77 1auw h ILE 261 Cb 0.74 1.95 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1auw h ILE 261 CO 0.03 0.62 -0.47 0.40 0.00 0.00 0.00 178.15 178.73 1auw h ILE 262 N 0.53 1.45 0.00 -0.67 2.04 -1.08 -3.20 117.51 116.58 1auw h ILE 262 Ca -0.04 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 1auw h ILE 262 Cb 1.37 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1auw h ILE 262 CO 0.15 0.56 -0.01 1.88 0.00 0.00 0.00 178.15 180.74 1auw h TYR 263 N -0.18 0.00 -0.66 1.37 -1.99 -1.08 -1.64 116.97 112.80 1auw h TYR 263 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1auw h TYR 263 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1auw h TYR 263 CO 0.15 0.01 0.00 -1.13 -0.00 0.00 0.00 178.16 177.18 1auw n SER 264 N -3.20 3.55 -4.77 3.88 3.41 -1.06 -1.38 113.62 114.05 1auw n SER 264 Ca -0.03 -2.01 -0.31 0.00 -0.26 0.00 0.00 58.87 56.27 1auw n SER 264 Cb 0.11 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.70 1auw n SER 264 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1auw s THR 265 N -1.14 3.31 0.29 6.66 -4.23 -0.62 -4.76 115.64 115.17 1auw s THR 265 Ca 0.44 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1auw s THR 265 Cb 0.23 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.25 1auw s THR 265 CO 0.30 -0.56 1.81 0.28 -0.54 0.00 0.00 174.62 175.91 1auw h SER 266 N -1.14 0.64 -0.63 3.99 0.02 -1.92 0.22 113.55 114.74 1auw h SER 266 Ca -0.45 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 1auw h SER 266 Cb 1.24 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1auw h SER 266 CO 0.53 0.71 0.30 -0.33 -1.14 0.00 0.00 176.83 176.90 1auw h GLU 267 N 0.64 0.93 0.00 3.45 3.07 -1.92 -3.18 114.58 117.58 1auw h GLU 267 Ca 0.13 -0.13 -0.27 0.00 -0.50 0.00 0.00 59.36 58.60 1auw h GLU 267 Cb 0.39 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 1auw h GLU 267 CO 0.01 0.73 -1.45 1.19 -1.40 0.00 0.00 179.01 178.10 1auw n PHE 268 N -4.33 0.90 -2.74 4.33 3.01 -1.08 -5.00 117.46 112.54 1auw n PHE 268 Ca 0.06 0.38 -0.21 0.00 1.01 0.00 0.00 57.45 58.69 1auw n PHE 268 Cb 0.14 -1.09 0.01 0.00 -0.01 0.00 0.00 39.48 38.53 1auw n PHE 268 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1auw n GLY 269 N 1.43 -0.51 0.09 1.37 0.00 0.76 -4.91 105.19 103.42 1auw n GLY 269 Ca -0.35 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1auw n GLY 269 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1auw h PHE 270 N -0.65 0.25 -3.60 1.61 0.04 -1.48 -3.44 116.94 109.66 1auw h PHE 270 Ca -0.48 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.04 1auw h PHE 270 Cb 1.34 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.36 1auw h PHE 270 CO 0.58 1.18 -0.20 -0.48 -0.60 0.00 0.00 178.31 178.79 1auw s LEU 271 N -6.82 0.76 0.02 1.54 0.05 -1.18 -0.05 118.68 113.00 1auw s LEU 271 Ca -0.04 -0.56 0.05 0.00 0.05 0.00 0.00 54.13 53.64 1auw s LEU 271 Cb 0.08 1.52 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 1auw s LEU 271 CO 0.85 -0.86 -0.16 -0.89 -0.55 0.00 0.00 176.35 174.73 1auw s THR 272 N -3.87 1.31 0.45 5.48 2.01 0.65 -4.31 115.64 117.37 1auw s THR 272 Ca 0.08 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1auw s THR 272 Cb 0.03 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1auw s THR 272 CO -0.08 0.21 0.75 -1.81 -0.69 0.00 0.00 174.62 173.00 1auw s ASP 273 N -0.81 6.33 0.80 3.53 1.01 -1.26 0.00 116.67 126.27 1auw s ASP 273 Ca 0.05 0.92 -0.10 0.00 0.71 0.00 0.00 52.55 54.13 1auw s ASP 273 Cb -0.07 -2.24 0.07 0.00 1.01 0.00 0.00 42.92 41.69 1auw s ASP 273 CO 0.01 -0.50 1.10 -0.55 0.21 0.00 0.00 175.17 175.43 1auw s SER 274 N -3.86 4.19 0.47 0.27 0.15 -1.26 -4.82 113.70 108.84 1auw s SER 274 Ca 0.47 1.88 0.23 0.00 0.70 0.00 0.00 55.95 59.23 1auw s SER 274 Cb -0.10 -2.52 1.15 0.00 -1.71 0.00 0.00 66.02 62.83 1auw s SER 274 CO 0.41 -2.24 1.96 0.44 1.20 0.00 0.00 173.24 175.01 1auw h ASP 275 N -1.27 0.00 1.02 5.45 5.19 -1.94 -1.85 116.42 123.01 1auw h ASP 275 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1auw h ASP 275 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1auw h ASP 275 CO 0.50 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.82 1auw h ALA 276 N 1.79 1.00 0.00 3.45 0.00 -2.00 -3.21 119.26 120.29 1auw h ALA 276 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1auw h ALA 276 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1auw h ALA 276 CO 0.03 0.00 -0.13 1.19 0.00 0.00 0.00 179.25 180.34 1auw n PHE 277 N -2.62 0.00 -4.11 0.00 3.72 -0.71 -5.05 117.46 108.69 1auw n PHE 277 Ca 0.02 -1.01 -0.16 0.00 -0.05 0.00 0.00 57.45 56.26 1auw n PHE 277 Cb 0.30 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1auw n PHE 277 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1auw s SER 278 N -2.80 1.12 -0.02 4.37 1.04 -1.13 -3.31 113.70 112.97 1auw s SER 278 Ca 0.31 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1auw s SER 278 Cb 0.28 0.67 0.02 0.00 0.10 0.00 0.00 66.02 67.09 1auw s SER 278 CO 0.01 -1.31 0.00 -0.89 0.98 0.00 0.00 173.24 172.03 1auw s THR 279 N -2.95 0.11 0.00 2.02 2.01 -0.93 -4.91 115.64 110.99 1auw s THR 279 Ca 0.32 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1auw s THR 279 Cb -0.00 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1auw s THR 279 CO 0.22 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1auw n GLY 280 N 3.90 4.48 3.10 4.40 0.00 -1.26 0.37 105.19 120.18 1auw n GLY 280 Ca -0.24 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.49 1auw n GLY 280 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1auw s SER 281 N -0.36 1.42 0.10 1.61 0.01 -1.23 -4.95 113.70 110.30 1auw s SER 281 Ca 0.00 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 1auw s SER 281 Cb 0.00 -0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 1auw s SER 281 CO 0.00 0.02 1.45 0.28 0.41 0.00 0.00 173.24 175.40 1auw h SER 282 N 5.11 0.73 1.68 2.44 0.02 -1.97 -3.03 113.55 118.53 1auw h SER 282 Ca -0.36 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1auw h SER 282 Cb 1.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1auw h SER 282 CO 0.45 1.01 -0.02 -0.07 -1.14 0.00 0.00 176.83 177.05 1auw h LEU 283 N 0.45 0.00 -6.45 5.07 4.07 -2.02 -3.37 115.31 113.06 1auw h LEU 283 Ca 0.06 -0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.42 1auw h LEU 283 Cb 0.77 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.12 1auw h LEU 283 CO 0.06 0.00 -0.89 0.23 -1.08 0.00 0.00 178.44 176.76 1auw n MET 284 N -2.61 0.73 -0.21 1.13 2.81 -1.19 -4.99 117.12 112.78 1auw n MET 284 Ca 0.05 -3.53 0.12 0.00 -1.81 0.00 0.00 57.70 52.53 1auw n MET 284 Cb 0.47 -1.77 0.42 0.00 -0.71 0.00 0.00 33.22 31.64 1auw n MET 284 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1auw h PRO 285 N 5.27 0.58 -0.38 0.03 0.11 -1.71 -2.08 132.00 133.82 1auw h PRO 285 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1auw h PRO 285 Cb 0.86 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1auw h PRO 285 CO 0.48 0.38 0.00 1.04 -0.21 0.00 0.00 178.00 179.69 1auw n GLN 286 N -4.52 1.59 -3.78 1.05 1.13 -1.26 -4.70 117.38 106.89 1auw n GLN 286 Ca 0.15 -0.71 -0.37 0.00 -1.94 0.00 0.00 57.00 54.13 1auw n GLN 286 Cb 0.45 -1.30 -0.13 0.00 0.11 0.00 0.00 30.24 29.38 1auw n GLN 286 