#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n LYS 8 N 0.00 0.32 0.00 5.55 0.00 -1.26 -4.56 118.16 118.21 3huw n LYS 8 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3huw n LYS 8 Cb 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 3huw n LYS 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3huw n GLU 9 N -3.70 0.00 0.38 -1.58 -0.58 -1.26 0.26 120.64 114.17 3huw n GLU 9 Ca -0.08 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.50 3huw n GLU 9 Cb 0.31 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.11 3huw n GLU 9 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3huw h LEU 10 N 0.00 -0.84 -0.37 -4.62 3.38 -1.98 -1.78 115.31 109.10 3huw h LEU 10 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3huw h LEU 10 Cb 0.00 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3huw h LEU 10 CO 0.00 -0.52 0.00 0.18 0.09 0.00 0.00 178.44 178.19 3huw n LEU 11 N -5.11 0.10 -0.06 1.67 4.77 0.16 0.11 117.00 118.63 3huw n LEU 11 Ca -0.12 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 3huw n LEU 11 Cb 0.39 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3huw n LEU 11 CO 0.30 0.03 -0.27 -0.33 -1.33 0.00 0.00 177.39 175.78 3huw h GLU 12 N 0.27 0.00 -0.34 3.23 5.08 0.46 -3.31 114.58 119.96 3huw h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3huw h GLU 12 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3huw h GLU 12 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3huw n ALA 13 N -3.43 2.45 0.42 3.43 0.00 -0.54 -3.40 120.51 119.45 3huw n ALA 13 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3huw n ALA 13 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3huw n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 14 N 1.07 0.72 0.00 0.00 0.00 0.30 -4.39 105.19 102.89 3huw n GLY 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3huw n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3huw n VAL 15 N 0.51 0.00 -0.37 1.61 0.24 -1.26 -4.90 118.33 114.16 3huw n VAL 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3huw n VAL 15 Cb 0.15 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3huw n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3huw n HIS 16 N 0.00 0.00 -1.96 6.34 -0.00 -1.22 -3.84 115.22 114.55 3huw n HIS 16 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3huw n HIS 16 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.11 3huw n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3huw s PHE 17 N 0.00 2.53 0.19 4.41 -0.00 -1.26 -3.86 117.98 120.00 3huw s PHE 17 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 56.93 57.50 3huw s PHE 17 Cb 0.00 -3.64 0.00 0.00 -0.00 0.00 0.00 43.02 39.38 3huw s PHE 17 CO 0.00 -1.99 0.00 0.41 -0.00 0.00 0.00 175.22 173.64 3huw n GLY 18 N -3.40 -1.03 0.00 1.99 0.00 -1.26 -4.82 105.19 96.67 3huw n GLY 18 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3huw n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3huw n HIS 19 N -3.12 0.00 -0.78 1.61 -0.00 -0.74 -4.53 115.22 107.66 3huw n HIS 19 Ca -0.02 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.89 3huw n HIS 19 Cb 0.41 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.27 3huw n HIS 19 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3huw n GLU 20 N 0.00 0.00 -4.45 1.57 0.00 -1.26 -1.83 120.64 114.67 3huw n GLU 20 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 3huw n GLU 20 Cb 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 31.44 30.75 3huw n GLU 20 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3huw s ARG 21 N -0.57 1.95 0.00 3.44 1.70 -1.26 -2.80 118.95 121.40 3huw s ARG 21 Ca 0.36 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 3huw s ARG 21 Cb -0.49 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 3huw s ARG 21 CO 0.33 0.51 0.00 1.63 -1.08 0.00 0.00 175.30 176.69 3huw n LYS 22 N 1.13 0.00 0.00 3.89 4.76 -1.26 -4.56 118.16 122.12 3huw n LYS 22 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3huw n LYS 22 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3huw n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3huw n ARG 23 N 0.00 0.00 -1.42 1.97 0.63 -1.26 -4.78 116.66 111.80 3huw n ARG 23 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3huw n ARG 23 Cb 0.00 -1.24 0.04 0.00 0.45 0.00 0.00 32.46 31.71 3huw n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3huw n TRP 24 N 2.57 -3.12 -3.31 -0.14 4.27 -1.26 -4.84 117.44 111.61 3huw n TRP 24 Ca 0.00 -0.69 -0.25 0.00 -3.89 0.00 0.00 57.50 52.67 3huw n TRP 24 Cb 0.00 -0.26 -0.08 0.00 -1.36 0.00 0.00 31.31 29.61 3huw n TRP 