#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 6.47 0.27 8.00 2.15 -1.26 -4.90 116.67 127.40 1auw s ASP 18 Ca 0.00 2.89 -0.01 0.00 0.43 0.00 0.00 52.55 55.87 1auw s ASP 18 Cb 0.00 -2.65 0.51 0.00 -0.30 0.00 0.00 42.92 40.48 1auw s ASP 18 CO 0.00 -0.81 1.82 1.55 -0.17 0.00 0.00 175.17 177.56 1auw h PRO 19 N 4.09 0.87 -0.14 4.34 0.13 -2.06 -0.70 132.00 138.53 1auw h PRO 19 Ca -0.48 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.44 1auw h PRO 19 Cb 1.23 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1auw h PRO 19 CO 0.72 0.58 -0.50 0.82 -0.23 0.00 0.00 178.00 179.39 1auw h ILE 20 N 0.90 1.34 -0.41 -3.56 2.04 -1.99 -2.28 117.51 113.55 1auw h ILE 20 Ca 0.47 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1auw h ILE 20 Cb 0.47 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1auw h ILE 20 CO -0.27 0.54 0.15 -0.03 0.00 0.00 0.00 178.15 178.55 1auw h MET 21 N 0.23 0.59 -0.59 2.37 4.05 -1.86 0.14 114.93 119.87 1auw h MET 21 Ca -0.02 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.22 1auw h MET 21 Cb 1.12 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.79 1auw h MET 21 CO 0.11 0.50 -0.02 0.93 0.23 0.00 0.00 176.91 178.65 1auw h GLU 22 N 0.59 1.06 -0.64 0.39 5.08 -1.06 -0.72 114.58 119.27 1auw h GLU 22 Ca 0.14 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1auw h GLU 22 Cb 0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1auw h GLU 22 CO -0.01 1.04 0.07 -0.22 -1.00 0.00 0.00 179.01 178.89 1auw h LYS 23 N 0.96 1.08 0.00 2.33 3.64 -0.67 -1.94 116.57 121.96 1auw h LYS 23 Ca 0.17 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1auw h LYS 23 Cb 0.58 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1auw h LYS 23 CO 0.03 1.01 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.94 1auw h LEU 24 N 0.99 0.00 0.00 5.20 3.38 -0.59 -2.63 115.31 121.66 1auw h LEU 24 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1auw h LEU 24 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1auw h LEU 24 CO 0.02 0.21 -0.48 0.78 0.09 0.00 0.00 178.44 179.06 1auw h ASN 25 N 0.00 0.00 -3.25 -0.43 2.35 -0.60 -3.46 115.58 110.19 1auw h ASN 25 Ca -0.00 -0.09 -0.53 0.00 -0.55 0.00 0.00 56.30 55.13 1auw h ASN 25 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1auw h ASN 25 CO 0.03 0.04 0.53 -0.44 -1.65 0.00 0.00 177.43 175.94 1auw s SER 26 N -4.89 7.13 0.00 5.81 0.01 -0.78 -4.89 113.70 116.09 1auw s SER 26 Ca 0.06 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1auw s SER 26 Cb 0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1auw s SER 26 CO 0.70 -0.42 0.26 -1.54 0.41 0.00 0.00 173.24 172.65 1auw n SER 27 N 3.80 0.53 0.28 2.44 3.41 -0.74 -4.71 113.62 118.62 1auw n SER 27 Ca 0.08 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 1auw n SER 27 Cb 0.47 0.27 0.65 0.00 -0.26 0.00 0.00 64.21 65.34 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 0.13 0.00 -0.38 -1.33 6.09 -1.71 0.41 117.51 120.73 1auw h ILE 28 Ca 0.00 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.38 1auw h ILE 28 Cb 0.07 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 37.87 1auw h ILE 28 CO 0.00 0.00 -0.20 0.00 -3.07 0.00 0.00 178.15 174.88 1auw h ALA 29 N 1.27 0.93 0.00 0.18 0.00 -1.87 -3.37 119.26 116.40 1auw h ALA 29 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1auw h ALA 29 Cb 0.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1auw h ALA 29 CO 0.00 0.62 -0.73 2.48 0.00 0.00 0.00 179.25 181.61 1auw n TYR 30 N -4.12 0.00 1.77 0.00 0.18 -0.04 -4.73 117.16 110.22 1auw n TYR 30 Ca 0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.94 1auw n TYR 30 Cb 0.42 0.00 0.81 0.00 -0.38 0.00 0.00 39.34 40.18 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 -1.25 0.33 -0.26 9.48 5.75 -0.19 -3.99 116.55 126.43 1auw n ASP 31 Ca 0.00 -0.95 0.20 0.00 -0.01 0.00 0.00 54.79 54.04 1auw n ASP 31 Cb 0.00 -0.04 0.52 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.50 0.38 0.00 0.11 4.20 -1.80 0.13 115.11 118.63 1auw h GLN 32 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1auw h GLN 32 Cb 0.17 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1auw h GLN 32 CO 0.00 0.25 0.00 2.89 -0.67 0.00 0.00 178.83 181.30 1auw n ARG 33 N -4.52 0.01 -0.20 1.46 1.85 -1.26 -0.98 116.66 113.03 1auw n ARG 33 Ca 0.20 0.39 0.09 0.00 -1.00 0.00 0.00 57.85 57.53 1auw n ARG 33 Cb 0.74 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.90 1auw n ARG 33 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1auw n LEU 34 N -1.47 2.45 -0.00 2.89 4.32 0.44 -4.51 117.00 121.12 1auw n LEU 34 Ca 0.01 -1.16 -0.09 0.00 -0.02 0.00 0.00 56.01 54.75 1auw n LEU 34 Cb 0.05 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.56 1auw n LEU 34 CO 0.04 0.58 0.79 0.77 -1.22 0.00 0.00 177.39 178.35 1auw h SER 35 N 2.85 -0.34 -0.59 -1.43 4.64 -1.22 -1.41 113.55 116.06 1auw h SER 35 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1auw h SER 35 Cb 0.64 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1auw h SER 35 CO 0.00 -0.14 0.38 -0.33 -0.87 0.00 0.00 176.83 175.86 1auw h GLU 36 N -0.12 0.78 0.00 4.77 4.39 -1.84 -1.86 114.58 120.69 1auw h GLU 36 Ca 0.08 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1auw h GLU 36 Cb 0.25 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1auw h GLU 36 CO -0.20 0.53 -0.25 -0.39 -1.16 0.00 0.00 179.01 177.55 1auw h VAL 37 N 0.79 0.67 0.23 3.13 -1.51 -1.82 -0.94 116.25 116.81 1auw h VAL 37 Ca 0.21 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 1auw h VAL 37 Cb -0.07 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1auw h VAL 37 CO -0.04 0.24 -0.11 -0.78 -1.23 0.00 0.00 177.57 175.65 1auw h ASP 38 N 0.00 -0.27 -0.75 4.19 3.58 -0.77 -1.75 116.42 120.65 1auw h ASP 38 Ca -0.00 -0.23 0.13 0.00 0.42 0.00 0.00 57.03 57.35 1auw h ASP 38 Cb 0.69 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 1auw h ASP 38 CO 0.03 0.12 0.33 0.40 -2.88 0.00 0.00 179.24 177.24 1auw h ILE 39 N -0.69 0.72 -0.76 2.25 2.04 -1.05 0.49 117.51 120.51 1auw h ILE 39 Ca -0.03 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1auw h ILE 39 Cb 0.48 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1auw h ILE 39 CO 0.05 0.09 0.42 1.56 0.00 0.00 0.00 178.15 180.28 1auw h GLN 40 N 0.51 1.04 -0.27 2.37 4.20 -1.07 0.51 115.11 122.41 1auw h GLN 40 Ca 0.40 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 1auw h GLN 40 Cb 0.56 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1auw h GLN 40 CO -0.36 0.76 -0.24 0.78 -0.67 0.00 0.00 178.83 179.10 1auw h GLY 41 N 1.09 0.69 1.03 3.46 0.00 -0.06 -2.62 103.07 106.65 1auw h GLY 41 Ca 0.27 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1auw h GLY 41 CO -0.05 0.63 0.44 1.76 0.00 0.00 0.00 176.54 179.33 1auw h SER 42 N 0.36 1.07 0.17 0.19 0.02 -0.54 0.02 113.55 114.84 1auw h SER 42 Ca 0.05 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1auw h SER 42 Cb 0.80 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1auw h SER 42 CO 0.06 0.88 -0.08 0.24 -1.14 0.00 0.00 176.83 176.79 1auw h MET 43 N 1.19 -0.22 -0.62 3.45 2.07 -0.89 0.11 114.93 120.02 1auw h MET 43 Ca 0.30 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.97 1auw h MET 43 Cb 0.06 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.80 1auw h MET 43 CO -0.04 0.04 0.37 0.00 1.07 0.00 0.00 176.91 178.35 1auw h ALA 44 N 0.33 0.81 -0.76 6.32 0.00 -1.36 -1.73 119.26 122.88 1auw h ALA 44 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1auw h ALA 44 Cb 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1auw h ALA 44 CO 0.04 0.10 0.30 -0.92 0.00 0.00 0.00 179.25 178.77 1auw h TYR 45 N 0.72 1.15 -0.71 0.00 3.20 -0.87 -2.13 116.97 118.33 1auw h TYR 45 Ca 0.26 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1auw h TYR 45 Cb 0.06 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 1auw h TYR 45 CO -0.06 0.88 0.44 0.00 -1.64 0.00 0.00 178.16 177.78 1auw h ALA 46 N 1.15 0.93 -0.50 1.82 0.00 -0.17 -0.20 119.26 122.30 1auw h ALA 46 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1auw h ALA 46 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1auw h ALA 46 CO -0.02 0.22 0.31 0.87 0.00 0.00 0.00 179.25 180.63 1auw h LYS 47 N 0.87 0.67 -0.76 0.00 1.57 -0.87 -1.64 116.57 116.40 1auw h LYS 47 Ca 0.29 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1auw h LYS 47 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1auw h LYS 47 CO -0.11 0.47 0.29 0.00 -0.57 0.00 0.00 179.45 179.53 1auw h ALA 48 N 1.16 1.08 -0.36 3.86 0.00 -0.89 -1.90 119.26 122.20 1auw h ALA 48 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1auw h ALA 48 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1auw h ALA 48 CO -0.04 0.65 0.23 -0.07 0.00 0.00 0.00 179.25 180.02 1auw h LEU 49 N 1.11 0.42 -0.58 0.00 3.38 -0.59 -0.39 115.31 118.67 1auw h LEU 49 Ca 0.25 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1auw h LEU 49 Cb 0.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1auw h LEU 49 CO -0.02 0.32 0.35 -0.08 0.09 0.00 0.00 178.44 179.09 1auw h GLU 50 N 0.48 0.66 -0.14 1.13 4.22 -1.01 -0.88 114.58 119.03 1auw h GLU 50 Ca 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1auw h GLU 50 Cb -0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1auw h GLU 50 CO -0.03 0.44 0.05 -0.22 -2.18 0.00 0.00 179.01 177.07 1auw h LYS 51 N 0.68 0.20 -0.15 1.92 3.64 -0.68 -0.71 116.57 121.47 1auw h LYS 51 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1auw h LYS 51 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1auw h LYS 51 CO -0.10 0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 1auw n ALA 52 N -2.51 2.48 -0.97 5.00 0.00 -0.22 -4.86 120.51 119.43 1auw n ALA 52 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1auw n ALA 52 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1auw n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auw n GLY 53 N 0.76 0.49 0.08 0.00 0.00 -0.27 -4.86 105.19 101.38 1auw n GLY 53 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 1.64 -4.02 -0.61 1.08 -1.41 -3.45 117.51 110.73 1auw h ILE 54 Ca 0.00 -3.13 -0.54 0.00 -0.39 0.00 0.00 64.86 60.80 1auw h ILE 54 Cb 0.17 2.72 -0.23 0.00 -3.07 0.00 0.00 36.82 36.41 1auw h ILE 54 CO 0.00 0.90 -0.82 -0.76 -0.69 0.00 0.00 178.15 176.77 1auw s LEU 55 N -6.95 2.24 0.32 1.44 1.43 -1.17 -4.92 118.68 111.07 1auw s LEU 55 Ca -0.00 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1auw s LEU 55 Cb 0.10 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1auw s LEU 55 CO 0.82 0.08 0.57 0.42 0.23 0.00 0.00 176.35 178.47 1auw s THR 56 N -1.01 5.04 0.25 5.49 -4.23 -1.26 -4.38 115.64 115.54 1auw s THR 56 Ca 0.05 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 1auw s THR 56 Cb -0.09 -3.78 0.24 0.00 1.34 0.00 0.00 72.50 70.20 1auw s THR 56 CO 0.03 -0.44 1.69 0.11 -0.54 0.00 0.00 174.62 175.47 1auw h LYS 57 N 1.28 0.27 -0.52 3.99 1.79 -1.99 0.21 116.57 121.61 1auw h LYS 57 Ca -0.48 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 57.94 1auw h LYS 57 Cb 1.20 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 1auw h LYS 57 CO 0.64 0.18 0.19 0.00 -1.08 0.00 0.00 179.45 179.38 1auw h THR 58 N 0.28 1.20 -0.30 -0.16 1.03 -1.99 -0.15 112.91 112.81 1auw h THR 58 Ca 0.43 -0.64 -0.17 0.00 -0.01 0.00 0.00 66.41 66.01 1auw h THR 58 Cb 0.73 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 68.41 1auw h THR 58 CO -0.51 0.25 -0.49 -0.33 -0.01 0.00 0.00 175.52 174.42 1auw h GLU 59 N 0.74 0.84 -0.34 0.00 5.08 -1.07 -2.29 114.58 117.54 1auw h GLU 59 Ca 0.18 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1auw h GLU 59 Cb 0.18 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1auw h GLU 59 CO -0.01 1.14 0.15 1.25 -1.00 0.00 0.00 179.01 180.53 1auw h LEU 60 N 0.66 0.47 -0.01 1.33 5.85 -0.32 -1.79 115.31 121.49 1auw h LEU 60 Ca 0.03 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1auw h LEU 60 Cb 1.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1auw h LEU 60 CO 0.11 0.49 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.53 1auw h GLU 61 N 0.41 -0.15 -0.58 1.25 4.81 -1.01 0.13 114.58 119.44 1auw h GLU 61 Ca 0.12 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1auw h GLU 61 Cb 0.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1auw h GLU 61 CO -0.01 -0.10 0.37 -0.22 -0.73 0.00 0.00 179.01 178.32 1auw h LYS 62 N -0.15 0.72 0.11 1.92 1.63 -1.31 -1.60 116.57 117.88 1auw h LYS 62 Ca 0.04 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1auw h LYS 62 Cb 0.20 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1auw h LYS 62 CO -0.10 0.47 -0.05 0.82 -3.45 0.00 0.00 179.45 177.14 1auw h ILE 63 N 0.74 1.05 -0.93 2.00 2.04 -1.10 -1.61 117.51 119.69 1auw h ILE 63 Ca 0.22 -0.63 0.13 0.00 1.00 0.00 0.00 64.86 65.59 1auw h ILE 63 Cb -0.03 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 1auw h ILE 63 CO -0.07 0.15 0.55 -0.07 0.00 0.00 0.00 178.15 178.71 1auw h LEU 64 N -0.44 0.77 -0.35 1.44 3.38 -0.83 0.12 115.31 119.40 1auw h LEU 64 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1auw h LEU 64 Cb 0.36 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1auw h LEU 64 CO 0.02 0.38 0.19 0.28 0.09 0.00 0.00 178.44 179.40 1auw h SER 65 N 0.84 0.44 -0.51 -0.43 0.02 -1.15 -0.50 113.55 112.25 1auw h SER 65 Ca 0.48 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1auw h SER 65 Cb 0.55 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1auw h SER 65 CO -0.30 0.41 0.29 1.23 -1.14 0.00 0.00 176.83 177.32 1auw h GLY 66 N 0.43 0.72 0.93 -3.77 0.00 0.07 -1.42 103.07 100.04 1auw h GLY 66 Ca 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1auw h GLY 66 CO -0.02 0.17 0.47 1.41 0.00 0.00 0.00 176.54 178.57 1auw h LEU 67 N 0.57 0.79 -1.09 3.11 3.38 -0.50 -1.66 115.31 119.91 1auw h LEU 67 Ca 0.21 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1auw h LEU 67 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1auw h LEU 67 CO -0.11 0.56 0.33 -0.33 0.09 0.00 0.00 178.44 178.97 1auw h GLU 68 N 0.93 0.97 -0.36 1.13 5.08 -0.40 -1.84 114.58 120.10 1auw h GLU 68 Ca 0.28 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1auw h GLU 68 Cb -0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1auw h GLU 68 CO -0.09 0.75 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.26 1auw h LYS 69 N 0.96 0.67 -0.52 2.33 3.11 -0.40 -1.16 116.57 121.57 1auw h LYS 69 Ca 0.24 -0.25 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 1auw h LYS 69 Cb 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 1auw h LYS 69 CO -0.03 0.82 -0.13 0.82 -2.81 0.00 0.00 179.45 178.12 1auw h ILE 70 N 0.60 1.27 0.05 2.00 2.04 -0.94 -1.56 117.51 120.97 1auw h ILE 70 Ca 0.09 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1auw h ILE 70 Cb 0.66 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1auw h ILE 70 CO 0.05 0.45 -0.13 0.28 0.00 0.00 0.00 178.15 178.80 1auw h SER 71 N 0.88 -0.37 -0.68 1.72 0.02 -0.92 -1.91 113.55 112.28 1auw h SER 71 Ca 0.13 0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.28 1auw h SER 71 Cb 0.71 0.15 -0.12 0.00 0.14 0.00 0.00 62.40 63.28 1auw h SER 71 CO 0.05 -0.19 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.44 1auw h GLU 72 N -0.25 0.09 -0.72 3.45 4.81 -0.93 0.40 114.58 121.43 1auw h GLU 72 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1auw h GLU 72 Cb 0.28 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1auw h GLU 72 CO -0.10 0.06 0.37 0.93 -0.73 0.00 0.00 179.01 179.54 1auw h GLU 73 N 0.09 1.01 -0.22 1.92 5.08 -0.58 -0.88 114.58 120.99 1auw h GLU 73 Ca 0.36 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1auw h GLU 73 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1auw h GLU 73 CO -0.61 0.76 -0.18 -1.49 -1.00 0.00 0.00 179.01 176.48 