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1auw s LYS 287 N -1.67 3.06 -0.14 -1.09 2.20 -0.78 -5.05 119.74 116.27 1auw s LYS 287 Ca 0.13 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1auw s LYS 287 Cb 0.08 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1auw s LYS 287 CO 0.07 -0.44 -0.14 0.15 -0.36 0.00 0.00 175.35 174.63 1auw s LYS 288 N 1.48 2.25 -0.10 4.03 1.02 -1.26 -3.52 119.74 123.64 1auw s LYS 288 Ca 0.02 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.26 1auw s LYS 288 Cb -0.17 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1auw s LYS 288 CO 0.02 -0.20 0.60 -0.80 -0.92 0.00 0.00 175.35 174.05 1auw s ASN 289 N 1.40 6.84 -1.36 2.83 0.01 0.16 -4.87 114.94 119.94 1auw s ASN 289 Ca 0.03 1.01 -0.09 0.00 -0.71 0.00 0.00 52.86 53.10 1auw s ASN 289 Cb -0.13 -2.36 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 1auw s ASN 289 CO -0.09 -0.08 2.63 -0.81 -1.51 0.00 0.00 177.10 177.24 1auw n PRO 290 N 3.84 3.08 -0.14 -0.60 -0.04 -1.26 -2.19 135.00 137.69 1auw n PRO 290 Ca -0.04 -1.96 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 1auw n PRO 290 Cb 0.51 -2.70 0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1auw n PRO 290 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1auw h ASP 291 N 5.54 -0.02 -0.20 3.54 5.19 -1.92 -0.85 116.42 127.70 1auw h ASP 291 Ca 0.73 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 57.26 1auw h ASP 291 Cb 0.26 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.85 1auw h ASP 291 CO 1.68 0.02 -0.04 0.77 -3.12 0.00 0.00 179.24 178.55 1auw h SER 292 N 0.21 -0.17 0.47 6.45 4.64 -1.83 -0.06 113.55 123.26 1auw h SER 292 Ca 0.22 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 1auw h SER 292 Cb 0.29 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1auw h SER 292 CO -0.30 -0.06 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.36 1auw h LEU 293 N 0.01 0.00 0.06 5.97 3.38 -1.67 -1.66 115.31 121.40 1auw h LEU 293 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 1auw h LEU 293 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1auw h LEU 293 CO -0.20 0.17 -1.27 -0.33 0.09 0.00 0.00 178.44 176.90 1auw h GLU 294 N 0.00 0.12 -0.34 1.13 5.08 -0.46 -2.59 114.58 117.53 1auw h GLU 294 Ca -0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1auw h GLU 294 Cb 0.45 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1auw h GLU 294 CO 0.02 1.02 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.74 1auw h LEU 295 N 0.03 0.80 -0.23 1.33 3.38 -0.67 -1.97 115.31 117.98 1auw h LEU 295 Ca -0.13 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1auw h LEU 295 Cb 1.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1auw h LEU 295 CO 0.15 1.06 0.12 0.40 0.09 0.00 0.00 178.44 180.26 1auw h ILE 296 N 0.54 1.13 -0.75 1.22 2.04 -1.38 -2.69 117.51 117.61 1auw h ILE 296 Ca 0.07 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1auw h ILE 296 Cb 0.80 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1auw h ILE 296 CO 0.06 0.13 0.46 -0.09 0.00 0.00 0.00 178.15 178.71 1auw h ARG 297 N 0.25 1.01 0.00 2.37 2.43 -1.42 -2.81 114.38 116.21 1auw h ARG 297 Ca 0.08 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1auw h ARG 297 Cb 0.10 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1auw h ARG 297 CO -0.01 0.70 -0.02 0.66 -1.51 0.00 0.00 179.97 179.79 1auw h SER 298 N 1.03 0.00 0.97 -3.80 4.64 -1.04 -3.10 113.55 112.24 1auw h SER 298 Ca 0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1auw h SER 298 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1auw h SER 298 CO -0.05 0.02 -0.40 0.11 -0.87 0.00 0.00 176.83 175.64 1auw h LYS 299 N 0.00 0.00 -0.94 4.77 1.79 -1.21 -3.22 116.57 117.75 1auw h LYS 299 Ca -0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1auw h LYS 299 Cb 0.57 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.13 1auw h LYS 299 CO 0.00 0.40 0.56 0.00 -1.08 0.00 0.00 179.45 179.33 1auw h ALA 300 N 1.60 1.43 -0.16 3.86 0.00 -1.66 0.23 119.26 124.56 1auw h ALA 300 Ca -0.00 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1auw h ALA 300 Cb 0.99 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1auw h ALA 300 CO 0.05 0.09 -0.77 0.78 0.00 0.00 0.00 179.25 179.41 1auw h GLY 301 N 0.85 0.89 0.89 0.00 0.00 -1.77 -0.74 103.07 103.18 1auw h GLY 301 Ca 0.49 -1.24 0.02 0.00 0.00 0.00 0.00 47.33 46.59 1auw h GLY 301 CO -0.30 1.11 0.11 -0.09 0.00 0.00 0.00 176.54 177.36 1auw h ARG 302 N 0.55 0.23 -0.44 4.80 2.43 -1.17 0.11 114.38 120.88 1auw h ARG 302 Ca -0.05 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1auw h ARG 302 Cb 1.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1auw h ARG 302 CO 0.16 0.15 -0.11 0.28 -1.51 0.00 0.00 179.97 178.94 1auw h VAL 303 N 0.23 1.27 -0.98 0.20 2.07 -0.65 -2.97 116.25 115.43 1auw h VAL 303 Ca 0.09 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1auw h VAL 303 Cb 0.03 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1auw h VAL 303 CO -0.07 0.42 0.65 0.15 0.02 0.00 0.00 177.57 178.74 1auw h PHE 304 N 0.69 1.22 -0.37 1.57 3.57 -0.81 -2.10 116.94 120.70 1auw h PHE 304 Ca 0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1auw h PHE 304 Cb 0.65 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1auw h PHE 304 CO 0.05 0.75 0.22 0.78 -2.23 0.00 0.00 178.31 177.88 1auw h GLY 305 N 1.30 0.53 1.59 2.40 0.00 -0.63 -1.13 103.07 107.13 1auw h GLY 305 Ca 0.37 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 1auw h GLY 305 CO -0.09 0.21 -0.57 3.21 0.00 0.00 0.00 176.54 179.30 1auw h ARG 306 N 0.51 0.43 -0.08 4.80 2.47 -1.32 -1.44 114.38 119.75 1auw h ARG 306 Ca 0.14 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1auw h ARG 306 Cb -0.02 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1auw h ARG 306 CO -0.03 0.88 0.00 1.25 0.56 0.00 0.00 179.97 182.63 1auw h LEU 307 N 0.33 0.13 -1.03 3.04 6.46 -1.08 -2.58 115.31 120.58 1auw h LEU 307 Ca 0.00 -0.31 -0.04 0.00 -0.12 0.00 0.00 57.88 57.42 1auw h LEU 307 Cb 1.09 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1auw h LEU 307 CO 0.10 0.41 0.26 0.00 -0.62 0.00 0.00 178.44 178.59 1auw h ALA 308 N 0.73 1.23 0.80 1.25 0.00 -1.17 -2.36 119.26 119.74 1auw h ALA 308 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1auw h ALA 308 Cb 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1auw h ALA 308 CO 0.00 0.56 -0.39 0.66 0.00 0.00 0.00 179.25 180.09 1auw h SER 309 N 0.94 -0.91 -0.98 0.00 4.64 -1.18 -2.15 113.55 113.91 1auw h SER 309 Ca 0.22 0.02 0.17 0.00 -0.47 0.00 0.00 61.79 61.73 1auw h SER 309 Cb 0.18 0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 1auw h SER 309 CO -0.02 -0.58 0.61 0.40 -0.87 0.00 0.00 176.83 176.37 1auw h ILE 310 N -1.21 0.78 -0.61 0.95 1.08 -1.41 0.13 117.51 117.23 1auw h ILE 310 Ca -0.11 -0.27 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1auw h ILE 310 Cb 0.84 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1auw h ILE 310 CO 0.18 0.14 0.14 -0.07 -0.69 0.00 0.00 178.15 177.85 1auw h LEU 311 N 0.78 0.93 -1.12 1.44 3.38 -1.35 -1.20 115.31 118.16 1auw h LEU 311 Ca 0.53 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 1auw h LEU 311 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1auw h LEU 311 CO -0.30 0.93 -0.38 -0.03 0.09 0.00 0.00 178.44 178.75 1auw h MET 312 N 0.89 0.10 -0.14 1.13 4.05 -0.18 -1.87 114.93 118.91 1auw h MET 312 Ca 0.19 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.39 1auw h MET 312 Cb 0.37 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1auw h MET 312 CO 0.00 0.47 -0.65 0.28 0.23 0.00 0.00 176.91 177.24 1auw h VAL 313 N 0.09 1.33 0.00 -5.77 2.07 -0.40 -3.28 116.25 110.29 1auw h VAL 313 Ca 0.01 -1.95 -0.18 0.00 0.82 0.00 0.00 66.70 65.40 1auw h VAL 313 Cb 0.72 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1auw h VAL 313 CO 0.05 0.60 -0.85 -0.07 0.02 0.00 0.00 177.57 177.33 1auw h LEU 314 N 0.40 0.00 -9.31 2.57 3.38 -1.00 -3.44 115.31 107.90 1auw h LEU 314 Ca -0.02 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.35 1auw h LEU 314 Cb 1.