#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auw s ASP 18 N 0.00 6.58 0.37 8.00 2.15 -1.26 -4.89 116.67 127.62 1auw s ASP 18 Ca 0.00 2.63 0.12 0.00 0.43 0.00 0.00 52.55 55.73 1auw s ASP 18 Cb 0.00 -2.60 0.91 0.00 -0.30 0.00 0.00 42.92 40.93 1auw s ASP 18 CO 0.00 -0.82 1.85 1.55 -0.17 0.00 0.00 175.17 177.58 1auw h PRO 19 N 6.67 0.57 -0.10 4.34 0.13 -2.06 -0.61 132.00 140.95 1auw h PRO 19 Ca -0.43 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1auw h PRO 19 Cb 1.21 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1auw h PRO 19 CO 0.91 0.38 -0.74 0.82 -0.23 0.00 0.00 178.00 179.14 1auw h ILE 20 N 0.59 1.36 -0.49 -3.56 2.04 -1.99 -2.72 117.51 112.74 1auw h ILE 20 Ca 0.47 -2.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 1auw h ILE 20 Cb 0.91 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 1auw h ILE 20 CO -0.22 0.64 0.16 0.24 0.00 0.00 0.00 178.15 178.97 1auw h MET 21 N 0.33 0.75 -0.38 2.37 2.86 -1.54 -0.56 114.93 118.75 1auw h MET 21 Ca -0.03 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1auw h MET 21 Cb 1.32 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1auw h MET 21 CO 0.13 0.70 0.25 0.93 1.06 0.00 0.00 176.91 179.98 1auw h GLU 22 N 0.65 0.50 -0.24 1.72 5.08 -1.19 -2.54 114.58 118.56 1auw h GLU 22 Ca 0.16 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1auw h GLU 22 Cb 0.25 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1auw h GLU 22 CO -0.01 0.33 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.11 1auw h LYS 23 N 0.52 0.07 0.00 2.33 1.63 -1.14 -1.52 116.57 118.46 1auw h LYS 23 Ca 0.14 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1auw h LYS 23 Cb -0.06 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1auw h LYS 23 CO -0.03 0.04 0.00 -0.07 -3.45 0.00 0.00 179.45 175.94 1auw h LEU 24 N 0.07 0.00 0.00 5.20 3.38 -0.87 -2.22 115.31 120.87 1auw h LEU 24 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1auw h LEU 24 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1auw h LEU 24 CO -0.20 0.00 -1.17 0.59 0.09 0.00 0.00 178.44 177.75 1auw n ASN 25 N -2.66 0.72 -4.55 -0.43 3.02 -0.64 -4.89 115.26 105.82 1auw n ASN 25 Ca -0.01 -0.64 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 1auw n ASN 25 Cb 0.14 1.12 -0.03 0.00 -0.61 0.00 0.00 39.78 40.39 1auw n ASN 25 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1auw s SER 26 N -3.43 5.49 0.09 6.41 0.01 -0.79 -4.77 113.70 116.70 1auw s SER 26 Ca 0.04 0.04 0.24 0.00 1.31 0.00 0.00 55.95 57.58 1auw s SER 26 Cb 0.15 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 64.04 1auw s SER 26 CO 0.86 -2.26 1.17 -1.54 0.41 0.00 0.00 173.24 171.87 1auw n SER 27 N 11.98 0.65 -0.43 2.44 3.41 -0.55 -4.25 113.62 126.88 1auw n SER 27 Ca 0.18 -0.03 0.36 0.00 -0.26 0.00 0.00 58.87 59.11 1auw n SER 27 Cb 0.51 0.48 0.66 0.00 -0.26 0.00 0.00 64.21 65.60 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 0.24 -0.74 -1.33 6.09 -1.45 0.20 117.51 120.52 1auw h ILE 28 Ca 0.00 -0.04 0.05 0.00 -1.37 0.00 0.00 64.86 63.49 1auw h ILE 28 Cb 0.74 0.10 -0.04 0.00 0.47 0.00 0.00 36.82 38.09 1auw h ILE 28 CO 0.00 0.02 0.48 0.00 -3.07 0.00 0.00 178.15 175.59 1auw h ALA 29 N 1.50 1.63 0.00 0.18 0.00 -1.86 -3.32 119.26 117.38 1auw h ALA 29 Ca 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 1auw h ALA 29 Cb 2.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1auw h ALA 29 CO -0.27 0.28 -1.14 2.48 0.00 0.00 0.00 179.25 180.59 1auw n TYR 30 N -4.47 0.00 1.85 0.00 0.18 0.52 -4.71 117.16 110.53 1auw n TYR 30 Ca 0.10 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.98 1auw n TYR 30 Cb 0.17 -0.08 0.52 0.00 -0.38 0.00 0.00 39.34 39.57 1auw n TYR 30 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1auw n ASP 31 N -1.73 0.33 0.19 9.48 5.75 -0.24 -4.12 116.55 126.21 1auw n ASP 31 Ca -0.02 -1.48 0.17 0.00 -0.01 0.00 0.00 54.79 53.46 1auw n ASP 31 Cb 0.21 -0.02 0.81 0.00 -1.03 0.00 0.00 41.12 41.09 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 0.44 0.00 0.00 0.11 4.20 -1.81 -0.05 115.11 118.00 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 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 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 -3.86 0.17 -0.07 1.46 1.85 -1.26 -2.06 116.66 112.89 1auw n ARG 33 Ca 0.02 0.41 0.09 0.00 -1.00 0.00 0.00 57.85 57.37 1auw n ARG 33 Cb 0.35 -1.83 0.35 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.15 1.17 0.07 2.89 4.32 -0.03 -4.49 117.00 118.78 1auw n LEU 34 Ca 0.02 -0.51 -0.14 0.00 -0.02 0.00 0.00 56.01 55.35 1auw n LEU 34 Cb 0.21 -0.09 -0.08 0.00 -1.62 0.00 0.00 43.42 41.84 1auw n LEU 34 CO 0.18 0.26 0.56 0.77 -1.22 0.00 0.00 177.39 177.94 1auw h SER 35 N 1.48 -1.38 -0.50 -1.43 4.64 -1.58 -1.48 113.55 113.31 1auw h SER 35 Ca 0.00 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1auw h SER 35 Cb 0.33 0.53 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1auw h SER 35 CO 0.00 -0.49 0.29 -0.08 -0.87 0.00 0.00 176.83 175.68 1auw h GLU 36 N -0.63 0.69 0.00 4.77 4.22 -1.86 -1.36 114.58 120.41 1auw h GLU 36 Ca 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1auw h GLU 36 Cb 0.69 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1auw h GLU 36 CO -0.31 0.52 -0.16 -0.39 -2.18 0.00 0.00 179.01 176.49 1auw h VAL 37 N 0.66 0.83 0.15 0.32 -1.51 -1.83 0.42 116.25 115.28 1auw h VAL 37 Ca 0.18 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1auw h VAL 37 Cb 0.02 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1auw h VAL 37 CO -0.03 0.16 -0.07 -0.78 -1.23 0.00 0.00 177.57 175.62 1auw h ASP 38 N 0.00 -0.17 -0.20 4.19 3.58 -0.57 -0.17 116.42 123.08 1auw h ASP 38 Ca -0.00 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1auw h ASP 38 Cb 0.35 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1auw h ASP 38 CO 0.02 0.20 0.13 0.40 -2.88 0.00 0.00 179.24 177.11 1auw h ILE 39 N -0.56 1.06 -0.86 2.25 2.04 -0.65 0.16 117.51 120.95 1auw h ILE 39 Ca -0.02 -0.12 0.13 0.00 1.00 0.00 0.00 64.86 65.85 1auw h ILE 39 Cb 0.43 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1auw h ILE 39 CO 0.03 0.06 0.56 -0.61 0.00 0.00 0.00 178.15 178.19 1auw h GLN 40 N 0.26 0.68 0.03 2.37 4.15 -0.16 0.60 115.11 123.05 1auw h GLN 40 Ca 0.07 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 59.22 1auw h GLN 40 Cb -0.02 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 1auw h GLN 40 CO -0.02 0.45 -0.99 0.78 -1.93 0.00 0.00 178.83 177.13 1auw h GLY 41 N 0.71 0.37 0.97 2.39 0.00 0.11 -3.02 103.07 104.59 1auw h GLY 41 Ca 0.42 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1auw h GLY 41 CO -0.18 0.62 -0.14 1.76 0.00 0.00 0.00 176.54 178.60 1auw h SER 42 N 0.17 0.75 -0.04 0.19 0.02 0.11 -1.92 113.55 112.82 1auw h SER 42 Ca -0.08 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1auw h SER 42 Cb 1.64 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 1auw h SER 42 CO 0.16 0.97 0.02 0.24 -1.14 0.00 0.00 176.83 177.08 1auw h MET 43 N 0.52 0.04 -0.85 3.45 2.07 -1.05 0.30 114.93 119.41 1auw h MET 43 Ca 0.08 -0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.75 1auw h MET 43 Cb 0.67 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.34 1auw h MET 43 CO 0.05 0.03 0.54 0.00 1.07 0.00 0.00 176.91 178.59 1auw h ALA 44 N 1.02 1.14 -0.61 6.32 0.00 -1.51 0.43 119.26 126.05 1auw h ALA 44 Ca 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1auw h ALA 44 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1auw h ALA 44 CO -0.01 0.35 0.10 -0.92 0.00 0.00 0.00 179.25 178.77 1auw h TYR 45 N 1.04 1.07 -0.90 0.00 3.20 -0.85 -1.83 116.97 118.70 1auw h TYR 45 Ca 0.35 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1auw h TYR 45 Cb 0.06 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 1auw h TYR 45 CO -0.02 0.91 0.55 0.00 -1.64 0.00 0.00 178.16 177.96 1auw h ALA 46 N 1.02 1.14 -0.68 1.82 0.00 0.72 -0.08 119.26 123.21 1auw h ALA 46 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1auw h ALA 46 Cb 0.42 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1auw h ALA 46 CO 0.01 0.59 0.20 0.87 0.00 0.00 0.00 179.25 180.92 1auw h LYS 47 N 1.23 1.07 -0.26 0.00 1.57 -0.55 -2.42 116.57 117.21 1auw h LYS 47 Ca 0.32 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1auw h LYS 47 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1auw h LYS 47 CO -0.06 0.93 -0.31 0.00 -0.57 0.00 0.00 179.45 179.44 1auw h ALA 48 N 1.09 0.99 -0.02 3.86 0.00 -0.75 -2.61 119.26 121.82 1auw h ALA 48 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1auw h ALA 48 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1auw h ALA 48 CO -0.00 0.60 -0.21 -0.07 0.00 0.00 0.00 179.25 179.56 1auw h LEU 49 N 0.46 0.03 -0.33 0.00 3.38 -0.69 -0.69 115.31 117.47 1auw h LEU 49 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1auw h LEU 49 Cb 0.76 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1auw h LEU 49 CO 0.06 0.25 -0.20 -0.08 0.09 0.00 0.00 178.44 178.56 1auw h GLU 50 N 0.03 0.72 -0.13 1.13 4.22 -1.09 -0.70 114.58 118.77 1auw h GLU 50 Ca 0.00 -0.33 -0.02 0.00 0.08 0.00 0.00 59.36 59.09 1auw h GLU 50 Cb 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1auw h GLU 50 CO 0.03 0.94 -0.01 0.87 -2.18 0.00 0.00 179.01 178.66 1auw h LYS 51 N 0.49 0.18 -0.00 1.92 1.57 -0.87 0.10 116.57 119.96 1auw h LYS 51 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1auw h LYS 51 Cb 0.75 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1auw h LYS 51 CO 0.06 0.21 -0.02 0.00 -0.57 0.00 0.00 179.45 179.12 1auw n ALA 52 N -2.51 2.61 -0.47 3.86 0.00 -0.39 -4.89 120.51 118.72 1auw n ALA 52 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1auw n ALA 52 Cb 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.19 1.84 0.36 0.00 0.00 0.35 -4.89 105.19 104.05 1auw n GLY 53 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 1.26 -3.73 -0.61 1.08 -1.34 -3.42 117.51 110.76 1auw h ILE 54 Ca 0.00 -0.60 -0.68 0.00 -0.39 0.00 0.00 64.86 63.19 1auw h ILE 54 Cb 0.00 -0.02 -0.19 0.00 -3.07 0.00 0.00 36.82 33.54 1auw h ILE 54 CO 0.00 0.28 -0.72 -0.76 -0.69 0.00 0.00 178.15 176.26 1auw s LEU 55 N -9.97 3.04 0.39 1.44 1.43 -1.07 -4.99 118.68 108.94 1auw s LEU 55 Ca -0.13 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1auw s LEU 55 Cb 0.17 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1auw s LEU 55 CO 0.83 0.30 0.80 0.42 0.23 0.00 0.00 176.35 178.93 1auw s THR 56 N -0.92 4.67 0.37 5.49 -4.23 -1.26 -4.41 115.64 115.37 1auw s THR 56 Ca 0.15 0.91 0.18 0.00 -1.18 0.00 0.00 61.69 61.75 1auw s THR 56 Cb -0.11 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.44 1auw s THR 56 CO 0.05 -0.40 1.70 0.50 -0.54 0.00 0.00 174.62 175.93 1auw h LYS 57 N 1.64 0.33 -0.21 3.99 3.11 -1.98 0.50 116.57 123.96 1auw h LYS 57 Ca -0.48 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.17 1auw h LYS 57 Cb 1.18 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1auw h LYS 57 CO 0.64 0.22 -0.56 1.79 -2.81 0.00 0.00 179.45 178.73 1auw h THR 58 N 0.34 1.31 -0.31 1.00 1.35 -1.99 -1.53 112.91 113.08 1auw h THR 58 Ca 0.69 -1.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.71 1auw h THR 58 Cb 1.73 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.88 1auw h THR 58 CO -0.45 0.57 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.05 1auw h GLU 59 N 0.50 0.55 -0.22 4.72 5.08 -1.31 -1.62 114.58 122.28 1auw h GLU 59 Ca 0.01 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1auw h GLU 59 Cb 1.13 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1auw h GLU 59 CO 0.11 0.69 0.06 1.25 -1.00 0.00 0.00 179.01 180.12 1auw h LEU 60 N 0.35 0.05 -0.91 1.33 5.85 -1.26 0.17 115.31 120.88 1auw h LEU 60 Ca 0.09 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1auw h LEU 60 Cb 0.44 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1auw h LEU 60 CO 0.02 0.06 0.54 -0.33 -0.34 0.00 0.00 178.44 178.38 1auw h GLU 61 N 0.15 0.83 -0.30 1.25 5.08 -1.08 0.15 114.58 120.66 1auw h GLU 61 Ca 0.10 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1auw h GLU 61 Cb 0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1auw h GLU 61 CO -0.12 0.55 -0.44 -0.22 -1.00 0.00 0.00 179.01 177.78 1auw h LYS 62 N 0.85 0.75 0.18 2.33 3.64 -0.38 -2.63 116.57 121.32 1auw h LYS 62 Ca 0.46 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1auw h LYS 62 Cb 0.49 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1auw h LYS 62 CO -0.28 1.04 -0.09 0.82 -2.27 0.00 0.00 179.45 178.67 1auw h ILE 63 N 0.61 0.93 -0.47 2.00 2.04 0.74 -1.42 117.51 121.95 1auw h ILE 63 Ca 0.04 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.34 1auw h ILE 63 Cb 1.00 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1auw h ILE 63 CO 0.10 0.15 0.33 -0.07 0.00 0.00 0.00 178.15 178.65 1auw h LEU 64 N -0.58 0.12 -0.13 1.44 3.38 -0.82 0.13 115.31 118.86 1auw h LEU 64 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1auw h LEU 64 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1auw h LEU 64 CO 0.04 0.07 -0.40 0.28 0.09 0.00 0.00 178.44 178.52 1auw h SER 65 N 0.14 0.57 0.19 -0.43 0.02 -1.30 -1.59 113.55 111.15 1auw h SER 65 Ca 0.22 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1auw h SER 65 Cb 0.69 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1auw h SER 65 CO -0.03 1.07 -0.12 1.23 -1.14 0.00 0.00 176.83 177.85 1auw h GLY 66 N 0.10 -0.30 0.30 -3.77 0.00 0.08 -2.19 103.07 97.28 1auw h GLY 66 Ca -0.01 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1auw h GLY 66 CO 0.09 -0.12 0.06 1.41 0.00 0.00 0.00 176.54 177.97 1auw h LEU 67 N -0.30 -0.08 -2.18 3.11 3.38 -0.87 -0.05 115.31 118.33 1auw h LEU 67 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1auw h LEU 67 Cb 0.25 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1auw h LEU 67 CO 0.02 -0.01 -0.05 -0.08 0.09 0.00 0.00 178.44 178.41 1auw h GLU 68 N 0.19 0.00 0.02 1.13 4.81 -1.06 -0.82 114.58 118.85 1auw h GLU 68 Ca 0.25 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.23 1auw h GLU 68 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1auw h GLU 68 CO -0.35 0.05 -1.00 0.87 -0.73 0.00 0.00 179.01 177.84 1auw h LYS 69 N 0.00 0.47 -0.59 1.92 6.56 -0.39 -3.13 116.57 121.42 1auw h LYS 69 Ca -0.00 -0.53 0.01 0.00 -1.06 0.00 0.00 60.65 59.07 1auw h LYS 69 Cb 0.12 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 1auw h LYS 69 CO 0.01 1.18 0.38 0.82 -2.06 0.00 0.00 179.45 179.78 1auw h ILE 70 N 0.25 1.13 -0.84 1.86 2.04 -0.40 -1.84 117.51 119.71 1auw h ILE 70 Ca -0.10 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1auw h ILE 70 Cb 1.65 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1auw h ILE 70 CO 0.18 0.14 0.52 0.28 0.00 0.00 0.00 178.15 179.27 1auw h SER 71 N 0.77 0.81 -0.62 1.72 0.02 -1.48 -0.88 113.55 113.89 1auw h SER 71 Ca 0.22 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1auw h SER 71 Cb -0.06 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1auw h SER 71 CO -0.06 0.51 0.23 -0.08 -1.14 0.00 0.00 176.83 176.30 1auw h GLU 72 N 0.94 0.94 -0.26 3.45 4.81 -1.36 0.14 114.58 123.24 1auw h GLU 72 Ca 0.37 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1auw h GLU 72 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1auw h GLU 72 CO -0.18 0.81 -0.02 0.93 -0.73 0.00 0.00 179.01 179.82 1auw h GLU 73 N 0.88 0.39 -0.05 1.92 5.08 -0.50 0.65 114.58 122.95 1auw h GLU 73 Ca 0.21 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1auw h GLU 73 Cb 0.