24 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 3huw n ASN 25 N -2.92 0.77 0.00 -0.67 2.85 -1.22 -4.98 115.26 109.09 3huw n ASN 25 Ca 0.06 -2.78 0.00 0.00 -0.11 0.00 0.00 54.58 51.75 3huw n ASN 25 Cb 0.22 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.61 3huw n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3huw n PRO 26 N 1.63 0.00 -0.22 1.20 -0.04 -1.26 -1.69 135.00 134.62 3huw n PRO 26 Ca 0.24 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 3huw n PRO 26 Cb 0.49 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.09 3huw n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3huw h LYS 27 N 0.00 0.36 -4.18 0.54 1.79 -1.96 -3.21 116.57 109.92 3huw h LYS 27 Ca 0.00 -0.02 -0.40 0.00 -2.18 0.00 0.00 60.65 58.05 3huw h LYS 27 Cb 0.00 -0.08 0.05 0.00 -1.58 0.00 0.00 32.23 30.62 3huw h LYS 27 CO 0.00 0.24 1.87 0.34 -1.08 0.00 0.00 179.45 180.82 3huw n PHE 28 N -5.04 0.87 -0.09 -1.35 -0.00 -0.68 -4.29 117.46 106.88 3huw n PHE 28 Ca 0.11 -1.25 -0.18 0.00 -0.00 0.00 0.00 57.45 56.12 3huw n PHE 28 Cb 0.34 -1.22 -0.07 0.00 -0.00 0.00 0.00 39.48 38.52 3huw n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3huw n ALA 29 N 6.26 1.74 0.21 3.13 0.00 -1.21 -4.45 120.51 126.20 3huw n ALA 29 Ca 0.35 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 53.11 3huw n ALA 29 Cb 0.23 0.22 0.35 0.00 0.00 0.00 0.00 19.45 20.25 3huw n ALA 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3huw h ARG 30 N -0.52 0.00 -1.22 0.00 0.11 -1.91 0.69 114.38 111.53 3huw h ARG 30 Ca -0.46 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.00 3huw h ARG 30 Cb 1.46 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 32.17 3huw h ARG 30 CO -0.24 0.00 -0.20 0.66 0.10 0.00 0.00 179.97 180.29 3huw n TYR 31 N -2.21 3.08 -4.34 4.08 0.53 -1.26 -5.03 117.16 112.02 3huw n TYR 31 Ca -0.01 -2.66 -0.23 0.00 -1.02 0.00 0.00 57.90 53.98 3huw n TYR 31 Cb 0.47 -0.59 -0.13 0.00 -1.03 0.00 0.00 39.34 38.06 3huw n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3huw s ILE 32 N -5.00 1.57 0.00 -0.72 1.10 0.24 -3.59 121.20 114.80 3huw s ILE 32 Ca 0.53 -1.41 0.00 0.00 -0.51 0.00 0.00 60.65 59.26 3huw s ILE 32 Cb 0.43 -1.43 0.00 0.00 0.15 0.00 0.00 42.46 41.61 3huw s ILE 32 CO -0.11 -0.03 0.00 0.00 -2.11 0.00 0.00 174.94 172.69 3huw n TYR 33 N 1.31 0.00 -2.93 3.50 9.36 -0.57 -4.43 117.16 123.39 3huw n TYR 33 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 3huw n TYR 33 Cb 0.54 0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3huw n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3huw n ALA 34 N -2.44 0.00 -2.06 2.98 0.00 0.54 -4.94 120.51 114.58 3huw n ALA 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3huw n ALA 34 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 3huw n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3huw n GLU 35 N 0.00 0.00 -1.90 0.00 2.13 -1.24 0.75 120.64 120.37 3huw n GLU 35 Ca 0.00 -0.78 -0.41 0.00 0.66 0.00 0.00 57.16 56.63 3huw n GLU 35 Cb 0.00 0.15 -0.01 0.00 0.27 0.00 0.00 31.44 31.85 3huw n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3huw s ARG 36 N 0.00 4.19 -1.06 5.31 3.00 -1.20 -1.90 118.95 127.29 3huw s ARG 36 Ca 0.04 2.45 -0.04 0.00 0.00 0.00 0.00 55.73 58.19 3huw s ARG 36 Cb 0.05 -3.02 0.00 0.00 0.00 0.00 0.00 34.95 31.98 3huw s ARG 36 CO -0.02 -0.45 0.47 0.09 0.00 0.00 0.00 175.30 175.38 3huw n ASN 37 N 1.13 -4.76 0.00 0.23 3.02 -1.26 -3.70 115.26 109.93 3huw n ASN 37 Ca 0.03 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3huw n ASN 37 Cb 0.40 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 3huw n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3huw n GLY 38 N -1.32 1.44 2.59 7.41 0.00 -0.80 -4.92 105.19 109.60 3huw n GLY 38 Ca -0.07 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3huw n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3huw n ILE 39 N 0.00 0.89 -2.89 -0.61 5.41 -1.24 -4.43 119.36 116.48 3huw n ILE 39 Ca 0.00 -0.39 -0.43 0.00 1.00 0.00 0.00 62.75 62.93 3huw n ILE 39 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3huw n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3huw s HIS 40 N -1.11 2.91 -0.94 1.39 3.76 -0.76 -3.25 115.29 117.30 3huw s HIS 40 Ca 0.47 0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 55.29 3huw s HIS 40 Cb -0.58 -3.88 -0.02 0.00 1.11 0.00 0.00 32.58 29.22 3huw s HIS 40 CO 0.47 -1.13 1.79 0.42 -0.85 0.00 0.00 174.74 175.43 3huw s ILE 41 N 3.61 3.59 0.36 0.60 1.09 0.23 -1.79 121.20 128.89 3huw s ILE 41 Ca 0.32 -0.48 -0.27 0.00 -1.10 0.00 0.00 60.65 59.11 3huw s ILE 41 Cb -0.12 -4.33 -0.12 0.00 -1.06 0.00 0.00 42.46 36.83 3huw s ILE 41 CO 0.22 -1.26 1.13 0.00 -0.10 0.00 0.00 174.94 174.94 3huw n ILE 42 N 7.56 2.17 -2.03 2.92 3.06 -1.26 -0.34 119.36 131.44 3huw n ILE 42 Ca 0.38 -0.50 -0.35 0.00 -2.50 0.00 0.00 62.75 59.77 3huw n ILE 42 Cb 0.48 -1.30 -0.04 0.00 0.54 0.00 0.00 39.64 39.33 3huw n ILE 42 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3huw s ASP 43 N -0.51 5.22 0.00 9.51 2.15 -1.24 -4.33 116.67 127.47 3huw s ASP 43 Ca 0.59 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.65 3huw s ASP 43 Cb -0.60 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.49 3huw s ASP 43 CO 0.60 -2.49 0.51 0.18 -0.17 0.00 0.00 175.17 173.80 3huw n LEU 44 N 13.15 0.00 -0.22 -1.34 4.32 -1.26 -1.09 117.00 130.56 3huw n LEU 44 Ca 0.26 0.51 -0.05 0.00 -0.02 0.00 0.00 56.01 56.70 3huw n LEU 44 Cb 0.51 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 3huw n LEU 44 CO 0.68 -0.19 0.61 -0.61 -1.22 0.00 0.00 177.39 176.66 3huw h GLN 45 N 0.00 -0.15 -0.87 3.23 4.15 -2.00 0.12 115.11 119.58 3huw h GLN 45 Ca 0.00 0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.75 3huw h GLN 45 Cb 0.00 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 27.57 3huw h GLN 45 CO 0.00 -0.10 0.29 1.17 -1.93 0.00 0.00 178.83 178.25 3huw n LYS 46 N -5.43 -0.06 0.36 1.69 3.00 -0.25 0.13 118.16 117.60 3huw n LYS 46 Ca 0.04 1.25 -0.18 0.00 -0.00 0.00 0.00 58.31 59.42 3huw n LYS 46 Cb 0.36 -2.13 -0.09 0.00 0.00 0.00 0.00 35.03 33.17 3huw n LYS 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3huw h THR 47 N 0.00 0.34 -0.15 3.15 2.02 -0.45 -2.83 112.91 114.99 3huw h THR 47 Ca 0.65 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.80 3huw h THR 47 Cb 1.61 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3huw h THR 47 CO -0.73 0.01 -0.09 0.80 0.37 0.00 0.00 175.52 175.88 3huw n MET 48 N -5.46 -0.07 -0.45 6.66 0.00 0.34 -0.07 117.12 118.08 3huw n MET 48 Ca -0.13 1.03 0.39 0.00 -0.00 0.00 0.00 57.70 58.98 3huw n MET 48 Cb 0.37 -1.54 0.66 0.00 0.00 0.00 0.00 33.22 32.70 3huw n MET 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3huw n GLU 49 N -3.30 -0.04 0.19 2.12 1.02 -0.75 0.15 120.64 120.03 3huw n GLU 49 Ca 0.00 1.26 0.11 0.00 -0.02 0.00 0.00 57.16 58.51 3huw n GLU 49 Cb 0.04 -2.45 0.13 0.00 -0.02 0.00 0.00 31.44 29.14 3huw n GLU 49 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3huw h GLU 50 N 0.00 0.00 0.02 3.49 4.39 -0.23 -3.07 114.58 119.19 3huw h GLU 50 Ca 0.87 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.52 3huw h GLU 50 Cb 2.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.38 3huw h GLU 50 CO -0.50 0.07 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.14 3huw h LEU 51 N 0.00 0.15 0.00 1.33 3.38 0.23 0.43 115.31 120.84 3huw h LEU 51 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3huw h LEU 51 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3huw h LEU 51 CO 0.01 1.00 0.00 1.21 0.09 0.00 0.00 178.44 180.75 3huw n GLU 52 N -4.52 0.01 -0.10 1.13 2.13 -0.88 0.77 120.64 119.19 3huw n GLU 52 Ca -0.10 0.39 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 3huw n GLU 52 Cb 0.52 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.68 3huw n GLU 52 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3huw n ARG 53 N -1.44 0.53 -0.11 5.31 0.00 -1.15 -4.45 116.66 115.34 3huw n ARG 53 Ca 0.01 0.21 -0.13 0.00 -0.00 0.00 0.00 57.85 57.95 3huw n ARG 53 Cb 0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 32.46 31.07 3huw n ARG 53 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3huw h THR 54 N -0.97 1.27 0.00 5.15 2.02 0.29 -3.16 112.91 117.52 3huw h THR 54 Ca -0.16 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 3huw h THR 54 Cb 1.11 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3huw h THR 54 CO -0.10 0.53 -0.06 -0.26 0.37 0.00 0.00 175.52 176.00 3huw h PHE 55 N 0.75 0.00 -0.73 3.16 0.04 0.14 -0.58 116.94 119.72 3huw h PHE 55 Ca 0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3huw h PHE 55 Cb 0.99 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.11 3huw h PHE 55 CO 0.06 0.06 0.38 0.00 -0.60 0.00 0.00 178.31 178.22 3huw h ARG 56 N 0.00 1.02 -0.63 1.51 2.47 -1.72 -0.43 114.38 116.61 3huw h ARG 56 Ca -0.00 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3huw h ARG 56 Cb 0.17 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3huw h ARG 56 CO 0.01 0.77 0.30 0.35 0.56 0.00 0.00 179.97 181.96 3huw h PHE 57 N 1.01 0.92 0.16 3.04 3.57 -1.23 -0.75 116.94 123.65 3huw h PHE 57 Ca 0.25 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3huw