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.00 1auw h LEU 314 CO 0.12 0.85 1.08 1.17 0.09 0.00 0.00 178.44 181.75 1auw n LYS 315 N -3.34 2.24 -1.12 1.13 0.00 -0.72 -2.48 118.16 113.87 1auw n LYS 315 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 58.31 59.09 1auw n LYS 315 Cb 0.87 -2.67 -0.02 0.00 0.00 0.00 0.00 35.03 33.21 1auw n LYS 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1auw n GLY 316 N 4.32 0.67 3.73 3.14 0.00 -1.26 -5.01 105.19 110.78 1auw n GLY 316 Ca 0.22 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1auw n GLY 316 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1auw s LEU 317 N -0.97 4.53 0.64 0.99 1.43 -1.03 -5.04 118.68 119.23 1auw s LEU 317 Ca 0.00 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1auw s LEU 317 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1auw s LEU 317 CO 0.00 -0.05 0.98 -2.16 0.23 0.00 0.00 176.35 175.36 1auw s PRO 318 N -0.28 2.83 0.50 1.29 0.04 -1.26 -5.04 135.00 133.08 1auw s PRO 318 Ca 0.46 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 1auw s PRO 318 Cb -0.25 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 1auw s PRO 318 CO 0.31 -0.87 1.15 -1.12 0.04 0.00 0.00 177.00 176.51 1auw s SER 319 N -4.34 5.92 0.01 6.66 0.01 -1.26 -4.61 113.70 116.09 1auw s SER 319 Ca 0.56 2.26 -0.02 0.00 1.31 0.00 0.00 55.95 60.06 1auw s SER 319 Cb -0.11 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1auw s SER 319 CO 0.47 -1.09 -0.04 0.35 0.41 0.00 0.00 173.24 173.35 1auw n THR 320 N -0.91 0.56 -3.88 1.44 -2.24 -1.26 -5.02 114.28 102.97 1auw n THR 320 Ca 0.10 0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.73 1auw n THR 320 Cb 0.49 -1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1auw n THR 320 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1auw s TYR 321 N -1.53 3.59 -0.02 4.78 5.04 -1.26 -4.55 117.35 123.39 1auw s TYR 321 Ca -0.03 0.52 -0.06 0.00 -2.44 0.00 0.00 57.07 55.05 1auw s TYR 321 Cb 0.00 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1auw s TYR 321 CO 0.05 0.72 0.14 -0.80 -1.34 0.00 0.00 175.55 174.32 1auw s ASN 322 N -0.97 -0.05 0.62 4.32 0.01 -1.26 -5.03 114.94 112.58 1auw s ASN 322 Ca 0.15 0.01 0.30 0.00 -0.71 0.00 0.00 52.86 52.61 1auw s ASN 322 Cb -0.12 0.26 1.65 0.00 0.41 0.00 0.00 41.25 43.45 1auw s ASN 322 CO 0.04 -0.24 2.00 0.11 -1.51 0.00 0.00 177.10 177.50 1auw h LYS 323 N 4.97 0.00 -0.74 -0.60 1.79 -2.02 -1.61 116.57 118.35 1auw h LYS 323 Ca -0.28 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.36 1auw h LYS 323 Cb 1.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1auw h LYS 323 CO 0.41 0.00 0.51 -0.44 -1.08 0.00 0.00 179.45 178.84 1auw h ASP 324 N 0.00 0.27 0.09 0.86 5.19 -1.96 -0.31 116.42 120.57 1auw h ASP 324 Ca 0.09 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1auw h ASP 324 Cb 0.71 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1auw h ASP 324 CO -0.00 0.13 0.00 -0.07 -3.12 0.00 0.00 179.24 176.18 1auw h LEU 325 N 0.29 0.00 -1.19 1.55 4.07 -1.65 -2.84 115.31 115.54 1auw h LEU 325 Ca 0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1auw h LEU 325 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1auw h LEU 325 CO -0.09 0.00 0.00 1.67 -1.08 0.00 0.00 178.44 178.94 1auw n GLN 326 N -2.84 0.17 0.00 1.13 7.27 -0.13 -2.79 117.38 120.19 1auw n GLN 326 Ca -0.02 0.56 0.11 0.00 0.07 0.00 0.00 57.00 57.72 1auw n GLN 326 Cb 0.08 -1.94 0.59 0.00 2.41 0.00 0.00 30.24 31.38 1auw n GLN 326 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1auw n GLU 327 N -2.29 0.39 -0.04 3.69 -0.58 -1.07 -4.02 120.64 116.72 1auw n GLU 327 Ca -0.00 0.06 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 1auw n GLU 327 Cb 0.11 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1auw n GLU 327 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1auw h ASP 328 N 0.00 0.77 0.16 1.62 2.03 -1.80 -3.33 116.42 115.87 1auw h ASP 328 Ca 0.00 -0.39 0.01 0.00 -0.73 0.00 0.00 57.03 55.91 1auw h ASP 328 Cb 0.18 -0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 38.43 1auw h ASP 328 CO 0.00 1.14 -0.44 0.11 -1.03 0.00 0.00 179.24 179.02 1auw h LYS 329 N 0.55 -0.65 -0.92 4.15 1.57 -1.86 -1.27 116.57 118.15 1auw h LYS 329 Ca 0.02 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1auw h LYS 329 Cb 1.07 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 1auw h LYS 329 CO 0.10 -0.43 0.56 0.93 -0.57 0.00 0.00 179.45 180.05 1auw h GLU 330 N -0.67 0.92 -0.17 3.15 5.08 -1.86 0.47 114.58 121.50 1auw h GLU 330 Ca -0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1auw h GLU 330 Cb 0.65 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1auw h GLU 330 CO -0.21 0.61 0.04 0.00 -1.00 0.00 0.00 179.01 178.45 1auw h ALA 331 N 1.47 0.17 -0.26 3.43 0.00 -1.59 0.18 119.26 122.67 1auw h ALA 331 Ca 0.43 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 1auw h ALA 331 Cb 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1auw h ALA 331 CO -0.23 -0.40 -0.14 0.28 0.00 0.00 0.00 179.25 178.76 1auw h VAL 332 N 0.11 1.30 -0.62 0.00 2.07 -0.58 -2.78 116.25 115.75 1auw h VAL 332 Ca 0.07 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1auw h VAL 332 Cb 0.06 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1auw h VAL 332 CO -0.09 0.39 0.41 -0.26 0.02 0.00 0.00 177.57 178.03 1auw h PHE 333 N 0.29 0.79 -0.68 1.57 0.04 -0.66 -0.58 116.94 117.72 1auw h PHE 333 Ca 0.06 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 1auw h PHE 333 Cb 0.66 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1auw h PHE 333 CO 0.06 0.51 0.23 0.22 -0.60 0.00 0.00 178.31 178.74 1auw h ASP 334 N 0.85 0.96 0.25 2.17 3.58 -0.98 -1.61 116.42 121.64 1auw h ASP 334 Ca 0.23 -0.19 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 1auw h ASP 334 Cb -0.08 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.71 1auw h ASP 334 CO -0.05 0.90 -0.75 0.58 -2.88 0.00 0.00 179.24 177.04 1auw h VAL 335 N 0.97 1.38 -0.40 2.25 2.07 -1.26 -1.02 116.25 120.24 1auw h VAL 335 Ca 0.22 -2.16 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 1auw h VAL 335 Cb 0.26 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1auw h VAL 335 CO -0.01 0.65 -0.05 0.58 0.02 0.00 0.00 177.57 178.76 1auw h VAL 336 N 0.28 1.27 0.06 2.57 2.07 -0.96 -0.55 116.25 120.99 1auw h VAL 336 Ca -0.04 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1auw h VAL 336 Cb 1.33 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1auw