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1auw h GLU 73 CO -0.01 0.44 -0.32 -1.49 -1.00 0.00 0.00 179.01 176.63 1auw h TRP 74 N 0.38 0.42 0.25 4.33 4.06 -0.69 -0.28 115.95 124.42 1auw h TRP 74 Ca 0.08 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1auw h TRP 74 Cb 0.29 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1auw h TRP 74 CO 0.01 0.94 -0.16 0.77 -3.56 0.00 0.00 178.44 176.43 1auw h SER 75 N -0.22 -0.41 0.14 -3.49 0.02 -0.30 -2.27 113.55 107.03 1auw h SER 75 Ca -0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1auw h SER 75 Cb 0.98 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1auw h SER 75 CO 0.06 -0.26 -0.11 0.11 -1.14 0.00 0.00 176.83 175.49 1auw h LYS 76 N -0.41 0.00 0.00 3.45 1.57 -1.01 -3.46 116.57 116.72 1auw h LYS 76 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1auw h LYS 76 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1auw h LYS 76 CO 0.02 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.43 1auw n GLY 77 N -1.13 0.85 0.82 3.86 0.00 -0.85 -4.97 105.19 103.77 1auw n GLY 77 Ca -0.03 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.44 1auw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1auw n VAL 78 N -3.00 1.09 -2.57 1.61 0.24 -0.19 -4.97 118.33 110.54 1auw n VAL 78 Ca 0.00 -1.05 -0.42 0.00 -2.04 0.00 0.00 64.34 60.83 1auw n VAL 78 Cb 0.30 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 1auw n VAL 78 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1auw s PHE 79 N -1.12 3.55 -0.27 6.34 2.19 -0.78 -4.98 117.98 122.91 1auw s PHE 79 Ca 0.30 1.50 -0.08 0.00 0.33 0.00 0.00 56.93 58.98 1auw s PHE 79 Cb 0.16 -3.27 -0.02 0.00 -1.31 0.00 0.00 43.02 38.59 1auw s PHE 79 CO 0.19 -0.63 0.10 0.08 1.83 0.00 0.00 175.22 176.79 1auw s VAL 80 N 1.04 4.37 -0.28 3.12 1.01 -1.26 -5.04 120.40 123.36 1auw s VAL 80 Ca 0.55 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1auw s VAL 80 Cb -0.25 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1auw s VAL 80 CO 0.29 0.24 0.85 0.68 0.00 0.00 0.00 175.10 177.15 1auw s VAL 81 N 1.60 4.77 0.50 2.92 -7.23 -1.26 -5.04 120.40 116.67 1auw s VAL 81 Ca 0.05 1.43 -0.17 0.00 -1.81 0.00 0.00 61.98 61.48 1auw s VAL 81 Cb -0.16 -4.17 -0.08 0.00 0.56 0.00 0.00 36.38 32.53 1auw s VAL 81 CO 0.04 -0.21 0.98 -0.75 -0.31 0.00 0.00 175.10 174.86 1auw s LYS 82 N 3.00 3.98 0.48 4.82 2.20 -1.26 -4.95 119.74 128.01 1auw s LYS 82 Ca 0.35 1.00 0.27 0.00 -0.36 0.00 0.00 55.97 57.23 1auw s LYS 82 Cb -0.14 -2.14 1.32 0.00 -1.51 0.00 0.00 37.83 35.36 1auw s LYS 82 CO 0.11 -0.24 1.82 0.37 -0.36 0.00 0.00 175.35 177.05 1auw h GLN 83 N 1.09 0.18 0.00 4.03 5.75 -2.07 0.83 115.11 124.93 1auw h GLN 83 Ca -0.47 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1auw h GLN 83 Cb 1.18 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1auw h GLN 83 CO 0.61 0.12 0.00 -1.13 -2.65 0.00 0.00 178.83 175.78 1auw n SER 84 N -4.40 0.00 -4.55 -0.69 3.41 -1.26 -4.71 113.62 101.42 1auw n SER 84 Ca 0.23 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 1auw n SER 84 Cb 0.97 -0.23 -0.03 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 -2.47 6.31 0.07 4.04 1.01 0.28 -4.85 116.67 121.06 1auw s ASP 85 Ca 0.24 -0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.33 1auw s ASP 85 Cb 0.15 -2.53 -0.23 0.00 1.01 0.00 0.00 42.92 41.32 1auw s ASP 85 CO 0.33 -1.58 1.09 1.05 0.21 0.00 0.00 175.17 176.27 1auw h GLU 86 N 9.70 0.06 -3.98 8.23 4.11 -1.88 -3.44 114.58 127.38 1auw h GLU 86 Ca -0.26 -0.11 -0.17 0.00 0.07 0.00 0.00 59.36 58.89 1auw h GLU 86 Cb 1.06 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 1auw h GLU 86 CO 1.21 0.94 -0.24 0.16 0.07 0.00 0.00 179.01 181.15 1auw s ASP 87 N -6.67 0.30 0.10 3.06 1.47 -1.26 -1.20 116.67 112.46 1auw s ASP 87 Ca -0.02 -1.21 -0.23 0.00 1.18 0.00 0.00 52.55 52.27 1auw s ASP 87 Cb 0.09 0.58 -0.13 0.00 -0.34 0.00 0.00 42.92 43.11 1auw s ASP 87 CO 0.83 -1.14 1.72 -0.29 0.68 0.00 0.00 175.17 176.98 1auw h ILE 88 N 2.27 0.91 -0.90 2.11 6.09 -1.89 -1.59 117.51 124.51 1auw h ILE 88 Ca -0.29 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.38 1auw h ILE 88 Cb 1.25 0.91 -0.11 0.00 0.47 0.00 0.00 36.82 39.34 1auw h ILE 88 CO 0.40 0.00 0.47 0.78 -3.07 0.00 0.00 178.15 176.73 1auw h ASN 89 N -0.07 0.54 0.19 2.19 4.21 -1.94 -0.88 115.58 119.82 1auw h ASN 89 Ca 0.01 0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 1auw h ASN 89 Cb 0.08 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1auw h ASN 89 CO -0.02 0.17 -0.09 0.74 -1.29 0.00 0.00 177.43 176.93 1auw h THR 90 N 0.59 0.92 -0.60 2.81 2.02 -1.91 -1.51 112.91 115.23 1auw h THR 90 Ca 0.52 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 67.09 1auw h THR 90 Cb 0.84 1.34 -0.12 0.00 -1.74 0.00 0.00 68.15 68.47 1auw h THR 90 CO -0.42 0.16 -0.23 0.00 0.37 0.00 0.00 175.52 175.40 1auw h ALA 91 N 0.08 0.21 0.00 6.16 0.00 -0.19 0.21 119.26 125.72 1auw h ALA 91 Ca -0.03 0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1auw h ALA 91 Cb 0.46 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1auw h ALA 91 CO 0.04 -0.54 -0.44 -0.91 0.00 0.00 0.00 179.25 177.40 1auw h ASN 92 N -0.08 0.00 -0.31 0.00 4.21 -1.35 -1.88 115.58 116.17 1auw h ASN 92 Ca 0.27 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.63 1auw h ASN 92 Cb 0.51 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1auw h ASN 92 CO -0.65 0.44 -0.40 -0.08 -1.29 0.00 0.00 177.43 175.45 1auw h GLU 93 N 0.00 0.83 0.03 0.81 4.81 0.13 -2.18 114.58 119.00 1auw h GLU 93 Ca -0.00 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1auw h GLU 93 Cb 0.84 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1auw h GLU 93 CO 0.06 1.11 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.34 1auw h ARG 94 N 0.60 -0.04 -1.00 1.92 2.43 -0.53 -2.79 114.38 114.97 1auw h ARG 94 Ca 0.04 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1auw h ARG 94 Cb 1.00 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.49 1auw h ARG 94 CO 0.10 0.22 0.65 -0.09 -1.51 0.00 0.00 179.97 179.34 1auw h ARG 95 N -0.29 1.15 0.05 0.20 9.65 -1.36 0.10 114.38 123.88 1auw h ARG 95 Ca -0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1auw h ARG 95 Cb 0.28 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1auw h ARG 95 CO 0.01 0.76 -0.06 1.25 2.80 0.00 0.00 179.97 184.73 1auw h LEU 96 N 1.19 -0.16 -0.54 3.80 5.85 -1.31 -1.39 115.31 122.75 1auw h LEU 96 Ca 0.42 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.16 1auw h LEU 96 Cb 0.14 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1auw h LEU 96 CO -0.16 -0.09 0.32 0.11 -0.34 0.00 0.00 178.44 178.27 1auw h LYS 97 N -0.13 0.73 -0.30 1.25 1.57 -1.14 0.14 116.57 118.69 1auw h LYS 97 Ca 0.01 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1auw h LYS 97 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1auw h LYS 97 CO -0.03 0.54 0.25 0.93 -0.57 0.00 0.00 179.45 180.57 1auw h GLU 98 N 0.72 0.00 0.00 3.15 5.08 -0.68 0.16 114.58 123.01 1auw h GLU 98 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1auw h GLU 98 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1auw h GLU 98 CO -0.03 0.00 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.57 1auw h LEU 99 N 0.00 0.00 -1.47 1.33 3.38 -0.08 -3.41 115.31 115.06 1auw h LEU 99 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1auw h LEU 99 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1auw h LEU 99 CO -0.00 0.50 0.00 2.30 0.09 0.00 0.00 178.44 181.33 1auw n ILE 100 N -3.84 0.58 -4.15 1.22 -5.35 0.36 -5.04 119.36 103.13 1auw n ILE 100 Ca -0.05 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1auw n ILE 100 Cb 0.17 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 1auw n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1auw n GLY 101 N 1.05 -0.17 0.04 3.28 0.00 0.04 -3.90 105.19 105.53 1auw n GLY 101 Ca 0.13 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.46 0.27 0.26 1.61 9.92 -1.26 -3.26 116.55 124.55 1auw n ASP 102 Ca 0.00 0.54 0.10 0.00 -0.53 0.00 0.00 54.79 54.90 1auw n ASP 102 Cb 0.00 -0.61 0.69 0.00 -0.64 0.00 0.00 41.12 40.56 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 0.87 -0.13 0.53 2.04 -1.95 -2.00 117.51 116.87 1auw h ILE 103 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1auw h ILE 103 Cb 0.44 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1auw h ILE 103 CO 0.00 0.06 0.18 0.00 0.00 0.00 0.00 178.15 178.39 1auw h ALA 104 N 1.94 1.64 0.00 1.87 0.00 -1.79 -1.44 119.26 121.48 1auw h ALA 104 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1auw h ALA 104 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1auw h ALA 104 CO 0.01 -0.25 -0.27 0.78 0.00 0.00 0.00 179.25 179.51 1auw h GLY 105 N 0.00 0.00 1.54 0.00 0.00 -1.62 -2.86 103.07 100.13 1auw h GLY 105 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1auw h GLY 105 CO -0.00 0.00 0.02 0.50 0.00 0.00 0.00 176.54 177.06 1auw h LYS 106 N 0.00 0.58 -0.49 4.80 1.57 -1.45 -2.74 116.57 118.85 1auw h LYS 106 Ca -0.00 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1auw h LYS 106 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1auw h LYS 106 CO 0.04 0.59 0.51 1.25 -0.57 0.00 0.00 179.45 181.27 1auw h LEU 107 N 0.56 0.00 -0.87 2.94 5.85 -1.66 -0.11 115.31 122.01 1auw h LEU 107 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1auw h LEU 107 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1auw h LEU 107 CO 0.01 0.00 -0.21 0.45 -0.34 0.00 0.00 178.44 178.35 1auw h HIS 108 N 0.00 0.00 -1.38 1.25 3.86 -1.67 -3.46 115.15 113.75 1auw h HIS 108 Ca 0.23 0.00 -0.78 0.00 -1.16 0.00 0.00 60.37 58.66 1auw h HIS 108 Cb 1.25 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.74 1auw h HIS 108 CO 0.00 0.21 0.79 2.41 0.86 0.00 0.00 177.93 182.20 1auw n THR 109 N -3.29 0.19 0.00 2.45 -1.04 -0.06 -2.70 114.28 109.84 1auw n THR 109 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1auw n THR 109 Cb 0.47 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 3.97 1.94 3.94 3.41 0.00 -1.26 -5.01 105.19 112.18 1auw n GLY 110 Ca 0.27 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1auw n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1auw s ARG 111 N 0.00 1.07 0.13 1.61 1.70 -1.10 -4.54 118.95 117.82 1auw s ARG 111 Ca 0.00 -0.50 -0.05 0.00 -0.47 0.00 0.00 55.73 54.71 1auw s ARG 111 Cb 0.00 -1.98 -0.02 0.00 -0.57 0.00 0.00 34.95 32.38 1auw s ARG 111 CO 0.00 -2.07 0.16 0.45 -1.08 0.00 0.00 175.30 172.76 1auw s SER 112 N -4.81 0.20 0.30 -2.89 0.15 -1.26 -4.83 113.70 100.55 1auw s SER 112 Ca 0.70 -0.97 0.07 0.00 0.70 0.00 0.00 55.95 56.45 1auw s SER 112 Cb -0.05 0.35 0.48 0.00 -1.71 0.00 0.00 66.02 65.08 1auw s SER 112 CO 0.50 -0.78 1.72 -0.09 1.20 0.00 0.00 173.24 175.79 1auw h ARG 113 N 2.75 0.24 -0.30 5.44 9.65 -1.99 -1.40 114.38 128.78 1auw h ARG 113 Ca -0.33 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 58.48 1auw h ARG 113 Cb 1.20 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 1auw h ARG 113 CO 0.55 0.60 0.20 -0.91 2.80 0.00 0.00 179.97 183.21 1auw h ASN 114 N 0.21 0.19 0.17 -3.80 2.35 -1.92 0.18 115.58 112.96 1auw h ASN 114 Ca 0.02 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1auw h ASN 114 Cb 0.78 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 39.13 1auw h ASN 114 CO 0.06 0.13 -1.04 -0.78 -1.65 0.00 0.00 177.43 174.15 1auw h ASP 115 N 0.22 0.57 -0.20 5.81 3.58 -1.48 -3.37 116.42 121.56 1auw h ASP 115 Ca 0.13 -0.94 -0.04 0.00 0.42 0.00 0.00 57.03 56.60 1auw h ASP 115 Cb 0.23 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1auw h ASP 115 CO -0.02 1.50 -0.05 1.56 -2.88 0.00 0.00 179.24 179.35 1auw h GLN 116 N -0.23 0.38 -0.36 0.28 4.20 -0.33 -3.15 115.11 115.91 1auw h GLN 116 Ca -0.19 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.44 1auw h GLN 116 Cb 1.80 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.47 1auw h GLN 116 CO 0.18 0.63 -0.42 0.28 -0.67 0.00 0.00 178.83 178.82 1auw h VAL 117 N 0.10 0.12 -0.40 -0.54 2.07 -0.85 0.21 116.25 116.96 1auw h VAL 117 Ca 0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1auw h VAL 117 Cb 0.49 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1auw h VAL 117 CO 0.02 0.00 -0.14 -0.37 0.02 0.00 0.00 177.57 177.10 1auw h VAL 118 N -0.35 1.26 -0.45 2.57 -1.51 -1.71 -2.03 116.25 114.03 1auw h VAL 118 Ca 0.13 -1.20 -0.07 0.00 -1.23 0.00 0.00 66.70 64.33 1auw h VAL 118 Cb 0.59 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.83 1auw h VAL 118 CO -0.54 0.40 0.00 0.74 -1.23 0.00 0.00 177.57 176.94 1auw h THR 119 N 0.66 1.23 0.26 7.19 2.02 -1.35 -0.98 112.91 121.94 1auw h THR 119 Ca 0.11 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1auw h THR 119 Cb 0.61 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1auw h THR 119 CO 0.04 0.33 -0.12 0.44 0.37 0.00 0.00 175.52 176.58 1auw h ASP 120 N 0.68 -0.30 -0.12 4.18 5.19 -0.30 -2.00 116.42 123.76 1auw h ASP 120 Ca 0.14 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1auw h ASP 120 Cb 0.42 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1auw h ASP 120 CO 0.02 -0.04 0.07 0.25 -3.12 0.00 0.00 179.24 176.41 1auw h LEU 121 N -0.55 0.15 -0.43 1.55 5.85 -1.22 -0.30 115.31 120.36 1auw h LEU 121 Ca -0.04 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1auw h LEU 121 Cb 0.40 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1auw h LEU 121 CO 0.06 0.17 0.15 0.11 -0.34 0.00 0.00 178.44 178.59 1auw h LYS 122 N 0.11 0.31 -0.49 1.25 1.57 -1.22 0.31 116.57 118.42 1auw h LYS 122 Ca 0.04 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1auw h LYS 122 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1auw h LYS 122 CO -0.01 0.21 0.30 1.25 -0.57 0.00 0.00 179.45 180.63 1auw h LEU 123 N 0.32 0.50 -0.41 2.94 5.85 -1.12 0.13 115.31 123.53 1auw h LEU 123 Ca 0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1auw h LEU 123 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1auw h LEU 123 CO -0.20 0.36 0.21 0.15 -0.34 0.00 0.00 178.44 178.61 1auw h PHE 124 N 0.61 0.58 -0.62 1.25 3.57 -0.43 -2.95 116.94 118.94 1auw h PHE 124 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1auw h PHE 124 Cb -0.01 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1auw h PHE 124 CO -0.06 0.46 0.39 0.52 -2.23 0.00 0.00 178.31 177.40 1auw h MET 125 N 0.52 0.83 -0.70 1.11 2.86 0.50 -0.76 114.93 119.29 1auw h MET 125 Ca 0.14 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1auw h MET 125 Cb 0.09 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 1auw h MET 125 CO -0.02 0.57 0.39 0.87 1.06 0.00 0.00 176.91 179.78 1auw h LYS 126 N 0.84 0.68 -0.20 1.72 1.57 -0.67 0.54 116.57 121.05 1auw h LYS 126 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1auw h LYS 126 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1auw h LYS 126 CO -0.05 0.45 0.03 -0.91 -0.57 0.00 0.00 179.45 178.41 1auw h ASN 127 N 0.70 0.32 -0.77 0.86 -0.26 -1.27 -2.84 115.58 112.32 1auw h ASN 127 Ca 0.32 -0.26 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1auw h ASN 127 Cb 0.23 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.37 1auw h ASN 127 CO -0.20 0.50 0.36 0.28 -1.06 0.00 0.00 177.43 177.31 1auw h SER 128 N 0.13 1.01 -0.88 5.81 0.02 -0.18 -2.73 113.55 116.74 1auw h SER 128 Ca 0.06 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1auw h SER 128 Cb 0.31 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1auw h SER 128 CO 0.00 0.87 0.58 -0.07 -1.14 0.00 0.00 176.83 177.07 1auw h LEU 129 N 1.08 1.01 -0.29 5.07 -0.00 0.12 -2.13 115.31 120.17 1auw h LEU 129 Ca 0.26 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1auw h LEU 129 Cb 0.13 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 1auw h LEU 129 CO -0.03 0.73 0.15 0.28 -0.00 0.00 0.00 178.44 179.58 1auw h SER 130 N 1.19 0.37 -0.44 -0.43 0.02 -1.24 0.90 113.55 113.92 1auw h SER 130 Ca 0.32 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1auw h SER 