1auw h TRP 74 N 1.01 0.62 -0.56 4.33 4.06 -0.26 0.24 115.95 125.39 1auw h TRP 74 Ca 0.25 -0.17 0.02 0.00 2.06 0.00 0.00 58.89 61.05 1auw h TRP 74 Cb 0.06 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.05 1auw h TRP 74 CO 0.01 0.84 0.34 0.77 -3.56 0.00 0.00 178.44 176.84 1auw h SER 75 N 0.22 0.56 0.63 -3.49 0.02 -0.80 -1.31 113.55 109.37 1auw h SER 75 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1auw h SER 75 Cb 0.72 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1auw h SER 75 CO 0.05 0.39 0.00 0.29 -1.14 0.00 0.00 176.83 176.42 1auw n LYS 76 N -4.76 0.26 -2.23 3.45 4.76 -0.36 -4.89 118.16 114.39 1auw n LYS 76 Ca 0.04 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 1auw n LYS 76 Cb 0.07 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1auw n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1auw n GLY 77 N 1.04 -0.08 0.40 0.72 0.00 -0.49 -4.92 105.19 101.86 1auw n GLY 77 Ca 0.11 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.01 0.50 -2.22 1.61 0.24 0.78 -5.00 118.33 110.23 1auw n VAL 78 Ca -0.13 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.34 61.01 1auw n VAL 78 Cb 0.60 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.84 3.24 -0.24 6.34 2.19 -0.80 -4.96 117.98 122.91 1auw s PHE 79 Ca 0.13 1.32 -0.07 0.00 0.33 0.00 0.00 56.93 58.65 1auw s PHE 79 Cb 0.08 -3.59 -0.02 0.00 -1.31 0.00 0.00 43.02 38.18 1auw s PHE 79 CO 0.11 -1.72 0.05 0.14 1.83 0.00 0.00 175.22 175.62 1auw s VAL 80 N -0.36 4.13 -0.37 3.12 -7.23 -1.26 -5.00 120.40 113.43 1auw s VAL 80 Ca 0.53 -0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.29 1auw s VAL 80 Cb -0.37 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1auw s VAL 80 CO 0.42 0.36 0.47 -0.69 -0.31 0.00 0.00 175.10 175.35 1auw s VAL 81 N 1.55 5.05 0.68 1.32 1.01 -1.26 -5.06 120.40 123.69 1auw s VAL 81 Ca 0.06 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1auw s VAL 81 Cb -0.15 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1auw s VAL 81 CO 0.02 -0.27 1.06 -1.59 0.00 0.00 0.00 175.10 174.32 1auw s LYS 82 N 2.29 3.05 0.58 2.72 -2.85 -1.26 -4.94 119.74 119.33 1auw s LYS 82 Ca 0.16 0.94 0.28 0.00 -1.00 0.00 0.00 55.97 56.35 1auw s LYS 82 Cb -0.16 -2.00 1.65 0.00 -2.06 0.00 0.00 37.83 35.26 1auw s LYS 82 CO 0.14 -1.01 2.13 1.96 0.10 0.00 0.00 175.35 178.66 1auw h GLN 83 N -0.61 0.00 -0.27 1.78 4.20 -2.06 -1.22 115.11 116.93 1auw h GLN 83 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1auw h GLN 83 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1auw h GLN 83 CO 0.58 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 179.17 1auw n SER 84 N -3.88 1.70 -4.52 1.46 7.64 -1.26 -4.78 113.62 109.98 1auw n SER 84 Ca 0.01 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 1auw n SER 84 Cb 0.28 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1auw n SER 84 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1auw s ASP 85 N -1.19 6.18 0.20 6.43 1.01 -0.46 -4.86 116.67 123.98 1auw s ASP 85 Ca 0.25 -0.58 -0.09 0.00 0.71 0.00 0.00 52.55 52.85 1auw s ASP 85 Cb 0.13 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.69 1auw s ASP 85 CO 0.19 -1.70 1.78 -0.08 0.21 0.00 0.00 175.17 175.57 1auw h GLU 86 N 9.86 1.11 -3.39 8.23 4.57 -1.89 -3.42 114.58 129.65 1auw h GLU 86 Ca -0.28 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1auw h GLU 86 Cb 1.06 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 1auw h GLU 86 CO 1.24 0.89 0.08 0.16 -1.18 0.00 0.00 179.01 180.20 1auw s ASP 87 N -6.25 0.14 0.21 1.04 1.47 -1.26 -1.80 116.67 110.23 1auw s ASP 87 Ca -0.13 -1.07 -0.09 0.00 1.18 0.00 0.00 52.55 52.44 1auw s ASP 87 Cb 0.15 0.73 0.22 0.00 -0.34 0.00 0.00 42.92 43.68 1auw s ASP 87 CO 0.82 -1.42 1.85 -0.29 0.68 0.00 0.00 175.17 176.81 1auw h ILE 88 N 2.08 1.08 -0.88 2.11 6.09 -1.88 -0.46 117.51 125.65 1auw h ILE 88 Ca -0.27 -0.30 0.02 0.00 -1.37 0.00 0.00 64.86 62.94 1auw h ILE 88 Cb 1.25 0.13 -0.05 0.00 0.47 0.00 0.00 36.82 38.62 1auw h ILE 88 CO 0.36 0.16 0.57 0.78 -3.07 0.00 0.00 178.15 176.95 1auw h ASN 89 N 0.88 0.97 -0.15 2.19 2.35 -1.95 -2.19 115.58 117.67 1auw h ASN 89 Ca 0.30 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1auw h ASN 89 Cb 0.05 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1auw h ASN 89 CO -0.12 0.68 -0.02 0.74 -1.65 0.00 0.00 177.43 177.05 1auw h THR 90 N 1.14 1.28 -0.23 2.81 2.02 -1.83 -2.50 112.91 115.60 1auw h THR 90 Ca 0.34 -0.94 0.06 0.00 0.77 0.00 0.00 66.41 66.63 1auw h THR 90 Cb -0.06 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 1auw h THR 90 CO -0.10 0.28 -0.25 0.00 0.37 0.00 0.00 175.52 175.82 1auw h ALA 91 N 0.73 -0.15 -0.35 6.16 0.00 -0.69 -1.28 119.26 123.69 1auw h ALA 91 Ca 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1auw h ALA 91 Cb 0.44 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1auw h ALA 91 CO 0.01 -0.68 -0.02 -0.91 0.00 0.00 0.00 179.25 177.65 1auw h ASN 92 N -0.26 0.52 -0.10 0.00 2.35 -1.45 -1.85 115.58 114.80 1auw h ASN 92 Ca 0.13 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1auw h ASN 92 Cb 0.46 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1auw h ASN 92 CO -0.38 0.61 0.03 -0.33 -1.65 0.00 0.00 177.43 175.71 1auw h GLU 93 N 0.53 0.15 -0.39 0.81 5.08 -0.90 -0.94 114.58 118.92 1auw h GLU 93 Ca 0.11 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1auw h GLU 93 Cb 0.37 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1auw h GLU 93 CO 0.01 0.29 0.15 -0.09 -1.00 0.00 0.00 179.01 178.38 1auw h ARG 94 N -0.03 0.31 -0.56 2.33 2.43 -1.08 -1.24 114.38 116.53 1auw h ARG 94 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1auw h ARG 94 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1auw h ARG 94 CO -0.00 0.21 0.30 -0.09 -1.51 0.00 0.00 179.97 178.87 1auw h ARG 95 N 0.32 0.78 -0.41 0.20 9.65 -1.16 0.66 114.38 124.43 1auw h ARG 95 Ca 0.18 -0.08 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1auw h ARG 95 Cb 0.14 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1auw h ARG 95 CO -0.17 0.58 -0.19 1.25 2.80 0.00 0.00 179.97 184.25 1auw h LEU 96 N 0.78 0.79 -0.51 3.80 5.85 -0.39 0.83 115.31 126.46 1auw h LEU 96 Ca 0.20 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1auw h LEU 96 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1auw h LEU 96 CO -0.03 0.97 0.12 0.50 -0.34 0.00 0.00 178.44 179.66 1auw h LYS 97 N 0.69 0.82 0.00 1.25 1.63 -0.34 0.80 116.57 121.41 1auw h LYS 97 Ca 0.10 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 1auw h LYS 97 Cb 0.69 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1auw h LYS 97 CO 0.05 0.78 -0.26 0.93 -3.45 0.00 0.00 179.45 177.51 1auw h GLU 98 N 0.71 0.00 0.00 1.90 5.08 -0.41 0.54 114.58 122.39 1auw h GLU 98 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1auw h GLU 98 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1auw h GLU 98 CO 0.00 0.26 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.02 1auw h LEU 99 N 0.00 0.00 -0.75 1.33 3.38 -0.31 -3.42 115.31 115.54 1auw h LEU 99 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 99 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1auw h LEU 99 CO 0.03 0.38 -0.53 2.30 0.09 0.00 0.00 178.44 180.71 1auw n ILE 100 N -3.60 0.00 -3.92 1.22 -5.35 0.22 -5.09 119.36 102.85 1auw n ILE 100 Ca -0.03 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1auw n ILE 100 Cb 0.09 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 1.42 -1.67 0.58 3.28 0.00 0.18 -4.40 105.19 104.58 1auw n GLY 101 Ca 0.09 -1.36 0.42 0.00 0.00 0.00 0.00 46.02 45.17 1auw n GLY 101 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1auw h ASP 102 N 0.00 0.09 0.38 1.61 5.19 -1.92 0.52 116.42 122.29 1auw h ASP 102 Ca 0.00 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1auw h ASP 102 Cb 0.00 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1auw h ASP 102 CO 0.00 -0.04 -0.02 0.16 -3.12 0.00 0.00 179.24 176.22 1auw h ILE 103 N 0.05 0.12 -0.47 0.35 3.07 -1.97 -1.23 117.51 117.42 1auw h ILE 103 Ca 0.77 -0.25 0.05 0.00 1.55 0.00 0.00 64.86 66.97 1auw h ILE 103 Cb 2.85 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 40.59 1auw h ILE 103 CO -0.12 0.02 0.32 0.00 -1.05 0.00 0.00 178.15 177.31 1auw h ALA 104 N 1.98 1.87 0.00 0.16 0.00 -1.17 -1.02 119.26 121.08 1auw h ALA 104 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1auw h ALA 104 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1auw h ALA 104 CO 0.00 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.09 1auw h GLY 105 N 0.46 0.00 2.00 0.00 0.00 -1.41 -1.66 103.07 102.46 1auw h GLY 105 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1auw h GLY 105 CO -0.05 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.99 1auw h LYS 106 N 0.00 0.00 -0.54 4.80 1.57 -1.34 -3.30 116.57 117.76 1auw h LYS 106 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1auw h LYS 106 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1auw h LYS 106 CO 0.00 0.00 0.22 1.25 -0.57 0.00 0.00 179.45 180.35 1auw h LEU 107 N 0.00 0.70 -0.61 2.94 6.46 -1.45 -2.32 115.31 121.03 1auw h LEU 107 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1auw h LEU 107 Cb 0.84 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1auw h LEU 107 CO 0.00 0.63 0.00 1.57 -0.62 0.00 0.00 178.44 180.02 1auw n HIS 108 N -4.34 0.20 -1.95 1.25 -0.00 -1.24 -4.77 115.22 104.38 1auw n HIS 108 Ca 0.04 -0.09 -0.43 0.00 0.46 0.00 0.00 57.72 57.70 1auw n HIS 108 Cb 0.15 -0.02 -0.03 0.00 -0.12 0.00 0.00 29.99 29.98 1auw n HIS 108 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1auw s THR 109 N -1.76 3.45 0.00 3.57 2.01 -0.88 -2.05 115.64 119.98 1auw s THR 109 Ca 0.09 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1auw s THR 109 Cb 0.05 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1auw s THR 109 CO 0.06 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 1auw n GLY 110 N 4.91 0.91 3.84 4.40 0.00 -1.26 -5.03 105.19 112.97 1auw n GLY 110 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1auw n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1auw s ARG 111 N -0.01 3.22 0.12 1.61 3.52 -0.87 -4.61 118.95 121.94 1auw s ARG 111 Ca 0.00 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.21 1auw s ARG 111 Cb 0.00 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1auw s ARG 111 CO 0.00 0.64 -0.16 0.45 -0.81 0.00 0.00 175.30 175.42 1auw s SER 112 N -2.03 2.20 0.46 -2.12 0.15 -1.26 -4.96 113.70 106.14 1auw s SER 112 Ca 0.27 -0.78 0.17 0.00 0.70 0.00 0.00 55.95 56.30 1auw s SER 112 Cb -0.12 -0.10 1.09 0.00 -1.71 0.00 0.00 66.02 65.18 1auw s SER 112 CO 0.19 -0.08 2.01 0.03 1.20 0.00 0.00 173.24 176.59 1auw h ARG 113 N 3.61 0.00 -0.61 5.44 2.47 -1.99 -2.31 114.38 120.99 1auw h ARG 113 Ca -0.41 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.35 1auw h ARG 113 Cb 1.20 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1auw h ARG 113 CO 0.48 0.17 0.36 -0.91 0.56 0.00 0.00 179.97 180.62 1auw h ASN 114 N 0.00 0.56 0.40 7.04 4.21 -1.91 -0.72 115.58 125.16 1auw h ASN 114 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1auw h ASN 114 Cb 0.31 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1auw h ASN 114 CO 0.02 0.38 -0.64 -0.90 -1.29 0.00 0.00 177.43 175.00 1auw n ASP 115 N -4.77 0.62 -0.02 5.81 5.75 -1.07 -3.98 116.55 118.89 1auw n ASP 115 Ca 0.06 -0.40 -0.12 0.00 -0.01 0.00 0.00 54.79 54.32 1auw n ASP 115 Cb 0.12 0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 40.55 1auw n ASP 115 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1auw h GLN 116 N 0.00 -0.06 -0.38 0.11 4.20 -0.88 -3.07 115.11 115.02 1auw h GLN 116 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1auw h GLN 116 Cb 0.52 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 1auw h GLN 116 CO 0.00 0.58 -0.13 0.28 -0.67 0.00 0.00 178.83 178.89 1auw h VAL 117 N -0.84 0.55 -0.33 -0.54 2.07 -1.31 0.15 116.25 116.00 1auw h VAL 117 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1auw h VAL 117 Cb 0.67 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1auw h VAL 117 CO 0.01 0.00 -0.07 -0.37 0.02 0.00 0.00 177.57 177.16 1auw h VAL 118 N -0.05 1.22 -0.49 2.57 -1.51 -1.70 -1.32 116.25 114.97 1auw h VAL 118 Ca 0.19 -0.93 -0.11 0.00 -1.23 0.00 0.00 66.70 64.62 1auw h VAL 118 Cb 0.33 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1auw h VAL 118 CO -0.42 0.31 -0.13 0.74 -1.23 0.00 0.00 177.57 176.85 1auw h THR 119 N 0.50 1.27 0.42 7.19 2.02 -1.19 -0.74 112.91 122.38 1auw h THR 119 Ca 0.10 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1auw h THR 119 Cb 0.43 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1auw h THR 119 CO 0.02 0.44 -0.20 0.44 0.37 0.00 0.00 175.52 176.59 1auw h ASP 120 N 0.81 -0.47 -0.06 4.18 3.32 -0.29 -2.01 116.42 121.90 1auw h ASP 120 Ca 0.12 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1auw h ASP 120 Cb 0.69 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1auw h ASP 120 CO 0.05 -0.32 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.10 1auw h LEU 121 N -0.58 -0.24 -0.66 1.55 3.38 -1.18 -0.36 115.31 117.22 1auw h LEU 121 Ca -0.06 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1auw h LEU 121 Cb 0.44 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1auw h LEU 121 CO 0.09 -0.11 0.39 0.11 0.09 0.00 0.00 178.44 179.01 1auw h LYS 122 N -0.11 0.72 0.03 1.13 1.57 -1.16 0.18 116.57 118.94 1auw h LYS 122 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1auw h LYS 122 Cb 0.18 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1auw h LYS 122 CO -0.12 0.48 -0.02 1.25 -0.57 0.00 0.00 179.45 180.46 1auw h LEU 123 N 0.75 -0.06 -0.31 2.94 5.85 -0.94 0.12 115.31 123.65 1auw h LEU 123 Ca 0.28 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1auw h LEU 123 Cb 0.09 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1auw h LEU 123 CO -0.14 -0.04 0.19 0.15 -0.34 0.00 0.00 178.44 178.26 1auw h PHE 124 N -0.06 0.37 -0.71 1.25 3.57 -0.84 -2.53 116.94 117.98 1auw h PHE 124 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1auw h PHE 124 Cb 0.05 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1auw h PHE 124 CO -0.08 0.22 0.39 0.52 -2.23 0.00 0.00 178.31 177.13 1auw h MET 125 N 0.40 0.98 0.03 1.11 2.86 -0.65 0.14 114.93 119.80 1auw h MET 125 Ca 0.12 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1auw h MET 125 Cb -0.03 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 1auw h MET 125 CO -0.04 0.73 -0.23 0.87 1.06 0.00 0.00 176.91 179.30 1auw h LYS 126 N 0.99 -0.36 -0.88 1.72 1.57 -0.35 0.17 116.57 119.43 1auw h LYS 126 Ca 0.25 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1auw h LYS 126 Cb 0.03 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1auw h LYS 126 CO -0.04 -0.24 0.58 -0.91 -0.57 0.00 0.00 179.45 178.27 1auw h ASN 127 N -0.37 1.00 -0.29 0.86 4.21 -1.18 -2.73 115.58 117.08 1auw h ASN 127 Ca 0.05 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.49 1auw h ASN 127 Cb 0.44 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1auw h ASN 127 CO -0.19 0.72 -0.01 0.28 -1.29 0.00 0.00 177.43 176.95 1auw h SER 128 N 1.18 0.51 0.01 5.81 0.02 -0.41 -3.00 113.55 117.67 1auw h SER 128 Ca 0.32 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1auw h SER 128 Cb -0.13 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1auw h SER 128 CO -0.07 0.70 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.25 1auw h LEU 129 N 0.30 0.00 -0.10 5.07 -0.00 -0.42 -0.91 115.31 119.25 1auw h LEU 129 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 1auw h LEU 129 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1auw h LEU 129 CO 0.02 0.00 -0.26 0.77 -0.00 0.00 0.00 178.44 178.97 1auw h SER 130 N 0.00 0.40 -0.27 -0.43 4.64 -1.35 -2.33 113.55 114.21 1auw h SER 130 Ca -0.00 -0.59 -0.01 0.00 -0.47 0.00 0.00 61.79 60.73 1auw h SER 130 Cb 0.01 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1auw h SER 130 CO 0.00 0.91 0.14 0.40 -0.87 0.00 0.00 176.83 177.42 1auw h ILE 131 N -0.10 1.13 -0.66 0.95 2.04 -1.29 -2.37 117.51 117.21 1auw h ILE 131 Ca -0.00 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1auw h ILE 131 Cb 0.86 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1auw h ILE 131 CO 0.06 0.13 0.41 0.40 0.00 0.00 0.00 178.15 179.15 1auw h ILE 132 N 0.32 1.07 -0.27 -0.67 2.04 -1.23 -1.83 117.51 116.94 1auw h ILE 132 Ca 0.09 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1auw h ILE 132 Cb 0.09 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1auw h ILE 132 CO -0.01 0.14 -0.09 0.77 0.00 0.00 0.00 178.15 178.97 1auw h SER 133 N 0.79 0.41 -0.25 1.72 4.64 -1.26 0.43 113.55 120.02 1auw h SER 133 Ca 0.27 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1auw h SER 133 Cb 0.05 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1auw h SER 133 CO -0.12 0.54 0.05 0.74 -0.87 0.00 0.00 176.83 177.17 1auw h THR 134 N 0.40 0.89 -0.54 2.95 2.02 -0.81 0.13 112.91 117.96 1auw h THR 134 Ca 0.08 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1auw h THR 134 Cb 0.40 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1auw h THR 134 CO 0.02 0.03 -0.02 0.45 0.37 0.00 0.00 175.52 176.37 1auw h HIS 135 N 0.15 1.01 -0.42 3.16 -0.00 -0.78 -1.59 115.15 116.67 1auw h HIS 135 Ca 0.11 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1auw h HIS 135 Cb 0.11 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 1auw h HIS 135 CO -0.15 0.91 0.18 1.25 -0.00 0.00 0.00 177.93 180.12 1auw h LEU 136 N 0.85 0.57 -0.86 2.43 6.46 -0.33 -1.58 115.31 122.84 1auw h LEU 136 Ca 0.15 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.65 1auw h LEU 136 Cb 0.53 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1auw h LEU 136 CO 0.03 0.56 -0.45 -0.07 -0.62 0.00 0.00 178.44 177.89 1auw h LEU 137 N 0.53 0.28 -0.98 2.25 3.38 -0.60 -1.47 115.31 118.71 1auw h LEU 137 Ca 0.14 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1auw h LEU 137 Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1auw h LEU 137 CO -0.01 0.70 -0.11 -0.61 0.09 0.00 0.00 178.44 178.50 1auw h GLN 138 N 0.22 0.62 -0.16 1.13 5.75 -0.96 0.14 115.11 121.86 1auw h GLN 138 Ca 0.02 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 1auw h GLN 138 Cb 0.88 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 1auw h GLN 138 CO 0.07 0.72 -0.06 1.25 -2.65 0.00 0.00 178.83 178.15 1auw h LEU 139 N 0.57 0.33 -0.67 -2.39 6.46 -0.94 -1.67 115.31 117.00 1auw h LEU 139 Ca 0.10 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.42 1auw h LEU 139 Cb 0.52 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1auw h LEU 139 CO 0.03 0.65 0.25 0.40 -0.62 0.00 0.00 178.44 179.15 1auw h ILE 140 N 0.00 1.25 0.32 4.05 2.04 -0.94 -2.31 117.51 121.93 1auw h ILE 140 Ca 0.04 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1auw h ILE 140 Cb 0.52 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1auw h ILE 140 CO 0.02 0.31 -0.19 0.50 0.00 0.00 0.00 178.15 178.79 1auw h LYS 141 N 0.96 -0.47 -0.66 2.37 3.64 -0.67 -1.70 116.57 120.04 1auw h LYS 141 Ca 0.22 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1auw h LYS 141 Cb 0.24 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.05 1auw h LYS 141 CO -0.01 -0.31 -0.01 1.15 -2.27 0.00 0.00 179.45 177.99 1auw h THR 142 N -0.48 0.43 -0.29 1.00 2.02 -1.11 0.13 112.91 114.60 1auw h THR 142 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1auw h THR 142 Cb 0.40 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1auw h THR 142 CO 0.04 0.02 0.14 -0.07 0.37 0.00 0.00 175.52 176.02 1auw h LEU 143 N 0.10 0.39 -0.72 2.58 4.07 -1.17 -1.75 115.31 118.81 1auw h LEU 143 Ca 0.35 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 1auw h LEU 143 Cb 0.58 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1auw h LEU 143 CO -0.58 0.41 0.24 0.58 -1.08 0.00 0.00 178.44 178.00 1auw h VAL 144 N 0.34 1.26 -0.08 1.22 2.07 -0.28 -1.95 116.25 118.83 1auw h VAL 144 Ca 0.10 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1auw h VAL 144 Cb 0.12 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1auw h VAL 144 CO -0.01 0.34 0.01 -0.33 0.02 0.00 0.00 177.57 177.60 1auw h GLU 145 N 1.05 0.13 -0.71 1.57 4.39 -0.65 -2.48 114.58 117.88 1auw h GLU 145 Ca 0.23 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1auw h GLU 145 Cb 0.28 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1auw h GLU 145 CO -0.01 0.34 0.41 -0.09 -1.16 0.00 0.00 179.01 178.50 1auw h ARG 146 N -0.11 0.98 -0.91 2.33 2.43 -1.29 -1.77 114.38 116.04 1auw h ARG 146 Ca 0.02 -0.10 0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1auw h ARG 146 Cb 0.28 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 1auw h ARG 146 CO 0.00 0.72 0.58 0.00 -1.51 0.00 0.00 179.97 179.77 1auw h ALA 147 N 1.21 1.90 -0.09 2.80 0.00 -1.23 -0.28 119.26 123.58 1auw h ALA 147 Ca 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1auw h ALA 147 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1auw h ALA 147 CO -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 1auw h ALA 148 N 1.61 0.12 -0.42 0.00 0.00 -0.86 -2.59 119.26 117.12 1auw h ALA 148 Ca 0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1auw h ALA 148 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1auw h ALA 148 CO -0.22 -0.16 0.12 0.82 0.00 0.00 0.00 179.25 179.81 1auw h ILE 149 N -0.15 1.22 -0.87 0.00 2.04 -0.85 -3.18 117.51 115.72 1auw h ILE 149 Ca 0.02 -0.74 -0.51 0.00 1.00 0.00 0.00 64.86 64.64 1auw h ILE 149 Cb 0.41 0.92 -0.26 0.00 -0.74 0.00 0.00 36.82 37.14 1auw h ILE 149 CO 0.01 0.26 0.65 -0.62 0.00 0.00 0.00 178.15 178.45 1auw n GLU 150 N -4.57 2.24 0.29 2.37 1.02 -0.23 -4.57 120.64 117.19 1auw n GLU 150 Ca -0.00 -2.72 0.19 0.00 -0.02 0.00 0.00 57.16 54.61 1auw n GLU 150 Cb 0.19 -2.07 0.85 0.00 -0.02 0.00 0.00 31.44 30.39 1auw n GLU 150 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1auw h ILE 151 N 0.92 0.05 -0.00 -3.67 2.10 -1.44 -2.59 117.51 112.88 1auw h ILE 151 Ca 0.55 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 66.11 1auw h ILE 151 Cb 1.95 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 39.04 1auw h ILE 151 CO 1.13 0.01 -0.26 0.47 -1.08 0.00 0.00 178.15 178.42 1auw n ASP 152 N -3.13 0.53 -4.74 2.19 8.00 -1.26 -4.81 116.55 113.33 1auw n ASP 152 Ca -0.01 -0.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 1auw n ASP 152 Cb 0.23 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.75 4.19 0.09 2.53 1.01 -0.98 -5.00 120.40 119.50 1auw s VAL 153 Ca 0.19 1.98 0.09 0.00 0.00 0.00 0.00 61.98 64.24 1auw s VAL 153 Cb 0.19 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1auw s VAL 153 CO 0.57 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 175.19 1auw s ILE 154 N -0.53 1.94 0.32 2.22 1.01 -1.26 -0.43 121.20 124.47 1auw s ILE 154 Ca 0.45 -1.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 1auw s ILE 154 Cb -0.26 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1auw s ILE 154 CO 0.32 0.11 0.65 -1.48 0.00 0.00 0.00 174.94 174.54 1auw s LEU 155 N -1.70 0.18 0.42 2.97 2.34 -0.03 -3.89 118.68 118.98 1auw s LEU 155 Ca 0.10 -1.02 -0.24 0.00 0.06 0.00 0.00 54.13 53.03 1auw s LEU 155 Cb -0.10 2.34 -0.09 0.00 -0.56 0.00 0.00 46.19 47.79 1auw s LEU 155 CO 0.04 -1.42 1.08 -2.84 -1.06 0.00 0.00 176.35 172.15 1auw s PRO 156 N -3.23 4.05 -0.17 1.48 0.02 -1.26 -1.22 135.00 134.67 1auw s PRO 156 Ca 0.18 1.58 -0.09 0.00 0.02 0.00 0.00 61.00 62.70 1auw s PRO 156 Cb -0.04 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.94 1auw s PRO 156 CO 0.11 -0.26 0.12 0.20 -0.33 0.00 0.00 177.00 176.85 1auw s GLY 157 N -1.51 2.06 -0.03 0.52 0.00 0.24 -4.75 107.32 103.85 1auw s GLY 157 Ca 0.60 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1auw s GLY 157 CO 0.29 -0.05 -0.04 -0.19 0.00 0.00 0.00 173.10 173.12 1auw s TYR 158 N -0.10 2.99 -0.15 1.90 1.51 -1.26 0.03 117.35 122.26 1auw s TYR 158 Ca 0.10 0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1auw s TYR 158 Cb -0.11 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 1auw s TYR 158 CO 0.00 0.40 0.03 0.99 -1.11 0.00 0.00 175.55 175.86 1auw s THR 159 N -0.95 0.36 -1.06 -0.71 2.01 -0.69 -4.69 115.64 109.91 1auw s THR 159 Ca 0.16 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1auw s THR 159 Cb -0.11 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1auw s THR 159 CO 0.06 -0.07 0.00 1.41 -0.69 0.00 0.00 174.62 175.33 1auw n HIS 160 N 5.12 -0.38 -1.75 4.92 8.25 -1.26 -2.38 115.22 127.74 1auw n HIS 160 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.23 1auw n HIS 160 Cb 0.48 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 29.06 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 -1.55 -1.31 -4.40 2.41 4.77 -1.26 -5.02 117.00 110.64 1auw n LEU 161 Ca -0.13 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1auw n LEU 161 Cb 0.53 -2.22 -0.14 0.00 -2.33 0.00 0.00 43.42 39.27 1auw n LEU 161 CO 0.16 -0.55 -0.53 -1.10 -1.33 0.00 0.00 177.39 174.05 1auw s GLN 162 N -3.81 2.05 0.13 3.23 -1.52 -1.00 -5.06 119.66 113.67 1auw s GLN 162 Ca 0.00 -0.98 -0.31 0.00 -1.95 0.00 0.00 55.36 52.12 1auw s GLN 162 Cb 0.00 -2.12 -0.10 0.00 -0.22 0.00 0.00 33.01 30.57 1auw s GLN 162 CO 0.00 0.55 1.78 0.15 -0.25 0.00 0.00 175.29 177.51 1auw s LYS 163 N -1.14 4.15 -0.13 2.91 1.02 -1.26 -1.70 119.74 123.58 1auw s LYS 163 Ca 0.12 2.55 -0.10 0.00 0.02 0.00 0.00 55.97 58.56 1auw s LYS 163 Cb -0.10 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.64 1auw s LYS 163 CO 0.03 -0.81 -0.23 0.00 -0.92 0.00 0.00 175.35 173.42 1auw n ALA 164 N 5.39 1.72 -3.47 5.17 0.00 0.10 -4.89 120.51 124.53 1auw n ALA 164 Ca 0.17 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1auw n ALA 164 Cb 0.38 0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.46 1.02 0.39 0.00 -2.07 -1.21 -4.81 119.66 110.52 1auw s GLN 165 Ca -0.22 -0.30 -0.27 0.00 -1.82 0.00 0.00 55.36 52.74 1auw s GLN 165 Cb 0.06 0.47 -0.11 0.00 -1.09 0.00 0.00 33.01 32.35 1auw s GLN 165 CO 0.30 -0.43 1.41 -2.30 -1.32 0.00 0.00 175.29 172.95 1auw n PRO 166 N -0.16 2.37 -3.83 9.60 -0.02 -1.26 -0.59 135.00 141.11 1auw n PRO 166 Ca -0.13 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1auw n PRO 166 Cb 0.63 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 1auw n PRO 166 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1auw s ILE 167 N -1.14 0.05 0.15 4.25 -1.09 -0.36 -4.76 121.20 118.29 1auw s ILE 167 Ca 0.56 -0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.30 1auw s ILE 167 Cb -0.49 -0.39 -0.07 0.00 -1.58 0.00 0.00 42.46 39.93 1auw s ILE 167 CO 0.61 -0.21 0.97 -0.13 -1.23 0.00 0.00 174.94 174.95 1auw s ARG 168 N -0.77 4.73 0.27 2.79 0.52 -1.26 -0.85 118.95 124.38 1auw s ARG 168 Ca -0.09 1.48 -0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1auw s ARG 168 Cb -0.05 -3.34 0.56 0.00 0.52 0.00 0.00 34.95 32.64 1auw s ARG 168 CO 0.01 0.28 1.74 2.35 0.02 0.00 0.00 175.30 179.70 1auw h TRP 169 N 5.18 0.70 -0.47 -0.53 -0.00 -1.01 -0.38 115.95 119.44 1auw h TRP 169 Ca -0.43 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.48 1auw h TRP 169 Cb 1.21 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 30.16 1auw h TRP 169 CO 0.64 0.11 0.23 0.77 -0.00 0.00 0.00 178.44 180.19 1auw h SER 170 N 0.55 0.58 0.19 2.65 0.02 -1.78 0.20 113.55 115.96 1auw h SER 170 Ca 0.48 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1auw h SER 170 Cb 0.74 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1auw h SER 170 CO -0.41 0.50 -0.20 -0.61 -1.14 0.00 0.00 176.83 174.97 1auw h GLN 171 N 0.66 0.02 -0.02 3.45 5.75 -1.44 -0.53 115.11 123.00 1auw h GLN 171 Ca 0.17 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.56 1auw h GLN 171 Cb 0.06 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.62 1auw h GLN 171 CO -0.02 0.22 -0.37 0.35 -2.65 0.00 0.00 178.83 176.35 1auw h PHE 172 N 0.02 0.41 -0.57 3.99 3.04 -0.78 -2.77 116.94 120.27 1auw h PHE 172 Ca 0.00 -0.21 -0.04 0.00 3.98 0.00 0.00 57.97 61.70 1auw h PHE 172 Cb 0.36 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1auw h PHE 172 CO 0.00 1.00 0.19 -0.07 -2.02 0.00 0.00 178.31 177.41 1auw h LEU 173 N -0.29 0.78 -1.34 0.59 3.38 -1.07 -2.70 115.31 114.65 1auw h LEU 173 Ca -0.04 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1auw h LEU 173 Cb 1.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1auw h LEU 173 CO 0.07 0.73 -0.31 -0.07 0.09 0.00 0.00 178.44 178.95 1auw h LEU 174 N 0.83 0.00 -1.18 1.67 3.38 -1.12 -2.15 115.31 116.75 1auw h LEU 174 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1auw h LEU 174 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1auw h LEU 174 CO -0.01 0.31 -0.08 0.77 0.09 0.00 0.00 178.44 179.53 1auw h SER 175 N 0.00 0.46 -0.02 -0.43 4.64 -1.18 0.13 113.55 117.15 1auw h SER 175 Ca -0.00 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 1auw h SER 175 Cb 0.63 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1auw h SER 175 CO 0.04 0.58 -0.63 0.45 -0.87 0.00 0.00 176.83 176.40 1auw h HIS 176 N 0.45 0.68 -0.66 4.77 3.86 -1.49 -2.75 115.15 120.01 1auw h HIS 176 Ca 0.09 -0.35 0.01 0.00 -1.16 0.00 0.00 60.37 58.96 1auw h HIS 176 Cb 0.42 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1auw h HIS 176 CO 0.01 1.17 0.43 0.00 0.86 0.00 0.00 177.93 180.40 1auw h ALA 177 N 0.36 0.83 -0.79 2.45 0.00 -1.02 0.24 119.26 121.34 1auw h ALA 177 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1auw h ALA 177 Cb 1.32 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1auw h ALA 177 CO 0.13 0.25 0.49 0.28 0.00 0.00 0.00 179.25 180.40 1auw h VAL 178 N 0.88 1.21 -0.34 0.00 2.07 -0.79 -0.70 116.25 118.59 1auw h VAL 178 Ca 0.24 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1auw h VAL 178 Cb -0.09 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1auw h VAL 178 CO -0.06 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 1auw h ALA 179 N 1.27 0.46 0.00 1.67 0.00 -1.07 -2.87 119.26 118.72 1auw h ALA 179 Ca 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1auw h ALA 179 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1auw h ALA 179 CO -0.06 0.25 -0.10 -0.07 0.00 0.00 0.00 179.25 179.28 1auw h LEU 180 N 0.42 0.00 -0.85 0.00 3.38 -0.54 -1.84 115.31 115.87 1auw h LEU 180 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1auw h LEU 180 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1auw h LEU 180 CO 0.02 0.10 -0.40 0.71 0.09 0.00 0.00 178.44 178.96 1auw h THR 181 N 0.00 1.31 -0.25 0.22 1.35 -0.91 -2.38 112.91 112.24 1auw h THR 181 Ca -0.00 -1.53 -0.05 0.00 -0.55 0.00 0.00 66.41 64.28 1auw h THR 181 Cb 0.17 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1auw h THR 181 CO 0.01 0.47 -0.06 0.03 -0.25 0.00 0.00 175.52 175.71 1auw h ARG 182 N 0.30 0.40 -0.51 4.72 3.08 -1.25 -1.20 114.38 119.91 1auw h ARG 182 Ca 0.03 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1auw h ARG 182 Cb 0.84 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1auw h ARG 182 CO 0.07 0.48 0.13 -0.44 -1.07 0.00 0.00 179.97 179.14 1auw h ASP 183 N 0.38 0.76 -0.53 7.04 3.32 -1.33 -1.21 116.42 124.85 1auw h ASP 183 Ca 0.08 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.94 1auw h ASP 183 Cb 0.36 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1auw h ASP 183 CO 0.02 0.79 0.30 -1.28 -1.72 0.00 0.00 179.24 177.35 1auw h SER 184 N 0.70 0.47 -0.68 6.45 0.87 -0.80 0.31 113.55 120.87 1auw h SER 184 Ca 0.16 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1auw h SER 184 Cb 0.32 