h PHE 57 Cb 0.06 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3huw h PHE 57 CO 0.00 0.69 -0.08 0.82 -2.23 0.00 0.00 178.31 177.52 3huw h ILE 58 N 0.87 0.00 -1.60 1.41 1.08 -1.25 0.70 117.51 118.72 3huw h ILE 58 Ca 0.22 -0.15 0.47 0.00 -0.39 0.00 0.00 64.86 65.00 3huw h ILE 58 Cb 0.13 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.81 3huw h ILE 58 CO -0.03 0.00 1.23 -0.08 -0.69 0.00 0.00 178.15 178.59 3huw h GLU 59 N -0.36 0.00 0.00 2.37 4.81 -1.17 0.80 114.58 121.03 3huw h GLU 59 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3huw h GLU 59 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3huw h GLU 59 CO 0.04 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.85 3huw n ASP 60 N -3.88 0.00 -0.26 1.04 4.64 -0.29 -3.14 116.55 114.66 3huw n ASP 60 Ca 0.36 0.05 0.28 0.00 -1.38 0.00 0.00 54.79 54.10 3huw n ASP 60 Cb 1.73 0.00 0.43 0.00 -1.04 0.00 0.00 41.12 42.23 3huw n ASP 60 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3huw n LEU 61 N -0.28 0.00 0.00 -2.67 7.94 0.24 0.11 117.00 122.35 3huw n LEU 61 Ca 0.00 0.67 -0.17 0.00 -1.11 0.00 0.00 56.01 55.40 3huw n LEU 61 Cb 0.00 -0.26 -0.11 0.00 0.53 0.00 0.00 43.42 43.58 3huw n LEU 61 CO 0.00 -0.67 0.25 0.00 -1.11 0.00 0.00 177.39 175.86 3huw h ALA 62 N 0.51 0.07 0.00 1.96 0.00 -1.00 0.81 119.26 121.61 3huw h ALA 62 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3huw h ALA 62 Cb 2.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3huw h ALA 62 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3huw n MET 63 N -4.23 0.25 -0.39 0.00 0.00 0.31 -1.33 117.12 111.75 3huw n MET 63 Ca -0.10 0.11 0.06 0.00 0.00 0.00 0.00 57.70 57.77 3huw n MET 63 Cb 0.67 -1.50 0.20 0.00 0.00 0.00 0.00 33.22 32.58 3huw n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3huw n ARG 64 N -1.19 1.89 -0.86 3.17 1.85 -1.14 -4.94 116.66 115.44 3huw n ARG 64 Ca 0.07 -2.87 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 3huw n ARG 64 Cb 0.08 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 3huw n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3huw n GLY 65 N -1.07 0.54 3.57 2.89 0.00 -0.44 -4.94 105.19 105.74 3huw n GLY 65 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3huw n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huw s GLY 66 N -2.00 -0.00 0.52 -0.02 0.00 0.28 -4.95 107.32 101.14 3huw s GLY 66 Ca 0.00 0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 3huw s GLY 66 CO 0.00 3.92 1.12 -0.51 0.00 0.00 0.00 173.10 177.64 3huw s THR 67 N 10.36 3.23 0.06 0.90 -4.23 -1.26 -4.20 115.64 120.51 3huw s THR 67 Ca 0.95 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 62.30 3huw s THR 67 Cb -0.22 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3huw s THR 67 CO 0.29 -0.14 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.48 3huw s ILE 68 N -1.75 0.95 -0.13 2.99 -1.09 -1.26 -1.04 121.20 119.87 3huw s ILE 68 Ca 0.70 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3huw s ILE 68 Cb -0.24 -0.94 0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3huw s ILE 68 CO 0.27 -0.26 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.35 3huw s LEU 69 N -1.66 1.76 0.07 2.97 2.96 -1.23 -3.07 118.68 120.48 3huw s LEU 69 Ca -0.04 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 3huw s LEU 69 Cb -0.10 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.35 3huw s LEU 69 CO 0.02 -0.01 0.50 -0.36 -1.32 0.00 0.00 176.35 175.18 3huw s PHE 70 N 1.17 3.71 -0.09 5.38 0.40 0.15 -2.18 117.98 126.53 3huw s PHE 70 Ca -0.02 1.09 0.01 0.00 -0.60 0.00 0.00 56.93 57.41 3huw s PHE 70 Cb -0.14 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.04 3huw s PHE 70 CO -0.05 0.56 -0.08 0.08 0.70 0.00 0.00 175.22 176.42 3huw s VAL 71 N -1.22 0.95 -0.26 -0.44 1.01 0.10 -2.59 120.40 117.95 3huw s VAL 71 Ca 0.30 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3huw s VAL 71 Cb -0.17 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.34 3huw s VAL 71 CO 0.17 0.34 0.69 -0.83 0.00 0.00 0.00 175.10 175.46 3huw s GLY 72 N 1.29 -0.52 0.00 4.51 0.00 -1.17 -2.47 107.32 108.96 3huw s GLY 72 Ca -0.03 1.95 0.00 0.00 0.00 0.00 0.00 44.72 46.63 3huw s GLY 72 CO -0.03 1.69 0.00 -1.30 0.00 0.00 0.00 173.10 173.46 3huw n THR 73 N 2.75 0.00 -1.36 0.90 -2.24 -1.26 -4.04 114.28 109.04 3huw n THR 73 Ca -0.14 0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.11 3huw n THR 73 Cb 0.55 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.86 3huw n THR 73 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3huw n LYS 74 N -2.62 0.32 -0.57 -0.78 0.00 -1.26 -4.58 118.16 108.67 3huw n LYS 74 Ca 0.00 0.08 -0.40 0.00 -0.00 0.00 0.00 58.31 57.99 3huw n LYS 74 Cb 0.19 -1.83 -0.11 0.00 -0.00 0.00 0.00 35.03 33.28 3huw n LYS 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3huw n LYS 75 N 7.92 0.00 0.00 -1.58 0.00 -1.26 -0.36 118.16 122.88 3huw n LYS 75 Ca 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 58.31 57.93 3huw n LYS 75 Cb 0.07 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 32.73 3huw n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3huw n GLN 76 N 7.53 0.00 -0.97 1.64 6.02 -1.26 -4.84 117.38 125.50 3huw n GLN 76 Ca 0.42 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.46 3huw n GLN 76 Cb 0.40 -0.02 0.11 0.00 1.02 0.00 0.00 30.24 31.75 3huw n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3huw n ALA 77 N -0.63 2.95 -0.09 -1.58 0.00 0.51 -4.48 120.51 117.21 3huw n ALA 77 Ca 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 53.44 50.59 3huw n ALA 77 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3huw n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3huw n GLN 78 N -0.37 0.50 0.09 0.00 7.27 -1.16 -4.27 117.38 119.44 3huw n GLN 78 Ca 0.12 0.44 -0.13 0.00 0.07 0.00 0.00 57.00 57.50 3huw n GLN 78 Cb 0.89 -1.62 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 3huw n GLN 78 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3huw h ASP 79 N -1.00 -1.01 -0.33 1.69 3.32 -1.90 -0.45 116.42 116.73 3huw h ASP 79 Ca -0.11 0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.16 3huw h ASP 79 Cb 0.83 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3huw h ASP 79 CO -0.06 -0.42 0.57 -0.29 -1.72 0.00 0.00 179.24 177.32 3huw h ILE 80 N -0.54 0.17 0.00 0.35 2.10 -1.90 -1.98 117.51 115.71 3huw h ILE 80 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.98 3huw h ILE 80 Cb 0.59 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3huw h ILE 80 CO -0.24 0.00 0.00 0.52 -1.08 0.00 0.00 178.15 177.35 3huw n VAL 81 N -3.28 0.00 -0.21 2.19 0.31 -0.18 -1.92 118.33 115.23 3huw n VAL 81 Ca 0.06 1.17 -0.03 0.00 -0.01 0.00 0.00 64.34 65.52 3huw n VAL 81 Cb 0.71 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 3huw n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3huw n ARG 82 N -1.12 -0.18 0.00 5.55 0.63 -0.75 0.11 116.66 120.90 3huw n ARG 82 Ca 0.00 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 3huw n ARG 82 Cb 0.00 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3huw n ARG 82 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3huw n MET 83 N -4.72 0.00 0.28 -0.14 2.81 -1.21 -1.36 117.12 112.78 3huw n MET 83 Ca 0.03 0.40 0.18 0.00 -1.81 0.00 0.00 57.70 56.50 3huw n MET 83 Cb 0.17 -1.39 0.95 0.00 -0.71 0.00 0.00 33.22 32.25 3huw n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3huw h GLU 84 N 0.00 0.00 0.00 0.03 4.39 -0.96 0.38 114.58 118.43 3huw h GLU 84 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3huw h GLU 84 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3huw h GLU 84 CO 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.70 3huw h ALA 85 N 1.79 0.95 0.00 3.43 0.00 0.95 -3.27 119.26 123.11 3huw h ALA 85 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3huw h ALA 85 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3huw h ALA 85 CO -0.00 0.19 -0.78 0.39 0.00 0.00 0.00 179.25 179.05 3huw n GLU 86 N -3.21 2.55 0.00 0.00 1.02 0.12 -1.43 120.64 119.68 3huw n GLU 86 Ca 0.02 -0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 3huw n GLU 86 Cb 0.48 -1.09 0.03 0.00 -0.02 0.00 0.00 31.44 30.84 3huw n GLU 86 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3huw n ARG 87 N -1.43 0.02 0.00 3.49 0.63 -0.19 -2.12 116.66 117.06 3huw n ARG 87 Ca 0.01 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 3huw n ARG 87 Cb 0.21 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3huw n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huw n ALA 88 N -1.22 0.91 -1.09 5.13 0.00 -1.26 -4.97 120.51 118.00 3huw n ALA 88 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3huw n ALA 88 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3huw n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 89 N 0.85 1.11 3.76 0.00 0.00 -0.90 -5.07 105.19 104.95 3huw n GLY 89 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3huw n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3huw s MET 90 N -2.52 4.18 -0.01 1.61 -1.94 -0.52 -4.95 119.30 115.14 3huw s MET 90 Ca 0.00 0.38 -0.38 0.00 -1.71 0.00 0.00 55.69 53.98 3huw s MET 90 Cb 0.00 -3.36 -0.17 0.00 2.01 0.00 0.00 