130 Cb -0.13 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1auw h SER 130 CO -0.07 0.37 0.18 0.40 -1.14 0.00 0.00 176.83 176.57 1auw h ILE 131 N 0.35 1.20 -0.82 3.27 2.04 -1.39 -2.29 117.51 119.87 1auw h ILE 131 Ca 0.10 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1auw h ILE 131 Cb 0.08 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1auw h ILE 131 CO -0.02 0.22 0.36 0.40 0.00 0.00 0.00 178.15 179.12 1auw h ILE 132 N 0.57 1.26 -0.56 -0.67 2.04 -1.16 -2.44 117.51 116.55 1auw h ILE 132 Ca 0.15 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1auw h ILE 132 Cb 0.18 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1auw h ILE 132 CO -0.01 0.33 0.32 -1.28 0.00 0.00 0.00 178.15 177.50 1auw h SER 133 N 1.18 0.69 -0.19 1.72 0.87 -0.64 -0.37 113.55 116.81 1auw h SER 133 Ca 0.28 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1auw h SER 133 Cb 0.17 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1auw h SER 133 CO -0.03 0.57 0.09 0.74 -0.53 0.00 0.00 176.83 177.67 1auw h THR 134 N 0.75 0.99 -0.26 2.23 2.02 -1.12 -0.99 112.91 116.53 1auw h THR 134 Ca 0.20 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 1auw h THR 134 Cb 0.02 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1auw h THR 134 CO -0.03 0.04 -0.13 0.45 0.37 0.00 0.00 175.52 176.21 1auw h HIS 135 N 0.19 0.47 0.23 3.16 -0.00 -1.18 -1.54 115.15 116.48 1auw h HIS 135 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1auw h HIS 135 Cb 0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1auw h HIS 135 CO -0.09 0.56 -0.11 1.25 -0.00 0.00 0.00 177.93 179.54 1auw h LEU 136 N 0.41 -0.26 -1.52 2.43 6.46 -0.75 -2.06 115.31 120.02 1auw h LEU 136 Ca 0.08 -0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1auw h LEU 136 Cb 0.48 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1auw h LEU 136 CO 0.03 0.10 0.39 -0.07 -0.62 0.00 0.00 178.44 178.27 1auw h LEU 137 N -0.64 0.52 -0.99 2.25 4.07 -1.09 -0.05 115.31 119.37 1auw h LEU 137 Ca -0.03 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1auw h LEU 137 Cb 0.46 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1auw h LEU 137 CO 0.05 0.34 -0.37 -0.61 -1.08 0.00 0.00 178.44 176.78 1auw h GLN 138 N 0.59 0.26 -0.47 1.13 4.15 -1.15 0.16 115.11 119.78 1auw h GLN 138 Ca 0.25 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1auw h GLN 138 Cb 0.24 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1auw h GLN 138 CO -0.07 0.59 -0.04 1.25 -1.93 0.00 0.00 178.83 178.63 1auw h LEU 139 N 0.22 0.85 0.12 -2.39 6.46 -0.31 -0.79 115.31 119.47 1auw h LEU 139 Ca 0.02 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1auw h LEU 139 Cb 0.75 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1auw h LEU 139 CO 0.06 0.97 -0.06 0.40 -0.62 0.00 0.00 178.44 179.19 1auw h ILE 140 N 0.70 1.01 -0.91 4.05 2.04 -0.71 -1.65 117.51 122.05 1auw h ILE 140 Ca 0.13 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.57 1auw h ILE 140 Cb 0.56 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 1auw h ILE 140 CO 0.03 0.13 0.53 0.50 0.00 0.00 0.00 178.15 179.34 1auw h LYS 141 N -0.41 0.80 -0.79 2.37 3.64 -0.62 0.81 116.57 122.36 1auw h LYS 141 Ca -0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1auw h LYS 141 Cb 0.34 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1auw h LYS 141 CO 0.03 0.53 0.41 1.15 -2.27 0.00 0.00 179.45 179.30 1auw h THR 142 N 0.82 1.24 -0.09 1.00 2.02 -0.91 -0.52 112.91 116.48 1auw h THR 142 Ca 0.46 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1auw h THR 142 Cb 0.52 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1auw h THR 142 CO -0.29 0.27 -0.02 -0.07 0.37 0.00 0.00 175.52 175.79 1auw h LEU 143 N 1.10 0.17 -0.40 2.58 3.38 0.05 -2.21 115.31 119.98 1auw h LEU 143 Ca 0.28 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1auw h LEU 143 Cb 0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1auw h LEU 143 CO -0.04 0.48 0.07 -0.37 0.09 0.00 0.00 178.44 178.67 1auw h VAL 144 N -0.15 1.24 -0.57 1.22 -1.51 -0.92 -1.72 116.25 113.83 1auw h VAL 144 Ca 0.02 -0.86 -0.03 0.00 -1.23 0.00 0.00 66.70 64.60 1auw h VAL 144 Cb 0.41 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1auw h VAL 144 CO 0.01 0.30 0.22 -0.33 -1.23 0.00 0.00 177.57 176.54 1auw h GLU 145 N 0.52 0.83 -0.00 5.19 4.39 -1.13 -0.21 114.58 124.17 1auw h GLU 145 Ca 0.12 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1auw h GLU 145 Cb 0.37 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1auw h GLU 145 CO 0.01 0.69 -0.73 -0.09 -1.16 0.00 0.00 179.01 177.72 1auw h ARG 146 N 0.82 0.03 -0.12 2.33 2.43 -1.34 -2.81 114.38 115.73 1auw h ARG 146 Ca 0.20 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1auw h ARG 146 Cb 0.17 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1auw h ARG 146 CO -0.02 0.75 0.03 0.00 -1.51 0.00 0.00 179.97 179.21 1auw h ALA 147 N 1.25 0.15 0.14 2.80 0.00 -0.30 -1.81 119.26 121.48 1auw h ALA 147 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1auw h ALA 147 Cb 1.29 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1auw h ALA 147 CO 0.10 -0.21 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 1auw h ALA 148 N 0.82 -0.69 -0.79 0.00 0.00 -1.05 -1.86 119.26 115.69 1auw h ALA 148 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1auw h ALA 148 Cb 0.26 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1auw h ALA 148 CO 0.00 -0.95 0.50 0.82 0.00 0.00 0.00 179.25 179.61 1auw h ILE 149 N -0.63 1.08 -0.98 0.00 1.08 -1.49 -2.93 117.51 113.63 1auw h ILE 149 Ca 0.02 -0.32 -0.51 0.00 -0.39 0.00 0.00 64.86 63.66 1auw h ILE 149 Cb 0.65 0.06 -0.30 0.00 -3.07 0.00 0.00 36.82 34.16 1auw h ILE 149 CO -0.22 0.17 0.64 -0.62 -0.69 0.00 0.00 178.15 177.43 1auw n GLU 150 N -4.63 2.24 0.15 2.37 1.02 -0.68 -4.64 120.64 116.47 1auw n GLU 150 Ca 0.10 -3.02 0.11 0.00 -0.02 0.00 0.00 57.16 54.33 1auw n GLU 150 Cb 0.12 -2.17 0.55 0.00 -0.02 0.00 0.00 31.44 29.93 1auw n GLU 150 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1auw n ILE 151 N -1.15 1.03 0.38 -3.67 3.06 -0.72 -1.74 119.36 116.54 1auw n ILE 151 Ca 0.59 0.63 0.12 0.00 -2.50 0.00 0.00 62.75 61.59 1auw n ILE 151 Cb 1.65 -1.62 0.07 0.00 0.54 0.00 0.00 39.64 40.28 1auw n ILE 151 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1auw n ASP 152 N -2.23 0.73 -4.73 9.51 8.00 -1.26 -4.84 116.55 121.73 1auw n ASP 152 Ca -0.01 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1auw n ASP 152 Cb 0.07 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.25 2.95 -0.05 2.53 1.01 -0.71 -4.96 120.40 117.91 1auw s VAL 153 Ca 0.03 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.79 1auw s VAL 153 Cb 0.12 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1auw s VAL 153 CO 0.77 0.09 -0.19 -0.63 0.00 0.00 0.00 175.10 175.13 1auw s ILE 154 N 0.51 1.60 0.34 2.22 1.01 -1.26 -0.73 121.20 124.90 1auw s ILE 154 Ca 0.62 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1auw s ILE 154 Cb -0.40 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1auw s ILE 154 CO 0.36 0.46 0.33 -1.48 0.00 0.00 0.00 174.94 174.61 1auw s LEU 155 N 0.01 1.66 0.47 2.97 2.34 0.27 -4.18 118.68 122.22 1auw s LEU 155 Ca -0.04 -1.74 -0.20 0.00 0.06 0.00 0.00 54.13 52.21 1auw s LEU 155 Cb -0.12 0.74 -0.09 0.00 -0.56 0.00 0.00 46.19 46.16 1auw s LEU 155 CO 0.03 -1.13 0.99 -2.84 -1.06 0.00 0.00 176.35 172.34 1auw s PRO 156 N -3.30 4.00 -0.06 1.48 0.02 -1.26 -1.08 135.00 134.80 1auw s PRO 156 Ca 0.39 1.17 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 1auw s PRO 156 Cb 0.02 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1auw s PRO 156 CO 0.28 -0.24 0.09 0.20 -0.33 0.00 0.00 177.00 177.00 1auw s GLY 157 N -2.30 2.04 -0.03 0.52 0.00 0.16 -4.76 107.32 102.96 1auw s GLY 157 Ca 0.63 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.62 1auw s GLY 157 CO 0.19 -0.59 -0.15 -0.19 0.00 0.00 0.00 173.10 172.36 1auw s TYR 158 N -1.10 2.66 -0.06 1.90 1.51 -1.26 -0.49 117.35 120.51 1auw s TYR 158 Ca 0.19 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1auw s TYR 158 Cb -0.12 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1auw s TYR 158 CO 0.09 0.20 -0.00 0.95 -1.11 0.00 0.00 175.55 175.67 1auw s THR 159 N -0.78 0.36 -1.62 -0.71 -4.23 -0.79 -4.72 115.64 103.15 1auw s THR 159 Ca 0.12 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1auw s THR 159 Cb -0.11 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1auw s THR 159 CO 0.02 0.24 0.00 1.41 -0.54 0.00 0.00 174.62 175.75 1auw n HIS 160 N 4.87 -0.66 -1.24 3.99 8.25 -1.26 -1.29 115.22 127.88 1auw n HIS 160 Ca -0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 1auw n HIS 160 Cb 0.50 -3.44 -0.04 0.00 1.12 0.00 0.00 29.99 28.13 1auw n HIS 160 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1auw n LEU 161 N -2.45 -0.11 -4.66 2.41 4.77 -1.26 -4.97 117.00 110.72 1auw n LEU 161 Ca -0.21 0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1auw n LEU 161 Cb 0.65 -2.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.21 1auw n LEU 161 CO 0.25 -0.93 -0.32 -1.10 -1.33 0.00 0.00 177.39 173.97 1auw s GLN 162 N -2.58 3.00 0.04 3.23 -1.52 -0.41 -5.05 119.66 116.38 1auw s GLN 162 Ca 0.00 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 1auw s GLN 162 Cb 0.00 -2.78 -0.08 0.00 -0.22 0.00 0.00 33.01 29.93 1auw s GLN 162 CO 0.00 0.67 1.75 0.15 -0.25 0.00 0.00 175.29 177.61 1auw s LYS 163 N -0.79 4.17 -0.13 2.91 1.02 -1.26 -1.89 119.74 123.77 1auw s LYS 163 Ca 0.12 2.40 -0.14 0.00 0.02 0.00 0.00 55.97 58.37 1auw s LYS 163 Cb -0.11 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 1auw s LYS 163 CO 0.02 -0.82 -0.28 0.00 -0.92 0.00 0.00 175.35 173.35 1auw n ALA 164 N 6.37 0.97 -3.45 5.17 0.00 0.35 -4.92 120.51 125.00 1auw n ALA 164 Ca 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1auw n ALA 164 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.58 1.36 0.54 0.00 -2.07 -1.23 -4.84 119.66 110.84 1auw s GLN 165 Ca -0.23 -0.63 -0.20 0.00 -1.82 0.00 0.00 55.36 52.48 1auw s GLN 165 Cb 0.03 0.57 -0.06 0.00 -1.09 0.00 0.00 33.01 32.47 1auw s GLN 165 CO 0.34 -0.60 1.16 -2.14 -1.32 0.00 0.00 175.29 172.73 1auw s PRO 166 N -3.80 3.35 0.18 9.60 0.02 -1.26 0.38 135.00 143.47 1auw s PRO 166 Ca 0.04 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 1auw s PRO 166 Cb -0.02 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1auw s PRO 166 CO -0.08 -0.87 0.36 0.96 -0.33 0.00 0.00 177.00 177.04 1auw s ILE 167 N -1.68 0.05 0.14 2.83 -4.36 -0.24 -4.76 121.20 113.17 1auw s ILE 167 Ca 0.72 -1.23 -0.14 0.00 -0.26 0.00 0.00 60.65 59.74 1auw s ILE 167 Cb -0.26 -1.80 -0.07 0.00 1.25 0.00 0.00 42.46 41.58 1auw s ILE 167 CO 0.30 -0.23 0.53 -0.13 0.24 0.00 0.00 174.94 175.65 1auw s ARG 168 N -3.95 3.96 0.47 0.37 0.52 -1.26 -0.57 118.95 118.50 1auw s ARG 168 Ca 0.15 0.47 0.20 0.00 -0.52 0.00 0.00 55.73 56.03 1auw s ARG 168 Cb 0.02 -2.95 1.20 0.00 0.52 0.00 0.00 34.95 33.74 1auw s ARG 168 CO -0.00 0.49 1.95 2.35 0.02 0.00 0.00 175.30 180.11 1auw h TRP 169 N 3.62 0.28 -0.10 -0.53 2.91 -1.21 -0.38 115.95 120.54 1auw h TRP 169 Ca -0.49 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.46 1auw h TRP 169 Cb 1.19 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.74 1auw h TRP 169 CO 0.65 0.11 -0.30 0.77 -1.03 0.00 0.00 178.44 178.64 1auw h SER 170 N 0.24 0.18 -0.22 2.65 0.02 -1.79 -1.36 113.55 113.27 1auw h SER 170 Ca 0.33 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 1auw h SER 170 Cb 0.94 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1auw h SER 170 CO -0.07 0.48 -0.29 -0.61 -1.14 0.00 0.00 176.83 175.20 1auw h GLN 171 N 0.16 0.72 0.11 3.45 5.75 -1.44 -0.23 115.11 123.62 1auw h GLN 171 Ca 0.02 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1auw h GLN 171 Cb 0.61 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1auw h GLN 171 CO 0.04 0.92 -0.05 0.35 -2.65 0.00 0.00 178.83 177.44 1auw h PHE 172 N 0.61 -0.13 -0.91 3.99 3.57 -1.36 -2.05 116.94 120.65 1auw h PHE 172 Ca 0.07 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1auw h PHE 172 Cb 0.80 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1auw h PHE 172 CO 0.04 0.19 0.59 -0.07 -2.23 0.00 0.00 178.31 176.84 1auw h LEU 173 N -0.47 0.99 -1.25 0.59 3.38 -1.19 -2.70 115.31 114.65 1auw h LEU 173 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1auw h LEU 173 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1auw h LEU 173 CO 0.02 0.68 -0.25 -0.07 0.09 0.00 0.00 178.44 178.91 1auw h LEU 174 N 1.15 0.19 -1.00 1.67 3.38 -0.99 -2.48 115.31 117.25 1auw h LEU 174 Ca 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1auw h LEU 174 Cb -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1auw h LEU 174 CO -0.12 0.45 0.28 0.77 0.09 0.00 0.00 178.44 179.92 1auw h SER 175 N 0.18 0.92 -0.12 -0.43 4.64 -1.03 0.25 113.55 117.96 1auw h SER 175 Ca 0.03 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1auw h SER 175 Cb 0.55 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1auw h SER 175 CO 0.04 0.81 -0.11 0.45 -0.87 0.00 0.00 176.83 177.15 1auw h HIS 176 N 0.98 0.34 -0.43 4.77 3.86 -1.52 -2.77 115.15 120.38 1auw h HIS 176 Ca 0.23 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1auw h HIS 176 Cb 0.18 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 1auw h HIS 176 CO 0.01 0.68 0.18 0.00 0.86 0.00 0.00 177.93 179.67 1auw h ALA 177 N 0.60 0.53 -0.83 2.45 0.00 -1.11 -1.21 119.26 119.68 1auw h ALA 177 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1auw h ALA 177 Cb 0.62 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1auw h ALA 177 CO 0.03 -0.20 0.53 0.28 0.00 0.00 0.00 179.25 179.89 1auw h VAL 178 N 0.37 1.13 -0.32 0.00 2.07 -0.50 -1.21 116.25 117.78 1auw h VAL 178 Ca 0.20 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1auw h VAL 178 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1auw h VAL 178 CO -0.17 0.19 0.08 0.00 0.02 0.00 0.00 177.57 177.69 1auw h ALA 179 N 1.35 0.42 0.00 1.67 0.00 -1.12 -2.55 119.26 119.03 1auw h ALA 179 Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1auw h ALA 179 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1auw h ALA 179 CO -0.12 0.08 -0.04 -0.07 0.00 0.00 0.00 179.25 179.10 1auw h LEU 180 N 0.36 0.00 -1.22 0.00 3.38 -0.68 -1.91 115.31 115.24 1auw h LEU 180 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1auw h LEU 180 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1auw h LEU 180 CO 0.00 0.04 -0.14 0.00 0.09 0.00 0.00 178.44 178.42 1auw h THR 181 N 0.00 1.21 0.00 0.22 1.03 -0.81 -1.16 112.91 113.41 1auw h THR 181 Ca -0.00 -0.95 -0.06 0.00 -0.01 0.00 0.00 66.41 65.39 1auw h THR 181 Cb 0.07 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 1auw h THR 181 CO 0.01 0.30 -0.29 0.03 -0.01 0.00 0.00 175.52 175.55 1auw h ARG 182 N 0.34 0.00 -0.17 0.00 3.08 -1.27 -1.97 114.38 114.38 1auw h ARG 182 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1auw h ARG 182 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1auw h ARG 182 CO 0.03 0.29 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.59 1auw h ASP 183 N 0.00 0.46 -0.64 7.04 3.32 -1.13 -0.97 116.42 124.51 1auw h ASP 183 Ca -0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1auw h ASP 183 Cb 0.83 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1auw h ASP 183 CO 0.04 0.86 0.34 0.28 -1.72 0.00 0.00 179.24 179.03 1auw h SER 184 N 0.08 0.82 -0.24 6.45 0.02 -1.18 0.60 113.55 120.11 1auw h SER 184 Ca 0.03 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1auw h SER 184 Cb 0.73 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1auw h SER 184 CO 0.05 0.68 0.11 -0.08 -1.14 0.00 0.00 176.83 176.45 