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1auw h SER 184 CO -0.00 0.33 0.42 -0.08 -0.53 0.00 0.00 176.83 176.97 1auw h GLU 185 N 0.60 0.78 -0.15 2.24 4.81 -0.74 0.30 114.58 122.41 1auw h GLU 185 Ca 0.22 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1auw h GLU 185 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1auw h GLU 185 CO -0.12 0.52 -0.42 0.00 -0.73 0.00 0.00 179.01 178.25 1auw h ARG 186 N 0.81 0.36 -0.62 1.92 3.08 -0.43 -1.64 114.38 117.86 1auw h ARG 186 Ca 0.28 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1auw h ARG 186 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1auw h ARG 186 CO -0.12 0.72 0.07 1.25 -1.07 0.00 0.00 179.97 180.83 1auw h LEU 187 N 0.30 1.01 -0.53 3.04 6.46 0.61 -1.34 115.31 124.85 1auw h LEU 187 Ca 0.02 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1auw h LEU 187 Cb 0.87 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1auw h LEU 187 CO 0.07 1.03 0.29 1.23 -0.62 0.00 0.00 178.44 180.44 1auw h GLY 188 N 0.95 0.79 1.14 3.75 0.00 -0.69 -2.16 103.07 106.84 1auw h GLY 188 Ca 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1auw h GLY 188 CO 0.02 0.34 0.38 0.83 0.00 0.00 0.00 176.54 178.11 1auw h GLU 189 N 0.70 1.12 -0.11 4.80 5.08 -0.87 -2.39 114.58 122.92 1auw h GLU 189 Ca 0.19 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1auw h GLU 189 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1auw h GLU 189 CO -0.03 0.85 -0.56 -0.39 -1.00 0.00 0.00 179.01 177.89 1auw h VAL 190 N 1.11 1.36 -0.54 3.13 -1.51 -0.97 -2.76 116.25 116.07 1auw h VAL 190 Ca 0.27 -1.85 -0.04 0.00 -1.23 0.00 0.00 66.70 63.85 1auw h VAL 190 Cb 0.10 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 1auw h VAL 190 CO -0.04 0.56 0.17 0.50 -1.23 0.00 0.00 177.57 177.53 1auw h LYS 191 N 0.25 0.81 -0.47 5.19 3.64 -1.01 -0.95 116.57 124.02 1auw h LYS 191 Ca 0.00 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1auw h LYS 191 Cb 1.05 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 1auw h LYS 191 CO 0.09 0.70 0.12 0.87 -2.27 0.00 0.00 179.45 178.96 1auw h LYS 192 N 0.79 0.26 0.00 1.90 1.79 -1.13 -1.16 116.57 119.01 1auw h LYS 192 Ca 0.18 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1auw h LYS 192 Cb 0.23 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1auw h LYS 192 CO -0.01 0.17 -0.04 0.00 -1.08 0.00 0.00 179.45 178.49 1auw h ARG 193 N 0.26 0.00 0.00 3.15 3.08 -1.46 -3.15 114.38 116.27 1auw h ARG 193 Ca 0.23 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 1auw h ARG 193 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1auw h ARG 193 CO -0.28 0.00 -0.57 0.82 -1.07 0.00 0.00 179.97 178.87 1auw h ILE 194 N 0.00 1.04 0.00 2.04 2.04 -0.30 -3.35 117.51 118.97 1auw h ILE 194 Ca 0.00 -2.28 -0.07 0.00 1.00 0.00 0.00 64.86 63.51 1auw h ILE 194 Cb 0.91 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.35 1auw h ILE 194 CO 0.00 0.56 -0.14 -3.20 0.00 0.00 0.00 178.15 175.37 1auw n ASN 195 N -3.33 5.16 -4.07 1.72 2.85 -0.52 -4.80 115.26 112.27 1auw n ASN 195 Ca 0.01 -2.40 -0.29 0.00 -0.11 0.00 0.00 54.58 51.79 1auw n ASN 195 Cb 0.72 -1.20 -0.17 0.00 1.24 0.00 0.00 39.78 40.37 1auw n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1auw s VAL 196 N 0.43 1.53 -0.18 3.44 1.01 -1.26 -1.88 120.40 123.49 1auw s VAL 196 Ca 0.24 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1auw s VAL 196 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1auw s VAL 196 CO 0.00 0.45 1.55 -0.22 0.00 0.00 0.00 175.10 176.87 1auw s LEU 197 N 0.92 4.04 0.02 3.92 2.96 0.10 -4.78 118.68 125.87 1auw s LEU 197 Ca -0.08 1.75 0.22 0.00 -0.22 0.00 0.00 54.13 55.80 1auw s LEU 197 Cb -0.15 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 1auw s LEU 197 CO -0.01 -1.09 0.72 -0.81 -1.32 0.00 0.00 176.35 173.85 1auw n PRO 198 N 7.34 0.49 -1.73 0.98 -0.04 -1.26 -0.57 135.00 140.21 1auw n PRO 198 Ca 0.17 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 1auw n PRO 198 Cb 0.45 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.17 4.55 0.00 1.53 7.94 -1.26 -3.05 117.00 124.55 1auw n LEU 199 Ca -0.01 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1auw n LEU 199 Cb 0.51 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1auw n LEU 199 CO 0.44 -0.35 0.00 0.61 -1.11 0.00 0.00 177.39 176.98 1auw n GLY 200 N 0.67 0.85 0.70 -3.96 0.00 -1.26 -4.96 105.19 97.23 1auw n GLY 200 Ca 0.05 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.74 2.45 0.00 1.61 7.64 -1.17 -3.01 113.62 121.88 1auw n SER 201 Ca 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1auw n SER 201 Cb 0.02 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.03 0.95 0.16 0.23 0.00 -1.22 -1.29 105.19 105.05 1auw n GLY 202 Ca 0.10 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.90 1.01 0.00 4.61 0.00 -1.89 -3.34 119.26 118.75 1auw h ALA 203 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1auw h ALA 203 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1auw h ALA 203 CO 0.00 0.62 0.00 1.47 0.00 0.00 0.00 179.25 181.34 1auw n LEU 204 N -3.70 0.00 -0.17 0.00 -0.00 -1.21 -4.89 117.00 107.03 1auw n LEU 204 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.12 1auw n LEU 204 Cb 0.56 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.22 1auw n LEU 204 CO 0.40 0.00 0.48 0.00 -0.00 0.00 0.00 177.39 178.26 1auw n ALA 205 N -0.02 3.46 0.00 1.47 0.00 -1.25 -2.76 120.51 121.41 1auw n ALA 205 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1auw n ALA 205 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.42 0.38 3.71 0.00 0.00 -0.41 -4.91 105.19 105.38 1auw n GLY 206 Ca 0.09 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.21 6.83 0.00 1.61 3.84 -1.16 -3.38 114.94 121.46 1auw s ASN 207 Ca 0.00 0.99 0.29 0.00 0.21 0.00 0.00 52.86 54.35 1auw s ASN 207 Cb 0.00 -2.36 1.62 0.00 -0.55 0.00 0.00 41.25 39.97 1auw s ASN 207 CO 0.00 -0.10 2.06 -0.81 -2.79 0.00 0.00 177.10 175.45 1auw n PRO 208 N 3.97 1.11 -0.22 0.43 -0.04 -1.26 -3.92 135.00 135.06 1auw n PRO 208 Ca -0.03 -0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1auw n PRO 208 Cb 0.51 -1.46 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 1auw n PRO 208 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1auw n LEU 209 N -0.77 3.52 -2.91 1.53 4.77 -1.26 -4.93 117.00 116.94 1auw n LEU 209 Ca 0.21 -1.57 -0.22 0.00 -0.03 0.00 0.00 56.01 54.41 1auw n LEU 209 Cb 0.14 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1auw n LEU 209 CO 0.16 0.78 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.28 1auw n ASP 210 N 1.50 -5.82 -4.74 -1.43 2.03 -1.25 -4.91 116.55 101.92 1auw n ASP 210 Ca 0.20 -0.23 -0.37 0.00 0.52 0.00 0.00 54.79 54.91 1auw n ASP 210 Cb 0.60 -4.74 0.05 0.00 -0.72 0.00 0.00 41.12 36.31 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 -3.12 2.20 -0.93 5.18 1.10 -1.26 -4.92 121.20 119.44 1auw s ILE 211 Ca 0.24 0.13 -0.22 0.00 -0.51 0.00 0.00 60.65 60.30 1auw s ILE 211 Cb -0.11 -3.06 0.07 0.00 0.15 0.00 0.00 42.46 39.52 1auw s ILE 211 CO 0.30 -0.02 1.29 -0.62 -2.11 0.00 0.00 174.94 173.79 1auw s ASP 212 N -1.30 6.48 0.23 4.50 2.15 -1.26 -4.83 116.67 122.63 1auw s ASP 212 Ca 0.78 -1.50 -0.08 0.00 0.43 0.00 0.00 52.55 52.18 1auw s ASP 212 Cb -0.37 -2.50 0.21 0.00 -0.30 0.00 0.00 42.92 39.96 1auw s ASP 212 CO 0.40 -1.40 1.90 0.03 -0.17 0.00 0.00 175.17 175.94 1auw h ARG 213 N 9.50 1.15 -0.71 4.34 3.08 -1.93 -1.32 114.38 128.50 1auw h ARG 213 Ca 0.10 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.21 1auw h ARG 213 Cb 1.02 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1auw h ARG 213 CO 1.29 0.76 0.48 1.49 -1.07 0.00 0.00 179.97 182.92 1auw h GLU 214 N 1.19 0.42 -0.17 0.04 4.57 -1.98 0.15 114.58 118.81 1auw h GLU 214 Ca 0.32 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.27 1auw h GLU 214 Cb -0.14 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1auw h GLU 214 CO -0.07 0.28 -0.72 1.98 -1.18 0.00 0.00 179.01 179.30 1auw h MET 215 N 0.44 0.73 -0.86 1.92 4.05 -1.66 -2.53 114.93 117.02 1auw h MET 215 Ca 0.34 -0.56 -0.02 0.00 -0.28 0.00 0.00 59.70 59.18 1auw h MET 215 Cb 0.73 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1auw h MET 215 CO -0.11 1.18 0.44 -0.07 0.23 0.00 0.00 176.91 178.59 1auw h LEU 216 N 0.51 1.09 0.81 3.39 3.38 -0.36 -1.71 115.31 122.43 1auw h LEU 216 Ca -0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1auw h LEU 216 Cb 1.33 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1auw h LEU 216 CO 0.15 0.90 -0.47 -0.09 0.09 0.00 0.00 178.44 179.01 1auw h ARG 217 N 1.21 -1.15 -0.60 1.13 2.43 -0.81 -0.71 114.38 115.88 1auw h ARG 217 Ca 0.30 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.67 1auw h ARG 217 Cb 0.07 0.26 -0.11 0.00 -0.42 0.00 0.00 29.97 29.77 1auw h ARG 217 CO -0.04 -0.77 -0.11 0.77 -1.51 0.00 0.00 179.97 178.31 1auw h SER 218 N -1.19 -0.48 -0.16 -3.80 0.02 -1.29 0.50 113.55 107.15 1auw h SER 218 Ca -0.11 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1auw h SER 218 Cb 0.95 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1auw h SER 218 CO 0.12 -0.18 0.06 -0.33 -1.14 0.00 0.00 176.83 175.37 1auw h GLU 219 N 0.03 0.14 -0.00 3.45 4.39 -1.16 -2.85 114.58 118.58 1auw h GLU 219 Ca 0.29 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1auw h GLU 219 Cb 0.46 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1auw h GLU 219 CO -0.59 0.09 -0.14 1.28 -1.16 0.00 0.00 179.01 178.50 1auw n LEU 220 N -5.04 0.21 -0.66 1.33 4.77 -0.29 -4.95 117.00 112.38 1auw n LEU 220 Ca -0.04 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 1auw n LEU 220 Cb 0.05 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1auw n LEU 220 CO 0.31 0.05 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.72 1auw n GLU 221 N -1.36 -0.54 -1.60 3.23 1.02 0.17 -5.04 120.64 116.52 1auw n GLU 221 Ca 0.09 0.65 -0.30 0.00 -0.02 0.00 0.00 57.16 57.57 1auw n GLU 221 Cb 0.31 -4.49 0.06 0.00 -0.02 0.00 0.00 31.44 27.30 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 -2.31 3.03 -0.10 -0.32 0.08 -1.09 -4.99 117.98 112.29 1auw s PHE 222 Ca 0.00 1.28 0.15 0.00 0.12 0.00 0.00 56.93 58.48 1auw s PHE 222 Cb 0.00 -2.99 -0.13 0.00 -0.57 0.00 0.00 43.02 39.34 1auw s PHE 222 CO 0.00 -1.43 0.92 0.00 -0.10 0.00 0.00 175.22 174.61 1auw h ALA 223 N -0.85 0.66 -3.40 5.36 0.00 -1.73 -3.43 119.26 115.87 1auw h ALA 223 Ca -0.45 -0.91 -0.16 0.00 0.00 0.00 0.00 54.91 53.40 1auw h ALA 223 Cb 1.24 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1auw h ALA 223 CO 0.58 1.02 -0.01 -1.13 0.00 0.00 0.00 179.25 179.71 1auw n SER 224 N -3.00 -1.27 -4.29 0.00 3.41 -1.15 -5.05 113.62 102.27 1auw n SER 224 Ca -0.09 -2.38 -0.26 0.00 -0.26 0.00 0.00 58.87 55.89 1auw n SER 224 Cb 0.87 2.26 -0.13 0.00 -0.26 0.00 0.00 64.21 66.95 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 -2.60 1.78 0.32 -1.33 -0.00 -1.26 0.02 121.20 118.13 1auw s ILE 225 Ca 0.19 -1.42 -0.29 0.00 -0.00 0.00 0.00 60.65 59.13 1auw s ILE 225 Cb -0.02 -1.58 -0.12 0.00 -0.00 0.00 0.00 42.46 40.74 1auw s ILE 225 CO 0.14 0.09 1.44 -1.54 -0.00 0.00 0.00 174.94 175.07 1auw n SER 226 N 1.42 3.30 0.08 4.36 3.41 0.27 -4.79 113.62 121.67 1auw n SER 226 Ca -0.18 1.19 -0.07 0.00 -0.26 0.00 0.00 58.87 59.54 1auw n SER 226 Cb 0.53 -1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 62.90 1auw n SER 226 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1auw h LEU 227 N 3.46 0.11 -7.73 1.04 4.07 -2.00 -3.45 115.31 110.82 1auw h LEU 227 Ca -0.47 -0.10 -0.44 0.00 0.08 0.00 0.00 57.88 56.94 1auw h LEU 227 Cb 1.26 -0.04 -0.35 0.00 1.08 0.00 0.00 40.66 42.61 1auw h LEU 227 CO 0.69 0.97 -0.78 0.21 -1.08 0.00 0.00 178.44 178.45 1auw s ASN 228 N -6.84 1.33 0.21 -0.43 3.84 -1.26 -5.05 114.94 106.74 1auw s ASN 228 Ca -0.01 -0.17 -0.10 0.00 0.21 0.00 0.00 52.86 52.79 1auw s ASN 228 Cb 0.10 -0.56 0.18 0.00 -0.55 0.00 0.00 41.25 40.43 1auw s ASN 228 CO 0.82 -0.07 1.85 0.77 -2.79 0.00 0.00 177.10 177.68 1auw h SER 229 N 7.45 0.71 -0.22 -4.21 4.64 -1.88 -1.22 113.55 118.81 1auw h SER 229 Ca -0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1auw h SER 229 Cb 1.15 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1auw h SER 229 CO 0.43 0.49 0.07 0.24 -0.87 0.00 0.00 176.83 177.19 1auw h MET 230 N 0.84 0.35 0.33 4.77 2.86 -1.84 -2.52 114.93 119.72 1auw h MET 230 Ca 0.28 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1auw h MET 230 Cb 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1auw h MET 230 CO -0.11 0.44 -0.16 0.22 1.06 0.00 0.00 176.91 178.37 1auw h ASP 231 N 0.19 -0.38 -0.96 1.22 3.58 -1.86 -1.88 116.42 116.34 1auw h ASP 231 Ca 0.07 -0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.69 1auw h ASP 231 Cb 0.24 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.31 1auw h ASP 231 CO -0.00 -0.25 0.60 0.00 -2.88 0.00 0.00 179.24 176.72 1auw h ALA 232 N 0.20 1.82 -0.00 -0.78 0.00 -1.21 0.50 119.26 119.78 1auw h ALA 232 Ca -0.05 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1auw h ALA 232 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1auw h ALA 232 CO 0.07 -0.12 -0.98 0.82 0.00 0.00 0.00 179.25 179.04 1auw h ILE 233 N 0.70 1.35 0.00 0.00 1.08 -1.32 -3.38 117.51 115.94 1auw h ILE 233 Ca 0.51 -2.36 -0.19 0.00 -0.39 0.00 0.00 64.86 62.43 1auw h ILE 233 Cb 0.86 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.97 1auw h ILE 233 CO -0.27 0.71 -2.04 -1.54 -0.69 0.00 0.00 178.15 174.32 1auw n SER 234 N -3.79 0.18 -4.77 1.72 3.41 -0.72 -4.91 113.62 104.74 1auw n SER 234 Ca -0.08 0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1auw n SER 234 Cb 0.85 1.18 -0.01 0.00 -0.26 0.00 0.00 64.21 65.97 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 -2.95 3.63 -0.01 4.33 4.04 0.17 -4.94 118.70 122.96 1auw s GLU 235 Ca -0.08 1.68 0.13 0.00 0.04 0.00 0.00 54.97 56.74 1auw s GLU 235 Cb 0.09 -2.24 0.21 0.00 0.02 0.00 0.00 34.13 32.21 1auw s GLU 235 CO 0.85 -0.64 1.09 -2.13 -1.84 0.00 0.00 175.26 172.59 1auw n ARG 236 N -0.80 0.04 -0.30 -4.83 3.00 -1.26 -4.87 116.66 107.64 1auw n ARG 236 Ca 0.09 -1.53 0.05 0.00 -0.00 0.00 0.00 57.85 56.45 1auw n ARG 236 Cb 0.49 -0.30 0.25 0.00 0.00 0.00 0.00 32.46 32.91 1auw n ARG 236 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1auw h ASP 237 N 0.49 0.89 -0.20 6.15 5.19 -1.98 -0.48 116.42 126.47 1auw h ASP 237 Ca -0.11 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1auw h ASP 237 Cb 1.62 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 1auw h ASP 237 CO 0.05 0.56 0.08 2.19 -3.12 0.00 0.00 179.24 179.00 1auw h PHE 238 N 1.00 0.35 -0.05 4.55 -0.00 -1.92 0.47 116.94 121.34 1auw h PHE 238 Ca 0.40 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 58.31 1auw h PHE 238 Cb 0.24 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 36.08 1auw h PHE 238 CO -0.00 0.30 -0.15 0.28 -0.00 0.00 0.00 178.31 178.74 1auw h VAL 239 N 0.36 1.44 0.13 0.88 2.07 -1.51 -2.79 116.25 116.84 1auw h VAL 239 Ca 0.09 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1auw h VAL 239 Cb 0.11 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1auw h VAL 239 CO -0.01 0.42 -0.26 0.58 0.02 0.00 0.00 177.57 178.33 1auw h VAL 240 N -0.33 0.44 -0.91 2.57 2.07 -0.83 -1.46 116.25 117.79 1auw h VAL 240 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1auw h VAL 240 Cb 0.76 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1auw h VAL 240 CO 0.03 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.83 1auw h GLU 241 N -0.47 0.82 -0.32 1.57 5.08 -0.99 0.24 114.58 120.51 1auw h GLU 241 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1auw h GLU 241 Cb 0.49 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1auw h GLU 241 CO -0.14 0.54 -0.02 0.35 -1.00 0.00 0.00 179.01 178.75 1auw h PHE 