h VAL 336 CO 0.13 0.37 -0.03 0.44 0.02 0.00 0.00 177.57 178.50 1auw h ASP 337 N 0.55 -0.06 -0.27 0.57 3.32 -1.27 -1.89 116.42 117.36 1auw h ASP 337 Ca 0.11 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1auw h ASP 337 Cb 0.55 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1auw h ASP 337 CO 0.03 0.16 0.04 0.74 -1.72 0.00 0.00 179.24 178.49 1auw h THR 338 N -0.29 0.86 -0.43 0.35 2.02 -1.13 -2.18 112.91 112.11 1auw h THR 338 Ca -0.01 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1auw h THR 338 Cb 0.25 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1auw h THR 338 CO 0.01 0.03 0.16 -0.07 0.37 0.00 0.00 175.52 176.02 1auw h LEU 339 N 0.14 0.61 -0.69 2.58 3.38 -1.10 -0.99 115.31 119.23 1auw h LEU 339 Ca 0.13 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 339 Cb 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1auw h LEU 339 CO -0.18 0.63 0.39 0.74 0.09 0.00 0.00 178.44 180.11 1auw h THR 340 N 0.56 0.97 0.28 0.22 2.02 -1.09 -1.11 112.91 114.76 1auw h THR 340 Ca 0.14 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1auw h THR 340 Cb 0.22 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1auw h THR 340 CO -0.01 0.13 -0.14 0.00 0.37 0.00 0.00 175.52 175.87 1auw h ALA 341 N 1.36 -0.38 -0.74 6.16 0.00 -1.25 -3.20 119.26 121.21 1auw h ALA 341 Ca 0.31 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1auw h ALA 341 Cb 0.20 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1auw h ALA 341 CO -0.19 -0.46 0.25 0.28 0.00 0.00 0.00 179.25 179.13 1auw h VAL 342 N -0.89 0.61 -0.67 0.00 2.07 -1.08 -1.47 116.25 114.82 1auw h VAL 342 Ca -0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1auw h VAL 342 Cb 0.51 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1auw h VAL 342 CO 0.06 0.07 0.32 -0.07 0.02 0.00 0.00 177.57 177.98 1auw h LEU 343 N 0.38 0.85 -0.25 2.57 3.38 -1.29 0.79 115.31 121.73 1auw h LEU 343 Ca 0.41 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 1auw h LEU 343 Cb 0.64 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1auw h LEU 343 CO -0.43 0.72 -0.51 1.56 0.09 0.00 0.00 178.44 179.87 1auw h GLN 344 N 0.94 0.79 -0.56 1.13 4.20 -1.29 -2.34 115.11 117.98 1auw h GLN 344 Ca 0.23 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 1auw h GLN 344 Cb 0.09 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1auw h GLN 344 CO -0.03 1.14 0.18 0.28 -0.67 0.00 0.00 178.83 179.73 1auw h VAL 345 N 0.54 1.24 -0.35 -0.54 2.07 -0.95 -1.19 116.25 117.08 1auw h VAL 345 Ca 0.01 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1auw h VAL 345 Cb 1.12 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1auw h VAL 345 CO 0.11 0.30 0.19 0.00 0.02 0.00 0.00 177.57 178.19 1auw h ALA 346 N 1.04 0.43 -0.87 1.67 0.00 -0.80 -0.77 119.26 119.96 1auw h ALA 346 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1auw h ALA 346 Cb 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1auw h ALA 346 CO -0.01 -0.17 0.51 1.15 0.00 0.00 0.00 179.25 180.73 1auw h THR 347 N 0.39 1.25 -0.01 0.00 2.02 -1.14 -1.79 112.91 113.63 1auw h THR 347 Ca 0.14 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1auw h THR 347 Cb 0.03 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1auw h THR 347 CO -0.08 0.26 0.01 1.23 0.37 0.00 0.00 175.52 177.31 1auw h GLY 348 N 1.20 0.01 0.56 2.16 0.00 -0.53 -1.44 103.07 105.04 1auw h GLY 348 Ca 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.67 1auw h GLY 348 CO -0.05 0.01 -0.10 -2.08 0.00 0.00 0.00 176.54 174.31 1auw h VAL 349 N 0.00 0.70 -0.78 4.60 2.07 -0.75 -0.94 116.25 121.15 1auw h VAL 349 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1auw h VAL 349 Cb 0.01 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1auw h VAL 349 CO -0.00 0.00 0.32 0.40 0.02 0.00 0.00 177.57 178.31 1auw h ILE 350 N -0.10 1.26 -0.05 4.57 1.08 -1.20 -1.67 117.51 121.39 1auw h ILE 350 Ca 0.09 -0.79 -0.14 0.00 -0.39 0.00 0.00 64.86 63.63 1auw h ILE 350 Cb 0.23 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1auw h ILE 350 CO -0.21 0.32 -0.58 0.77 -0.69 0.00 0.00 178.15 177.76 1auw h SER 351 N 1.12 0.19 -0.02 1.72 4.64 -0.76 -3.31 113.55 117.13 1auw h SER 351 Ca 0.26 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1auw h SER 351 Cb 0.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1auw h SER 351 CO -0.02 0.73 -0.29 0.35 -0.87 0.00 0.00 176.83 176.73 1auw n THR 352 N -3.88 0.00 -2.07 2.95 -2.24 -0.40 -5.00 114.28 103.64 1auw n THR 352 Ca -0.02 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 1auw n THR 352 Cb 0.60 1.27 0.01 0.00 -2.10 0.00 0.00 70.33 70.11 1auw n THR 352 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1auw s LEU 353 N -2.06 3.91 -0.21 3.22 0.05 -0.64 -4.26 118.68 118.69 1auw s LEU 353 Ca 0.17 2.47 -0.10 0.00 0.05 0.00 0.00 54.13 56.72 1auw s LEU 353 Cb 0.15 -4.30 -0.05 0.00 -2.05 0.00 0.00 46.19 39.94 1auw s LEU 353 CO 0.41 -1.23 0.14 -1.10 -0.55 0.00 0.00 176.35 174.02 1auw s GLN 354 N -2.86 4.17 -0.01 1.48 1.11 0.10 -4.94 119.66 118.71 1auw s GLN 354 Ca 0.68 -0.22 -0.05 0.00 0.01 0.00 0.00 55.36 55.78 1auw s GLN 354 Cb -0.33 -3.44 -0.04 0.00 -1.01 0.00 0.00 33.01 28.19 1auw s GLN 354 CO 0.39 0.26 0.22 -1.50 0.01 0.00 0.00 175.29 174.67 1auw s ILE 355 N 0.47 5.38 -0.65 1.08 1.10 -1.26 -0.25 121.20 127.06 1auw s ILE 355 Ca 0.08 0.02 -0.01 0.00 -0.51 0.00 0.00 60.65 60.23 1auw s ILE 355 Cb -0.11 -3.54 0.17 0.00 0.15 0.00 0.00 42.46 39.12 1auw s ILE 355 CO -0.01 0.37 0.47 -0.55 -2.11 0.00 0.00 174.94 173.11 1auw s SER 356 N -1.75 5.19 0.39 4.50 0.15 0.93 -4.93 113.70 118.18 1auw s SER 356 Ca 0.26 -3.06 0.11 0.00 0.70 0.00 0.00 55.95 53.97 1auw s SER 356 Cb -0.13 -1.82 0.92 0.00 -1.71 0.00 0.00 66.02 63.28 1auw s SER 356 CO 0.16 -0.31 1.92 0.50 1.20 0.00 0.00 173.24 176.72 1auw h LYS 357 N 6.72 0.55 -0.35 5.44 3.64 -1.95 -1.76 116.57 128.86 1auw h LYS 357 Ca 0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1auw h LYS 357 Cb 0.91 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1auw h LYS 357 CO 0.73 0.36 0.05 0.93 -2.27 0.00 0.00 179.45 179.25 1auw h GLU 358 N 0.56 0.59 0.00 1.90 5.08 -1.96 -1.35 114.58 119.41 1auw h GLU 358 Ca 0.37 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1auw h GLU 358 Cb 0.64 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1auw h GLU 358 CO -0.13 0.67 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.32 1auw h ASN 359 N 0.42 0.00 -0.04 1.42 2.35 -1.68 -1.53 115.58 116.52 1auw h ASN 359 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1auw h ASN 359 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1auw h ASN 359 CO 0.01 0.32 -0.09 0.24 -1.65 0.00 0.00 177.43 176.26 1auw h MET 360 N 0.00 0.13 -0.72 0.81 2.86 -1.01 -2.82 114.93 114.18 1auw h MET 360 Ca -0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1auw h MET 360 Cb 0.82 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1auw h MET 360 CO 0.04 0.67 0.24 0.93 1.06 0.00 0.00 176.91 179.86 1auw h GLU 361 N -0.41 1.10 -0.07 1.72 4.39 -1.20 -1.83 114.58 118.29 1auw h GLU 361 Ca 0.00 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.50 1auw h GLU 361 Cb 0.67 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1auw h GLU 361 CO 0.02 0.93 0.08 