1auw h GLU 185 N 0.92 0.34 -0.63 3.45 4.81 -1.19 -1.34 114.58 120.94 1auw h GLU 185 Ca 0.23 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1auw h GLU 185 Cb 0.06 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1auw h GLU 185 CO -0.03 0.34 0.16 0.00 -0.73 0.00 0.00 179.01 178.75 1auw h ARG 186 N 0.25 0.98 -0.52 1.92 3.08 -0.62 -2.60 114.38 116.87 1auw h ARG 186 Ca 0.08 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1auw h ARG 186 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1auw h ARG 186 CO -0.01 0.87 0.26 1.25 -1.07 0.00 0.00 179.97 181.27 1auw h LEU 187 N 0.94 0.37 -0.94 3.04 6.46 -0.58 0.12 115.31 124.72 1auw h LEU 187 Ca 0.20 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1auw h LEU 187 Cb 0.32 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 1auw h LEU 187 CO -0.00 0.25 0.62 1.23 -0.62 0.00 0.00 178.44 179.92 1auw h GLY 188 N 0.51 1.36 0.94 3.75 0.00 -0.88 0.82 103.07 109.56 1auw h GLY 188 Ca 0.23 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1auw h GLY 188 CO -0.17 0.43 -0.07 0.83 0.00 0.00 0.00 176.54 177.56 1auw h GLU 189 N 1.22 0.68 -0.16 4.80 5.08 -1.02 -2.39 114.58 122.78 1auw h GLU 189 Ca 0.36 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1auw h GLU 189 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1auw h GLU 189 CO -0.10 0.83 0.11 0.28 -1.00 0.00 0.00 179.01 179.12 1auw h VAL 190 N 0.48 1.05 -0.28 3.13 2.07 -0.50 -1.73 116.25 120.46 1auw h VAL 190 Ca 0.09 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1auw h VAL 190 Cb 0.57 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1auw h VAL 190 CO 0.03 0.05 0.20 0.50 0.02 0.00 0.00 177.57 178.37 1auw h LYS 191 N 0.22 0.00 -0.11 1.57 3.64 -0.74 -1.50 116.57 119.65 1auw h LYS 191 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1auw h LYS 191 Cb -0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1auw h LYS 191 CO -0.01 0.00 0.00 0.87 -2.27 0.00 0.00 179.45 178.04 1auw h LYS 192 N 0.00 0.19 0.00 1.90 1.57 -0.79 -2.46 116.57 116.97 1auw h LYS 192 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1auw h LYS 192 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1auw h LYS 192 CO -0.00 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 1auw h ARG 193 N -0.08 0.00 0.00 3.15 3.08 -1.10 -2.74 114.38 116.70 1auw h ARG 193 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1auw h ARG 193 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1auw h ARG 193 CO 0.00 0.00 -0.72 0.82 -1.07 0.00 0.00 179.97 179.00 1auw h ILE 194 N 0.00 0.62 -0.25 2.04 2.04 -1.28 -3.35 117.51 117.32 1auw h ILE 194 Ca 0.00 -1.95 -0.20 0.00 1.00 0.00 0.00 64.86 63.71 1auw h ILE 194 Cb 0.55 2.21 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 1auw h ILE 194 CO 0.00 0.35 0.00 -3.20 0.00 0.00 0.00 178.15 175.31 1auw n ASN 195 N -3.09 5.69 -3.99 1.72 5.15 -0.94 -4.73 115.26 115.08 1auw n ASN 195 Ca -0.01 -2.68 -0.30 0.00 -0.60 0.00 0.00 54.58 51.00 1auw n ASN 195 Cb 0.73 -1.23 -0.16 0.00 -0.53 0.00 0.00 39.78 38.58 1auw n ASN 195 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1auw s VAL 196 N -0.43 1.52 0.03 3.44 1.01 -1.26 -2.02 120.40 122.69 1auw s VAL 196 Ca 0.38 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1auw s VAL 196 Cb 0.21 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 1auw s VAL 196 CO -0.04 0.29 1.44 -0.22 0.00 0.00 0.00 175.10 176.57 1auw s LEU 197 N 1.48 4.33 -0.01 3.92 2.96 0.32 -4.75 118.68 126.92 1auw s LEU 197 Ca 0.02 2.20 0.19 0.00 -0.22 0.00 0.00 54.13 56.32 1auw s LEU 197 Cb -0.15 -3.56 -0.26 0.00 0.50 0.00 0.00 46.19 42.72 1auw s LEU 197 CO -0.09 -0.73 0.60 -0.81 -1.32 0.00 0.00 176.35 173.99 1auw n PRO 198 N 5.21 0.66 -1.70 0.98 -0.04 -1.26 -0.26 135.00 138.58 1auw n PRO 198 Ca 0.13 -0.10 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 1auw n PRO 198 Cb 0.43 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1auw n PRO 198 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1auw n LEU 199 N -1.85 4.31 0.00 1.53 7.94 -1.26 -2.74 117.00 124.92 1auw n LEU 199 Ca -0.00 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1auw n LEU 199 Cb 0.41 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1auw n LEU 199 CO 0.40 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.54 1auw n GLY 200 N 0.84 0.78 0.36 -3.96 0.00 -1.26 -4.95 105.19 97.00 1auw n GLY 200 Ca 0.08 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.25 1.51 0.00 1.61 7.64 -1.11 -2.60 113.62 120.92 1auw n SER 201 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1auw n SER 201 Cb 0.00 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 1.38 0.60 0.13 0.23 0.00 -1.25 -1.69 105.19 104.59 1auw n GLY 202 Ca 0.11 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.79 0.61 0.00 4.61 0.00 -1.85 -3.31 119.26 118.53 1auw h ALA 203 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1auw h ALA 203 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1auw h ALA 203 CO 0.00 0.20 0.00 -0.11 0.00 0.00 0.00 179.25 179.34 1auw n LEU 204 N -2.80 0.00 -0.06 0.00 0.00 -1.25 -4.88 117.00 108.01 1auw n LEU 204 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.11 1auw n LEU 204 Cb 0.61 0.24 0.11 0.00 0.00 0.00 0.00 43.42 44.38 1auw n LEU 204 CO 0.40 -0.24 0.28 0.00 0.00 0.00 0.00 177.39 177.83 1auw n ALA 205 N -2.03 3.94 0.00 1.96 0.00 -1.26 -3.24 120.51 119.87 1auw n ALA 205 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1auw n ALA 205 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.48 1.01 3.67 0.00 0.00 -0.68 -4.89 105.19 105.77 1auw n GLY 206 Ca 0.06 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 0.00 6.94 0.60 1.61 2.47 -1.07 -3.75 114.94 121.74 1auw s ASN 207 Ca 0.00 1.16 0.39 0.00 0.42 0.00 0.00 52.86 54.83 1auw s ASN 207 Cb 0.00 -2.45 1.86 0.00 -1.45 0.00 0.00 41.25 39.21 1auw s ASN 207 CO 0.00 -0.41 2.16 1.55 -3.72 0.00 0.00 177.10 176.68 1auw h PRO 208 N 7.37 0.00 -0.50 0.43 0.13 -1.93 -3.01 132.00 134.48 1auw h PRO 208 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1auw h PRO 208 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1auw h PRO 208 CO 0.84 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.89 1auw n LEU 209 N -3.06 2.63 -3.87 1.56 4.77 -1.26 -4.93 117.00 112.84 1auw n LEU 209 Ca -0.01 -1.32 -0.29 0.00 -0.03 0.00 0.00 56.01 54.36 1auw n LEU 209 Cb 0.19 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1auw n LEU 209 CO 0.23 0.56 -0.17 -0.67 -1.33 0.00 0.00 177.39 176.01 1auw n ASP 210 N 0.68 -2.42 -4.80 -1.43 2.03 -1.14 -4.92 116.55 104.55 1auw n ASP 210 Ca 0.15 -1.04 -0.31 0.00 0.52 0.00 0.00 54.79 54.11 1auw n ASP 210 Cb 0.46 -3.04 0.08 0.00 -0.72 0.00 0.00 41.12 37.90 1auw n ASP 210 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1auw s ILE 211 N -3.75 3.50 -0.72 5.18 2.07 -1.26 -4.99 121.20 121.24 1auw s ILE 211 Ca 0.22 0.49 -0.19 0.00 -1.41 0.00 0.00 60.65 59.75 1auw s ILE 211 Cb -0.09 -3.19 0.12 0.00 0.13 0.00 0.00 42.46 39.44 1auw s ILE 211 CO 0.89 -0.64 0.87 -0.62 -1.91 0.00 0.00 174.94 173.53 1auw s ASP 212 N -3.76 6.36 0.40 4.50 2.15 -1.26 -4.89 116.67 120.16 1auw s ASP 212 Ca 0.60 -1.66 0.10 0.00 0.43 0.00 0.00 52.55 52.02 1auw s ASP 212 Cb -0.15 -2.34 0.83 0.00 -0.30 0.00 0.00 42.92 40.96 1auw s ASP 212 CO 0.55 -1.10 1.94 0.03 -0.17 0.00 0.00 175.17 176.42 1auw h ARG 213 N 9.00 0.23 -0.88 4.34 3.08 -1.94 -2.39 114.38 125.84 1auw h ARG 213 Ca -0.13 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1auw h ARG 213 Cb 1.06 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 1auw h ARG 213 CO 1.08 0.34 0.58 1.49 -1.07 0.00 0.00 179.97 182.39 1auw h GLU 214 N 0.23 1.13 -0.28 0.04 4.22 -1.99 0.15 114.58 118.08 1auw h GLU 214 Ca 0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 1auw h GLU 214 Cb 0.32 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1auw h GLU 214 CO 0.02 0.75 0.03 1.98 -2.18 0.00 0.00 179.01 179.60 1auw h MET 215 N 1.17 0.48 -0.69 1.92 4.05 -1.85 -1.89 114.93 118.11 1auw h MET 215 Ca 0.33 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1auw h MET 215 Cb -0.10 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.61 1auw h MET 215 CO -0.08 0.61 0.42 -0.07 0.23 0.00 0.00 176.91 178.02 1auw h LEU 216 N 0.28 0.69 0.59 3.39 3.38 -1.14 -0.47 115.31 122.03 1auw h LEU 216 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1auw h LEU 216 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1auw h LEU 216 CO 0.01 0.47 -0.47 -0.09 0.09 0.00 0.00 178.44 178.45 1auw h ARG 217 N 0.82 -0.99 -0.82 1.13 2.43 -0.50 -0.78 114.38 115.68 1auw h ARG 217 Ca 0.28 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 1auw h ARG 217 Cb 0.05 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 1auw h ARG 217 CO -0.12 -0.66 0.54 0.77 -1.51 0.00 0.00 179.97 178.99 1auw h SER 218 N -1.02 0.60 -0.35 -3.80 0.02 -1.15 0.37 113.55 108.21 1auw h SER 218 Ca -0.08 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1auw h SER 218 Cb 0.85 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1auw h SER 218 CO 0.01 0.32 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.62 1auw h GLU 219 N 0.64 0.67 -0.01 3.45 4.39 -0.72 -3.13 114.58 119.88 1auw h GLU 219 Ca 0.40 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1auw h GLU 219 Cb 0.65 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1auw h GLU 219 CO -0.16 0.83 -0.30 1.28 -1.16 0.00 0.00 179.01 179.49 1auw n LEU 220 N -4.42 0.95 -1.06 1.33 4.77 -0.33 -4.96 117.00 113.27 1auw n LEU 220 Ca -0.02 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.64 1auw n LEU 220 Cb 0.33 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1auw n LEU 220 CO 0.41 0.18 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.92 1auw n GLU 221 N -0.79 -0.78 -1.94 3.23 1.02 0.12 -5.04 120.64 116.47 1auw n GLU 221 Ca 0.11 0.44 -0.31 0.00 -0.02 0.00 0.00 57.16 57.38 1auw n GLU 221 Cb 0.35 -4.45 0.01 0.00 -0.02 0.00 0.00 31.44 27.32 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 -2.47 3.43 -0.19 -0.32 0.08 -0.86 -4.97 117.98 112.68 1auw s PHE 222 Ca 0.00 1.37 0.17 0.00 0.12 0.00 0.00 56.93 58.60 1auw s PHE 222 Cb -0.00 -2.79 0.04 0.00 -0.57 0.00 0.00 43.02 39.69 1auw s PHE 222 CO 0.00 -0.76 1.24 0.00 -0.10 0.00 0.00 175.22 175.61 1auw h ALA 223 N -0.06 0.69 -2.26 5.36 0.00 -1.75 -3.43 119.26 117.81 1auw h ALA 223 Ca -0.45 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1auw h ALA 223 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1auw h ALA 223 CO 0.60 0.55 0.12 -1.13 0.00 0.00 0.00 179.25 179.40 1auw n SER 224 N -3.05 -0.78 -4.30 0.00 3.41 -1.15 -5.05 113.62 102.71 1auw n SER 224 Ca -0.01 -1.51 -0.21 0.00 -0.26 0.00 0.00 58.87 56.87 1auw n SER 224 Cb 0.72 1.29 -0.11 0.00 -0.26 0.00 0.00 64.21 65.84 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 -2.61 1.68 0.22 -1.33 -4.36 -1.26 -0.52 121.20 113.02 1auw s ILE 225 Ca 0.06 -1.78 -0.31 0.00 -0.26 0.00 0.00 60.65 58.37 1auw s ILE 225 Cb -0.02 -1.70 -0.11 0.00 1.25 0.00 0.00 42.46 41.89 1auw s ILE 225 CO 0.04 -0.27 1.56 -0.94 0.24 0.00 0.00 174.94 175.57 1auw s SER 226 N -2.43 6.52 0.21 4.36 1.04 0.65 -4.80 113.70 119.26 1auw s SER 226 Ca 0.12 2.75 0.01 0.00 0.48 0.00 0.00 55.95 59.31 1auw s SER 226 Cb -0.07 -2.61 0.18 0.00 0.10 0.00 0.00 66.02 63.62 1auw s SER 226 CO 0.05 -0.83 1.52 -0.07 0.98 0.00 0.00 173.24 174.89 1auw h LEU 227 N 5.86 0.41 -7.94 2.42 3.38 -2.00 -3.45 115.31 114.00 1auw h LEU 227 Ca -0.45 -0.24 -0.48 0.00 0.09 0.00 0.00 57.88 56.81 1auw h LEU 227 Cb 1.21 -0.12 -0.33 0.00 0.09 0.00 0.00 40.66 41.51 1auw h LEU 227 CO 0.85 0.92 -0.80 0.21 0.09 0.00 0.00 178.44 179.71 1auw s ASN 228 N -6.92 1.53 0.08 -0.43 3.84 -1.26 -5.06 114.94 106.73 1auw s ASN 228 Ca -0.05 -0.25 -0.21 0.00 0.21 0.00 0.00 52.86 52.56 1auw s ASN 228 Cb 0.11 -0.67 -0.11 0.00 -0.55 0.00 0.00 41.25 40.03 1auw s ASN 228 CO 0.82 0.02 1.61 0.77 -2.79 0.00 0.00 177.10 177.53 1auw h SER 229 N 6.91 0.20 -0.40 -4.21 4.64 -1.86 -1.28 113.55 117.55 1auw h SER 229 Ca -0.33 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1auw h SER 229 Cb 1.18 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1auw h SER 229 CO 0.48 0.32 0.13 0.24 -0.87 0.00 0.00 176.83 177.13 1auw h MET 230 N 0.07 0.27 0.12 4.77 2.86 -1.89 -2.22 114.93 118.92 1auw h MET 230 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1auw h MET 230 Cb 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1auw h MET 230 CO -0.00 0.18 -0.06 0.22 1.06 0.00 0.00 176.91 178.31 1auw h ASP 231 N 0.28 -0.14 -0.94 1.22 3.58 -1.90 -2.71 116.42 115.81 1auw h ASP 231 Ca 0.19 -0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.70 1auw h ASP 231 Cb 0.19 0.04 -0.10 0.00 1.72 0.00 0.00 39.33 41.18 1auw h ASP 231 CO -0.21 0.00 0.54 0.00 -2.88 0.00 0.00 179.24 176.70 1auw h ALA 232 N 0.58 1.47 0.00 -0.78 0.00 -0.83 0.51 119.26 120.21 1auw h ALA 232 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1auw h ALA 232 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1auw h ALA 232 CO 0.03 -0.02 -0.57 -0.84 0.00 0.00 0.00 179.25 177.86 1auw h ILE 233 N 0.75 0.00 0.00 0.00 -0.00 -1.40 -3.38 117.51 113.49 1auw h ILE 233 Ca 0.52 -0.84 0.00 0.00 -0.00 0.00 0.00 64.86 64.53 1auw h ILE 233 Cb 0.72 1.54 0.00 0.00 -0.00 0.00 0.00 36.82 39.08 1auw h ILE 233 CO -0.35 0.00 -1.26 -1.54 -0.00 0.00 0.00 178.15 174.99 1auw n SER 234 N -2.63 0.88 -4.82 2.16 3.41 -0.61 -4.90 113.62 107.09 1auw n SER 234 Ca 0.02 -0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 57.77 1auw n SER 234 Cb 0.51 1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 65.77 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 -2.89 4.12 -0.15 4.33 4.04 0.07 -4.97 118.70 123.25 1auw s GLU 235 Ca 0.01 0.66 0.16 0.00 0.04 0.00 0.00 54.97 55.84 1auw s GLU 235 Cb 0.12 -3.06 0.43 0.00 0.02 0.00 0.00 34.13 31.64 1auw s GLU 235 CO 0.72 0.54 1.20 0.54 -1.84 0.00 0.00 175.26 176.41 1auw n ARG 236 N 1.20 1.22 -0.05 -4.83 5.12 -1.26 -4.84 116.66 113.22 1auw n ARG 236 Ca -0.07 -2.96 -0.08 0.00 -1.93 0.00 0.00 57.85 52.81 1auw n ARG 236 Cb 0.51 -1.16 -0.02 0.00 -1.16 0.00 0.00 32.46 30.64 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 1.12 -0.35 -0.43 0.55 5.19 -1.99 -0.98 116.42 119.53 1auw h ASP 237 Ca -0.05 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.57 1auw h ASP 237 Cb 1.32 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 41.01 1auw h ASP 237 CO 0.08 -0.14 0.50 2.19 -3.12 0.00 0.00 179.24 178.76 1auw h PHE 238 N -0.08 0.00 0.02 4.55 -0.00 -1.92 0.18 116.94 119.70 1auw h PHE 238 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 58.03 1auw h PHE 238 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.20 1auw h PHE 238 CO -0.27 0.00 -0.32 0.28 -0.00 0.00 0.00 178.31 178.00 1auw h VAL 239 N 0.00 1.63 -0.14 0.88 2.07 -1.58 -2.90 116.25 116.20 1auw h VAL 239 Ca 0.21 -2.36 0.03 0.00 0.82 0.00 0.00 66.70 65.40 1auw h VAL 239 Cb 1.21 3.21 -0.03 0.00 -1.52 0.00 0.00 31.29 34.16 1auw h VAL 239 CO -0.00 0.59 -0.04 0.58 0.02 0.00 0.00 177.57 178.72 1auw h VAL 240 N -0.89 0.84 -0.45 2.57 2.07 -0.35 0.29 116.25 120.34 1auw h VAL 240 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1auw h VAL 240 Cb 1.16 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1auw h VAL 240 CO -0.00 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 177.41 1auw h GLU 241 N -0.01 0.31 -0.84 1.57 5.08 -0.89 0.22 114.58 120.02 1auw h GLU 241 Ca 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1auw h GLU 241 Cb 0.12 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1auw h GLU 241 CO -0.15 0.21 0.41 0.35 -1.00 0.00 0.00 179.01 178.82 1auw h PHE 242 N 0.32 1.21 -0.47 4.33 3.57 -1.24 -1.55 116.94 123.11 1auw h PHE 242 Ca 0.21 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1auw h PHE 242 Cb 0.21 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1auw h PHE 242 CO -0.16 0.87 0.02 -0.07 -2.23 0.00 0.00 178.31 176.75 1auw h LEU 243 N 1.20 0.79 -0.29 0.59 3.38 0.22 -0.83 115.31 120.37 1auw h LEU 243 Ca 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1auw h LEU 243 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1auw h LEU 243 CO -0.04 0.89 0.11 0.28 0.09 0.00 0.00 178.44 179.77 1auw h SER 244 N 0.67 0.41 -0.30 -0.43 0.02 -0.41 -0.28 113.55 113.23 1auw h SER 244 Ca 0.14 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1auw h SER 244 Cb 0.47 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1auw h SER 244 CO 0.02 0.48 0.08 0.15 -1.14 0.00 0.00 176.83 176.42 1auw h PHE 245 N 0.32 0.14 -0.65 3.45 3.57 -1.22 -0.79 116.94 121.75 1auw h PHE 245 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1auw h PHE 245 Cb 0.21 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1auw h PHE 245 CO -0.00 0.05 0.40 0.00 -2.23 0.00 0.00 178.31 176.53 1auw h ALA 246 N 1.21 1.48 -0.17 2.41 0.00 -0.85 -1.57 119.26 121.77 1auw h ALA 246 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1auw h ALA 246 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1auw h ALA 246 CO -0.16 0.46 -0.09 1.15 0.00 0.00 0.00 179.25 180.61 1auw h THR 247 N 0.90 1.31 -0.62 0.00 2.02 -0.24 -1.00 112.91 115.28 1auw h THR 247 Ca 0.24 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1auw h THR 247 Cb -0.05 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1auw h THR 247 CO -0.05 0.34 0.12 0.25 0.37 0.00 0.00 175.52 176.55 1auw h LEU 248 N 0.04 0.95 -0.47 2.58 6.46 -1.01 -0.16 115.31 123.69 1auw h LEU 248 Ca 0.04 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1auw h LEU 248 Cb 0.57 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1auw h LEU 248 CO 0.03 0.94 0.29 0.25 -0.62 0.00 0.00 178.44 179.32 1auw h LEU 249 N 0.94 0.56 -1.31 2.25 5.85 -1.22 -1.03 115.31 121.36 1auw h LEU 249 Ca 0.19 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1auw h LEU 249 Cb 0.39 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1auw h LEU 249 CO 0.01 0.45 -0.34 0.24 -0.34 0.00 0.00 178.44 178.46 1auw h MET 250 N 0.63 0.00 -0.44 1.25 2.86 -0.64 -1.56 114.93 117.02 1auw h MET 250 Ca 0.17 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1auw h MET 250 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1auw h MET 250 CO -0.03 0.34 -0.04 0.82 1.06 0.00 0.00 176.91 179.05 1auw h ILE 251 N 0.00 1.27 -0.41 -1.22 1.08 -0.35 0.32 117.51 118.20 1auw h ILE 251 Ca -0.00 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1auw h ILE 251 Cb 0.63 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 1auw h ILE 251 CO 0.04 0.38 0.25 0.45 -0.69 0.00 0.00 178.15 178.59 1auw h HIS 252 N 0.65 0.47 -0.11 1.37 3.86 -0.67 -1.62 115.15 119.11 1auw h HIS 252 Ca 0.12 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 1auw h HIS 252 Cb 0.56 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1auw h HIS 252 CO 0.04 0.28 -0.47 -0.07 0.86 0.00 0.00 177.93 178.58 1auw h LEU 253 N 0.51 0.29 -0.97 2.43 3.38 -1.13 -2.34 115.31 117.48 1auw h LEU 253 Ca 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1auw h LEU 253 Cb -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1auw h LEU 253 CO -0.07 0.72 0.20 0.77 0.09 0.00 0.00 178.44 180.15 1auw h SER 254 N 0.22 0.88 -0.39 -0.43 4.64 -0.40 0.19 113.55 118.26 1auw h SER 254 Ca 0.01 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 1auw h SER 254 Cb 0.91 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1auw h SER 254 CO 0.07 0.82 -0.23 0.50 -0.87 0.00 0.00 176.83 177.13 1auw h LYS 255 N 0.92 0.89 -0.44 4.77 3.64 -1.12 -0.98 116.57 124.25 1auw h LYS 255 Ca 0.21 -0.38 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1auw h LYS 255 Cb 0.26 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1auw h LYS 255 CO -0.01 1.03 -0.26 1.98 -2.27 0.00 0.00 179.45 179.92 1auw h MET 256 N 0.77 0.93 -0.18 1.90 4.05 -0.86 -2.41 114.93 119.14 1auw h MET 256 Ca 0.10 -0.42 -0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1auw h MET 256 Cb 0.78 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1auw h MET 256 CO 0.06 1.08 0.10 0.00 0.23 0.00 0.00 176.91 178.38 1auw h ALA 257 N 0.90 0.23 -0.05 0.39 0.00 -0.45 -1.78 119.26 118.50 1auw h ALA 257 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1auw h ALA 257 Cb 0.83 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1auw h ALA 257 CO 0.07 -0.23 -0.22 1.49 0.00 0.00 0.00 179.25 180.36 1auw h GLU 258 N 0.18 -0.30 0.19 0.00 4.57 -1.12 0.34 114.58 118.44 1auw h GLU 258 Ca 0.06 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1auw h GLU 258 Cb 0.07 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1auw h GLU 258 CO -0.01 -0.20 -0.47 -0.44 -1.18 0.00 0.00 179.01 176.71 1auw h ASP 259 N -0.31 -1.38 0.16 1.04 3.32 -1.26 -1.21 116.42 116.78 1auw h ASP 259 Ca 0.08 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1auw h ASP 259 Cb 0.42 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 1auw h ASP 259 CO -0.23 -0.54 -0.10 -0.07 -1.72 0.00 0.00 179.24 176.57 1auw h LEU 260 N -0.75 0.00 -0.14 1.55 3.38 -1.10 0.22 115.31 118.47 1auw h LEU 260 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1auw h LEU 260 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1auw h LEU 260 CO -0.23 0.10 -0.22 0.40 0.09 0.00 0.00 178.44 178.58 1auw h ILE 261 N 0.00 1.36 -0.46 1.22 2.04 -0.47 -2.15 117.51 119.06 1auw h ILE 261 Ca -0.00 -1.45 -0.09 0.00 1.00 0.00 0.00 64.86 64.32 1auw h ILE 261 Cb 0.20 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1auw h ILE 261 CO 0.01 0.43 -0.05 0.40 0.00 0.00 0.00 178.15 178.95 1auw h ILE 262 N 0.00 1.27 0.00 -0.67 2.04 -0.32 -2.89 117.51 116.94 1auw h ILE 262 Ca 0.01 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1auw h ILE 262 Cb 0.79 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1auw h ILE 262 CO 0.05 0.39 -0.01 1.88 0.00 0.00 0.00 178.15 180.46 1auw h TYR 263 N 0.69 0.00 -0.64 1.37 -1.99 -0.62 -2.90 116.97 112.87 1auw h TYR 263 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1auw h TYR 263 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1auw h TYR 263 CO 0.04 0.01 0.00 -1.13 -0.00 0.00 0.00 178.16 177.09 1auw n SER 264 N -3.11 3.51 -4.84 3.88 3.41 -0.81 -1.17 113.62 114.49 1auw n SER 264 Ca 0.00 -2.03 -0.32 0.00 -0.26 0.00 0.00 58.87 56.26 1auw n SER 264 Cb 0.28 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.19 4.37 0.25 6.66 -4.23 -1.10 -4.81 115.64 115.59 1auw s THR 265 Ca 0.43 0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 61.85 1auw s THR 265 Cb 0.23 -3.65 0.24 0.00 1.34 0.00 0.00 72.50 70.66 1auw s THR 265 CO 0.29 -0.83 1.90 0.28 -0.54 0.00 0.00 174.62 175.72 1auw h SER 266 N 0.17 1.03 -0.63 3.99 0.02 -1.92 0.33 113.55 116.55 1auw h SER 266 Ca -0.45 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1auw h SER 266 Cb 1.20 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 1auw h SER 266 CO 0.60 0.71 0.25 -0.33 -1.14 0.00 0.00 176.83 176.91 1auw h GLU 267 N 1.20 0.42 0.00 3.45 3.07 -1.92 -3.10 114.58 117.70 1auw h GLU 267 Ca 0.38 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 1auw h GLU 267 Cb 0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1auw h GLU 267 CO -0.12 0.28 -0.55 0.74 -1.40 0.00 0.00 179.01 177.96 1auw h PHE 268 N 0.43 0.00 -2.42 4.33 -1.00 -1.67 -3.48 116.94 113.13 1auw h PHE 268 Ca 0.32 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.72 1auw h PHE 268 Cb 0.39 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.91 1auw h PHE 268 CO -0.16 1.03 -0.46 0.41 -1.61 0.00 0.00 178.31 177.52 1auw n GLY 269 N 1.55 -0.09 0.11 -1.45 0.00 0.11 -4.90 105.19 100.53 1auw n GLY 269 Ca -0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.00 -3.05 1.61 0.04 -1.39 -3.44 116.94 110.70 1auw h PHE 270 Ca -0.44 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.37 1auw h PHE 270 Cb 1.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.42 1auw h PHE 270 CO 0.50 0.75 0.22 -0.48 -0.60 0.00 0.00 178.31 178.70 1auw s LEU 271 N -6.99 -0.14 -0.00 1.54 0.05 -1.18 -0.94 118.68 111.01 1auw s LEU 271 Ca 0.01 -0.78 -0.00 0.00 0.05 0.00 0.00 54.13 53.40 1auw s LEU 271 Cb 0.11 2.69 0.00 0.00 -2.05 0.00 0.00 46.19 46.94 1auw s LEU 271 CO 0.78 -1.43 0.01 -0.89 -0.55 0.00 0.00 176.35 174.27 1auw s THR 272 N -3.49 -0.01 0.69 5.48 2.01 0.48 -4.42 115.64 116.38 1auw s THR 272 Ca 0.13 0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 1auw s THR 272 Cb -0.05 -0.02 0.00 0.00 0.01 0.00 0.00 72.50 72.43 1auw s THR 272 CO 0.08 0.01 1.08 -1.81 -0.69 0.00 0.00 174.62 173.29 1auw s ASP 273 N 0.13 5.63 0.50 3.53 1.01 -1.26 -0.83 116.67 125.38 1auw s ASP 273 Ca -0.01 1.24 -0.19 0.00 0.71 0.00 0.00 52.55 54.29 1auw s ASP 273 Cb -0.02 -2.11 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 1auw s ASP 273 CO -0.00 -1.24 1.02 -0.55 0.21 0.00 0.00 175.17 174.61 1auw s SER 274 N -4.27 6.39 0.62 0.27 0.15 -1.25 -4.84 113.70 110.76 1auw s SER 274 Ca 0.57 1.83 0.36 0.00 0.70 0.00 0.00 55.95 59.41 1auw s SER 274 Cb -0.11 -2.55 2.04 0.00 -1.71 0.00 0.00 66.02 63.69 1auw s SER 274 CO 0.53 -0.75 2.29 0.44 1.20 0.00 0.00 173.24 176.95 1auw h ASP 275 N 1.36 0.00 1.19 5.45 5.19 -1.93 -0.42 116.42 127.27 1auw h ASP 275 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1auw h ASP 275 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1auw h ASP 275 CO 0.59 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 1auw h ALA 276 N 1.99 1.00 0.00 3.45 0.00 -1.99 -3.22 119.26 120.49 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 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1auw h ALA 276 CO 0.00 0.00 -0.13 1.19 0.00 0.00 0.00 179.25 180.31 1auw n PHE 277 N -2.77 0.00 -4.04 0.00 3.72 -0.18 -5.04 117.46 109.14 1auw n PHE 277 Ca 0.02 -0.97 -0.11 0.00 -0.05 0.00 0.00 57.45 56.35 1auw n PHE 277 Cb 0.35 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 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 -2.74 0.18 -0.00 4.37 1.04 -1.11 -3.09 113.70 112.34 1auw s SER 278 Ca 0.30 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.65 1auw s SER 278 Cb 0.27 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 1auw s SER 278 CO 0.01 -1.15 -0.16 -0.89 0.98 0.00 0.00 173.24 172.03 1auw s THR 279 N -3.77 1.24 0.00 2.02 2.01 -0.35 -4.86 115.64 111.94 1auw s THR 279 Ca 0.27 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1auw s THR 279 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1auw s THR 279 CO 0.12 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1auw n GLY 280 N 2.58 5.32 3.57 4.40 0.00 -1.26 0.91 105.19 120.71 1auw n GLY 280 Ca -0.15 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 1auw n GLY 280 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1auw s SER 281 N 1.00 -0.81 0.51 1.61 0.15 -1.26 -4.93 113.70 109.97 1auw s SER 281 Ca 0.00 1.39 0.24 0.00 0.70 0.00 0.00 55.95 58.28 1auw s SER 281 Cb 0.00 1.31 1.40 0.00 -1.71 0.00 0.00 66.02 67.01 1auw s SER 281 CO 0.00 -0.23 2.09 0.77 1.20 0.00 0.00 173.24 177.06 1auw h SER 282 N 6.35 0.00 0.64 5.45 4.64 -1.97 -0.64 113.55 128.02 1auw h SER 282 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1auw h SER 282 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1auw h SER 282 CO 0.15 0.11 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.59 1auw h LEU 283 N 0.00 0.00 -5.21 5.97 4.07 -2.01 -3.39 115.31 114.74 1auw h LEU 283 Ca -0.00 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.72 1auw h LEU 283 Cb 0.27 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 41.81 1auw h LEU 283 CO 0.01 0.57 -0.58 1.15 -1.08 0.00 0.00 178.44 178.52 1auw n MET 284 N -3.78 0.55 -0.02 1.13 0.00 -0.87 -5.02 117.12 109.12 1auw n MET 284 Ca -0.01 -2.16 0.24 0.00 0.00 0.00 0.00 57.70 55.76 1auw n MET 284 Cb 0.59 -1.48 0.71 0.00 0.00 0.00 0.00 33.22 33.03 1auw n MET 284 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1auw h PRO 285 N 4.84 0.00 -0.02 3.17 0.13 -1.34 -1.08 132.00 137.69 1auw h PRO 285 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1auw h PRO 285 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1auw h PRO 285 CO 0.14 0.00 0.02 -0.56 -0.23 0.00 0.00 178.00 177.36 1auw h GLN 286 N 0.00 0.01 -6.49 0.86 3.07 -1.96 -3.38 115.11 107.22 1auw h GLN 286 Ca 0.29 -0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.48 1auw h GLN 286 Cb 1.47 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.97 1auw h GLN 286 CO -0.00 0.00 1.05 0.21 0.09 0.00 0.00 178.83 180.18 1auw s LYS 287 N -5.07 3.41 -0.39 0.06 2.20 -0.41 -4.97 119.74 114.57 1auw s LYS 287 Ca -0.05 0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1auw s LYS 287 Cb 0.17 -4.07 0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1auw s LYS 287 CO 0.67 -1.81 0.18 0.21 -0.36 0.00 0.00 175.35 174.24 1auw s LYS 288 N 5.24 2.18 -0.04 4.03 2.47 -1.26 -4.06 119.74 128.30 1auw s LYS 288 Ca 0.48 -1.66 -0.30 0.00 -1.56 0.00 0.00 55.97 52.93 1auw s LYS 288 Cb -0.09 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 1auw s LYS 288 CO 0.25 -0.98 1.14 -0.80 0.16 0.00 0.00 175.35 175.13 1auw s ASN 289 N 1.78 7.12 -1.00 1.43 0.01 0.26 -4.86 114.94 119.69 1auw s ASN 289 Ca 0.05 1.77 -0.08 0.00 -0.71 0.00 0.00 52.86 53.89 1auw s ASN 289 Cb -0.22 -2.56 -0.13 0.00 0.41 0.00 0.00 41.25 38.74 1auw s ASN 289 CO -0.03 -0.51 2.96 -0.81 -1.51 0.00 0.00 177.10 177.20 1auw n PRO 290 N 4.85 2.85 -0.20 -0.60 -0.04 -1.26 -1.21 135.00 139.39 1auw n PRO 290 Ca 0.10 -1.67 -0.01 0.00 -0.04 0.00 0.00 63.50 61.87 1auw n PRO 290 Cb 0.47 -2.47 0.05 0.00 -0.04 0.00 0.00 33.50 31.51 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 4.64 -0.63 -0.47 3.54 5.19 -1.92 -1.57 116.42 125.21 1auw h ASP 291 Ca 0.59 0.19 0.10 0.00 -0.62 0.00 0.00 57.03 57.29 1auw h ASP 291 Cb 0.61 0.40 -0.09 0.00 0.18 0.00 0.00 39.33 40.43 1auw h ASP 291 CO 1.24 -0.22 -0.18 0.77 -3.12 0.00 0.00 179.24 177.74 1auw h SER 292 N -0.02 -0.62 -0.60 6.45 4.64 -1.83 0.67 113.55 122.23 1auw h SER 292 Ca 0.29 0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 1auw h SER 292 Cb 0.46 0.36 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1auw h SER 292 CO -0.63 -0.21 0.09 -0.07 -0.87 0.00 0.00 176.83 175.13 1auw h LEU 293 N -0.08 0.97 -0.97 5.97 3.38 -1.59 -1.63 115.31 121.36 1auw h LEU 293 Ca 0.22 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1auw h LEU 293 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1auw h LEU 293 CO -0.52 0.99 -0.06 -0.33 0.09 0.00 0.00 178.44 178.61 1auw h GLU 294 N 0.91 0.69 -0.42 1.13 5.08 -0.65 -0.74 114.58 120.58 1auw h GLU 294 Ca 0.18 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1auw h GLU 294 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1auw h GLU 294 CO 0.01 0.74 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.58 1auw h LEU 295 N 0.64 0.83 -0.44 1.33 3.38 -0.66 -1.96 115.31 118.43 1auw h LEU 295 Ca 0.12 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1auw h LEU 295 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1auw h LEU 295 CO 0.02 1.01 0.11 0.40 0.09 0.00 0.00 178.44 180.08 1auw h ILE 296 N 0.64 1.23 -0.87 1.22 2.04 -0.97 -2.74 117.51 118.06 1auw h ILE 296 Ca 0.10 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1auw h ILE 296 Cb 0.66 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1auw h ILE 296 CO 0.04 0.28 0.46 -0.09 0.00 0.00 0.00 178.15 178.85 1auw h ARG 297 N 0.57 1.23 -0.15 2.37 2.43 -1.04 -2.91 114.38 116.88 1auw h ARG 