242 N 0.85 0.63 -0.40 4.33 3.57 -1.20 0.34 116.94 125.06 1auw h PHE 242 Ca 0.45 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1auw h PHE 242 Cb 0.48 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1auw h PHE 242 CO -0.04 0.71 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.55 1auw h LEU 243 N 0.36 0.71 -0.45 0.59 3.38 -0.56 0.87 115.31 120.23 1auw h LEU 243 Ca 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1auw h LEU 243 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1auw h LEU 243 CO 0.02 0.86 0.02 -1.28 0.09 0.00 0.00 178.44 178.16 1auw h SER 244 N 0.65 0.75 -0.46 -0.43 0.87 -0.43 0.67 113.55 115.17 1auw h SER 244 Ca 0.11 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1auw h SER 244 Cb 0.60 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1auw h SER 244 CO 0.04 0.86 0.16 0.15 -0.53 0.00 0.00 176.83 177.50 1auw h PHE 245 N 0.62 0.73 -0.72 2.24 3.57 -0.66 -2.19 116.94 120.53 1auw h PHE 245 Ca 0.13 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1auw h PHE 245 Cb 0.46 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1auw h PHE 245 CO 0.03 0.64 0.43 0.00 -2.23 0.00 0.00 178.31 177.18 1auw h ALA 246 N 1.01 0.92 -0.36 2.41 0.00 -0.48 -1.42 119.26 121.35 1auw h ALA 246 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1auw h ALA 246 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1auw h ALA 246 CO -0.01 0.40 0.17 1.15 0.00 0.00 0.00 179.25 180.96 1auw h THR 247 N 0.98 1.17 -0.62 0.00 2.02 -0.69 -0.76 112.91 115.01 1auw h THR 247 Ca 0.26 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1auw h THR 247 Cb -0.02 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1auw h THR 247 CO -0.05 0.18 0.34 0.25 0.37 0.00 0.00 175.52 176.61 1auw h LEU 248 N 0.44 0.78 -0.35 2.58 6.46 -1.10 -0.18 115.31 123.93 1auw h LEU 248 Ca 0.12 -0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1auw h LEU 248 Cb 0.13 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 1auw h LEU 248 CO -0.01 0.65 0.08 0.25 -0.62 0.00 0.00 178.44 178.79 1auw h LEU 249 N 0.84 0.05 -1.22 2.25 5.85 -0.95 -1.34 115.31 120.79 1auw h LEU 249 Ca 0.22 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1auw h LEU 249 Cb 0.05 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1auw h LEU 249 CO -0.03 0.06 0.30 0.24 -0.34 0.00 0.00 178.44 178.67 1auw h MET 250 N 0.21 0.84 -0.83 1.25 2.86 -0.61 -1.13 114.93 117.53 1auw h MET 250 Ca 0.16 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1auw h MET 250 Cb 0.17 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1auw h MET 250 CO -0.20 0.64 0.45 0.82 1.06 0.00 0.00 176.91 179.68 1auw h ILE 251 N 0.84 1.24 -0.54 -1.22 1.08 -0.01 0.17 117.51 119.07 1auw h ILE 251 Ca 0.21 -0.60 -0.11 0.00 -0.39 0.00 0.00 64.86 63.97 1auw h ILE 251 Cb 0.07 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 1auw h ILE 251 CO -0.03 0.27 -0.09 0.45 -0.69 0.00 0.00 178.15 178.06 1auw h HIS 252 N 1.16 1.12 -0.01 1.37 3.86 -0.24 -2.73 115.15 119.68 1auw h HIS 252 Ca 0.29 -0.22 -0.18 0.00 -1.16 0.00 0.00 60.37 59.10 1auw h HIS 252 Cb 0.03 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1auw h HIS 252 CO 0.01 1.03 -0.80 -0.07 0.86 0.00 0.00 177.93 178.96 1auw h LEU 253 N 0.90 0.15 -0.71 2.43 3.38 -0.62 -2.67 115.31 118.17 1auw h LEU 253 Ca 0.14 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1auw h LEU 253 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1auw h LEU 253 CO 0.04 0.88 -0.60 0.77 0.09 0.00 0.00 178.44 179.62 1auw h SER 254 N 0.07 0.16 -0.26 -0.43 4.64 -0.62 0.23 113.55 117.35 1auw h SER 254 Ca -0.02 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1auw h SER 254 Cb 1.40 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1auw h SER 254 CO 0.11 0.72 -0.17 0.50 -0.87 0.00 0.00 176.83 177.13 1auw h LYS 255 N 0.10 0.57 -0.35 4.77 3.64 -1.48 -0.61 116.57 123.21 1auw h LYS 255 Ca -0.01 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1auw h LYS 255 Cb 1.09 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1auw h LYS 255 CO 0.09 0.85 0.03 1.98 -2.27 0.00 0.00 179.45 180.13 1auw h MET 256 N 0.29 0.54 -0.30 1.90 4.05 -1.24 -1.48 114.93 118.69 1auw h MET 256 Ca 0.05 -0.11 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 1auw h MET 256 Cb 0.70 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1auw h MET 256 CO 0.05 0.54 -0.43 0.00 0.23 0.00 0.00 176.91 177.30 1auw h ALA 257 N 1.52 0.46 -0.06 0.39 0.00 -0.75 -2.58 119.26 118.24 1auw h ALA 257 Ca 0.12 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1auw h ALA 257 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1auw h ALA 257 CO 0.01 0.59 -0.06 1.49 0.00 0.00 0.00 179.25 181.27 1auw h GLU 258 N 0.59 -0.08 0.59 0.00 4.57 -0.54 -0.80 114.58 118.92 1auw h GLU 258 Ca 0.03 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1auw h GLU 258 Cb 1.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1auw h GLU 258 CO 0.10 -0.05 -0.41 -0.44 -1.18 0.00 0.00 179.01 177.03 1auw h ASP 259 N -0.08 -1.06 -0.11 1.04 3.32 -1.29 -2.02 116.42 116.22 1auw h ASP 259 Ca 0.04 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1auw h ASP 259 Cb 0.14 0.32 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1auw h ASP 259 CO -0.10 -0.61 0.08 -0.07 -1.72 0.00 0.00 179.24 176.81 1auw h LEU 260 N -0.96 0.00 -0.03 1.55 3.38 -1.39 0.16 115.31 118.02 1auw h LEU 260 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1auw h LEU 260 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1auw h LEU 260 CO 0.04 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 178.94 1auw h ILE 261 N 0.00 1.40 -0.64 1.22 2.04 -0.94 -1.71 117.51 118.87 1auw h ILE 261 Ca 0.05 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1auw h ILE 261 Cb 0.21 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1auw h ILE 261 CO -0.00 0.33 0.25 0.40 0.00 0.00 0.00 178.15 179.13 1auw h ILE 262 N -0.42 1.24 0.00 -0.67 2.04 -0.63 -1.98 117.51 117.09 1auw h ILE 262 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1auw h ILE 262 Cb 0.55 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1auw h ILE 262 CO 0.01 0.29 0.00 1.88 0.00 0.00 0.00 178.15 180.33 1auw h TYR 263 N 0.91 0.00 -0.26 1.37 0.05 -0.70 -2.48 116.97 115.86 1auw h TYR 263 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1auw h TYR 263 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1auw h TYR 263 CO 0.01 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.99 1auw n SER 264 N -2.82 2.68 -4.79 3.88 3.41 -0.65 -1.40 113.62 113.93 1auw n SER 264 Ca 0.00 -1.87 -0.33 0.00 -0.26 0.00 0.00 58.87 56.41 1auw n SER 264 Cb 0.23 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.67 3.62 0.50 6.66 -4.23 -0.93 -4.76 115.64 114.83 1auw s THR 265 Ca 0.35 0.77 0.33 0.00 -1.18 0.00 0.00 61.69 61.96 1auw s THR 265 Cb 0.20 -3.29 0.36 0.00 1.34 0.00 0.00 72.50 71.11 1auw s THR 265 CO 0.30 -0.45 2.19 0.77 -0.54 0.00 0.00 174.62 176.89 1auw h SER 266 N 0.33 0.00 0.83 3.99 4.64 -1.92 0.36 113.55 121.79 1auw h SER 266 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1auw h SER 266 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1auw h SER 266 CO 0.56 0.05 -0.68 -0.33 -0.87 0.00 0.00 176.83 175.56 1auw h GLU 267 N 0.00 0.00 0.00 4.77 3.07 -1.91 -3.35 114.58 117.15 1auw h GLU 267 Ca -0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1auw h GLU 267 Cb 0.18 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 1auw h GLU 267 CO 0.01 0.68 -2.08 1.19 -1.40 0.00 0.00 179.01 177.41 1auw n PHE 268 N -3.58 0.00 -1.31 4.33 3.01 -0.57 -5.01 117.46 114.32 1auw n PHE 268 Ca -0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1auw n PHE 268 Cb 0.70 -0.85 -0.05 0.00 -0.01 0.00 0.00 39.48 39.28 1auw n PHE 268 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1auw n GLY 269 N 1.32 1.16 0.23 1.37 0.00 0.12 -4.90 105.19 104.49 1auw n GLY 269 Ca -0.42 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.33 -3.54 1.61 0.04 -1.49 -3.42 116.94 110.47 1auw h PHE 270 Ca -0.22 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.41 1auw h PHE 270 Cb 0.85 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.85 1auw h PHE 270 CO 0.40 0.48 0.00 -0.48 -0.60 0.00 0.00 178.31 178.11 1auw s LEU 271 N -8.67 0.36 0.01 1.54 0.05 -1.11 -0.05 118.68 110.81 1auw s LEU 271 Ca -0.06 -1.09 0.01 0.00 0.05 0.00 0.00 54.13 53.04 1auw s LEU 271 Cb 0.15 2.07 -0.01 0.00 -2.05 0.00 0.00 46.19 46.35 1auw s LEU 271 CO 0.75 -1.35 -0.03 -0.89 -0.55 0.00 0.00 176.35 174.28 1auw s THR 272 N -3.32 0.22 0.18 5.48 2.01 0.10 -4.44 115.64 115.86 1auw s THR 272 Ca 0.21 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1auw s THR 272 Cb -0.02 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.18 1auw s THR 272 CO 0.12 -0.10 0.51 -1.81 -0.69 0.00 0.00 174.62 172.66 1auw s ASP 273 N -0.51 6.68 0.71 3.53 1.01 -1.26 -0.56 116.67 126.27 1auw s ASP 273 Ca -0.03 0.92 -0.14 0.00 0.71 0.00 0.00 52.55 54.01 1auw s ASP 273 Cb -0.04 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.69 1auw s ASP 273 CO -0.00 0.03 1.13 -0.94 0.21 0.00 0.00 175.17 175.60 1auw s SER 274 N -2.08 4.64 0.64 0.27 1.04 -1.25 -4.88 113.70 112.08 1auw s SER 274 Ca 0.42 2.07 0.38 0.00 0.48 0.00 0.00 55.95 59.30 1auw s SER 274 Cb -0.13 -2.56 2.14 0.00 0.10 0.00 0.00 66.02 65.58 1auw s SER 274 CO 0.20 -1.95 2.30 0.44 0.98 0.00 0.00 173.24 175.22 1auw h ASP 275 N -0.35 0.00 0.53 7.02 3.32 -1.93 -1.80 116.42 123.22 1auw h ASP 275 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1auw h ASP 275 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1auw h ASP 275 CO 0.52 0.00 -0.31 0.00 -1.72 0.00 0.00 179.24 177.73 1auw h ALA 276 N 1.96 1.22 -0.44 3.45 0.00 -1.99 -3.26 119.26 120.21 1auw h ALA 276 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 1auw h ALA 276 Cb 0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 1auw h ALA 276 CO -0.00 0.39 -0.57 1.19 0.00 0.00 0.00 179.25 180.25 1auw n PHE 277 N -3.79 1.58 -3.50 0.00 3.72 -0.68 -5.04 117.46 109.75 1auw n PHE 277 Ca -0.01 -1.92 -0.06 0.00 -0.05 0.00 0.00 57.45 55.41 1auw n PHE 277 Cb 0.40 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 1auw n PHE 277 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1auw n SER 278 N -0.91 -1.32 -3.80 4.37 3.41 -1.23 -3.48 113.62 110.66 1auw n SER 278 Ca 0.34 -1.97 -0.13 0.00 -0.26 0.00 0.00 58.87 56.86 1auw n SER 278 Cb 0.86 2.22 -0.14 0.00 -0.26 0.00 0.00 64.21 66.89 1auw n SER 278 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1auw s THR 279 N -2.48 -0.02 0.00 6.66 2.01 -0.14 -4.89 115.64 116.77 1auw s THR 279 Ca 0.10 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1auw s THR 279 Cb -0.03 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1auw s THR 279 CO 0.08 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1auw n GLY 280 N 3.52 7.52 2.87 4.40 0.00 -1.26 0.15 105.19 122.39 1auw n GLY 280 Ca -0.18 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 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 0.82 0.09 0.15 1.61 0.15 -1.21 -4.95 113.70 110.35 1auw s SER 281 Ca 0.00 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 1auw s SER 281 Cb 0.00 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1auw s SER 281 CO 0.00 -0.00 1.55 0.77 1.20 0.00 0.00 173.24 176.76 1auw h SER 282 N 6.25 0.93 0.19 5.45 4.64 -1.97 -2.88 113.55 126.16 1auw h SER 282 Ca -0.27 -0.37 -0.12 0.00 -0.47 0.00 0.00 61.79 60.56 1auw h SER 282 Cb 1.20 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1auw h SER 282 CO 0.51 1.09 -0.45 -0.07 -0.87 0.00 0.00 176.83 177.04 1auw h LEU 283 N 0.76 0.34 -7.21 5.97 4.07 -2.02 -3.36 115.31 113.87 1auw h LEU 283 Ca 0.12 -0.15 -0.63 0.00 0.08 0.00 0.00 57.88 57.29 1auw h LEU 283 Cb 0.69 -0.10 -0.41 0.00 1.08 0.00 0.00 40.66 41.92 1auw h LEU 283 CO 0.05 0.74 -0.64 -0.04 -1.08 0.00 0.00 178.44 177.47 1auw s MET 284 N -4.10 1.97 0.52 1.13 -1.94 -1.11 -4.98 119.30 110.80 1auw s MET 284 Ca -0.05 -2.71 0.23 0.00 -1.71 0.00 0.00 55.69 51.44 1auw s MET 284 Cb 0.13 -3.14 1.34 0.00 2.01 0.00 0.00 34.83 35.17 1auw s MET 284 CO 0.79 -1.17 2.02 -1.35 -0.01 0.00 0.00 175.02 175.30 1auw h PRO 285 N 6.20 0.03 0.00 2.03 0.11 -1.67 -2.61 132.00 136.10 1auw h PRO 285 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1auw h PRO 285 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1auw h PRO 285 CO 0.66 0.02 -0.76 1.04 -0.21 0.00 0.00 178.00 178.75 1auw n GLN 286 N -4.42 0.08 -2.45 1.05 1.13 -1.26 -4.83 117.38 106.68 1auw n GLN 286 Ca 0.07 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 1auw n GLN 286 Cb 0.49 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 1auw n GLN 286 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1auw s LYS 287 N -3.05 3.30 -0.38 -1.09 2.20 -0.99 -4.97 119.74 114.76 1auw s LYS 287 Ca 0.08 0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.91 1auw s LYS 287 Cb 0.16 -4.12 0.07 0.00 -1.51 0.00 0.00 37.83 32.43 1auw s LYS 287 CO 0.77 -1.96 0.17 0.15 -0.36 0.00 0.00 175.35 174.12 1auw s LYS 288 N 5.50 2.41 -0.05 4.03 1.02 -1.26 -3.69 119.74 127.71 1auw s LYS 288 Ca 0.47 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1auw s LYS 288 Cb -0.09 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1auw s LYS 288 CO 0.23 -0.87 1.28 -0.80 -0.92 0.00 0.00 175.35 174.27 1auw s ASN 289 N 1.74 6.97 -1.21 2.83 0.01 0.39 -4.84 114.94 120.83 1auw s ASN 289 Ca 0.02 1.91 -0.08 0.00 -0.71 0.00 0.00 52.86 54.00 1auw s ASN 289 Cb -0.22 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 38.83 1auw s ASN 289 CO -0.00 -0.65 2.92 -0.81 -1.51 0.00 0.00 177.10 177.05 1auw n PRO 290 N 5.42 3.56 -0.19 -0.60 -0.04 -1.26 -0.97 135.00 140.93 1auw n PRO 290 Ca 0.12 -2.33 -0.01 0.00 -0.04 0.00 0.00 63.50 61.24 1auw n PRO 290 Cb 0.45 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.40 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 4.43 -0.37 -0.44 3.54 5.19 -1.91 -2.24 116.42 124.63 1auw h ASP 291 Ca 0.69 0.15 0.09 0.00 -0.62 0.00 0.00 57.03 57.34 1auw h ASP 291 Cb 0.52 0.29 -0.10 0.00 0.18 0.00 0.00 39.33 40.22 1auw h ASP 291 CO 1.40 -0.14 -0.32 0.77 -3.12 0.00 0.00 179.24 177.83 1auw h SER 292 N 0.07 -1.08 -0.37 6.45 4.64 -1.86 0.44 113.55 121.83 1auw h SER 292 Ca 0.29 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 1auw h SER 292 Cb 0.45 0.52 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1auw h SER 292 CO -0.53 -0.31 0.20 -0.07 -0.87 0.00 0.00 176.83 175.24 1auw h LEU 293 N -0.23 0.51 -0.12 5.97 3.38 -1.70 -0.78 115.31 122.35 1auw h LEU 293 Ca 0.19 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1auw h LEU 293 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1auw h LEU 293 CO -0.57 0.44 -1.00 -0.33 0.09 0.00 0.00 178.44 177.07 1auw h GLU 294 N 0.58 0.37 -0.23 1.13 5.08 -0.95 -1.35 114.58 119.20 1auw h GLU 294 Ca 0.15 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1auw h GLU 294 Cb 0.07 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1auw h GLU 294 CO -0.02 1.12 0.06 -0.07 -1.00 0.00 0.00 179.01 179.11 1auw h LEU 295 N 0.19 0.34 -0.51 1.33 3.38 -0.55 -0.02 115.31 119.47 1auw h LEU 295 Ca -0.09 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1auw h LEU 295 Cb 1.66 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 1auw h LEU 295 CO 0.17 0.47 0.27 0.40 0.09 0.00 0.00 178.44 179.84 1auw h ILE 296 N 0.20 0.98 -0.75 1.22 2.04 -1.13 -2.09 117.51 117.98 1auw h ILE 296 Ca 0.07 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1auw h ILE 296 Cb 0.25 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1auw h ILE 296 CO -0.00 0.10 0.30 -0.09 0.00 0.00 0.00 178.15 178.46 1auw h ARG 297 N 0.53 1.11 0.00 2.37 2.43 -1.00 -2.93 114.38 116.89 1auw h ARG 297 Ca 0.22 