0.87 -1.16 0.00 0.00 179.01 179.75 1auw h LYS 362 N 1.04 0.00 0.00 2.33 1.57 -1.30 -0.01 116.57 120.20 1auw h LYS 362 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1auw h LYS 362 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1auw h LYS 362 CO -0.01 0.00 -0.35 0.00 -0.57 0.00 0.00 179.45 178.52 1auw h ALA 363 N 1.90 0.95 -2.47 3.86 0.00 -1.06 -3.44 119.26 119.00 1auw h ALA 363 Ca 0.03 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 1auw h ALA 363 Cb 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1auw h ALA 363 CO -0.00 0.44 0.95 -0.51 0.00 0.00 0.00 179.25 180.13 1auw s LEU 364 N -6.88 4.36 0.02 0.00 1.02 -0.02 -4.87 118.68 112.31 1auw s LEU 364 Ca 0.01 2.46 0.06 0.00 0.02 0.00 0.00 54.13 56.69 1auw s LEU 364 Cb 0.10 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 1auw s LEU 364 CO 0.68 -0.85 -0.17 -0.89 0.02 0.00 0.00 176.35 175.14 1auw s THR 365 N 2.31 2.88 0.42 5.49 2.01 -1.26 -5.03 115.64 122.46 1auw s THR 365 Ca 0.72 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1auw s THR 365 Cb -0.39 -2.20 0.26 0.00 0.01 0.00 0.00 72.50 70.18 1auw s THR 365 CO 0.31 0.38 2.07 -0.65 -0.69 0.00 0.00 174.62 176.05 1auw h PRO 366 N 4.67 0.47 -0.80 4.92 0.11 -2.00 -2.06 132.00 137.31 1auw h PRO 366 Ca -0.47 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.72 1auw h PRO 366 Cb 1.15 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1auw h PRO 366 CO 0.49 0.32 0.52 1.49 -0.21 0.00 0.00 178.00 180.61 1auw h GLU 367 N 0.49 0.67 0.00 1.05 4.57 -1.99 -0.63 114.58 118.73 1auw h GLU 367 Ca 0.13 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1auw h GLU 367 Cb -0.05 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1auw h GLU 367 CO -0.03 0.45 0.00 -1.33 -1.18 0.00 0.00 179.01 176.92 1auw n MET 368 N -4.51 0.01 0.00 1.92 2.81 -0.77 -1.27 117.12 115.30 1auw n MET 368 Ca 0.14 0.45 0.13 0.00 -1.81 0.00 0.00 57.70 56.60 1auw n MET 368 Cb 0.37 -1.54 0.28 0.00 -0.71 0.00 0.00 33.22 31.62 1auw n MET 368 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1auw n LEU 369 N -1.57 1.43 -0.20 4.03 4.77 -0.24 -4.35 117.00 120.86 1auw n LEU 369 Ca 0.01 -0.45 0.01 0.00 -0.03 0.00 0.00 56.01 55.54 1auw n LEU 369 Cb 0.05 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1auw n LEU 369 CO 0.05 0.26 0.96 0.00 -1.33 0.00 0.00 177.39 177.33 1auw h ALA 370 N 3.86 0.77 -0.66 -1.18 0.00 -1.32 -0.14 119.26 120.59 1auw h ALA 370 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1auw h ALA 370 Cb 0.59 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1auw h ALA 370 CO 0.00 -0.24 0.40 0.00 0.00 0.00 0.00 179.25 179.41 1auw h THR 371 N 0.35 1.18 0.00 0.00 1.03 -1.81 -0.39 112.91 113.27 1auw h THR 371 Ca 0.32 -0.40 -0.08 0.00 -0.01 0.00 0.00 66.41 66.24 1auw h THR 371 Cb 0.43 0.25 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 1auw h THR 371 CO -0.35 0.19 -0.36 0.44 -0.01 0.00 0.00 175.52 175.43 1auw h ASP 372 N 0.91 0.00 -0.48 0.00 3.32 -1.34 -1.21 116.42 117.62 1auw h ASP 372 Ca 0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1auw h ASP 372 Cb -0.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1auw h ASP 372 CO -0.05 0.36 0.21 0.25 -1.72 0.00 0.00 179.24 178.29 1auw h LEU 373 N 0.00 0.65 -0.36 1.55 5.85 0.12 0.76 115.31 123.88 1auw h LEU 373 Ca -0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1auw h LEU 373 Cb 0.67 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1auw h LEU 373 CO 0.05 0.62 0.04 0.00 -0.34 0.00 0.00 178.44 178.81 1auw h ALA 374 N 1.05 0.48 -0.98 1.25 0.00 -0.83 -2.77 119.26 117.46 1auw h ALA 374 Ca 0.16 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1auw h ALA 374 Cb 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1auw h ALA 374 CO -0.02 0.20 0.62 -0.07 0.00 0.00 0.00 179.25 179.99 1auw h LEU 375 N 0.44 0.94 -0.44 0.00 4.07 -0.79 -1.20 115.31 118.33 1auw h LEU 375 Ca 0.11 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.17 1auw h LEU 375 Cb 0.38 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1auw h LEU 375 CO 0.01 0.53 0.11 0.22 -1.08 0.00 0.00 178.44 178.24 1auw h TYR 376 N 1.03 0.19 -0.20 1.13 5.03 -0.57 -1.87 116.97 121.71 1auw h TYR 376 Ca 0.47 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.72 1auw h TYR 376 Cb 0.37 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1auw h TYR 376 CO -0.01 0.04 -0.23 -0.07 -1.32 0.00 0.00 178.16 176.57 1auw h LEU 377 N 0.26 0.36 -1.04 2.82 3.38 -1.15 -2.78 115.31 117.17 1auw h LEU 377 Ca 0.21 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1auw h LEU 377 Cb 0.25 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1auw h LEU 377 CO -0.26 0.60 0.14 0.58 0.09 0.00 0.00 178.44 179.60 1auw h VAL 378 N 0.33 1.22 0.00 1.22 2.07 -0.59 -0.72 116.25 119.78 1auw h VAL 378 Ca 0.05 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1auw h VAL 378 Cb 0.59 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1auw h VAL 378 CO 0.04 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.47 1auw n ARG 379 N -4.28 0.19 0.04 1.57 1.74 -0.83 -2.02 116.66 113.06 1auw n ARG 379 Ca 0.04 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 1auw n ARG 379 Cb 0.22 -1.79 0.15 0.00 -1.02 0.00 0.00 32.46 30.02 1auw n ARG 379 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1auw n LYS 380 N -2.13 0.24 0.00 5.56 4.76 -0.71 -4.94 118.16 120.93 1auw n LYS 380 Ca 0.04 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1auw n LYS 380 Cb 0.30 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1auw n LYS 380 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1auw n GLY 381 N 1.37 0.83 3.71 0.72 0.00 -0.86 -5.09 105.19 105.87 1auw n GLY 381 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1auw n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1auw s VAL 382 N -2.00 4.25 0.57 1.61 1.01 -0.36 -4.98 120.40 120.50 1auw s VAL 382 Ca 0.00 1.61 -0.20 0.00 0.00 0.00 0.00 61.98 63.39 1auw s VAL 382 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1auw s VAL 382 CO 0.00 0.12 1.28 -2.16 0.00 0.00 0.00 175.10 174.34 1auw s PRO 383 N 1.10 3.02 0.21 2.72 0.04 -1.26 -3.83 135.00 137.00 1auw s PRO 383 Ca 0.57 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.44 1auw s PRO 383 Cb -0.27 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.34 1auw s PRO 383 CO 0.29 -1.22 1.56 0.35 0.04 0.00 0.00 177.00 178.01 1auw h PHE 384 N 1.15 -1.21 -0.41 0.56 3.57 -1.95 -0.52 116.94 118.13 1auw h PHE 384 Ca -0.51 0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.16 1auw h PHE 384 Cb 1.30 0.66 -0.05 0.00 2.79 0.00 0.00 35.95 40.65 1auw h PHE 384 CO 0.46 -0.40 0.11 0.00 -2.23 0.00 0.00 178.31 176.24 1auw h ARG 385 N -0.04 0.24 -0.45 1.11 3.08 -1.99 0.15 114.38 116.48 1auw h ARG 385 Ca 0.29 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1auw h ARG 385 Cb 0.56 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1auw h ARG 385 CO -0.92 0.16 0.17 1.96 -1.07 0.00 0.00 179.97 180.27 1auw h GLN 386 N 0.25 0.68 -0.45 0.04 7.50 -1.71 -1.68 115.11 119.72 1auw h GLN 386 Ca 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 1auw h GLN 386 Cb 0.22 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 1auw h GLN 386 CO -0.23 0.62 0.23 0.00 -1.50 0.00 0.00 178.83 