34.83 33.32 3huw s MET 90 CO 0.00 0.37 1.44 -2.30 -0.01 0.00 0.00 175.02 174.52 3huw n PRO 91 N 2.98 1.12 -4.50 2.03 -0.02 -1.17 -4.65 135.00 130.79 3huw n PRO 91 Ca -0.10 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 3huw n PRO 91 Cb 0.52 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3huw n PRO 91 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3huw s TYR 92 N 1.26 1.78 -0.17 6.00 -0.85 0.83 0.30 117.35 126.50 3huw s TYR 92 Ca 0.88 -1.36 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 3huw s TYR 92 Cb -0.99 -1.10 0.06 0.00 0.38 0.00 0.00 41.96 40.30 3huw s TYR 92 CO 0.52 -0.39 0.43 0.14 -1.52 0.00 0.00 175.55 174.72 3huw s VAL 93 N -3.22 -0.02 0.00 -3.49 -7.23 -1.07 -2.98 120.40 102.40 3huw s VAL 93 Ca 0.25 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 3huw s VAL 93 Cb 0.02 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.33 3huw s VAL 93 CO 0.16 0.03 0.00 0.59 -0.31 0.00 0.00 175.10 175.57 3huw n ASN 94 N 3.98 4.17 0.00 4.85 3.02 -1.26 -3.02 115.26 127.00 3huw n ASN 94 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3huw n ASN 94 Cb 0.56 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 3huw n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3huw n GLN 95 N -1.55 0.00 -3.87 3.52 1.13 -1.26 -4.51 117.38 110.83 3huw n GLN 95 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3huw n GLN 95 Cb 0.25 -0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.43 3huw n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3huw s ARG 96 N 0.00 1.34 -0.64 -1.09 3.00 -1.26 -4.85 118.95 115.45 3huw s ARG 96 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 55.73 54.83 3huw s ARG 96 Cb 0.00 -2.22 -0.25 0.00 0.00 0.00 0.00 34.95 32.48 3huw s ARG 96 CO 0.00 -0.53 1.81 1.87 0.00 0.00 0.00 175.30 178.45 3huw n TRP 97 N 4.84 0.53 -1.43 -0.53 -0.00 -1.26 -4.85 117.44 114.74 3huw n TRP 97 Ca -0.11 -0.24 -0.46 0.00 -0.00 0.00 0.00 57.50 56.69 3huw n TRP 97 Cb 0.46 -1.81 -0.02 0.00 -0.00 0.00 0.00 31.31 29.94 3huw n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3huw n LEU 98 N 14.94 -0.68 -4.76 5.87 4.77 -1.26 -4.87 117.00 131.01 3huw n LEU 98 Ca 0.38 1.09 -0.41 0.00 -0.03 0.00 0.00 56.01 57.04 3huw n LEU 98 Cb 0.45 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 3huw n LEU 98 CO 0.75 -2.77 0.93 -0.83 -1.33 0.00 0.00 177.39 174.13 3huw s GLY 99 N -0.91 2.90 0.00 -0.72 0.00 -1.26 -3.14 107.32 104.19 3huw s GLY 99 Ca 0.62 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.47 3huw s GLY 99 CO 0.58 1.83 0.00 0.61 0.00 0.00 0.00 173.10 176.12 3huw n GLY 100 N 1.26 0.49 0.26 0.20 0.00 -1.26 -4.89 105.19 101.25 3huw n GLY 100 Ca 0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3huw n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3huw h MET 101 N 0.75 -0.59 0.18 1.61 0.00 -1.84 0.50 114.93 115.53 3huw h MET 101 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 59.70 59.43 3huw h MET 101 Cb 0.00 0.14 0.03 0.00 0.00 0.00 0.00 31.60 31.77 3huw h MET 101 CO 0.00 -0.40 -1.33 -0.07 0.00 0.00 0.00 176.91 175.12 3huw h LEU 102 N -0.62 0.86 0.05 1.22 4.07 -1.93 -1.50 115.31 117.45 3huw h LEU 102 Ca -0.06 -0.87 -0.00 0.00 0.08 0.00 0.00 57.88 57.04 3huw h LEU 102 Cb 0.49 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 3huw h LEU 102 CO 0.06 1.65 -0.06 0.74 -1.08 0.00 0.00 178.44 179.75 3huw h THR 103 N 0.20 0.00 -1.39 0.22 2.02 -1.83 -3.14 112.91 108.99 3huw h THR 103 Ca -0.22 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.29 3huw h THR 103 Cb 2.01 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 68.10 3huw h THR 103 CO 0.25 0.00 0.40 -3.20 0.37 0.00 0.00 175.52 173.34 3huw n ASN 104 N -2.69 6.70 -0.05 4.18 5.15 0.17 -4.85 115.26 123.86 3huw n ASN 104 Ca -0.01 -3.79 -0.02 0.00 -0.60 0.00 0.00 54.58 50.16 3huw n ASN 104 Cb 0.05 -0.82 -0.01 0.00 -0.53 0.00 0.00 39.78 38.47 3huw n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3huw h PHE 105 N 2.47 -0.25 -0.36 1.20 3.57 -0.24 -1.41 116.94 121.91 3huw h PHE 105 Ca 0.50 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.07 3huw h PHE 105 Cb 0.68 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3huw h PHE 105 CO 1.15 -0.05 -0.17 1.17 -2.23 0.00 0.00 178.31 178.18 3huw n LYS 106 N -3.26 -0.11 0.14 1.11 4.81 -1.26 0.12 118.16 119.70 3huw n LYS 106 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3huw n LYS 106 Cb 0.04 -0.81 0.29 0.00 0.02 0.00 0.00 35.03 34.56 3huw n LYS 106 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3huw h THR 107 N 0.00 1.29 0.05 3.15 2.02 -1.63 -2.78 