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1auw h ARG 297 Cb 0.11 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1auw h ARG 297 CO -0.14 0.91 -0.31 0.66 -1.51 0.00 0.00 179.97 179.57 1auw h SER 298 N 1.07 0.00 0.59 -3.80 4.64 -0.36 -2.74 113.55 112.96 1auw h SER 298 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1auw h SER 298 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1auw h SER 298 CO -0.02 0.31 0.00 0.11 -0.87 0.00 0.00 176.83 176.36 1auw h LYS 299 N 0.00 0.00 -0.75 4.77 1.79 -1.21 -2.92 116.57 118.25 1auw h LYS 299 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1auw h LYS 299 Cb 0.64 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 1auw h LYS 299 CO 0.04 0.00 0.47 0.00 -1.08 0.00 0.00 179.45 178.88 1auw h ALA 300 N 2.06 0.95 -0.20 3.86 0.00 -1.58 -0.65 119.26 123.71 1auw h ALA 300 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 1auw h ALA 300 Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1auw h ALA 300 CO 0.00 0.40 -0.68 0.78 0.00 0.00 0.00 179.25 179.76 1auw h GLY 301 N 1.02 0.85 0.68 0.00 0.00 -1.72 -1.48 103.07 102.42 1auw h GLY 301 Ca 0.27 -1.11 0.02 0.00 0.00 0.00 0.00 47.33 46.51 1auw h GLY 301 CO -0.05 0.99 -0.17 -0.09 0.00 0.00 0.00 176.54 177.22 1auw h ARG 302 N 0.56 -0.30 -0.73 4.80 2.43 -1.48 0.17 114.38 119.82 1auw h ARG 302 Ca -0.02 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1auw h ARG 302 Cb 1.29 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1auw h ARG 302 CO 0.14 -0.20 0.23 0.28 -1.51 0.00 0.00 179.97 178.91 1auw h VAL 303 N -0.31 1.26 -0.21 0.20 2.07 -1.14 -2.30 116.25 115.82 1auw h VAL 303 Ca 0.03 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1auw h VAL 303 Cb 0.34 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1auw h VAL 303 CO -0.11 0.35 -0.09 0.15 0.02 0.00 0.00 177.57 177.89 1auw h PHE 304 N 1.08 0.34 -0.49 1.57 3.57 -0.91 -2.31 116.94 119.80 1auw h PHE 304 Ca 0.24 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1auw h PHE 304 Cb 0.30 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1auw h PHE 304 CO 0.02 0.42 0.17 0.78 -2.23 0.00 0.00 178.31 177.47 1auw h GLY 305 N 0.77 0.76 1.27 2.40 0.00 -0.09 -1.14 103.07 107.03 1auw h GLY 305 Ca 0.07 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1auw h GLY 305 CO 0.02 0.37 -0.51 3.21 0.00 0.00 0.00 176.54 179.63 1auw h ARG 306 N 0.70 0.78 0.15 4.80 2.47 -1.28 -1.99 114.38 120.00 1auw h ARG 306 Ca 0.16 -0.47 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 1auw h ARG 306 Cb 0.19 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1auw h ARG 306 CO -0.01 1.10 -0.07 1.25 0.56 0.00 0.00 179.97 182.80 1auw h LEU 307 N 0.61 -0.17 -0.85 3.04 5.85 -1.22 -2.51 115.31 120.07 1auw h LEU 307 Ca 0.02 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1auw h LEU 307 Cb 1.09 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1auw h LEU 307 CO 0.11 -0.00 0.52 0.00 -0.34 0.00 0.00 178.44 178.72 1auw h ALA 308 N 0.51 1.17 -0.35 1.25 0.00 -1.18 -1.95 119.26 118.72 1auw h ALA 308 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1auw h ALA 308 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1auw h ALA 308 CO 0.03 0.23 0.02 0.66 0.00 0.00 0.00 179.25 180.20 1auw h SER 309 N 0.92 0.59 -0.43 0.00 4.64 -1.25 -2.29 113.55 115.73 1auw h SER 309 Ca 0.38 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1auw h SER 309 Cb 0.22 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1auw h SER 309 CO -0.19 0.73 -0.02 0.40 -0.87 0.00 0.00 176.83 176.88 1auw h ILE 310 N 0.43 1.25 -0.66 0.95 1.08 -1.16 0.18 117.51 119.58 1auw h ILE 310 Ca 0.10 -1.07 -0.03 0.00 -0.39 0.00 0.00 64.86 63.47 1auw h ILE 310 Cb 0.41 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1auw h ILE 310 CO 0.01 0.38 0.28 -0.07 -0.69 0.00 0.00 178.15 178.06 1auw h LEU 311 N 0.79 0.90 -0.59 1.44 3.38 -1.29 -0.52 115.31 119.41 1auw h LEU 311 Ca 0.15 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1auw h LEU 311 Cb 0.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1auw h LEU 311 CO 0.03 0.81 -0.17 -0.03 0.09 0.00 0.00 178.44 179.16 1auw h MET 312 N 0.93 0.94 -0.70 1.13 4.05 -0.91 -0.69 114.93 119.68 1auw h MET 312 Ca 0.22 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1auw h MET 312 Cb 0.18 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1auw h MET 312 CO -0.02 1.03 0.42 0.28 0.23 0.00 0.00 176.91 178.84 1auw h VAL 313 N 0.82 1.20 -0.02 -5.77 2.07 -0.21 -3.14 116.25 111.20 1auw h VAL 313 Ca 0.12 -0.46 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 1auw h VAL 313 Cb 0.73 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1auw h VAL 313 CO 0.06 0.21 -0.81 -0.07 0.02 0.00 0.00 177.57 176.99 1auw h LEU 314 N 0.96 0.29 -9.39 2.57 3.38 -0.84 -3.44 115.31 108.84 1auw h LEU 314 Ca 0.25 -0.21 -0.57 0.00 0.09 0.00 0.00 57.88 57.44 1auw h LEU 314 Cb -0.02 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.68 1auw h LEU 314 CO -0.05 0.98 1.09 1.17 0.09 0.00 0.00 178.44 181.72 1auw n LYS 315 N -3.72 2.51 -0.61 1.13 0.00 -0.29 -2.72 118.16 114.45 1auw n LYS 315 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 58.31 59.19 1auw n LYS 315 Cb 0.76 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 33.00 1auw n LYS 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1auw n GLY 316 N 4.25 1.69 3.76 3.14 0.00 -1.26 -5.00 105.19 111.76 1auw n GLY 316 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.45 0.59 0.99 1.43 -1.10 -5.02 118.68 120.01 1auw s LEU 317 Ca 0.00 2.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 1auw s LEU 317 Cb 0.00 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1auw s LEU 317 CO 0.00 -0.46 0.90 -2.16 0.23 0.00 0.00 176.35 174.86 1auw s PRO 318 N -1.14 2.88 0.53 1.29 0.04 -1.26 -5.06 135.00 132.28 1auw s PRO 318 Ca 0.51 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.31 1auw s PRO 318 Cb -0.37 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 1auw s PRO 318 CO 0.46 -0.71 1.09 -1.12 0.04 0.00 0.00 177.00 176.75 1auw s SER 319 N -4.31 5.94 0.00 6.66 0.01 -1.26 -4.64 113.70 116.09 1auw s SER 319 Ca 0.54 2.03 -0.00 0.00 1.31 0.00 0.00 55.95 59.83 1auw s SER 319 Cb -0.11 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 1auw s SER 319 CO 0.45 -1.06 -0.01 0.41 0.41 0.00 0.00 173.24 173.44 1auw n THR 320 N -1.29 0.08 -3.83 1.44 -1.04 -1.26 -5.04 114.28 103.33 1auw n THR 320 Ca 0.10 0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.94 1auw n THR 320 Cb 0.52 -1.21 -0.05 0.00 -1.82 0.00 0.00 70.33 67.77 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 -1.08 3.58 0.02 -1.42 5.04 -1.26 -4.58 117.35 117.66 1auw s TYR 321 Ca -0.01 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.10 1auw s TYR 321 Cb 0.00 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 1auw s TYR 321 CO 0.01 0.67 0.06 -0.80 -1.34 0.00 0.00 175.55 174.14 1auw s ASN 322 N -1.52 0.18 0.51 4.32 0.01 -1.26 -5.04 114.94 112.14 1auw s ASN 322 Ca 0.23 -0.47 0.20 0.00 -0.71 0.00 0.00 52.86 52.11 1auw s ASN 322 Cb -0.13 0.18 1.31 0.00 0.41 0.00 0.00 41.25 43.02 1auw s ASN 322 CO 0.13 -0.41 2.09 0.50 -1.51 0.00 0.00 177.10 177.90 1auw h LYS 323 N 4.10 0.00 -1.02 -0.60 1.63 -2.02 -2.86 116.57 115.80 1auw h LYS 323 Ca -0.32 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 59.77 1auw h LYS 323 Cb 1.19 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.69 1auw h LYS 323 CO 0.46 0.09 0.60 -0.44 -3.45 0.00 0.00 179.45 176.72 1auw h ASP 324 N 0.00 0.56 -0.51 4.20 5.19 -1.96 -1.04 116.42 122.87 1auw h ASP 324 Ca -0.00 0.16 0.15 0.00 -0.62 0.00 0.00 57.03 56.71 1auw h ASP 324 Cb 0.19 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1auw h ASP 324 CO 0.01 -0.02 0.47 -0.07 -3.12 0.00 0.00 179.24 176.51 1auw h LEU 325 N 0.42 0.00 -1.97 1.55 4.07 -1.87 -2.56 115.31 114.96 1auw h LEU 325 Ca 0.69 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.68 1auw h LEU 325 Cb 1.52 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.26 1auw h LEU 325 CO -0.52 0.00 0.37 1.56 -1.08 0.00 0.00 178.44 178.77 1auw h GLN 326 N 0.00 0.00 0.00 1.13 4.20 -1.42 -1.55 115.11 117.46 1auw h GLN 326 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1auw h GLN 326 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1auw h GLN 326 CO -0.00 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.55 1auw n GLU 327 N -3.09 0.03 -0.23 1.46 -0.58 -0.96 -3.59 120.64 113.68 1auw n GLU 327 Ca 0.00 0.36 -0.08 0.00 -0.42 0.00 0.00 57.16 57.02 1auw n GLU 327 Cb 0.45 -1.56 0.03 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.07 0.53 1.62 2.03 -1.55 -3.30 116.42 116.82 1auw h ASP 328 Ca 0.00 -0.28 -0.02 0.00 -0.73 0.00 0.00 57.03 56.01 1auw h ASP 328 Cb 0.18 -0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1auw h ASP 328 CO 0.00 1.08 -0.50 0.11 -1.03 0.00 0.00 179.24 178.90 1auw h LYS 329 N 1.02 -0.98 -0.97 4.15 1.57 -1.83 -1.33 116.57 118.20 1auw h LYS 329 Ca 0.19 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 1auw h LYS 329 Cb 0.49 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 1auw h LYS 329 CO 0.02 -0.65 0.63 0.93 -0.57 0.00 0.00 179.45 179.80 1auw h GLU 330 N -1.02 1.07 -0.31 3.15 5.08 -1.82 -0.04 114.58 120.68 1auw h GLU 330 Ca -0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1auw h GLU 330 Cb 0.88 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1auw h GLU 330 CO -0.05 0.71 0.15 0.00 -1.00 0.00 0.00 179.01 178.82 1auw h ALA 331 N 1.49 0.40 -0.13 3.43 0.00 -1.59 -1.92 119.26 120.93 1auw h ALA 331 Ca 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1auw h ALA 331 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1auw h ALA 331 CO -0.17 -0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.33 1auw h VAL 332 N 0.36 1.24 -0.66 0.00 2.07 -0.58 -2.53 116.25 116.15 1auw h VAL 332 Ca 0.11 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1auw h VAL 332 Cb 0.12 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1auw h VAL 332 CO -0.01 0.23 0.41 -0.26 0.02 0.00 0.00 177.57 177.95 1auw h PHE 333 N -0.02 0.76 0.11 1.57 0.04 -1.00 -1.31 116.94 117.09 1auw h PHE 333 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1auw h PHE 333 Cb 0.34 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1auw h PHE 333 CO 0.03 0.43 -0.08 0.22 -0.60 0.00 0.00 178.31 178.30 1auw h ASP 334 N 0.79 -0.20 -0.71 2.17 3.58 -1.30 -1.21 116.42 119.55 1auw h ASP 334 Ca 0.27 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 1auw h ASP 334 Cb 0.04 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1auw h ASP 334 CO -0.12 -0.13 0.29 0.58 -2.88 0.00 0.00 179.24 176.98 1auw h VAL 335 N -0.19 1.25 -0.65 2.25 2.07 -1.19 -0.53 116.25 119.26 1auw h VAL 335 Ca -0.00 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1auw h VAL 335 Cb 0.17 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1auw h VAL 335 CO -0.00 0.31 0.07 -0.37 0.02 0.00 0.00 177.57 177.60 1auw h VAL 336 N 1.05 1.26 -0.00 2.57 -1.51 -1.02 -1.07 116.25 117.54 1auw h VAL 336 Ca 0.24 -1.09 -0.07 0.00 -1.23 0.00 0.00 66.70 64.55 1auw h VAL 336 Cb 0.20 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1auw h VAL 336 CO -0.02 0.40 -0.35 0.44 -1.23 0.00 0.00 177.57 176.81 1auw h ASP 337 N 1.02 0.00 0.00 4.19 3.32 -0.81 -2.56 116.42 121.58 1auw h ASP 337 Ca 0.19 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1auw h ASP 337 Cb 0.49 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1auw h ASP 337 CO 0.02 0.36 -0.00 0.74 -1.72 0.00 0.00 179.24 178.63 1auw h THR 338 N 0.00 1.69 -0.31 0.35 2.02 -0.68 -3.27 112.91 112.71 1auw h THR 338 Ca -0.00 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 1auw h THR 338 Cb 0.63 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 1auw h THR 338 CO 0.05 0.52 0.18 -0.07 0.37 0.00 0.00 175.52 176.57 1auw h LEU 339 N -0.85 0.38 -0.36 2.58 3.38 -1.21 -0.16 115.31 119.07 1auw h LEU 339 Ca -0.00 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 339 Cb 0.86 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1auw h LEU 339 CO 0.00 0.34 -0.12 0.74 0.09 0.00 0.00 178.44 179.49 1auw h THR 340 N 0.38 0.58 0.05 0.22 2.02 -1.61 0.76 112.91 115.32 1auw h THR 340 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1auw h THR 340 Cb 0.04 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1auw h THR 340 CO -0.02 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.85 1auw h ALA 341 N 1.29 -0.07 -0.99 6.16 0.00 -1.57 -2.80 119.26 121.27 1auw h ALA 341 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1auw h ALA 341 Cb 0.31 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1auw h ALA 341 CO -0.39 -0.34 0.65 0.28 0.00 0.00 0.00 179.25 179.44 1auw h VAL 342 N -0.46 1.20 -0.54 0.00 2.07 -0.82 -0.22 116.25 117.48 1auw h VAL 342 Ca -0.01 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 1auw h VAL 342 Cb 0.41 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1auw h VAL 342 CO 0.01 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.72 1auw h LEU 343 N 1.29 0.97 -0.20 2.57 3.38 -0.89 0.03 115.31 122.46 1auw h LEU 343 Ca 0.38 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1auw h LEU 343 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1auw h LEU 343 CO -0.11 1.06 0.06 1.56 0.09 0.00 0.00 178.44 181.11 1auw h GLN 344 N 0.86 0.30 -0.62 1.13 4.20 -1.16 -1.28 115.11 118.54 1auw h GLN 344 Ca 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1auw h GLN 344 Cb 0.59 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1auw h GLN 344 CO 0.04 0.40 0.33 0.28 -0.67 0.00 0.00 178.83 179.21 1auw h VAL 345 N 0.15 1.20 -0.97 -0.54 2.07 -0.97 -1.83 116.25 115.36 1auw h VAL 345 Ca 0.06 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1auw h VAL 345 Cb 0.22 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1auw h VAL 345 CO -0.00 0.22 0.63 0.00 0.02 0.00 0.00 177.57 178.44 1auw h ALA 346 N 1.16 1.41 -0.24 1.67 0.00 -0.80 -0.68 119.26 121.79 1auw h ALA 346 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1auw h ALA 346 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1auw h ALA 346 CO -0.03 0.47 0.08 1.15 0.00 0.00 0.00 179.25 180.92 1auw h THR 347 N 1.17 1.18 -0.58 0.00 2.02 -0.71 -2.08 112.91 113.92 1auw h THR 347 Ca 0.40 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1auw h THR 347 Cb 0.09 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1auw h THR 347 CO -0.14 0.19 0.37 1.23 0.37 0.00 0.00 175.52 177.54 1auw h GLY 348 N 0.22 0.82 0.97 2.16 0.00 -0.65 -1.70 103.07 104.89 1auw h GLY 348 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1auw h GLY 348 CO -0.00 0.26 -0.04 -2.08 0.00 0.00 0.00 176.54 174.68 1auw h VAL 349 N 0.75 0.93 -0.82 4.60 2.07 -1.00 -1.97 116.25 120.81 1auw h VAL 349 Ca 0.22 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1auw h VAL 349 Cb -0.04 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1auw h VAL 349 CO -0.07 0.02 0.54 0.40 0.02 0.00 0.00 177.57 178.48 1auw h ILE 350 N -0.16 1.21 -0.25 4.57 1.08 -1.20 -2.14 117.51 120.62 1auw h ILE 350 Ca -0.01 -0.38 -0.17 0.00 -0.39 0.00 0.00 64.86 63.91 1auw h ILE 350 Cb 0.13 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.88 1auw h ILE 350 CO 0.02 0.20 -0.53 0.77 -0.69 0.00 0.00 178.15 177.92 1auw h SER 351 N 1.10 0.81 -0.49 1.72 4.64 -1.19 -3.28 113.55 116.87 1auw h SER 351 Ca 0.30 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1auw h SER 351 Cb -0.12 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.73 1auw h SER 351 CO -0.07 1.18 0.00 0.35 -0.87 0.00 0.00 176.83 177.43 1auw n THR 352 N -3.99 0.64 -2.53 2.95 -2.24 -0.75 -4.96 114.28 103.40 1auw n THR 352 Ca -0.04 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.55 1auw n THR 352 Cb 0.61 