177.95 1auw h ALA 387 N 1.02 0.58 -0.72 3.87 0.00 -0.60 0.20 119.26 123.61 1auw h ALA 387 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1auw h ALA 387 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1auw h ALA 387 CO -0.01 0.13 0.30 1.25 0.00 0.00 0.00 179.25 180.92 1auw h HIS 388 N 0.59 1.06 -0.19 0.00 -0.00 -0.58 -1.60 115.15 114.43 1auw h HIS 388 Ca 0.16 -0.06 -0.18 0.00 -0.00 0.00 0.00 60.37 60.28 1auw h HIS 388 Cb 0.09 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1auw h HIS 388 CO -0.01 0.80 -0.59 1.15 -0.00 0.00 0.00 177.93 179.28 1auw h THR 389 N 1.03 1.30 -0.73 6.26 2.02 -0.97 -1.78 112.91 120.04 1auw h THR 389 Ca 0.24 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1auw h THR 389 Cb 0.17 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1auw h THR 389 CO -0.02 0.57 0.40 0.00 0.37 0.00 0.00 175.52 176.84 1auw h ALA 390 N 0.58 0.94 -0.55 6.16 0.00 -0.78 -1.22 119.26 124.39 1auw h ALA 390 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1auw h ALA 390 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1auw h ALA 390 CO 0.13 0.45 0.25 1.03 0.00 0.00 0.00 179.25 181.11 1auw h SER 391 N 1.01 0.73 -1.01 0.00 0.87 -1.29 -1.65 113.55 112.21 1auw h SER 391 Ca 0.26 -0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1auw h SER 391 Cb 0.03 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 1auw h SER 391 CO -0.04 0.66 0.65 1.23 -0.53 0.00 0.00 176.83 178.80 1auw h GLY 392 N 0.74 1.54 1.02 5.77 0.00 -0.63 -0.34 103.07 111.18 1auw h GLY 392 Ca 0.19 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1auw h GLY 392 CO -0.02 0.33 -0.07 0.50 0.00 0.00 0.00 176.54 177.27 1auw h LYS 393 N 1.17 0.87 -0.47 4.80 1.57 -0.67 -1.34 116.57 122.51 1auw h LYS 393 Ca 0.44 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1auw h LYS 393 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1auw h LYS 393 CO -0.18 0.95 0.18 0.00 -0.57 0.00 0.00 179.45 179.84 1auw h ALA 394 N 0.89 1.45 -0.51 3.86 0.00 -0.51 0.21 119.26 124.64 1auw h ALA 394 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1auw h ALA 394 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1auw h ALA 394 CO 0.04 0.42 -0.09 0.28 0.00 0.00 0.00 179.25 179.91 1auw h VAL 395 N 0.66 1.27 -0.33 0.00 2.07 -0.72 -2.27 116.25 116.94 1auw h VAL 395 Ca 0.16 -1.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.30 1auw h VAL 395 Cb 0.14 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1auw h VAL 395 CO -0.02 0.43 -0.42 -0.74 0.02 0.00 0.00 177.57 176.84 1auw h HIS 396 N 0.82 1.05 -0.23 1.57 6.17 -0.44 -2.38 115.15 121.71 1auw h HIS 396 Ca 0.13 -0.34 -0.00 0.00 0.71 0.00 0.00 60.37 60.87 1auw h HIS 396 Cb 0.64 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 1auw h HIS 396 CO 0.05 1.15 0.14 1.25 0.71 0.00 0.00 177.93 181.23 1auw h LEU 397 N 0.65 0.27 -0.03 0.26 5.85 -0.58 -0.20 115.31 121.53 1auw h LEU 397 Ca 0.04 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1auw h LEU 397 Cb 1.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1auw h LEU 397 CO 0.10 0.23 -0.05 0.00 -0.34 0.00 0.00 178.44 178.38 1auw h ALA 398 N 1.05 -0.02 -0.15 1.25 0.00 -1.43 -0.59 119.26 119.36 1auw h ALA 398 Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1auw h ALA 398 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1auw h ALA 398 CO -0.02 -0.54 -0.32 1.49 0.00 0.00 0.00 179.25 179.87 1auw h GLU 399 N -0.08 -0.36 0.00 0.00 4.81 -1.14 0.22 114.58 118.03 1auw h GLU 399 Ca 0.03 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1auw h GLU 399 Cb 0.12 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1auw h GLU 399 CO -0.08 -0.24 -0.01 1.79 -0.73 0.00 0.00 179.01 179.73 1auw h THR 400 N -0.38 0.14 -0.02 0.32 1.35 -0.73 0.68 112.91 114.28 1auw h THR 400 Ca 0.10 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1auw h THR 400 Cb 0.54 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1auw h THR 400 CO -0.37 0.01 -0.00 0.29 -0.25 0.00 0.00 175.52 175.21 1auw n LYS 401 N -3.25 1.81 -1.51 4.72 5.02 0.60 -4.94 118.16 120.61 1auw n LYS 401 Ca -0.02 -1.19 -0.13 0.00 -2.02 0.00 0.00 58.31 54.95 1auw n LYS 401 Cb 0.13 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1auw n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1auw n GLY 402 N 1.22 1.18 3.54 0.72 0.00 0.23 -5.00 105.19 107.07 1auw n GLY 402 Ca 0.18 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1auw n GLY 402 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1auw s ILE 403 N -2.52 1.45 0.28 -0.61 -4.36 -0.75 -5.02 121.20 109.68 1auw s ILE 403 Ca 0.00 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.31 1auw s ILE 403 Cb 0.00 -2.80 -0.06 0.00 1.25 0.00 0.00 42.46 40.85 1auw s ILE 403 CO 0.00 0.00 0.59 0.42 0.24 0.00 0.00 174.94 176.19 1auw s THR 404 N -3.05 4.94 0.53 8.37 -4.23 -1.26 -3.85 115.64 117.10 1auw s THR 404 Ca 0.33 0.33 0.22 0.00 -1.18 0.00 0.00 61.69 61.39 1auw s THR 404 Cb 0.08 -3.68 0.35 0.00 1.34 0.00 0.00 72.50 70.59 1auw s THR 404 CO 0.16 -0.25 2.06 0.16 -0.54 0.00 0.00 174.62 176.21 1auw h ILE 405 N 1.59 0.80 0.00 2.99 3.07 -1.89 0.12 117.51 124.19 1auw h ILE 405 Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1auw h ILE 405 Cb 1.18 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1auw h ILE 405 CO 0.67 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.31 1auw n ASN 406 N -4.37 0.00 -1.05 2.16 6.94 -1.26 -1.75 115.26 115.93 1auw n ASN 406 Ca 0.04 0.50 0.10 0.00 -0.02 0.00 0.00 54.58 55.20 1auw n ASN 406 Cb 0.39 -0.50 0.23 0.00 -2.36 0.00 0.00 39.78 37.55 1auw n ASN 406 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1auw n LYS 407 N -1.50 2.59 -2.47 -3.83 4.76 0.42 -4.96 118.16 113.17 1auw n LYS 407 Ca 0.04 -2.32 -0.42 0.00 -2.87 0.00 0.00 58.31 52.74 1auw n LYS 407 Cb 0.18 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 1auw n LYS 407 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1auw s LEU 408 N -1.11 4.34 0.54 -0.35 2.96 -0.72 -4.96 118.68 119.39 1auw s LEU 408 Ca 0.37 1.91 -0.19 0.00 -0.22 0.00 0.00 54.13 56.00 1auw s LEU 408 Cb 0.20 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 1auw s LEU 408 CO 0.27 -0.48 1.11 -0.94 -1.32 0.00 0.00 176.35 174.99 1auw s SER 409 N 1.18 5.82 0.30 3.68 1.04 -1.26 -4.84 113.70 119.62 1auw s SER 409 Ca 0.57 2.11 0.05 0.00 0.48 0.00 0.00 55.95 59.16 1auw s SER 409 Cb -0.27 -2.57 0.72 0.00 0.10 0.00 0.00 66.02 63.99 1auw s SER 409 CO 0.27 -1.15 1.77 0.25 0.98 0.00 0.00 173.24 175.36 1auw h LEU 410 N 1.20 0.71 -0.23 2.42 5.85 -1.97 0.29 115.31 123.58 1auw h LEU 410 Ca -0.50 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1auw h LEU 410 Cb 1.