112.91 115.01 3huw h THR 107 Ca 0.10 -1.41 -0.24 0.00 0.77 0.00 0.00 66.41 65.63 3huw h THR 107 Cb 0.19 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3huw h THR 107 CO -0.35 0.41 -1.05 0.40 0.37 0.00 0.00 175.52 175.30 3huw h ILE 108 N 0.10 1.45 -1.00 3.11 1.08 0.14 -3.27 117.51 119.12 3huw h ILE 108 Ca 0.01 -2.70 0.27 0.00 -0.39 0.00 0.00 64.86 62.05 3huw h ILE 108 Cb 0.74 2.63 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 3huw h ILE 108 CO 0.06 0.80 0.68 0.28 -0.69 0.00 0.00 178.15 179.27 3huw h SER 109 N 0.16 0.24 0.04 1.72 0.02 -0.16 0.36 113.55 115.93 3huw h SER 109 Ca -0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3huw h SER 109 Cb 1.72 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.26 3huw h SER 109 CO 0.18 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 3huw n GLN 110 N -4.42 0.36 0.02 3.45 6.02 -1.21 -1.75 117.38 119.85 3huw n GLN 110 Ca 0.22 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 57.02 3huw n GLN 110 Cb 0.93 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.55 3huw n GLN 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3huw h ARG 111 N 0.00 0.28 0.28 -1.09 2.47 -0.49 -2.89 114.38 112.93 3huw h ARG 111 Ca 0.00 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 3huw h ARG 111 Cb 0.02 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3huw h ARG 111 CO 0.00 1.23 -0.13 0.28 0.56 0.00 0.00 179.97 181.91 3huw h VAL 112 N -0.13 0.68 -0.82 2.04 2.07 -1.47 -1.19 116.25 117.44 3huw h VAL 112 Ca -0.35 -0.77 0.21 0.00 0.82 0.00 0.00 66.70 66.61 3huw h VAL 112 Cb 1.90 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3huw h VAL 112 CO 0.09 0.14 0.57 -0.74 0.02 0.00 0.00 177.57 177.64 3huw h HIS 113 N -0.83 0.24 0.00 1.57 -0.00 -1.54 1.07 115.15 115.65 3huw h HIS 113 Ca -0.04 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.21 3huw h HIS 113 Cb 0.51 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 3huw h HIS 113 CO 0.04 0.07 -0.59 -0.09 -0.00 0.00 0.00 177.93 177.36 3huw h ARG 114 N 0.18 0.00 0.28 5.26 9.65 -1.30 -3.23 114.38 125.23 3huw h ARG 114 Ca 0.40 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.27 3huw h ARG 114 Cb 1.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3huw h ARG 114 CO -0.08 0.59 -0.14 1.25 2.80 0.00 0.00 179.97 184.40 3huw h LEU 115 N 0.00 -0.32 -1.68 3.80 5.85 0.24 -3.05 115.31 120.15 3huw h LEU 115 Ca -0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3huw h LEU 115 Cb 1.09 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3huw h LEU 115 CO 0.08 0.02 0.00 -1.84 -0.34 0.00 0.00 178.44 176.36 3huw n GLU 116 N -5.12 0.53 0.00 1.25 0.28 -0.67 -0.57 120.64 116.33 3huw n GLU 116 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3huw n GLU 116 Cb 0.25 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.88 3huw n GLU 116 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3huw n GLU 117 N 0.58 1.77 0.00 3.44 1.02 -1.16 -4.05 120.64 122.23 3huw n GLU 117 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3huw n GLU 117 Cb 0.22 -0.85 -0.08 0.00 -0.02 0.00 0.00 31.44 30.71 3huw n GLU 117 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3huw n LEU 118 N -1.07 0.86 0.01 -4.62 4.77 0.26 -2.18 117.00 115.03 3huw n LEU 118 Ca 0.00 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.23 3huw n LEU 118 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3huw n LEU 118 CO 0.00 0.20 -0.78 -0.08 -1.33 0.00 0.00 177.39 175.41 3huw h GLU 119 N 0.23 0.27 0.03 3.23 4.57 -1.27 -2.90 114.58 118.75 3huw h GLU 119 Ca 0.00 -0.47 -0.18 0.00 -1.18 0.00 0.00 59.36 57.53 3huw h GLU 119 Cb 0.40 0.17 0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3huw h GLU 119 CO 0.00 1.22 -0.72 0.00 -1.18 0.00 0.00 179.01 178.34 3huw h ALA 120 N 0.06 0.04 0.00 2.92 0.00 -1.70 -1.98 119.26 118.60 3huw h ALA 120 Ca -0.42 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 3huw h ALA 120 Cb 2.02 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 3huw h ALA 120 CO 0.09 0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.91 3huw h LEU 121 N -0.09 0.00 0.00 0.00 6.46 -1.61 -3.32 115.31 116.74 3huw h LEU 121 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3huw h LEU 121 Cb 1.