297 Ca 0.14 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1auw h ARG 297 Cb 0.31 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1auw h ARG 297 CO 0.00 0.91 -0.29 0.66 -1.51 0.00 0.00 179.97 179.74 1auw h SER 298 N 1.22 0.29 0.34 -3.80 4.64 -1.26 -2.89 113.55 112.10 1auw h SER 298 Ca 0.30 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1auw h SER 298 Cb 0.05 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1auw h SER 298 CO -0.05 0.58 0.00 0.11 -0.87 0.00 0.00 176.83 176.61 1auw h LYS 299 N 0.26 0.00 -0.49 4.77 1.79 -1.27 -2.32 116.57 119.30 1auw h LYS 299 Ca 0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1auw h LYS 299 Cb 0.65 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1auw h LYS 299 CO 0.05 0.00 0.22 0.00 -1.08 0.00 0.00 179.45 178.64 1auw h ALA 300 N 2.10 0.64 -0.37 3.86 0.00 -1.60 -1.27 119.26 122.62 1auw h ALA 300 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1auw h ALA 300 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1auw h ALA 300 CO 0.00 0.22 -0.07 0.78 0.00 0.00 0.00 179.25 180.19 1auw h GLY 301 N 0.65 0.75 0.68 0.00 0.00 -1.61 -1.31 103.07 102.23 1auw h GLY 301 Ca 0.17 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 46.93 1auw h GLY 301 CO -0.02 0.55 0.03 -0.09 0.00 0.00 0.00 176.54 177.02 1auw h ARG 302 N 0.49 0.12 -0.47 4.80 2.43 -1.51 0.21 114.38 120.45 1auw h ARG 302 Ca 0.10 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1auw h ARG 302 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1auw h ARG 302 CO 0.03 0.08 0.08 0.28 -1.51 0.00 0.00 179.97 178.93 1auw h VAL 303 N 0.12 1.25 -0.65 0.20 2.07 -1.21 -2.56 116.25 115.47 1auw h VAL 303 Ca 0.12 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1auw h VAL 303 Cb 0.13 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1auw h VAL 303 CO -0.17 0.32 0.37 0.15 0.02 0.00 0.00 177.57 178.26 1auw h PHE 304 N 0.64 0.69 -0.91 1.57 3.57 -0.55 -0.79 116.94 121.15 1auw h PHE 304 Ca 0.14 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1auw h PHE 304 Cb 0.38 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1auw h PHE 304 CO 0.03 0.35 0.59 0.78 -2.23 0.00 0.00 178.31 177.82 1auw h GLY 305 N 0.70 1.31 1.17 2.40 0.00 -0.21 -0.09 103.07 108.36 1auw h GLY 305 Ca 0.28 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1auw h GLY 305 CO -0.15 0.11 -0.17 3.21 0.00 0.00 0.00 176.54 179.54 1auw h ARG 306 N 0.78 0.96 -0.40 4.80 2.47 -0.90 -0.96 114.38 121.12 1auw h ARG 306 Ca 0.46 -0.38 -0.06 0.00 -1.26 0.00 0.00 59.98 58.74 1auw h ARG 306 Cb 0.64 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1auw h ARG 306 CO -0.22 1.05 0.03 1.25 0.56 0.00 0.00 179.97 182.64 1auw h LEU 307 N 0.84 0.66 -0.78 3.04 5.85 -0.59 -2.56 115.31 121.78 1auw h LEU 307 Ca 0.12 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1auw h LEU 307 Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1auw h LEU 307 CO 0.06 0.78 0.33 0.00 -0.34 0.00 0.00 178.44 179.27 1auw h ALA 308 N 0.90 1.01 0.43 1.25 0.00 -0.98 -2.58 119.26 119.30 1auw h ALA 308 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1auw h ALA 308 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1auw h ALA 308 CO 0.01 0.62 -0.21 0.66 0.00 0.00 0.00 179.25 180.34 1auw h SER 309 N 1.12 -0.49 -0.02 0.00 4.64 -1.01 -2.37 113.55 115.42 1auw h SER 309 Ca 0.26 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1auw h SER 309 Cb 0.19 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1auw h SER 309 CO -0.02 -0.25 -0.02 0.40 -0.87 0.00 0.00 176.83 176.07 1auw h ILE 310 N -0.72 1.07 -0.43 0.95 1.08 -1.48 -0.76 117.51 117.22 1auw h ILE 310 Ca -0.06 -0.28 -0.15 0.00 -0.39 0.00 0.00 64.86 63.99 1auw h ILE 310 Cb 0.52 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1auw h ILE 310 CO 0.10 0.09 -0.31 -0.07 -0.69 0.00 0.00 178.15 177.27 1auw h LEU 311 N 0.12 1.00 -0.63 1.44 3.38 -1.39 -2.14 115.31 117.09 1auw h LEU 311 Ca 0.03 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 1auw h LEU 311 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1auw h LEU 311 CO 0.00 1.21 -0.63 -0.03 0.09 0.00 0.00 178.44 179.09 1auw h MET 312 N 0.80 0.22 -0.38 1.13 4.05 -0.86 -2.29 114.93 117.60 1auw h MET 312 Ca 0.08 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1auw h MET 312 Cb 0.89 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 1auw h MET 312 CO 0.08 0.78 0.14 0.28 0.23 0.00 0.00 176.91 178.42 1auw h VAL 313 N 0.16 1.20 0.00 -5.77 2.07 -1.04 -3.13 116.25 109.74 1auw h VAL 313 Ca -0.01 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1auw h VAL 313 Cb 1.14 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1auw h VAL 313 CO 0.10 0.23 -0.47 -0.07 0.02 0.00 0.00 177.57 177.38 1auw h LEU 314 N 0.47 0.00 -9.52 2.57 3.38 -1.34 -3.44 115.31 107.43 1auw h LEU 314 Ca 0.12 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.54 1auw h LEU 314 Cb 0.22 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.02 1auw h LEU 314 CO -0.01 0.47 1.00 1.17 0.09 0.00 0.00 178.44 181.15 1auw n LYS 315 N -3.45 2.54 -1.02 1.13 0.00 -0.87 -2.80 118.16 113.69 1auw n LYS 315 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 58.31 59.23 1auw n LYS 315 Cb 0.61 -2.76 -0.00 0.00 0.00 0.00 0.00 35.03 32.87 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 3.95 0.27 3.73 3.14 0.00 -1.26 -4.99 105.19 110.03 1auw n GLY 316 Ca 0.18 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.15 4.47 0.80 0.99 1.43 -1.12 -5.04 118.68 120.05 1auw s LEU 317 Ca 0.00 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1auw s LEU 317 Cb 0.00 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.73 1auw s LEU 317 CO 0.00 -0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.39 1auw s PRO 318 N 0.13 1.79 0.47 1.29 0.04 -1.26 -5.05 135.00 132.40 1auw s PRO 318 Ca 0.49 -0.13 -0.20 0.00 0.04 0.00 0.00 61.00 61.21 1auw s PRO 318 Cb -0.25 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1auw s PRO 318 CO 0.31 -1.63 0.98 -1.12 0.04 0.00 0.00 177.00 175.58 1auw s SER 319 N -4.62 6.68 0.00 6.66 0.01 -1.26 -4.72 113.70 116.44 1auw s SER 319 Ca 0.64 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1auw s SER 319 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1auw s SER 319 CO 0.48 -0.54 0.00 0.41 0.41 0.00 0.00 173.24 174.00 1auw n THR 320 N -0.95 0.00 -3.57 1.44 -1.04 -1.26 -5.05 114.28 103.85 1auw n THR 320 Ca 0.08 0.13 -0.37 0.00 -2.04 0.00 0.00 64.05 61.84 1auw n THR 320 Cb 0.54 -1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 67.94 1auw n THR 320 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1auw s TYR 321 N -0.76 3.67 0.03 -1.42 5.04 -1.26 -4.67 117.35 117.98 1auw s TYR 321 Ca 0.00 0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 55.42 1auw s TYR 321 Cb 0.00 -2.20 -0.00 0.00 0.35 0.00 0.00 41.96 40.11 1auw s TYR 321 CO 0.00 0.62 0.15 -0.80 -1.34 0.00 0.00 175.55 174.18 1auw s ASN 322 N -1.29 0.08 0.59 4.32 -0.87 -1.26 -5.05 114.94 111.47 1auw s ASN 322 Ca 0.25 -0.38 0.37 0.00 -1.57 0.00 0.00 52.86 51.53 1auw s ASN 322 Cb -0.15 0.25 1.82 0.00 -0.02 0.00 0.00 41.25 43.15 1auw s ASN 322 CO 0.14 -0.50 2.16 0.11 -2.57 0.00 0.00 177.10 176.44 1auw h LYS 323 N 3.72 0.00 -0.93 -0.60 1.79 -2.02 -3.04 116.57 115.48 1auw h LYS 323 Ca -0.32 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.35 1auw h LYS 323 Cb 1.19 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.76 1auw h LYS 323 CO 0.47 0.02 0.60 -0.44 -1.08 0.00 0.00 179.45 179.03 1auw h ASP 324 N 0.00 0.51 0.00 0.86 5.19 -1.96 -1.44 116.42 119.58 1auw h ASP 324 Ca -0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1auw h ASP 324 Cb 0.27 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1auw h ASP 324 CO 0.00 0.20 0.15 -0.07 -3.12 0.00 0.00 179.24 176.40 1auw h LEU 325 N 0.51 0.00 0.00 1.55 4.07 -1.91 -2.81 115.31 116.72 1auw h LEU 325 Ca 0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.46 1auw h LEU 325 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1auw h LEU 325 CO -0.23 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.13 1auw n GLN 326 N -2.67 0.05 0.10 1.13 6.02 -0.54 -2.73 117.38 118.74 1auw n GLN 326 Ca -0.02 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 1auw n GLN 326 Cb 0.19 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.41 1auw n GLN 326 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1auw n GLU 327 N -1.42 0.19 -0.12 -1.09 -0.58 -1.06 -4.00 120.64 112.55 1auw n GLU 327 Ca 0.03 0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 56.99 1auw n GLU 327 Cb 0.10 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.17 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 0.44 -0.02 1.62 3.04 -1.80 -3.25 116.42 116.46 1auw h ASP 328 Ca 0.00 -0.06 0.03 0.00 -3.24 0.00 0.00 57.03 53.77 1auw h ASP 328 Cb 0.49 -0.11 -0.05 0.00 -1.04 0.00 0.00 39.33 38.62 1auw h ASP 328 CO 0.00 0.37 -0.35 0.11 -2.04 0.00 0.00 179.24 177.33 1auw h LYS 329 N 0.48 -0.48 -0.55 4.15 1.57 -1.85 -0.97 116.57 118.92 1auw h LYS 329 Ca 0.13 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1auw h LYS 329 Cb 0.01 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1auw h LYS 329 CO -0.02 -0.32 0.36 0.93 -0.57 0.00 0.00 179.45 179.83 1auw h GLU 330 N -0.49 0.46 0.35 3.15 5.08 -1.83 0.75 114.58 122.05 1auw h GLU 330 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1auw h GLU 330 Cb 0.59 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1auw h GLU 330 CO -0.29 0.31 -0.17 0.00 -1.00 0.00 0.00 179.01 177.86 1auw h ALA 331 N 1.71 -0.47 -0.30 3.43 0.00 -1.31 -2.34 119.26 119.97 1auw h ALA 331 Ca 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1auw h ALA 331 Cb 0.33 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1auw h ALA 331 CO -0.07 -0.57 -0.09 -0.39 0.00 0.00 0.00 179.25 178.14 1auw h VAL 332 N -0.86 1.22 -0.44 0.00 -1.51 -0.90 -2.03 116.25 111.72 1auw h VAL 332 Ca -0.05 -0.95 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 1auw h VAL 332 Cb 0.53 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 1auw h VAL 332 CO 0.08 0.31 0.11 -0.26 -1.23 0.00 0.00 177.57 176.59 1auw h PHE 333 N 0.47 0.74 -0.50 5.19 0.04 -0.90 -0.82 116.94 121.16 1auw h PHE 333 Ca 0.09 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1auw h PHE 333 Cb 0.45 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1auw h PHE 333 CO 0.01 0.68 -0.05 0.22 -0.60 0.00 0.00 178.31 178.58 1auw h ASP 334 N 0.58 0.91 -0.24 2.17 3.58 -1.18 -2.19 116.42 120.05 1auw h ASP 334 Ca 0.14 -0.33 -0.18 0.00 0.42 0.00 0.00 57.03 57.08 1auw h ASP 334 Cb 0.31 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1auw h ASP 334 CO 0.00 1.02 -0.52 0.58 -2.88 0.00 0.00 179.24 177.44 1auw h VAL 335 N 0.77 1.28 -0.01 2.25 2.07 -1.30 -2.10 116.25 119.22 1auw h VAL 335 Ca 0.14 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1auw h VAL 335 Cb 0.58 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1auw h VAL 335 CO 0.03 0.55 0.00 0.58 0.02 0.00 0.00 177.57 178.76 1auw h VAL 336 N 0.64 1.01 -0.56 2.57 2.07 -1.11 0.10 116.25 120.97 1auw h VAL 336 Ca 0.02 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1auw h VAL 336 Cb 1.11 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1auw h VAL 336 CO 0.11 0.01 0.08 0.44 0.02 0.00 0.00 177.57 178.23 1auw h ASP 337 N -0.01 0.86 -0.10 0.57 3.32 -1.45 -1.58 116.42 118.04 1auw h ASP 337 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1auw h ASP 337 Cb 0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1auw h ASP 337 CO -0.00 0.88 -0.00 0.74 -1.72 0.00 0.00 179.24 179.14 1auw h THR 338 N 0.86 1.26 -0.25 0.35 2.02 -1.14 -2.62 112.91 113.38 1auw h THR 338 Ca 0.18 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1auw h THR 338 Cb 0.39 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1auw h THR 338 CO 0.01 0.23 0.11 -0.07 0.37 0.00 0.00 175.52 176.17 1auw h LEU 339 N -0.10 0.34 -0.82 2.58 3.38 -0.87 0.89 115.31 120.71 1auw h LEU 339 Ca 0.03 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1auw h LEU 339 Cb 0.36 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1auw h LEU 339 CO 0.01 0.41 0.44 0.74 0.09 0.00 0.00 178.44 180.13 1auw h THR 340 N 0.26 0.83 0.08 0.22 2.02 -1.30 0.02 112.91 115.05 1auw h THR 340 Ca 0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1auw h THR 340 Cb 0.16 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1auw h THR 340 CO -0.01 0.13 -0.04 0.00 0.37 0.00 0.00 175.52 175.97 1auw h ALA 341 N 1.49 -0.11 -0.36 6.16 0.00 -1.27 -3.23 119.26 121.95 1auw h ALA 341 Ca 0.42 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1auw h ALA 341 Cb 0.47 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1auw h ALA 341 CO -0.29 -0.20 -0.23 0.28 0.00 0.00 0.00 179.25 178.81 1auw h VAL 342 N -0.83 0.38 -0.68 0.00 2.07 -0.53 -1.47 116.25 115.18 1auw h VAL 342 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1auw h VAL 342 Cb 0.60 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1auw h VAL 342 CO 0.02 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.85 1auw h LEU 343 N -0.18 0.38 -0.84 2.57 3.38 -1.13 0.23 115.31 119.73 1auw h LEU 343 Ca 0.18 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1auw h LEU 343 Cb 0.45 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1auw h LEU 343 CO -0.47 0.22 0.08 1.56 0.09 0.00 0.00 178.44 179.92 1auw h GLN 344 N 0.54 0.95 -0.39 1.13 4.20 -1.40 -1.36 115.11 118.77 1auw h GLN 344 Ca 0.34 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1auw h GLN 344 Cb 0.39 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1auw h GLN 344 CO -0.29 0.89 -0.29 0.28 -0.67 0.00 0.00 178.83 178.75 1auw h VAL 345 N 0.89 1.28 -0.35 -0.54 2.07 -0.26 -2.00 116.25 117.34 1auw h VAL 345 Ca 0.18 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1auw h VAL 345 Cb 0.41 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1auw h VAL 345 CO 0.01 0.48 0.13 0.00 0.02 0.00 0.00 177.57 178.21 1auw h ALA 346 N 0.95 0.46 -0.80 1.67 0.00 -0.66 -0.73 119.26 120.15 1auw h ALA 346 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1auw h ALA 346 Cb 0.84 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1auw h ALA 346 CO 0.07 0.07 0.52 1.15 0.00 0.00 0.00 179.25 181.07 1auw h THR 347 N 0.42 1.17 -0.67 0.00 2.02 -1.21 -1.73 112.91 112.91 1auw h THR 347 Ca 0.12 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1auw h THR 347 Cb 0.21 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1auw h THR 347 CO -0.01 0.19 0.38 1.23 0.37 0.00 0.00 175.52 177.69 1auw h GLY 348 N 1.05 0.99 0.92 2.16 0.00 -0.84 -1.77 103.07 105.58 1auw h GLY 348 Ca 0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1auw h GLY 348 CO -0.08 0.42 -0.11 -2.08 0.00 0.00 0.00 176.54 174.69 1auw h VAL 349 N 0.91 0.81 -0.52 4.60 2.07 -0.53 -2.40 116.25 121.20 1auw h VAL 349 Ca 0.24 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1auw h VAL 349 Cb 0.01 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1auw h VAL 349 CO -0.04 0.04 0.29 0.40 0.02 0.00 0.00 177.57 178.28 1auw h ILE 350 N -0.39 1.17 -0.42 4.57 1.08 -1.25 -2.13 117.51 120.14 1auw h ILE 350 Ca -0.03 -0.42 -0.13 0.00 -0.39 0.00 0.00 64.86 63.89 1auw h ILE 350 Cb 0.29 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1auw h ILE 350 CO 0.05 0.18 -0.24 0.77 -0.69 0.00 0.00 178.15 178.22 1auw h SER 351 N 0.69 0.94 -0.52 1.72 4.64 -1.32 -3.13 113.55 116.57 1auw h SER 351 Ca 0.18 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1auw h SER 351 Cb 0.03 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1auw h SER 351 CO -0.03 1.15 0.00 0.35 -0.87 0.00 0.00 176.83 177.43 1auw n THR 352 N -4.16 1.58 -2.24 2.95 -2.24 -0.91 -4.96 114.28 104.30 1auw n THR 352 Ca -0.01 -0.97 -0.40 0.00 -2.27 0.00 0.00 64.05 60.39 1auw n THR 352 Cb 0.46 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1auw n THR 352 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1auw s LEU 353 N -1.67 4.41 -0.37 3.22 2.96 -0.81 -3.96 118.68 122.47 1auw s LEU 353 Ca 0.42 2.51 -0.04 0.00 -0.22 0.00 0.00 54.13 56.80 1auw s LEU 353 Cb 0.28 -3.72 0.08 0.00 0.50 0.00 0.00 46.19 43.32 1auw s LEU 353 CO 0.19 -0.46 0.14 -1.58 -1.32 0.00 0.00 176.35 173.31 1auw s GLN 354 N -1.81 2.29 0.31 1.98 2.00 -0.01 -4.99 119.66 119.44 1auw s GLN 354 Ca 0.49 -1.52 -0.24 0.00 -2.00 0.00 0.00 55.36 52.10 1auw s GLN 354 Cb -0.36 -3.47 -0.10 0.00 0.80 0.00 0.00 33.01 29.88 1auw s GLN 354 CO 0.47 -0.87 0.89 0.42 -0.50 0.00 0.00 175.29 175.70 1auw s ILE 355 N 1.25 4.32 -0.47 -2.34 1.09 -1.26 -0.39 121.20 123.39 1auw s ILE 355 Ca 0.02 1.65 -0.00 0.00 -1.10 0.00 0.00 60.65 61.21 1auw s ILE 355 Cb -0.21 -3.92 0.13 0.00 -1.06 0.00 0.00 42.46 37.39 1auw s ILE 355 CO -0.01 0.10 0.25 -0.55 -0.10 0.00 0.00 174.94 174.63 1auw s SER 356 N -1.70 5.01 0.19 3.58 0.15 -0.12 -4.96 113.70 115.86 1auw s SER 356 Ca 0.50 -2.44 -0.12 0.00 0.70 0.00 0.00 55.95 54.58 1auw s SER 356 Cb -0.17 -1.77 0.15 0.00 -1.71 0.00 0.00 66.02 62.52 1auw s SER 356 CO 0.22 -0.41 1.80 0.11 1.20 0.00 0.00 173.24 176.16 1auw h LYS 357 N 7.43 0.57 -0.28 5.44 1.57 -1.95 -2.57 116.57 126.79 1auw h LYS 357 Ca -0.07 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1auw h LYS 357 Cb 0.99 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 1auw h LYS 357 CO 0.67 0.38 -0.10 0.93 -0.57 0.00 0.00 179.45 180.75 1auw h GLU 358 N 0.59 -0.05 -0.36 3.15 5.08 -1.97 0.18 114.58 121.21 1auw h GLU 358 Ca 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1auw h GLU 358 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1auw h GLU 358 CO -0.14 -0.03 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.82 1auw h ASN 359 N -0.05 0.60 -0.25 1.42 2.35 -1.82 0.12 115.58 117.94 1auw h ASN 359 Ca 0.14 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1auw h ASN 359 Cb 0.27 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1auw h ASN 359 CO -0.32 0.74 -0.02 0.24 -1.65 0.00 0.00 177.43 176.42 1auw h MET 360 N 0.57 0.46 -0.73 0.81 2.86 -0.99 -2.65 114.93 115.25 1auw h MET 360 Ca 0.10 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1auw h MET 360 Cb 0.52 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1auw h MET 360 CO 0.03 0.64 0.32 0.93 1.06 0.00 0.00 176.91 179.90 1auw h GLU 361 N 0.22 1.08 0.00 1.72 4.39 -0.20 -2.52 114.58 119.27 1auw h GLU 361 Ca 0.07 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1auw h GLU 361 Cb 0.45 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1auw h GLU 361 CO 0.02 0.86 -0.08 0.87 -1.16 0.00 0.00 179.01 179.52 1auw h LYS 362 N 1.04 0.00 0.00 2.33 1.57 -0.67 -2.30 116.57 118.54 1auw h LYS 362 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1auw h LYS 362 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1auw h LYS 362 CO -0.03 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1auw h ALA 363 N 1.92 1.00 -2.14 3.86 0.00 -1.09 -3.44 119.26 119.38 1auw h ALA 363 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1auw h ALA 363 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1auw h ALA 363 CO 0.01 0.00 1.06 -0.51 0.00 0.00 0.00 179.25 179.81 1auw s LEU 364 N -5.85 4.11 0.03 0.00 1.02 -0.87 -4.91 118.68 112.21 1auw s LEU 364 Ca 0.06 1.84 0.04 0.00 0.02 0.00 0.00 54.13 56.09 1auw s LEU 364 Cb 0.07 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.71 1auw s LEU 364 CO 0.61 -1.03 -0.05 0.42 0.02 0.00 0.00 176.35 176.32 1auw s THR 365 N 4.39 3.73 0.55 5.49 -4.23 -1.26 -5.01 115.64 119.30 1auw s THR 365 Ca 0.68 -0.84 0.23 0.00 -1.18 0.00 0.00 61.69 60.58 1auw s THR 365 Cb -0.27 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.23 1auw s THR 365 CO 0.26 0.32 2.17 1.55 -0.54 0.00 0.00 174.62 178.38 1auw h PRO 366 N 4.25 0.00 -0.02 3.99 0.13 -2.00 -1.53 132.00 136.82 1auw h PRO 366 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1auw h PRO 366 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1auw h PRO 366 CO 0.55 0.00 0.02 1.05 -0.23 0.00 0.00 178.00 179.39 1auw h GLU 367 N 0.00 0.00 0.00 0.86 9.09 -2.00 0.41 114.58 122.94 1auw h GLU 367 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1auw h GLU 367 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1auw h GLU 367 CO -0.00 0.00 0.00 -1.33 0.05 0.00 0.00 179.01 177.73 1auw n MET 368 N -4.30 0.10 0.00 1.06 2.81 -0.57 -2.07 117.12 114.14 1auw n MET 368 Ca -0.02 0.40 0.14 0.00 -1.81 0.00 0.00 57.70 56.41 1auw n MET 368 Cb 0.11 -1.71 0.48 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.91 1.58 -0.30 4.03 4.77 0.13 -4.21 117.00 121.10 1auw n LEU 369 Ca 0.02 -0.52 0.01 0.00 -0.03 0.00 0.00 56.01 55.48 1auw n LEU 369 Cb 0.16 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.43 1auw n LEU 369 CO 0.14 0.27 1.26 0.00 -1.33 0.00 0.00 177.39 177.73 1auw h ALA 370 N 4.32 1.41 -0.46 -1.18 0.00 -1.55 -1.77 119.26 120.03 1auw h ALA 370 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1auw h ALA 370 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1auw h ALA 370 CO 0.00 0.52 -0.24 1.79 0.00 0.00 0.00 179.25 181.32 1auw h THR 371 N 1.15 1.27 -0.45 0.00 1.35 -1.83 -2.47 112.91 111.93 1auw h THR 371 Ca 0.34 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1auw h THR 371 Cb -0.04 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1auw h THR 371 CO -0.09 0.48 0.28 0.44 -0.25 0.00 0.00 175.52 176.38 1auw h ASP 372 N 0.83 0.52 -0.69 5.36 3.32 -1.62 0.25 116.42 124.38 1auw h ASP 372 Ca 0.10 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1auw h ASP 372 Cb 0.82 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1auw h ASP 372 CO 0.07 0.39 0.36 0.25 -1.72 0.00 0.00 179.24 178.59 1auw h LEU 373 N 0.61 0.89 -0.79 1.55 5.85 -0.90 0.75 115.31 123.26 1auw h LEU 373 Ca 0.16 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1auw h LEU 373 Cb -0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1auw h LEU 373 CO -0.03 0.75 -0.21 0.00 -0.34 0.00 0.00 178.44 178.60 1auw h ALA 374 N 1.18 0.97 -0.50 1.25 0.00 -0.83 -2.53 119.26 118.79 1auw h ALA 374 Ca 0.24 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1auw h ALA 374 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1auw h ALA 374 CO -0.04 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.74 1auw h LEU 375 N 0.60 0.82 -0.40 0.00 -0.00 -0.11 -0.72 115.31 115.49 1auw h LEU 375 Ca 0.09 -0.21 0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1auw h LEU 375 Cb 0.69 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 1auw h LEU 375 CO 0.05 0.88 0.09 0.22 -0.00 0.00 0.00 178.44 179.69 1auw h TYR 376 N 0.78 0.15 -0.39 1.13 3.20 -0.47 -1.61 116.97 119.77 1auw h TYR 376 Ca 0.15 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 1auw h TYR 376 Cb 0.48 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1auw h TYR 376 CO 0.03 0.02 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.18 1auw h LEU 377 N 0.22 0.96 -0.99 2.82 3.38 -1.16 -2.89 115.31 117.65 1auw h LEU 377 Ca 0.19 -0.45 0.11 0.00 0.09 0.00 0.00 57.88 57.82 1auw h LEU 377 Cb 0.23 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1auw h LEU 377 CO -0.25 1.20 0.62 0.58 0.09 0.00 0.00 178.44 180.69 1auw h VAL 378 N 0.72 0.95 0.00 1.22 2.07 -0.73 0.29 116.25 120.76 1auw h VAL 378 Ca 0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1auw h VAL 378 Cb 0.91 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1auw h VAL 378 CO 0.08 0.19 -0.19 0.03 0.02 0.00 0.00 177.57 177.70 1auw h ARG 379 N 1.01 0.00 -1.43 1.57 3.08 -1.16 -2.60 114.38 114.85 1auw h ARG 379 Ca 0.48 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 60.03 1auw h ARG 379 Cb 0.43 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.27 1auw h ARG 379 CO -0.25 0.19 0.62 1.63 -1.07 0.00 0.00 179.97 181.09 1auw n LYS 380 N -3.50 2.25 -0.60 0.04 5.02 0.93 -4.84 118.16 117.46 1auw n LYS 380 Ca -0.01 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1auw n LYS 380 Cb 0.35 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1auw n LYS 380 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1auw n GLY 381 N -0.08 0.12 3.64 0.72 0.00 -0.98 -4.94 105.19 103.67 1auw n GLY 381 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.34 4.43 0.37 1.61 1.01 -0.71 -4.98 120.40 120.78 1auw s VAL 382 Ca 0.00 1.67 -0.26 0.00 0.00 0.00 0.00 61.98 63.39 1auw s VAL 382 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1auw s VAL 382 CO 0.00 -0.36 1.09 -0.81 0.00 0.00 0.00 175.10 175.02 1auw n PRO 383 N 6.81 1.57 -0.39 2.72 -0.04 -1.26 -3.68 135.00 140.73 1auw n PRO 383 Ca 0.13 0.56 -0.07 0.00 -0.04 0.00 0.00 63.50 64.07 1auw n PRO 383 Cb 0.46 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 1auw n PRO 383 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1auw n PHE 384 N -0.09 -0.27 -0.21 0.54 7.35 -1.26 -0.92 117.46 122.60 1auw n PHE 384 Ca 0.08 1.19 0.02 0.00 -0.76 0.00 0.00 57.45 57.98 1auw n PHE 384 Cb 0.37 -0.67 0.12 0.00 0.35 0.00 0.00 39.48 39.64 1auw n PHE 384 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1auw h ARG 385 N 0.00 0.18 -0.32 -4.13 2.43 -2.00 0.68 114.38 111.22 1auw h ARG 385 Ca 0.21 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1auw h ARG 385 Cb 0.45 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1auw h ARG 385 CO -0.92 0.12 -0.04 1.96 -1.51 0.00 0.00 179.97 179.58 1auw h GLN 386 N 0.18 0.60 -0.83 0.20 7.50 -1.37 -2.66 115.11 118.72 1auw h GLN 386 Ca 0.33 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 59.26 1auw h GLN 386 Cb 0.54 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.98 1auw h GLN 386 CO -0.49 0.76 0.46 0.00 -1.50 0.00 0.00 178.83 178.06 1auw h ALA 387 N 0.82 1.23 -0.74 3.87 0.00 -0.30 -1.77 119.26 122.38 1auw h ALA 387 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1auw h ALA 387 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1auw h ALA 387 CO 0.02 0.62 0.29 1.25 0.00 0.00 0.00 179.25 181.44 1auw h HIS 388 N 1.16 1.11 -0.33 0.00 -0.00 -0.78 -2.31 115.15 114.00 1auw h HIS 388 Ca 0.29 -0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.49 1auw h HIS 388 Cb 0.03 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 1auw h HIS 388 CO 0.01 0.85 -0.17 1.79 -0.00 0.00 0.00 177.93 180.40 1auw h THR 389 N 1.07 1.29 -0.74 6.26 1.35 -1.07 -2.45 112.91 118.62 1auw h THR 389 Ca 0.25 -1.29 0.06 0.00 -0.55 0.00 0.00 66.41 64.88 1auw h THR 389 Cb 0.20 1.42 -0.06 0.00 -1.73 0.00 0.00 68.15 67.98 1auw h THR 389 CO -0.02 0.42 0.43 0.00 -0.25 0.00 0.00 175.52 176.10 1auw h ALA 390 N 0.77 0.99 -0.08 6.62 0.00 -1.07 -0.87 119.26 125.63 1auw h ALA 390 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1auw h ALA 390 Cb 0.71 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1auw h ALA 390 CO 0.05 0.14 0.05 0.77 0.00 0.00 0.00 179.25 180.26 1auw h SER 391 N 0.80 0.10 -0.70 0.00 0.02 -1.34 -1.41 113.55 111.01 1auw h SER 391 Ca 0.32 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1auw h SER 391 Cb 0.17 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 1auw h SER 391 CO -0.17 0.13 0.31 1.23 -1.14 0.00 0.00 176.83 177.19 1auw h GLY 392 N 0.06 1.04 0.96 -3.77 0.00 -0.90 0.90 103.07 101.36 1auw h GLY 392 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1auw h GLY 392 CO -0.01 0.00 0.35 0.50 0.00 0.00 0.00 176.54 177.39 1auw h LYS 393 N 0.52 0.68 -0.82 4.80 1.57 -0.87 -0.65 116.57 121.80 1auw h LYS 393 Ca 0.36 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1auw h LYS 393 Cb 0.43 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1auw h LYS 393 CO -0.31 0.45 0.39 0.00 -0.57 0.00 0.00 179.45 179.41 1auw h ALA 394 N 1.21 1.14 -0.74 3.86 0.00 -0.03 0.91 119.26 125.61 1auw h ALA 394 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1auw h ALA 394 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1auw h ALA 394 CO -0.06 0.65 0.34 0.28 0.00 0.00 0.00 179.25 180.46 1auw h VAL 395 N 1.17 1.25 -0.39 0.00 2.07 -0.16 -0.73 116.25 119.45 1auw h VAL 395 Ca 0.28 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 1auw h VAL 395 Cb 0.12 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1auw h VAL 395 CO -0.03 0.30 -0.32 -0.74 0.02 0.00 0.00 177.57 176.79 1auw h HIS 396 N 1.06 1.07 0.01 1.57 6.17 -0.42 -2.33 115.15 122.28 1auw h HIS 396 Ca 0.25 -0.31 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 1auw h HIS 396 Cb 0.15 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 29.85 1auw h HIS 396 CO 0.01 1.12 -0.01 1.25 0.71 0.00 0.00 177.93 181.01 1auw h LEU 397 N 0.72 -0.01 -1.25 0.26 5.85 -0.61 -0.85 115.31 119.41 1auw h LEU 397 Ca 0.07 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1auw h LEU 397 Cb 0.91 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1auw h LEU 397 CO 0.08 0.09 0.56 0.00 -0.34 0.00 0.00 178.44 178.84 1auw h ALA 398 N 0.87 1.70 0.27 1.25 0.00 -1.13 -0.51 119.26 121.70 1auw h ALA 398 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1auw h ALA 398 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1auw h ALA 398 CO 0.00 0.12 -0.13 1.49 0.00 0.00 0.00 179.25 180.73 1auw h GLU 399 N 0.82 -0.35 0.00 0.00 4.81 -1.05 -0.82 114.58 117.98 1auw h GLU 399 Ca 0.41 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1auw h GLU 399 Cb 0.46 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1auw h GLU 399 CO -0.17 -0.13 -0.06 1.79 -0.73 0.00 0.00 179.01 179.70 1auw h THR 400 N -0.52 0.35 0.00 0.32 1.35 -0.28 -1.02 112.91 113.10 1auw h THR 400 Ca -0.04 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1auw h THR 400 Cb 0.39 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1auw h THR 400 CO 0.06 0.06 -0.49 1.17 -0.25 0.00 0.00 175.52 176.07 1auw n LYS 401 N -3.45 0.19 -0.77 4.72 4.81 -0.28 -4.95 118.16 118.43 1auw n LYS 401 Ca -0.02 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1auw n LYS 401 Cb 0.20 -1.63 0.00 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 1.17 0.00 0.00 177.40 178.98 1auw n GLY 402 N 1.39 0.56 0.16 3.14 0.00 -0.39 -5.05 105.19 105.00 1auw n GLY 402 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 1auw n GLY 402 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1auw n ILE 403 N -2.77 0.00 -4.14 -0.61 -5.35 -0.38 -5.02 119.36 101.09 1auw n ILE 403 Ca 0.00 -0.10 -0.24 0.00 -0.27 0.00 0.00 62.75 62.13 1auw n ILE 403 Cb 0.00 0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 1auw n ILE 403 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1auw s THR 404 N -1.10 4.24 0.36 7.28 -4.23 -1.26 -4.18 115.64 116.75 1auw s THR 404 Ca 0.00 -1.34 0.13 0.00 -1.18 0.00 0.00 61.69 59.31 1auw s THR 404 Cb 0.00 -3.21 0.35 0.00 1.34 0.00 0.00 72.50 70.97 1auw s THR 404 CO 0.00 -0.22 1.77 -0.29 -0.54 0.00 0.00 174.62 175.34 1auw h ILE 405 N 1.91 0.59 0.00 2.99 6.09 -1.90 0.50 117.51 127.69 1auw h ILE 405 Ca -0.47 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 1auw h ILE 405 Cb 1.22 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1auw h ILE 405 CO 0.61 0.10 0.00 -0.46 -3.07 0.00 0.00 178.15 175.33 1auw n ASN 406 N -4.70 0.31 -0.41 2.19 6.94 -1.26 -2.73 115.26 115.59 1auw n ASN 406 Ca 0.24 0.55 0.13 0.00 -0.02 0.00 0.00 54.58 55.48 1auw n ASN 406 Cb 0.75 -0.63 0.30 0.00 -2.36 0.00 0.00 39.78 37.85 1auw n ASN 406 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1auw n LYS 407 N -1.81 1.23 -2.25 -3.83 3.00 0.18 -4.94 118.16 109.73 1auw n LYS 407 Ca 0.05 -0.83 -0.41 0.00 -0.00 0.00 0.00 58.31 57.12 1auw n