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.31 4.50 -0.21 3.22 0.20 -0.81 -3.80 118.68 120.47 1auw s LEU 353 Ca 0.41 2.09 -0.06 0.00 0.69 0.00 0.00 54.13 57.26 1auw s LEU 353 Cb 0.23 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.36 1auw s LEU 353 CO 0.31 -0.20 0.03 -1.10 -0.29 0.00 0.00 176.35 175.10 1auw s GLN 354 N -0.45 3.68 0.22 1.98 1.11 0.28 -4.95 119.66 121.54 1auw s GLN 354 Ca 0.49 -0.48 -0.03 0.00 0.01 0.00 0.00 55.36 55.34 1auw s GLN 354 Cb -0.29 -3.18 -0.05 0.00 -1.01 0.00 0.00 33.01 28.48 1auw s GLN 354 CO 0.35 -0.01 0.45 0.96 0.01 0.00 0.00 175.29 177.05 1auw s ILE 355 N 1.10 5.12 -0.44 1.08 -4.36 -1.26 0.01 121.20 122.46 1auw s ILE 355 Ca 0.03 -0.10 -0.04 0.00 -0.26 0.00 0.00 60.65 60.28 1auw s ILE 355 Cb -0.14 -3.71 0.12 0.00 1.25 0.00 0.00 42.46 39.98 1auw s ILE 355 CO 0.02 -0.18 0.25 -0.55 0.24 0.00 0.00 174.94 174.72 1auw s SER 356 N -2.99 5.36 0.44 4.36 0.15 0.93 -4.92 113.70 117.04 1auw s SER 356 Ca 0.41 -2.06 0.10 0.00 0.70 0.00 0.00 55.95 55.11 1auw s SER 356 Cb -0.11 -1.87 0.98 0.00 -1.71 0.00 0.00 66.02 63.31 1auw s SER 356 CO 0.28 -0.57 2.07 0.11 1.20 0.00 0.00 173.24 176.33 1auw h LYS 357 N 8.08 0.33 0.71 5.44 1.57 -1.95 -1.57 116.57 129.18 1auw h LYS 357 Ca -0.14 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1auw h LYS 357 Cb 1.05 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.29 1auw h LYS 357 CO 0.74 0.24 -0.34 0.93 -0.57 0.00 0.00 179.45 180.45 1auw h GLU 358 N 0.34 -0.92 -0.21 3.15 5.08 -1.96 0.09 114.58 120.14 1auw h GLU 358 Ca 0.09 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1auw h GLU 358 Cb 0.01 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1auw h GLU 358 CO -0.02 -0.60 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.38 1auw h ASN 359 N -1.00 0.31 -0.12 1.42 4.21 -1.81 -0.22 115.58 118.39 1auw h ASN 359 Ca -0.10 -0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.33 1auw h ASN 359 Cb 0.74 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1auw h ASN 359 CO 0.16 0.45 0.02 0.24 -1.29 0.00 0.00 177.43 177.01 1auw h MET 360 N 0.32 0.19 -0.29 0.81 2.86 -1.09 -2.46 114.93 115.27 1auw h MET 360 Ca 0.07 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1auw h MET 360 Cb 0.38 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1auw h MET 360 CO 0.02 0.39 -0.37 1.05 1.06 0.00 0.00 176.91 179.07 1auw h GLU 361 N -0.04 0.76 0.00 1.72 4.11 -0.79 -3.02 114.58 117.31 1auw h GLU 361 Ca 0.03 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1auw h GLU 361 Cb 0.30 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1auw h GLU 361 CO 0.00 1.06 0.00 -0.22 0.07 0.00 0.00 179.01 179.92 1auw h LYS 362 N 0.51 0.00 -0.00 1.06 3.64 -1.01 0.59 116.57 121.36 1auw h LYS 362 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1auw h LYS 362 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1auw h LYS 362 CO 0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 179.45 177.07 1auw n ALA 363 N -1.99 2.81 -2.55 5.00 0.00 -0.93 -4.79 120.51 118.07 1auw n ALA 363 Ca -0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1auw n ALA 363 Cb 0.07 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1auw n ALA 363 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1auw s LEU 364 N -2.96 3.71 -0.01 0.00 2.01 0.20 -4.85 118.68 116.78 1auw s LEU 364 Ca 0.14 0.72 -0.02 0.00 0.01 0.00 0.00 54.13 54.97 1auw s LEU 364 Cb 0.19 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.80 1auw s LEU 364 CO 0.59 -1.19 0.17 0.42 1.01 0.00 0.00 176.35 177.35 1auw s THR 365 N 4.44 5.35 0.52 5.49 -4.23 -1.26 -5.00 115.64 120.96 1auw s THR 365 Ca 0.50 -0.19 0.23 0.00 -1.18 0.00 0.00 61.69 61.05 1auw s THR 365 Cb -0.10 -3.50 0.37 0.00 1.34 0.00 0.00 72.50 70.61 1auw s THR 365 CO 0.28 0.33 2.03 -0.65 -0.54 0.00 0.00 174.62 176.06 1auw h PRO 366 N 3.84 0.02 -0.64 3.99 0.11 -2.01 -0.49 132.00 136.82 1auw h PRO 366 Ca -0.49 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1auw h PRO 366 Cb 1.19 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1auw h PRO 366 CO 0.68 0.01 0.43 0.93 -0.21 0.00 0.00 178.00 179.84 1auw h GLU 367 N 0.02 0.46 0.00 1.05 3.07 -2.01 -0.60 114.58 116.57 1auw h GLU 367 Ca 0.20 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1auw h GLU 367 Cb 0.76 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1auw h GLU 367 CO -0.01 0.30 0.00 -1.33 -1.40 0.00 0.00 179.01 176.58 1auw n MET 368 N -4.48 0.13 0.00 2.33 2.81 -0.19 -1.98 117.12 115.75 1auw n MET 368 Ca 0.10 0.55 0.12 0.00 -1.81 0.00 0.00 57.70 56.67 1auw n MET 368 Cb 0.36 -1.86 0.28 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.13 0.73 -0.24 4.03 4.77 -0.23 -4.33 117.00 119.59 1auw n LEU 369 Ca -0.00 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.91 1auw n LEU 369 Cb 0.09 -0.19 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 1auw n LEU 369 CO 0.11 0.16 0.93 0.00 -1.33 0.00 0.00 177.39 177.26 1auw h ALA 370 N 3.26 0.92 -0.67 -1.18 0.00 -1.53 -0.74 119.26 119.32 1auw h ALA 370 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1auw h ALA 370 Cb 0.51 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1auw h ALA 370 CO 0.00 -0.33 0.44 1.79 0.00 0.00 0.00 179.25 181.15 1auw h THR 371 N 0.27 1.17 -0.87 0.00 1.35 -1.82 -1.81 112.91 111.19 1auw h THR 371 Ca 0.40 -0.31 0.01 0.00 -0.55 0.00 0.00 66.41 65.96 1auw h THR 371 Cb 0.67 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.24 1auw h THR 371 CO -0.49 0.17 0.58 0.44 -0.25 0.00 0.00 175.52 175.96 1auw h ASP 372 N 0.90 0.99 -0.68 5.36 3.32 -1.44 0.33 116.42 125.21 1auw h ASP 372 Ca 0.24 -0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.38 1auw h ASP 372 Cb -0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 1auw h ASP 372 CO -0.05 0.71 0.45 0.25 -1.72 0.00 0.00 179.24 178.88 1auw h LEU 373 N 1.17 0.44 0.03 1.55 5.85 -0.48 0.10 115.31 123.97 1auw h LEU 373 Ca 0.33 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.89 1auw h LEU 373 Cb -0.11 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 40.86 1auw h LEU 373 CO -0.08 0.25 -0.68 0.00 -0.34 0.00 0.00 178.44 177.59 1auw h ALA 374 N 1.66 0.04 -0.91 1.25 0.00 -0.79 -3.15 119.26 117.36 1auw h ALA 374 Ca 0.32 -0.61 0.14 0.00 0.00 0.00 0.00 54.91 54.76 1auw h ALA 374 Cb 0.60 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1auw h ALA 374 CO -0.10 0.38 0.58 -0.07 0.00 0.00 0.00 179.25 180.04 1auw h LEU 375 N -0.13 0.71 0.45 0.00 -0.00 0.33 -1.66 115.31 115.02 1auw h LEU 375 Ca -0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1auw h LEU 375 Cb 1.41 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1auw h LEU 375 CO 0.13 0.36 -0.25 0.22 -0.00 0.00 0.00 178.44 178.90 1auw h TYR 376 N 0.75 -0.67 -0.60 1.13 5.03 -0.87 -1.63 116.97 120.12 1auw h TYR 376 Ca 0.46 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.75 1auw h TYR 376 Cb 0.66 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.14 1auw h TYR 376 CO -0.00 -0.40 0.34 -0.07 -1.32 0.00 0.00 178.16 176.71 1auw h LEU 377 N -0.66 0.73 -0.46 2.82 3.38 -1.38 -1.76 115.31 117.97 1auw h LEU 377 Ca -0.06 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1auw h LEU 377 Cb 0.53 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1auw h LEU 377 CO 0.07 0.58 0.21 0.58 0.09 0.00 0.00 178.44 179.97 1auw h VAL 378 N 0.83 0.93 0.00 1.22 2.07 -1.04 0.79 116.25 121.05 1auw h VAL 378 Ca 0.22 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1auw h VAL 378 Cb 0.00 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1auw h VAL 378 CO -0.04 0.08 -0.10 0.03 0.02 0.00 0.00 177.57 177.56 1auw h ARG 379 N 0.42 0.00 -0.82 1.57 3.08 -0.46 0.30 114.38 118.47 1auw h ARG 379 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1auw h ARG 379 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1auw h ARG 379 CO -0.16 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.46 1auw n LYS 380 N -4.37 1.64 -0.99 0.04 4.76 -0.01 -4.82 118.16 114.41 1auw n LYS 380 Ca -0.03 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.87 1auw n LYS 380 Cb 0.17 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1auw n LYS 380 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1auw n GLY 381 N 0.19 0.89 3.68 0.72 0.00 0.09 -5.00 105.19 105.76 1auw n GLY 381 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.60 4.10 0.31 1.61 1.01 0.06 -4.97 120.40 118.92 1auw s VAL 382 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1auw s VAL 382 Cb 0.00 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 1auw s VAL 382 CO 0.00 -0.04 1.20 -2.65 0.00 0.00 0.00 175.10 173.61 1auw n PRO 383 N 5.72 1.82 -0.31 2.72 -0.02 -1.26 -3.80 135.00 139.87 1auw n PRO 383 Ca 0.13 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1auw n PRO 383 Cb 0.45 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 1auw n PRO 383 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1auw n PHE 384 N 0.47 -0.33 -0.15 6.00 7.35 -1.26 -0.41 117.46 129.13 1auw n PHE 384 Ca 0.07 0.93 0.05 0.00 -0.76 0.00 0.00 57.45 57.74 1auw n PHE 384 Cb 0.34 -0.55 0.36 0.00 0.35 0.00 0.00 39.48 39.97 1auw n PHE 384 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1auw h ARG 385 N 0.00 0.72 -0.48 -4.13 -0.00 -1.98 0.27 114.38 108.77 1auw h ARG 385 Ca 0.12 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.98 59.94 1auw h ARG 385 Cb 0.30 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.10 1auw h ARG 385 CO -0.70 0.48 -0.17 1.96 -0.00 0.00 0.00 179.97 181.54 1auw h GLN 386 N 0.74 0.94 -0.06 0.08 7.50 -1.25 -0.25 115.11 122.82 1auw h GLN 386 Ca 0.27 -0.37 -0.11 0.00 0.50 0.00 0.00 58.65 58.94 1auw h GLN 386 Cb 0.15 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1auw h GLN 386 CO -0.08 1.03 -0.47 0.00 -1.50 0.00 0.00 178.83 177.81 1auw h ALA 387 N 0.97 1.10 -0.04 3.87 0.00 0.48 -2.46 119.26 123.18 1auw h ALA 387 Ca 0.12 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1auw h ALA 387 Cb 0.72 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1auw h ALA 387 CO 0.06 0.62 -0.95 1.25 0.00 0.00 0.00 179.25 180.23 1auw h HIS 388 N 0.11 0.92 -0.38 0.00 -0.00 -0.08 -2.89 115.15 112.83 1auw h HIS 388 Ca 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 60.37 59.84 1auw h HIS 388 Cb 0.88 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1auw h HIS 388 CO 0.01 1.30 0.00 1.15 -0.00 0.00 0.00 177.93 180.39 1auw h THR 389 N 0.38 1.26 -0.67 6.26 2.02 -1.00 -2.57 112.91 118.58 1auw h THR 389 Ca -0.10 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.14 1auw h THR 389 Cb 1.59 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1auw h THR 389 CO 0.18 0.33 0.39 0.00 0.37 0.00 0.00 175.52 176.79 1auw h ALA 390 N 0.88 0.90 0.00 6.16 0.00 -1.47 0.93 119.26 126.66 1auw h ALA 390 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1auw h ALA 390 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1auw h ALA 390 CO 0.02 0.08 -0.35 0.77 0.00 0.00 0.00 179.25 179.77 1auw h SER 391 N 0.72 0.00 -0.07 0.00 0.02 -1.46 0.50 113.55 113.25 1auw h SER 391 Ca 0.30 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.06 1auw h SER 391 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1auw h SER 391 CO -0.17 0.35 -0.63 1.23 -1.14 0.00 0.00 176.83 176.48 1auw h GLY 392 N 1.09 0.75 1.33 -3.77 0.00 -0.75 -1.03 103.07 100.69 1auw h GLY 392 Ca -0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 47.33 46.24 1auw h GLY 392 CO 0.05 0.84 -0.41 0.50 0.00 0.00 0.00 176.54 177.52 1auw h LYS 393 N 0.51 0.73 0.03 4.80 1.79 -0.41 -1.58 116.57 122.43 1auw h LYS 393 Ca -0.01 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1auw h LYS 393 Cb 1.21 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1auw h LYS 393 CO 0.12 1.01 -0.01 0.00 -1.08 0.00 0.00 179.45 179.49 1auw h ALA 394 N 0.94 -0.04 -0.53 3.86 0.00 -0.81 0.55 119.26 123.23 1auw h ALA 394 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1auw h ALA 394 Cb 0.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1auw h ALA 394 CO 0.09 -0.45 0.19 -0.39 0.00 0.00 0.00 179.25 178.68 1auw h VAL 395 N -0.18 1.23 -0.69 0.00 -1.51 -1.17 -1.13 116.25 112.80 1auw h VAL 395 Ca -0.00 -0.74 -0.05 0.00 -1.23 0.00 0.00 66.70 64.68 1auw h VAL 395 Cb 0.17 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 1auw h VAL 395 CO 0.01 0.28 0.24 -0.74 -1.23 0.00 0.00 177.57 176.13 1auw h HIS 396 N 0.73 1.07 0.45 5.19 6.17 -1.20 -0.58 115.15 126.98 1auw h HIS 396 Ca 0.17 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.15 1auw h HIS 396 Cb 0.24 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.86 1auw h HIS 396 CO 0.01 0.84 -0.22 1.25 0.71 0.00 0.00 177.93 180.52 1auw h LEU 397 N 1.02 -0.52 -1.21 0.26 5.85 -0.53 0.41 115.31 120.58 1auw h LEU 397 Ca 0.23 -0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.08 1auw h LEU 397 Cb 0.25 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1auw h LEU 397 CO -0.01 -0.25 0.61 0.00 -0.34 0.00 0.00 178.44 178.45 1auw h ALA 398 N -0.31 1.87 0.47 1.25 0.00 -1.07 -0.25 119.26 121.22 1auw h ALA 398 Ca -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1auw h ALA 398 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1auw h ALA 398 CO 0.10 -0.19 -0.23 1.49 0.00 0.00 0.00 179.25 180.43 1auw h GLU 399 N 0.65 -0.61 0.00 0.00 4.81 -0.63 0.02 114.58 118.81 1auw h GLU 399 Ca 0.53 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1auw h GLU 399 Cb 0.95 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1auw h GLU 399 CO -0.28 -0.38 0.00 0.25 -0.73 0.00 0.00 179.01 177.86 1auw n THR 400 N -5.34 0.00 -0.88 0.32 -2.24 0.09 -0.79 114.28 105.43 1auw n THR 400 Ca -0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1auw n THR 400 Cb 0.28 -0.59 0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1auw n THR 400 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1auw n LYS 401 N -0.77 1.27 -3.97 -0.78 5.02 -0.77 -5.03 118.16 113.13 1auw n LYS 401 Ca 0.05 -1.40 -0.28 0.00 -2.02 0.00 0.00 58.31 54.66 1auw n LYS 401 Cb 0.02 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1auw n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1auw n GLY 402 N -0.50 -0.34 3.23 0.72 0.00 0.03 -4.97 105.19 103.36 1auw n GLY 402 Ca 0.04 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1auw n GLY 402 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1auw s ILE 403 N -3.93 0.11 0.30 -0.61 1.10 -0.09 -5.03 121.20 113.04 1auw s ILE 403 Ca 0.09 -1.53 -0.24 0.00 -0.51 0.00 0.00 60.65 58.46 1auw s ILE 403 Cb -0.04 -1.76 -0.09 0.00 0.15 0.00 0.00 42.46 40.72 1auw s ILE 403 CO 0.90 -0.49 0.87 0.42 -2.11 0.00 0.00 174.94 174.53 1auw s THR 404 N -3.96 4.34 0.41 4.00 -4.23 -1.26 -4.18 115.64 110.75 1auw s THR 404 Ca 0.15 1.62 0.17 0.00 -1.18 0.00 0.00 61.69 62.46 1auw s THR 404 Cb 0.05 -3.94 0.38 0.00 1.34 0.00 0.00 72.50 70.33 1auw s THR 404 CO -0.03 0.13 1.85 0.16 -0.54 0.00 0.00 174.62 176.19 1auw h ILE 405 N 2.60 0.68 0.00 2.99 3.07 -1.92 0.23 117.51 125.16 1auw h ILE 405 Ca -0.47 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1auw h ILE 405 Cb 1.19 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 1auw h ILE 405 CO 0.65 0.08 0.00 -0.46 -1.05 0.00 0.00 178.15 177.37 1auw n ASN 406 N -4.52 0.54 -1.53 2.16 6.94 -1.26 -1.83 115.26 115.76 1auw n ASN 406 Ca 0.20 0.68 0.10 0.00 -0.02 0.00 0.00 54.58 55.53 1auw n ASN 406 Cb 0.69 -0.78 0.35 0.00 -2.36 0.00 0.00 39.78 37.68 1auw n ASN 406 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1auw n LYS 407 N -2.15 3.60 -2.69 -3.83 5.02 0.79 -4.94 118.16 113.96 1auw n LYS 407 Ca 0.01 -2.85 -0.41 0.00 -2.02 0.00 0.00 58.31 53.03 1auw n LYS 407 Cb 0.14 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 1auw n LYS 407 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1auw