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1auw h LEU 410 CO 0.57 0.24 0.05 -0.08 -0.34 0.00 0.00 178.44 178.88 1auw h GLU 411 N 0.71 0.14 -0.73 1.25 4.57 -1.97 0.12 114.58 118.66 1auw h GLU 411 Ca 0.57 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.78 1auw h GLU 411 Cb 0.90 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 1auw h GLU 411 CO -0.40 0.09 0.45 -0.44 -1.18 0.00 0.00 179.01 177.53 1auw h ASP 412 N 0.14 0.72 -0.56 1.04 3.32 -0.85 -0.71 116.42 119.52 1auw h ASP 412 Ca 0.10 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1auw h ASP 412 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1auw h ASP 412 CO -0.13 0.49 0.12 -0.07 -1.72 0.00 0.00 179.24 177.93 1auw h LEU 413 N 0.86 0.87 -0.96 1.55 -0.00 -0.55 -2.19 115.31 114.89 1auw h LEU 413 Ca 0.31 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1auw h LEU 413 Cb 0.08 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1auw h LEU 413 CO -0.13 0.88 0.00 0.11 -0.00 0.00 0.00 178.44 179.30 1auw h LYS 414 N 0.81 0.00 0.00 1.13 1.57 0.02 0.87 116.57 120.97 1auw h LYS 414 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1auw h LYS 414 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1auw h LYS 414 CO 0.00 0.00 -1.00 0.66 -0.57 0.00 0.00 179.45 178.55 1auw h SER 415 N 0.00 0.00 0.31 0.86 4.64 -0.55 -3.27 113.55 115.54 1auw h SER 415 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1auw h SER 415 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1auw h SER 415 CO 0.00 0.46 -1.51 0.40 -0.87 0.00 0.00 176.83 175.31 1auw h ILE 416 N 0.00 1.24 -1.53 0.95 1.08 -0.61 -3.47 117.51 115.16 1auw h ILE 416 Ca -0.08 -2.72 0.11 0.00 -0.39 0.00 0.00 64.86 61.77 1auw h ILE 416 Cb 1.42 2.96 -0.26 0.00 -3.07 0.00 0.00 36.82 37.87 1auw h ILE 416 CO 0.05 0.83 0.32 -0.55 -0.69 0.00 0.00 178.15 178.10 1auw s SER 417 N -7.44 -0.57 0.37 1.72 0.15 0.12 -4.96 113.70 103.10 1auw s SER 417 Ca -0.10 0.90 0.26 0.00 0.70 0.00 0.00 55.95 57.71 1auw s SER 417 Cb 0.05 1.30 1.35 0.00 -1.71 0.00 0.00 66.02 67.01 1auw s SER 417 CO 0.92 -0.14 1.79 -0.65 1.20 0.00 0.00 173.24 176.35 1auw h PRO 418 N 6.36 0.00 0.00 5.44 0.11 -1.80 -2.60 132.00 139.51 1auw h PRO 418 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1auw h PRO 418 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1auw h PRO 418 CO 0.18 0.00 -0.06 1.96 -0.21 0.00 0.00 178.00 179.87 1auw h GLN 419 N 0.00 0.00 -6.19 1.05 1.08 -1.90 -3.43 115.11 105.73 1auw h GLN 419 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1auw h GLN 419 Cb 0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1auw h GLN 419 CO 0.00 0.06 0.87 -0.06 -0.95 0.00 0.00 178.83 178.75 1auw s PHE 420 N -3.89 2.89 0.51 2.96 0.08 -0.98 -5.01 117.98 114.54 1auw s PHE 420 Ca -0.01 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.10 1auw s PHE 420 Cb 0.11 -3.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.09 1auw s PHE 420 CO 0.54 -1.69 0.25 0.45 -0.10 0.00 0.00 175.22 174.68 1auw n SER 421 N 6.32 2.89 0.11 1.36 2.88 -1.26 -4.62 113.62 121.30 1auw n SER 421 Ca 0.13 -2.90 0.06 0.00 -1.33 0.00 0.00 58.87 54.84 1auw n SER 421 Cb 0.45 0.09 0.52 0.00 -0.75 0.00 0.00 64.21 64.52 1auw n SER 421 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1auw h SER 422 N 0.80 0.27 0.26 -3.46 4.64 -1.98 -2.24 113.55 111.85 1auw h SER 422 Ca -0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1auw h SER 422 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1auw h SER 422 CO 0.57 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 1auw n ASP 423 N -4.50 0.00 0.31 4.97 5.75 -1.26 -2.49 116.55 119.33 1auw n ASP 423 Ca 0.01 0.27 0.19 0.00 -0.01 0.00 0.00 54.79 55.25 1auw n ASP 423 Cb 0.08 -0.37 1.03 0.00 -1.03 0.00 0.00 41.12 40.83 1auw n ASP 423 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1auw h VAL 424 N 0.00 0.21 -0.21 2.12 3.04 -1.81 -1.93 116.25 117.68 1auw h VAL 424 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1auw h VAL 424 Cb 0.13 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1auw h VAL 424 CO 0.00 0.02 0.19 0.77 -1.01 0.00 0.00 177.57 177.53 1auw h SER 425 N 0.00 0.00 1.20 3.17 4.64 -1.73 -1.03 113.55 119.80 1auw h SER 425 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1auw h SER 425 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1auw h SER 425 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 1auw h GLN 426 N 0.00 0.00 -0.30 4.77 1.08 -1.62 -2.92 115.11 116.12 1auw h GLN 426 Ca 0.10 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1auw h GLN 426 Cb 0.48 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1auw h GLN 426 CO -0.00 0.00 -0.12 0.28 -0.95 0.00 0.00 178.83 178.04 1auw h VAL 427 N 0.00 1.23 -0.17 -0.54 2.07 -1.37 -3.27 116.25 114.20 1auw h VAL 427 Ca 0.00 -1.02 -0.64 0.00 0.82 0.00 0.00 66.70 65.86 1auw h VAL 427 Cb 0.60 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1auw h VAL 427 CO 0.00 0.33 3.31 0.49 0.02 0.00 0.00 177.57 181.73 1auw n PHE 428 N -4.20 2.25 -3.56 1.57 3.72 -1.10 -4.69 117.46 111.44 1auw n PHE 428 Ca 0.01 -2.93 -0.09 0.00 -0.05 0.00 0.00 57.45 54.39 1auw n PHE 428 Cb 0.32 -2.33 -0.09 0.00 -0.94 0.00 0.00 39.48 36.44 1auw n PHE 428 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1auw s ASN 429 N 1.90 -0.04 0.61 4.37 3.84 -1.24 -5.05 114.94 119.33 1auw s ASN 429 Ca 0.68 0.71 0.36 0.00 0.21 0.00 0.00 52.86 54.81 1auw s ASN 429 Cb 0.19 1.22 1.96 0.00 -0.55 0.00 0.00 41.25 44.07 1auw s ASN 429 CO -0.06 -0.25 2.25 -0.26 -2.79 0.00 0.00 177.10 175.98 1auw h PHE 430 N 8.19 0.00 0.23 0.43 0.04 -1.92 -1.29 116.94 122.61 1auw h PHE 430 Ca -0.17 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.28 1auw h PHE 430 Cb 1.12 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.31 1auw h PHE 430 CO 0.24 0.02 -1.43 0.28 -0.60 0.00 0.00 178.31 176.83 1auw h VAL 431 N 0.00 1.33 -0.35 -0.55 2.07 -1.96 -2.63 116.25 114.15 1auw h VAL 431 Ca -0.00 -2.77 -0.07 0.00 0.82 0.00 0.00 66.70 64.68 1auw h VAL 431 Cb 0.11 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1auw h VAL 431 CO 0.00 0.83 -0.07 0.78 0.02 0.00 0.00 177.57 179.13 1auw h ASN 432 N 0.14 0.56 0.93 0.57 2.35 -1.67 -0.49 115.58 117.96 1auw h ASN 432 Ca -0.23 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 1auw h ASN 432 Cb 2.13 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 40.36 1auw h ASN 432 CO 0.26 0.68 -0.45 -1.28 -1.65 0.00 0.00 177.43 175.00 1auw h SER 433 N 0.54 -1.06 -0.95 5.81 0.87 -1.28 -2.90 113.55 114.59 1auw h SER 433 Ca 0.10 0.04 0.17 0.00 -1.23 0.00 0.00 61.79 60.87 1auw h SER 433 Cb 0.46 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 1auw h SER 433 CO 0.02 -0.73 0.60 0.58 -0.53 0.00 0.00 176.83 176.77 1auw h VAL 434 N -1.29 0.77 0.00 2.23 2.07 -1.30 -1.98 116.25 116.76 1auw h VAL 434 Ca -0.13 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1auw h VAL 434 Cb 0.96 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1auw h VAL 434 CO 0.21 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.31 1auw n GLU 435 N -4.62 0.03 0.22 1.57 -0.58 -0.21 -2.89 120.64 114.16 1auw n GLU 435 Ca 0.20 0.24 0.10 0.00 -0.42 0.00 0.00 57.16 57.29 1auw n GLU 435 Cb 0.54 -1.50 0.41 0.00 -0.57 0.00 0.00 31.44 30.32 1auw n GLU 435 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1auw h GLN 436 N 0.00 0.00 -3.25 3.49 4.20 -1.24 -3.37 115.11 114.94 1auw h GLN 436 Ca 0.00 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.98 1auw h GLN 436 Cb 0.23 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.91 1auw h GLN 436 CO 0.00 0.20 2.55 0.66 -0.67 0.00 0.00 178.83 181.57 1auw n TYR 437 N -3.29 2.85 0.53 2.96 4.02 -1.14 -4.59 117.16 118.50 1auw n TYR 437 Ca 0.01 -2.86 0.12 0.00 -0.01 0.00 0.00 57.90 55.15 1auw n TYR 437 Cb 0.46 -2.08 0.13 0.00 -0.02 0.00 0.00 39.34 