LYS 407 Cb 0.29 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 33.81 1auw n LYS 407 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1auw s LEU 408 N -2.34 4.43 0.53 3.14 1.02 -1.11 -4.92 118.68 119.43 1auw s LEU 408 Ca 0.26 2.39 -0.13 0.00 0.02 0.00 0.00 54.13 56.67 1auw s LEU 408 Cb 0.19 -3.61 -0.06 0.00 0.02 0.00 0.00 46.19 42.73 1auw s LEU 408 CO 0.47 -0.47 0.96 -0.94 0.02 0.00 0.00 176.35 176.39 1auw s SER 409 N 0.14 6.47 0.34 2.29 1.04 -1.26 -4.89 113.70 117.83 1auw s SER 409 Ca 0.54 1.43 0.11 0.00 0.48 0.00 0.00 55.95 58.51 1auw s SER 409 Cb -0.36 -2.46 0.88 0.00 0.10 0.00 0.00 66.02 64.19 1auw s SER 409 CO 0.40 -0.65 1.79 0.25 0.98 0.00 0.00 173.24 176.01 1auw h LEU 410 N 0.54 0.65 -0.38 2.42 7.12 -1.97 0.18 115.31 123.87 1auw h LEU 410 Ca -0.46 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.63 1auw h LEU 410 Cb 1.19 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 1auw h LEU 410 CO 0.62 0.21 0.20 -0.33 -0.13 0.00 0.00 178.44 179.02 1auw h GLU 411 N 0.62 0.53 -0.49 1.25 3.07 -1.96 0.51 114.58 118.12 1auw h GLU 411 Ca 0.56 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.38 1auw h GLU 411 Cb 1.08 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 1auw h GLU 411 CO -0.33 0.43 0.30 -0.44 -1.40 0.00 0.00 179.01 177.58 1auw h ASP 412 N 0.48 0.50 -0.34 1.42 3.32 -1.06 -1.45 116.42 119.29 1auw h ASP 412 Ca 0.13 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1auw h ASP 412 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1auw h ASP 412 CO -0.02 0.36 0.16 -0.07 -1.72 0.00 0.00 179.24 177.95 1auw h LEU 413 N 0.61 0.45 -1.20 1.55 3.38 -0.97 -2.66 115.31 116.46 1auw h LEU 413 Ca 0.19 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.15 1auw h LEU 413 Cb -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1auw h LEU 413 CO -0.07 0.45 0.58 0.11 0.09 0.00 0.00 178.44 179.61 1auw h LYS 414 N 0.42 0.81 -0.97 1.13 1.79 -0.45 0.19 116.57 119.48 1auw h LYS 414 Ca 0.12 -0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1auw h LYS 414 Cb 0.12 -0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 30.52 1auw h LYS 414 CO -0.01 0.54 0.63 0.77 -1.08 0.00 0.00 179.45 180.29 1auw h SER 415 N 0.83 0.95 0.04 0.86 0.02 -0.92 -2.62 113.55 112.71 1auw h SER 415 Ca 0.44 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.31 1auw h SER 415 Cb 0.52 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1auw h SER 415 CO -0.20 0.56 -0.41 0.40 -1.14 0.00 0.00 176.83 176.05 1auw h ILE 416 N 1.05 1.57 -2.45 3.27 2.04 -0.66 -3.47 117.51 118.86 1auw h ILE 416 Ca 0.45 -2.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.01 1auw h ILE 416 Cb 0.32 3.00 -0.24 0.00 -0.74 0.00 0.00 36.82 39.16 1auw h ILE 416 CO -0.20 0.61 -0.14 -0.55 0.00 0.00 0.00 178.15 177.87 1auw s SER 417 N -6.54 -0.60 0.24 1.72 0.15 0.07 -5.02 113.70 103.72 1auw s SER 417 Ca -0.15 1.08 0.24 0.00 0.70 0.00 0.00 55.95 57.81 1auw s SER 417 Cb 0.00 1.03 0.93 0.00 -1.71 0.00 0.00 66.02 66.27 1auw s SER 417 CO 0.77 -0.19 1.73 -0.81 1.20 0.00 0.00 173.24 175.94 1auw n PRO 418 N 3.48 0.21 0.24 5.44 -0.04 -1.24 -2.65 135.00 140.45 1auw n PRO 418 Ca -0.17 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1auw n PRO 418 Cb 0.56 -1.85 0.57 0.00 -0.04 0.00 0.00 33.50 32.75 1auw n PRO 418 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1auw h GLN 419 N 0.00 0.00 -5.59 0.54 1.08 -1.93 -3.40 115.11 105.80 1auw h GLN 419 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1auw h GLN 419 Cb 0.47 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 1auw h GLN 419 CO 0.00 0.15 0.73 -0.06 -0.95 0.00 0.00 178.83 178.70 1auw s PHE 420 N -3.76 1.76 0.69 2.96 0.08 -1.08 -4.95 117.98 113.68 1auw s PHE 420 Ca -0.00 0.78 -0.11 0.00 0.12 0.00 0.00 56.93 57.72 1auw s PHE 420 Cb 0.10 -3.95 0.01 0.00 -0.57 0.00 0.00 43.02 38.62 1auw s PHE 420 CO 0.60 -1.54 1.07 -1.12 -0.10 0.00 0.00 175.22 174.13 1auw s SER 421 N 7.89 5.50 0.52 1.36 0.01 -1.26 -4.65 113.70 123.08 1auw s SER 421 Ca 0.72 1.10 0.34 0.00 1.31 0.00 0.00 55.95 59.42 1auw s SER 421 Cb -0.06 -1.93 1.49 0.00 0.21 0.00 0.00 66.02 65.73 1auw s SER 421 CO 0.05 -1.29 1.81 0.77 0.41 0.00 0.00 173.24 174.98 1auw h SER 422 N -0.59 0.06 0.16 2.44 4.64 -1.97 -0.18 113.55 118.13 1auw h SER 422 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1auw h SER 422 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1auw h SER 422 CO 0.63 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1auw n ASP 423 N -4.25 0.00 0.22 4.97 5.75 -1.26 -2.53 116.55 119.44 1auw n ASP 423 Ca 0.25 0.27 0.15 0.00 -0.01 0.00 0.00 54.79 55.45 1auw n ASP 423 Cb 1.18 -0.34 0.75 0.00 -1.03 0.00 0.00 41.12 41.67 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 0.00 -0.99 2.12 3.04 -1.38 -2.46 116.25 116.58 1auw h VAL 424 Ca 0.00 -0.09 0.03 0.00 -1.01 0.00 0.00 66.70 65.63 1auw h VAL 424 Cb 0.08 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 30.11 1auw h VAL 424 CO 0.00 0.00 0.65 0.77 -1.01 0.00 0.00 177.57 177.98 1auw h SER 425 N 0.00 1.09 0.01 3.17 4.64 -1.75 -1.69 113.55 119.04 1auw h SER 425 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1auw h SER 425 Cb 0.12 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1auw h SER 425 CO 0.00 0.76 0.00 1.56 -0.87 0.00 0.00 176.83 178.28 1auw h GLN 426 N 1.28 0.00 -0.54 4.77 4.20 -1.72 -1.72 115.11 121.37 1auw h GLN 426 Ca 0.39 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.02 1auw h GLN 426 Cb -0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1auw h GLN 426 CO -0.11 0.00 0.02 0.28 -0.67 0.00 0.00 178.83 178.35 1auw h VAL 427 N 0.00 1.25 0.00 -0.54 2.07 -1.49 -3.29 116.25 114.25 1auw h VAL 427 Ca 0.00 -1.05 -0.58 0.00 0.82 0.00 0.00 66.70 65.89 1auw h VAL 427 Cb 0.01 0.81 0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1auw h VAL 427 CO 0.00 0.38 3.17 0.49 0.02 0.00 0.00 177.57 181.63 1auw n PHE 428 N -4.20 1.99 -3.64 1.57 3.72 -0.65 -4.70 117.46 111.55 1auw n PHE 428 Ca 0.03 -2.77 -0.12 0.00 -0.05 0.00 0.00 57.45 54.54 1auw n PHE 428 Cb 0.31 -2.30 -0.12 0.00 -0.94 0.00 0.00 39.48 36.43 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 2.25 0.22 0.42 4.37 3.84 -1.24 -5.06 114.94 119.75 1auw s ASN 429 Ca 0.67 0.65 0.08 0.00 0.21 0.00 0.00 52.86 54.47 1auw s ASN 429 Cb 0.19 0.90 0.91 0.00 -0.55 0.00 0.00 41.25 42.70 1auw s ASN 429 CO -0.05 -0.24 2.06 -0.26 -2.79 0.00 0.00 177.10 175.82 1auw h PHE 430 N 8.25 0.42 -0.16 0.43 0.04 -1.92 -0.81 116.94 123.20 1auw h PHE 430 Ca -0.15 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 1auw h PHE 430 Cb 1.12 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1auw h PHE 430 CO 0.32 0.28 -0.42 0.28 -0.60 0.00 0.00 178.31 178.18 1auw h VAL 431 N 0.45 1.35 -0.38 -0.55 2.07 -1.97 -1.98 116.25 115.24 1auw h VAL 431 Ca 0.12 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1auw h VAL 431 Cb -0.02 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1auw h VAL 431 CO -0.02 0.51 0.16 0.78 0.02 0.00 0.00 177.57 179.02 1auw h ASN 432 N 0.20 0.48 0.31 0.57 -0.26 -1.79 -0.54 115.58 114.55 1auw h ASN 432 Ca -0.01 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 1auw h ASN 432 Cb 1.03 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1auw h ASN 432 CO 0.09 0.43 -0.15 -1.28 -1.06 0.00 0.00 177.43 175.46 1auw h SER 433 N 0.54 -0.35 -0.39 5.81 0.87 -0.91 -2.68 113.55 116.44 1auw h SER 433 Ca 0.13 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1auw h SER 433 Cb 0.09 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1auw h SER 433 CO -0.02 -0.25 0.22 0.58 -0.53 0.00 0.00 176.83 176.84 1auw h VAL 434 N -0.41 1.13 0.00 2.23 2.07 -0.75 -2.72 116.25 117.81 1auw h VAL 434 Ca -0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1auw h VAL 434 Cb 0.32 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1auw h VAL 434 CO 0.07 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1auw n GLU 435 N -4.42 0.60 0.09 1.57 -0.58 -0.27 -3.02 120.64 114.61 1auw n GLU 435 Ca 0.03 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1auw n GLU 435 Cb 0.10 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 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 0.14 -4.14 3.49 4.20 -1.46 -3.39 115.11 113.96 1auw h GLN 436 Ca 0.00 -0.16 -0.72 0.00 0.06 0.00 0.00 58.65 57.83 1auw h GLN 436 Cb 0.01 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 1auw h GLN 436 CO 0.00 0.93 2.77 0.66 -0.67 0.00 0.00 178.83 182.52 1auw n TYR 437 N -3.62 3.59 0.79 2.96 4.01 -1.17 -4.61 117.16 119.12 1auw n TYR 437 Ca -0.03 -2.94 0.12 0.00 -0.16 0.00 0.00 57.90 54.89 1auw n TYR 437 Cb 0.81 -2.44 0.15 0.00 -0.31 0.00 0.00 39.34 37.55 1auw n TYR 437 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1auw n THR 438 N 4.89 0.12 -1.83 -0.72 -2.24 -1.26 -0.46 114.28 112.78 1auw n THR 438 Ca 0.49 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.76 1auw n THR 438 Cb 0.39 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1auw n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1auw s ALA 439 N -3.09 2.84 0.00 6.98 0.00 -1.26 -4.66 121.76 122.57 1auw s ALA 439 Ca 0.08 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1auw s ALA 439 Cb 0.16 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1auw s ALA 439 CO 0.74 -1.30 0.00 1.28 0.00 0.00 0.00 175.76 176.48 1auw n LEU 440 N -0.96 0.00 -1.35 0.00 7.99 -1.26 -1.05 117.00 120.36 1auw n LEU 440 Ca 0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 56.05 1auw n LEU 440 Cb 0.45 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.98 1auw n LEU 440 CO 0.52 0.00 0.82 0.61 -1.51 0.00 0.00 177.39 177.83 1auw n GLY 441 N -0.64 4.53 0.88 -0.72 0.00 -1.26 -4.77 105.19 103.21 1auw n GLY 441 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.90 -0.08 0.05 -0.02 0.00 -0.22 -5.01 105.19 99.02 1auw n GLY 442 Ca 0.35 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.01 0.28 -1.61 2.61 -1.04 -1.17 -3.97 114.28 107.37 1auw n THR 443 Ca 0.04 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.48 1auw n THR 443 Cb 0.13 -0.28 0.03 0.00 -1.82 0.00 0.00 70.33 68.39 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 -1.68 0.20 -0.34 2.41 0.00 0.39 -4.60 120.51 116.90 1auw n ALA 444 Ca 0.05 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.79 1auw n ALA 444 Cb 0.39 -2.09 0.37 0.00 0.00 0.00 0.00 19.45 18.12 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 1.20 0.65 -0.56 0.00 3.64 -1.88 0.16 116.57 119.79 1auw h LYS 445 Ca -0.46 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1auw h LYS 445 Cb 1.35 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1auw h LYS 445 CO 0.55 0.43 0.35 0.66 -2.27 0.00 0.00 179.45 179.17 1auw h SER 446 N 0.67 0.66 -0.26 4.20 4.64 -1.93 -0.18 113.55 121.36 1auw h SER 446 Ca 0.58 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.80 1auw h SER 446 Cb 1.02 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1auw h SER 446 CO -0.36 0.51 -0.03 0.28 -0.87 0.00 0.00 176.83 176.36 1auw h SER 447 N 0.75 0.47 0.21 4.97 0.02 -1.00 -1.12 113.55 117.85 1auw h SER 447 Ca 0.20 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1auw h SER 447 Cb -0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1auw h SER 447 CO -0.04 0.69 -0.27 0.58 -1.14 0.00 0.00 176.83 176.65 1auw h VAL 448 N 0.23 0.42 -0.94 2.27 2.07 -0.98 -0.18 116.25 119.14 1auw h VAL 448 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1auw h VAL 448 Cb 0.47 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1auw h VAL 448 CO 0.02 0.00 0.57 0.74 0.02 0.00 0.00 177.57 178.92 1auw h THR 449 N -0.54 0.92 -0.89 2.57 2.02 -0.96 0.12 112.91 116.16 1auw h THR 449 Ca 0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1auw h THR 449 Cb 0.52 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1auw h THR 449 CO -0.10 0.17 0.51 0.74 0.37 0.00 0.00 175.52 177.21 1auw h THR 450 N 0.93 1.25 -0.20 3.16 2.02 -0.46 -1.81 112.91 117.80 1auw h THR 450 Ca 0.46 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1auw h THR 450 Cb 0.43 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1auw h THR 450 CO -0.26 0.27 0.07 1.56 0.37 0.00 0.00 175.52 177.54 1auw h GLN 451 N 1.23 0.30 -0.92 6.66 4.20 0.99 -0.73 115.11 126.84 1auw h GLN 451 Ca 0.31 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.09 1auw h GLN 451 Cb -0.01 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.64 1auw h GLN 451 CO -0.05 0.38 0.55 0.82 -0.67 0.00 0.00 178.83 179.86 1auw h ILE 452 N 0.15 0.87 0.12 2.54 2.04 -0.72 0.72 117.51 123.23 1auw h ILE 452 Ca 0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1auw h ILE 452 Cb 0.20 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1auw h ILE 452 CO -0.00 0.16 -0.06 -0.33 0.00 0.00 0.00 178.15 177.91 1auw h GLU 453 N 0.85 -0.15 -0.42 2.37 4.39 -0.99 -1.90 114.58 118.72 1auw h GLU 453 Ca 0.47 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.24 1auw h GLU 453 Cb 0.52 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1auw h GLU 453 CO -0.29 0.20 0.09 1.96 -1.16 0.00 0.00 179.01 179.80 1auw h GLN 454 N -0.53 0.21 -0.82 2.33 4.20 -0.46 -1.25 115.11 118.79 1auw h GLN 454 Ca -0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1auw h GLN 454 Cb 0.42 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1auw h GLN 454 CO 0.03 0.14 0.35 -0.07 -0.67 0.00 0.00 178.83 178.61 1auw h LEU 455 N 0.22 1.11 -1.23 1.46 3.38 -0.89 -1.55 115.31 117.81 1auw h LEU 455 Ca 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1auw h LEU 455 Cb 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1auw h LEU 455 CO -0.26 0.96 0.19 0.03 0.09 0.00 0.00 178.44 179.45 1auw h ARG 456 N 1.18 0.73 -0.16 1.13 3.08 -0.66 -0.35 114.38 119.33 1auw h ARG 456 Ca 0.28 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 1auw h ARG 456 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1auw h ARG 456 CO -0.03 0.61 -0.50 0.93 -1.07 0.00 0.00 179.97 179.92 1auw h GLU 457 N 0.72 0.44 -0.01 0.04 4.39 -0.73 -2.70 114.58 116.73 1auw h GLU 457 Ca 0.17 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1auw h GLU 457 Cb 0.16 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1auw h GLU 457 CO -0.01 0.84 0.00 1.25 -1.16 0.00 0.00 179.01 179.93 1auw h LEU 458 N 0.35 0.01 -1.60 1.33 5.85 -0.26 -2.19 115.31 118.79 1auw h LEU 458 Ca 0.02 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1auw h LEU 458 Cb 1.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1auw h LEU 458 CO 0.09 0.19 0.43 0.24 -0.34 0.00 0.00 178.44 179.04 1auw h MET 459 N -0.17 0.43 -0.65 1.25 2.86 -1.08 -0.27 114.93 117.29 1auw h MET 459 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1auw h MET 459 Cb 0.18 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1auw h MET 459 CO -0.00 0.28 0.41 0.87 1.06 0.00 0.00 176.91 179.53 1auw h LYS 460 N 0.44 0.88 0.00 1.72 1.57 -1.06 0.15 116.57 120.26 1auw h LYS 460 Ca 0.30 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1auw h LYS 460 Cb 0.58 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1auw h LYS 460 CO -0.09 0.61 0.00 1.63 -0.57 0.00 0.00 179.45 181.03 1auw n LYS 461 N -4.60 0.06 -1.94 3.15 4.01 -0.20 -4.87 118.16 113.77 1auw n LYS 461 Ca 0.05 0.25 -0.02 0.00 -0.51 0.00 0.00 58.31 58.08 1auw n LYS 461 Cb 0.04 -1.60 -0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1auw n LYS 461 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1auw n GLN 462 N -1.71 -0.16 0.00 1.97 1.13 0.52 -5.11 117.38 114.02 1auw n GLN 462 Ca 0.04 0.14 0.08 0.00 -1.94 0.00 0.00 57.00 55.32 1auw n GLN 462 Cb 0.22 -3.75 0.07 0.00 0.11 0.00 0.00 30.24 26.89 1auw n GLN 462 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25