s LEU 408 N -1.75 4.46 0.74 -0.35 1.43 -0.76 -4.94 118.68 117.51 1auw s LEU 408 Ca 0.50 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 1auw s LEU 408 Cb 0.32 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.99 1auw s LEU 408 CO 0.25 -0.14 1.08 -0.94 0.23 0.00 0.00 176.35 176.83 1auw s SER 409 N 0.28 4.82 0.26 2.29 1.04 -1.26 -4.87 113.70 116.26 1auw s SER 409 Ca 0.49 1.78 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 1auw s SER 409 Cb -0.23 -2.52 0.34 0.00 0.10 0.00 0.00 66.02 63.71 1auw s SER 409 CO 0.30 -1.82 1.90 0.25 0.98 0.00 0.00 173.24 174.84 1auw h LEU 410 N -0.90 1.06 -0.84 2.42 7.12 -1.97 -1.58 115.31 120.62 1auw h LEU 410 Ca -0.44 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.51 1auw h LEU 410 Cb 1.23 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 1auw h LEU 410 CO 0.53 0.72 0.20 -0.33 -0.13 0.00 0.00 178.44 179.43 1auw h GLU 411 N 1.23 1.06 -0.15 1.25 4.39 -1.97 0.13 114.58 120.53 1auw h GLU 411 Ca 0.40 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1auw h GLU 411 Cb 0.03 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1auw h GLU 411 CO -0.13 0.92 0.09 -0.44 -1.16 0.00 0.00 179.01 178.29 1auw h ASP 412 N 1.02 0.18 -0.17 1.42 3.32 -1.72 0.23 116.42 120.70 1auw h ASP 412 Ca 0.22 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1auw h ASP 412 Cb 0.31 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1auw h ASP 412 CO -0.00 0.15 0.03 -0.07 -1.72 0.00 0.00 179.24 177.63 1auw h LEU 413 N 0.18 0.01 -1.83 1.55 4.07 -0.79 -0.92 115.31 117.58 1auw h LEU 413 Ca 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1auw h LEU 413 Cb 0.01 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1auw h LEU 413 CO -0.01 0.03 -0.10 0.11 -1.08 0.00 0.00 178.44 177.39 1auw h LYS 414 N 0.10 0.00 0.00 1.13 1.57 -0.45 0.20 116.57 119.12 1auw h LYS 414 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1auw h LYS 414 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1auw h LYS 414 CO -0.11 0.10 0.00 0.45 -0.57 0.00 0.00 179.45 179.33 1auw n SER 415 N -4.34 0.65 -0.12 0.86 2.88 0.80 -2.96 113.62 111.39 1auw n SER 415 Ca -0.03 0.68 -0.22 0.00 -1.33 0.00 0.00 58.87 57.97 1auw n SER 415 Cb 0.18 -0.81 -0.07 0.00 -0.75 0.00 0.00 64.21 62.76 1auw n SER 415 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1auw n ILE 416 N -2.23 1.52 -3.74 2.46 5.41 0.48 -4.99 119.36 118.25 1auw n ILE 416 Ca 0.02 -0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.45 1auw n ILE 416 Cb 0.20 -2.06 -0.15 0.00 -0.71 0.00 0.00 39.64 36.92 1auw n ILE 416 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1auw s SER 417 N -6.87 0.02 0.54 4.38 0.15 0.10 -5.02 113.70 107.00 1auw s SER 417 Ca -0.34 0.25 0.23 0.00 0.70 0.00 0.00 55.95 56.78 1auw s SER 417 Cb 0.10 0.14 1.41 0.00 -1.71 0.00 0.00 66.02 65.96 1auw s SER 417 CO 0.47 -0.16 2.08 -0.65 1.20 0.00 0.00 173.24 176.18 1auw h PRO 418 N 7.37 0.00 0.00 5.44 0.11 -1.83 -2.51 132.00 140.58 1auw h PRO 418 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1auw h PRO 418 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1auw h PRO 418 CO 0.41 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.24 1auw n GLN 419 N -4.32 0.25 -2.67 1.05 3.00 -1.26 -4.66 117.38 108.77 1auw n GLN 419 Ca 0.03 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1auw n GLN 419 Cb 0.36 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.07 1auw n GLN 419 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1auw s PHE 420 N -2.38 3.29 0.44 1.08 0.08 -0.95 -4.99 117.98 114.56 1auw s PHE 420 Ca 0.14 1.39 0.01 0.00 0.12 0.00 0.00 56.93 58.59 1auw s PHE 420 Cb 0.08 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1auw s PHE 420 CO 0.17 -0.54 0.09 0.45 -0.10 0.00 0.00 175.22 175.29 1auw n SER 421 N 6.43 3.01 0.26 1.36 2.88 -1.26 -4.64 113.62 121.67 1auw n SER 421 Ca 0.12 -2.82 0.09 0.00 -1.33 0.00 0.00 58.87 54.93 1auw n SER 421 Cb 0.46 0.21 0.68 0.00 -0.75 0.00 0.00 64.21 64.82 1auw n SER 421 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1auw h SER 422 N 0.91 0.00 0.35 -3.46 4.64 -1.98 -2.24 113.55 111.78 1auw h SER 422 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1auw h SER 422 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1auw h SER 422 CO 0.56 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1auw n ASP 423 N -4.43 0.00 0.03 4.97 5.75 -1.26 -2.54 116.55 119.07 1auw n ASP 423 Ca -0.03 0.48 0.06 0.00 -0.01 0.00 0.00 54.79 55.29 1auw n ASP 423 Cb 0.10 -0.49 0.26 0.00 -1.03 0.00 0.00 41.12 39.95 1auw n ASP 423 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1auw n VAL 424 N -1.49 1.29 -0.15 2.12 3.14 -0.84 -2.25 118.33 120.15 1auw n VAL 424 Ca 0.03 0.36 -0.09 0.00 -2.96 0.00 0.00 64.34 61.68 1auw n VAL 424 Cb 0.12 -1.24 -0.00 0.00 -1.06 0.00 0.00 33.84 31.66 1auw n VAL 424 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1auw h SER 425 N 0.00 0.64 -0.60 6.55 4.64 -1.74 -2.89 113.55 120.15 1auw h SER 425 Ca 0.00 -0.22 0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1auw h SER 425 Cb 0.17 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1auw h SER 425 CO 0.00 0.69 0.43 1.56 -0.87 0.00 0.00 176.83 178.64 1auw h GLN 426 N 0.55 0.04 -0.80 4.77 1.08 -1.72 -1.55 115.11 117.47 1auw h GLN 426 Ca 0.14 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 1auw h GLN 426 Cb 0.30 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 1auw h GLN 426 CO -0.00 0.03 0.48 0.28 -0.95 0.00 0.00 178.83 178.67 1auw h VAL 427 N 0.04 1.01 0.00 -0.54 2.07 -1.67 -3.24 116.25 113.92 1auw h VAL 427 Ca 0.29 -0.30 -0.60 0.00 0.82 0.00 0.00 66.70 66.91 1auw h VAL 427 Cb 1.09 0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1auw h VAL 427 CO -0.01 0.16 3.38 0.49 0.02 0.00 0.00 177.57 181.60 1auw n PHE 428 N -4.68 2.10 -3.69 1.57 3.72 -0.59 -4.67 117.46 111.23 1auw n PHE 428 Ca 0.11 -2.84 -0.12 0.00 -0.05 0.00 0.00 57.45 54.56 1auw n PHE 428 Cb 0.18 -2.33 -0.12 0.00 -0.94 0.00 0.00 39.48 36.27 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 2.29 -0.16 0.21 4.37 3.84 -1.22 -5.06 114.94 119.20 1auw s ASN 429 Ca 0.66 0.69 -0.08 0.00 0.21 0.00 0.00 52.86 54.34 1auw s ASN 429 Cb 0.18 0.68 0.16 0.00 -0.55 0.00 0.00 41.25 41.72 1auw s ASN 429 CO -0.05 -0.20 1.78 -0.26 -2.79 0.00 0.00 177.10 175.58 1auw h PHE 430 N 7.59 1.19 -0.28 0.43 0.04 -1.92 -0.68 116.94 123.31 1auw h PHE 430 Ca -0.30 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.39 1auw h PHE 430 Cb 1.15 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 1auw h PHE 430 CO 0.33 0.89 0.16 0.28 -0.60 0.00 0.00 178.31 179.36 1auw h VAL 431 N 1.14 1.12 -0.53 -0.55 2.07 -1.97 0.54 116.25 118.08 1auw h VAL 431 Ca 0.27 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1auw h VAL 431 Cb 0.19 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1auw h VAL 431 CO -0.03 0.12 0.35 0.78 0.02 0.00 0.00 177.57 178.82 1auw h ASN 432 N 0.34 0.55 -0.05 0.57 4.21 -1.78 -0.26 115.58 119.16 1auw h ASN 432 Ca 0.10 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 1auw h ASN 432 Cb 0.06 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1auw h ASN 432 CO -0.02 0.38 -0.02 -1.28 -1.29 0.00 0.00 177.43 175.21 1auw h SER 433 N 0.64 0.10 -0.88 5.81 0.87 -0.39 -3.16 113.55 116.54 1auw h SER 433 Ca 0.21 -0.40 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1auw h SER 433 Cb 0.04 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1auw h SER 433 CO -0.05 0.48 0.58 0.58 -0.53 0.00 0.00 176.83 177.88 1auw h VAL 434 N -0.28 1.10 0.00 2.23 2.07 -0.03 -2.50 116.25 118.84 1auw h VAL 434 Ca 0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1auw h VAL 434 Cb 0.44 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1auw h VAL 434 CO 0.01 0.19 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 1auw h GLU 435 N 1.04 0.00 -0.50 1.57 4.39 -1.05 -3.07 114.58 116.97 1auw h GLU 435 Ca 0.37 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.12 1auw h GLU 435 Cb 0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1auw h GLU 435 CO -0.13 0.00 0.33 1.96 -1.16 0.00 0.00 179.01 180.02 1auw h GLN 436 N 0.00 0.44 -3.51 2.33 4.20 -1.42 -3.26 115.11 113.89 1auw h GLN 436 Ca 0.00 -0.03 -0.74 0.00 0.06 0.00 0.00 58.65 57.95 1auw h GLN 436 Cb 0.42 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.00 1auw h GLN 436 CO 0.00 0.29 2.54 0.66 -0.67 0.00 0.00 178.83 181.65 1auw n TYR 437 N -4.48 3.03 0.41 2.96 4.01 -1.18 -4.58 117.16 117.33 1auw n TYR 437 Ca 0.06 -2.87 0.12 0.00 -0.16 0.00 0.00 57.90 55.05 1auw n TYR 437 Cb 0.23 -2.16 0.10 0.00 -0.31 0.00 0.00 39.34 37.20 1auw n TYR 437 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1auw h THR 438 N 3.64 0.00 -3.67 -0.72 1.35 -1.86 0.10 112.91 111.75 1auw h THR 438 Ca 0.52 -0.66 -0.53 0.00 -0.55 0.00 0.00 66.41 65.19 1auw h THR 438 Cb 0.57 1.19 0.21 0.00 -1.73 0.00 0.00 68.15 68.39 1auw h THR 438 CO 1.70 0.00 -0.29 0.00 -0.25 0.00 0.00 175.52 176.69 1auw n ALA 439 N -1.94 -1.86 -1.67 6.62 0.00 -1.26 -4.61 120.51 115.78 1auw n ALA 439 Ca 0.02 -0.54 -0.47 0.00 0.00 0.00 0.00 53.44 52.45 1auw n ALA 439 Cb 0.48 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1auw n ALA 439 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1auw n LEU 440 N -2.12 3.58 0.00 0.00 4.77 -1.26 -1.43 117.00 120.54 1auw n LEU 440 Ca 0.09 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1auw n LEU 440 Cb 0.53 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1auw n LEU 440 CO 0.50 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1auw n GLY 441 N 4.56 0.63 3.12 -0.72 0.00 -1.26 -5.07 105.19 106.45 1auw n GLY 441 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1auw n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auw n GLY 442 N -2.01 -1.15 0.04 -0.02 0.00 -0.51 -5.01 105.19 96.53 1auw n GLY 442 Ca 0.00 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1auw n GLY 442 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1auw n THR 443 N -3.36 0.20 -1.66 2.61 -1.04 -1.13 -3.99 114.28 105.91 1auw n THR 443 Ca 0.13 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1auw n THR 443 Cb 0.47 -0.13 0.02 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.65 0.75 -0.33 2.41 0.00 0.34 -4.63 120.51 117.40 1auw n ALA 444 Ca 0.05 0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.83 1auw n ALA 444 Cb 0.38 -2.18 0.34 0.00 0.00 0.00 0.00 19.45 17.98 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 1.55 0.54 -0.58 0.00 3.64 -1.88 0.11 116.57 119.95 1auw h LYS 445 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1auw h LYS 445 Cb 1.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1auw h LYS 445 CO 0.57 0.36 0.37 0.66 -2.27 0.00 0.00 179.45 179.14 1auw h SER 446 N 0.56 0.69 -0.54 4.20 4.64 -1.94 0.38 113.55 121.53 1auw h SER 446 Ca 0.59 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.81 1auw h SER 446 Cb 1.07 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1auw h SER 446 CO -0.47 0.52 0.10 0.28 -0.87 0.00 0.00 176.83 176.39 1auw h SER 447 N 0.79 0.85 -0.61 4.97 0.02 -1.29 -1.31 113.55 116.96 1auw h SER 447 Ca 0.21 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1auw h SER 447 Cb -0.06 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1auw h SER 447 CO -0.04 0.89 0.24 0.58 -1.14 0.00 0.00 176.83 177.35 1auw h VAL 448 N 0.78 1.23 -0.36 2.27 2.07 -0.81 -2.14 116.25 119.29 1auw h VAL 448 Ca 0.17 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1auw h VAL 448 Cb 0.39 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1auw h VAL 448 CO 0.01 0.29 0.19 0.74 0.02 0.00 0.00 177.57 178.82 1auw h THR 449 N 0.86 0.99 -0.23 2.57 2.02 -0.62 -1.69 112.91 116.82 1auw h THR 449 Ca 0.20 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1auw h THR 449 Cb 0.22 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1auw h THR 449 CO -0.01 0.07 0.07 0.74 0.37 0.00 0.00 175.52 176.75 1auw h THR 450 N 0.38 0.93 -0.69 3.16 2.02 -1.04 -2.51 112.91 115.15 1auw h THR 450 Ca 0.15 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.38 1auw h THR 450 Cb 0.05 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.13 1auw h THR 450 CO -0.10 0.03 0.31 1.56 0.37 0.00 0.00 175.52 177.70 1auw h GLN 451 N 0.17 0.51 -0.93 6.66 4.20 -0.83 0.15 115.11 125.05 1auw h GLN 451 Ca 0.10 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1auw h GLN 451 Cb 0.08 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 1auw h GLN 451 CO -0.11 0.34 0.60 0.82 -0.67 0.00 0.00 178.83 179.80 1auw h ILE 452 N 0.52 1.13 0.10 2.54 2.04 -0.93 -1.37 117.51 121.55 1auw h ILE 452 Ca 0.35 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1auw h ILE 452 Cb 0.42 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1auw h ILE 452 CO -0.30 0.21 -0.05 -0.33 0.00 0.00 0.00 178.15 177.68 1auw h GLU 453 N 1.14 -0.13 -0.94 2.37 5.08 -0.69 -2.22 114.58 119.19 1auw h GLU 453 Ca 0.38 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.88 1auw h GLU 453 Cb 0.06 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1auw h GLU 453 CO -0.14 0.26 0.56 1.96 -1.00 0.00 0.00 179.01 180.65 1auw h GLN 454 N -0.55 0.81 -0.12 2.33 4.20 -0.87 -0.85 115.11 120.06 1auw h GLN 454 Ca -0.01 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1auw h GLN 454 Cb 0.45 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1auw h GLN 454 CO 0.02 0.54 -0.61 -0.07 -0.67 0.00 0.00 178.83 178.05 1auw h LEU 455 N 0.84 0.46 -1.00 1.46 3.38 -1.26 -1.46 115.31 117.73 1auw h LEU 455 Ca 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1auw h LEU 455 Cb 0.56 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1auw h LEU 455 CO -0.30 0.96 0.43 0.03 0.09 0.00 0.00 178.44 179.65 1auw h ARG 456 N 0.30 1.14 -0.27 1.13 3.08 -0.54 0.18 114.38 119.40 1auw h ARG 456 Ca -0.01 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1auw h ARG 456 Cb 1.14 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1auw h ARG 456 CO 0.10 0.84 -0.26 0.93 -1.07 0.00 0.00 179.97 180.51 1auw h GLU 457 N 1.14 0.65 -0.42 0.04 4.39 -1.17 0.56 114.58 119.76 1auw h GLU 457 Ca 0.29 -0.34 0.08 0.00 0.34 0.00 0.00 59.36 59.72 1auw h GLU 457 Cb 0.04 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 1auw h GLU 457 CO -0.04 0.94 0.03 -0.07 -1.16 0.00 0.00 179.01 178.71 1auw h LEU 458 N 0.37 -0.12 -0.56 1.33 4.07 -0.29 -0.87 115.31 119.24 1auw h LEU 458 Ca 0.04 0.09 -0.08 0.00 0.08 0.00 0.00 57.88 58.01 1auw h LEU 458 Cb 0.82 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 1auw h LEU 458 CO 0.07 -0.03 0.03 0.24 -1.08 0.00 0.00 178.44 177.67 1auw h MET 459 N 0.14 0.96 -0.99 1.13 2.86 -0.58 -2.77 114.93 115.69 1auw h MET 459 Ca 0.21 -0.29 0.21 0.00 -2.06 0.00 0.00 59.70 57.77 1auw h MET 459 Cb 0.29 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.76 1auw h MET 459 CO -0.33 0.95 0.62 -0.22 1.06 0.00 0.00 176.91 179.00 1auw h LYS 460 N 0.85 0.57 -2.54 1.72 1.63 0.47 -2.06 116.57 117.20 1auw h LYS 460 Ca 0.16 -0.03 -0.62 0.00 -0.85 0.00 0.00 60.65 59.30 1auw h LYS 460 Cb 0.50 -0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 31.91 1auw h LYS 460 CO 0.02 0.38 2.12 1.63 -3.45 0.00 0.00 179.45 180.15 1auw n LYS 461 N -4.68 3.72 -0.00 1.90 4.76 -0.67 -4.28 118.16 118.90 1auw n LYS 461 Ca 0.23 -2.70 0.10 0.00 -2.87 0.00 0.00 58.31 53.07 1auw n LYS 461 Cb 0.68 -2.52 -0.14 0.00 -1.84 0.00 0.00 35.03 31.22 1auw n LYS 461 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1auw n GLN 462 N 2.10 0.57 0.00 1.97 0.00 -0.78 -5.02 117.38 116.23 1auw n GLN 462 Ca 0.62 -0.10 0.14 0.00 0.00 0.00 0.00 57.00 57.67 1auw n GLN 462 Cb 0.37 -1.45 0.59 0.00 0.00 0.00 0.00 30.24 29.75 1auw n GLN 462 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69