37.84 1auw n TYR 437 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1auw h THR 438 N 3.34 0.00 -4.13 -0.72 1.35 -1.87 0.06 112.91 110.95 1auw h THR 438 Ca 0.57 -0.53 -0.53 0.00 -0.55 0.00 0.00 66.41 65.37 1auw h THR 438 Cb 0.49 1.06 0.13 0.00 -1.73 0.00 0.00 68.15 68.10 1auw h THR 438 CO 1.65 0.00 0.45 0.00 -0.25 0.00 0.00 175.52 177.37 1auw s ALA 439 N -3.19 2.41 0.22 6.62 0.00 -1.26 -4.75 121.76 121.81 1auw s ALA 439 Ca 0.05 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1auw s ALA 439 Cb 0.13 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 1auw s ALA 439 CO 0.74 -1.41 0.95 1.28 0.00 0.00 0.00 175.76 177.32 1auw n LEU 440 N -1.97 0.94 0.00 0.00 4.77 -1.26 -1.52 117.00 117.96 1auw n LEU 440 Ca 0.14 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1auw n LEU 440 Cb 0.50 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1auw n LEU 440 CO 0.46 -1.75 0.00 0.61 -1.33 0.00 0.00 177.39 175.38 1auw n GLY 441 N 1.66 2.78 1.13 -0.72 0.00 -1.26 -5.02 105.19 103.77 1auw n GLY 441 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1auw n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auw n GLY 442 N -2.00 -2.53 0.57 -0.02 0.00 -0.57 -4.99 105.19 95.64 1auw n GLY 442 Ca 0.00 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1auw n GLY 442 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1auw n THR 443 N -3.26 0.00 -1.49 2.61 -1.04 -1.14 -4.35 114.28 105.62 1auw n THR 443 Ca 0.05 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.41 1auw n THR 443 Cb 0.19 1.01 0.09 0.00 -1.82 0.00 0.00 70.33 69.80 1auw n THR 443 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1auw n ALA 444 N 0.25 0.60 -0.15 2.41 0.00 -0.00 -4.65 120.51 118.97 1auw n ALA 444 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1auw n ALA 444 Cb 0.46 -2.27 0.06 0.00 0.00 0.00 0.00 19.45 17.70 1auw n ALA 444 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1auw h LYS 445 N -0.02 0.25 -0.88 0.00 3.64 -1.88 -0.48 116.57 117.21 1auw h LYS 445 Ca -0.49 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 1auw h LYS 445 Cb 1.33 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1auw h LYS 445 CO 0.50 0.17 0.57 0.66 -2.27 0.00 0.00 179.45 179.07 1auw h SER 446 N 0.26 0.80 0.62 4.20 4.64 -1.94 0.04 113.55 122.17 1auw h SER 446 Ca 0.23 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 1auw h SER 446 Cb 0.29 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1auw h SER 446 CO -0.29 0.48 -0.65 0.28 -0.87 0.00 0.00 176.83 175.78 1auw h SER 447 N 0.90 0.03 0.43 4.97 0.02 -1.47 -2.27 113.55 116.15 1auw h SER 447 Ca 0.40 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 61.11 1auw h SER 447 Cb 0.36 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1auw h SER 447 CO -0.16 0.68 -0.95 0.58 -1.14 0.00 0.00 176.83 175.83 1auw h VAL 448 N 0.02 1.43 -0.47 2.27 2.07 0.27 -2.73 116.25 119.11 1auw h VAL 448 Ca -0.01 -2.54 -0.04 0.00 0.82 0.00 0.00 66.70 64.93 1auw h VAL 448 Cb 1.16 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1auw h VAL 448 CO 0.09 0.75 0.13 0.74 0.02 0.00 0.00 177.57 179.30 1auw h THR 449 N 0.18 1.23 -0.83 2.57 2.02 -0.97 -2.38 112.91 114.73 1auw h THR 449 Ca -0.07 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1auw h THR 449 Cb 1.59 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.81 1auw h THR 449 CO 0.16 0.28 0.52 0.74 0.37 0.00 0.00 175.52 177.59 1auw h THR 450 N 0.62 1.22 -0.47 3.16 2.02 -1.41 -1.61 112.91 116.45 1auw h THR 450 Ca 0.15 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1auw h THR 450 Cb 0.29 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1auw h THR 450 CO -0.00 0.23 0.16 1.56 0.37 0.00 0.00 175.52 177.83 1auw h GLN 451 N 1.14 0.72 -0.42 6.66 4.20 -1.19 -0.87 115.11 125.35 1auw h GLN 451 Ca 0.30 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1auw h GLN 451 Cb -0.08 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1auw h GLN 451 CO -0.06 0.68 0.19 0.82 -0.67 0.00 0.00 178.83 179.78 1auw h ILE 452 N 0.61 0.93 -0.51 2.54 2.04 -0.87 0.20 117.51 122.45 1auw h ILE 452 Ca 0.15 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1auw h ILE 452 Cb 0.25 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1auw h ILE 452 CO -0.01 0.07 0.29 -0.33 0.00 0.00 0.00 178.15 178.18 1auw h GLU 453 N 0.38 0.71 -0.78 2.37 4.39 -1.03 -0.94 114.58 119.68 1auw h GLU 453 Ca 0.19 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1auw h GLU 453 Cb 0.13 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1auw h GLU 453 CO -0.15 0.54 0.36 1.96 -1.16 0.00 0.00 179.01 180.56 1auw h GLN 454 N 0.69 1.13 -0.02 2.33 4.20 -0.33 -2.39 115.11 120.71 1auw h GLN 454 Ca 0.18 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1auw h GLN 454 Cb 0.02 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1auw h GLN 454 CO -0.03 0.88 0.01 -0.07 -0.67 0.00 0.00 178.83 178.95 1auw h LEU 455 N 1.10 0.03 -0.89 1.46 -0.00 -0.34 -2.47 115.31 114.19 1auw h LEU 455 Ca 0.27 -0.14 0.17 0.00 -0.00 0.00 0.00 57.88 58.17 1auw h LEU 455 Cb 0.14 -0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 40.69 1auw h LEU 455 CO -0.03 0.16 0.47 0.03 -0.00 0.00 0.00 178.44 179.07 1auw h ARG 456 N -0.11 0.61 -0.45 1.13 3.08 -0.89 0.32 114.38 118.07 1auw h ARG 456 Ca 0.01 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1auw h ARG 456 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1auw h ARG 456 CO -0.00 0.40 -0.21 0.93 -1.07 0.00 0.00 179.97 180.02 1auw h GLU 457 N 0.63 0.94 -0.50 0.04 4.39 -1.31 -2.81 114.58 115.96 1auw h GLU 457 Ca 0.50 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1auw h GLU 457 Cb 0.76 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1auw h GLU 457 CO -0.39 1.07 0.29 -0.07 -1.16 0.00 0.00 179.01 178.76 1auw h LEU 458 N 0.78 0.61 -1.90 1.33 4.07 -0.58 -1.74 115.31 117.88 1auw h LEU 458 Ca 0.10 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.05 1auw h LEU 458 Cb 0.79 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1auw h LEU 458 CO 0.07 0.50 0.19 0.24 -1.08 0.00 0.00 178.44 178.36 1auw h MET 459 N 0.67 0.12 -0.41 1.13 2.86 -0.94 -0.66 114.93 117.70 1auw h MET 459 Ca 0.18 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1auw h MET 459 Cb 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1auw h MET 459 CO -0.03 0.08 -0.11 0.87 1.06 0.00 0.00 176.91 178.78 1auw h LYS 460 N 0.12 0.79 -0.30 1.72 1.57 -1.06 -3.24 116.57 116.17 1auw h LYS 460 Ca 0.12 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1auw h LYS 460 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1auw h LYS 460 CO -0.02 0.93 -0.11 0.87 -0.57 0.00 0.00 179.45 180.55 1auw h LYS 461 N 0.61 0.61 -4.92 3.15 1.79 -0.83 -3.41 116.57 113.57 1auw h LYS 461 Ca 0.10 -0.25 -0.67 0.00 -2.18 0.00 0.00 60.65 57.65 1auw h LYS 461 Cb 0.64 -0.02 -0.31 0.00 -1.58 0.00 0.00 32.23 30.96 1auw h LYS 461 CO 0.04 0.82 -0.74 1.14 -1.08 0.00 0.00 179.45 179.64 1auw s GLN 462 N -4.68 2.98 0.00 3.15 -2.07 -0.59 -5.13 119.66 113.32 1auw s GLN 462 Ca -0.13 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 1auw s GLN 462 Cb 0.08 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 1auw s GLN 462 CO 0.79 -0.35 0.13 0.36 -1.32 0.00 0.00 175.29 174.90