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 3huw h LEU 121 CO 0.14 0.08 0.00 0.33 -0.62 0.00 0.00 178.44 178.37 3huw n PHE 122 N -3.29 0.00 -1.05 1.25 7.35 -1.09 -4.23 117.46 116.39 3huw n PHE 122 Ca -0.01 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.32 3huw n PHE 122 Cb 0.29 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.81 3huw n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3huw n ALA 123 N -1.32 3.99 0.00 3.13 0.00 -0.75 -4.66 120.51 120.90 3huw n ALA 123 Ca 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.52 3huw n ALA 123 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.04 3huw n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3huw n SER 124 N 6.24 0.00 -1.00 0.00 2.88 -1.26 -4.92 113.62 115.56 3huw n SER 124 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 3huw n SER 124 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3huw n SER 124 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3huw n PRO 125 N -0.15 0.66 0.09 -1.46 -0.04 -1.26 -3.76 135.00 129.08 3huw n PRO 125 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 3huw n PRO 125 Cb 0.00 -1.17 0.46 0.00 -0.04 0.00 0.00 33.50 32.75 3huw n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3huw n GLU 126 N 0.67 0.18 0.00 0.54 1.02 -1.26 -2.31 120.64 119.48 3huw n GLU 126 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3huw n GLU 126 Cb 0.33 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3huw n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3huw n ILE 127 N -2.07 0.00 0.00 -3.67 2.08 -1.25 -4.47 119.36 109.98 3huw n ILE 127 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 3huw n ILE 127 Cb 0.34 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 3huw n ILE 127 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3huw n GLU 128 N -0.34 0.00 0.00 0.38 4.07 -0.98 -4.32 120.64 119.45 3huw n GLU 128 Ca 0.00 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 3huw n GLU 128 Cb 0.07 -0.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 3huw n GLU 128 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3huw n GLU 129 N -0.36 0.00 -2.58 5.31 -0.58 -1.26 -4.98 120.64 116.19 3huw n GLU 129 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 3huw n GLU 129 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 3huw n GLU 129 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3huw n ARG 130 N 0.00 -4.43 -0.96 3.49 5.12 -1.26 -4.82 116.66 113.80 3huw n ARG 130 Ca 0.00 3.32 -0.35 0.00 -1.93 0.00 0.00 57.85 58.89 3huw n ARG 130 Cb 0.00 -4.62 0.09 0.00 -1.16 0.00 0.00 32.46 26.77 3huw n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3huw n PRO 131 N 1.83 -0.08 0.14 5.56 -0.04 -1.26 -4.78 135.00 136.36 3huw n PRO 131 Ca -0.31 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.29 3huw n PRO 131 Cb 0.48 -1.61 0.47 0.00 -0.04 0.00 0.00 33.50 32.81 3huw n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3huw h LYS 132 N -1.11 0.00 0.00 0.54 3.64 -2.00 -2.76 116.57 114.89 3huw h LYS 132 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3huw h LYS 132 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3huw h LYS 132 CO 0.34 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.15 3huw n LYS 133 N -2.35 0.00 0.00 1.90 4.76 -1.26 -3.96 118.16 117.25 3huw n LYS 133 Ca 0.03 0.24 0.01 0.00 -2.87 0.00 0.00 58.31 55.72 3huw n LYS 133 Cb 0.30 -0.76 0.06 0.00 -1.84 0.00 0.00 35.03 32.80 3huw n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3huw n GLU 134 N -1.21 0.11 0.05 1.97 -0.58 -1.26 -1.45 120.64 118.27 3huw n GLU 134 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 3huw n GLU 134 Cb 0.00 -1.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 3huw n GLU 134 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3huw h GLN 135 N 0.00 -0.22 0.00 3.49 4.15 -1.61 -3.12 115.11 117.80 3huw h GLN 135 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3huw h GLN 135 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3huw h GLN 135 CO 0.00 0.04 0.00 0.28 -1.93 0.00 0.00 178.83 177.22 3huw h VAL 136 N -1.01 0.00 0.15 2.39 2.07 -1.38 -2.91 116.25 115.56 3huw h VAL 136 Ca -0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3huw h VAL 136 Cb 0.36 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3huw h VAL 136 CO 0.04 0.00 -0.07 -0.09 0.02 0.00 0.00 177.57 177.47 3huw h ARG 137 N 0.00 -0.19 -0.34 1.57 1.12 -1.55 0.85 114.38 115.83 3huw h ARG 137 Ca 0.00 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.98 3huw h ARG 137 Cb 0.22 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 3huw h ARG 137 CO 0.00 -0.13 0.35 -0.07 -3.11 0.00 0.00 179.97 177.01 3huw h LEU 138 N -0.25 0.00 0.01 3.80 3.38 -1.51 1.84 115.31 122.57 3huw h LEU 138 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3huw h LEU 138 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3huw h LEU 138 CO 0.03 0.00 -0.00 0.11 0.09 0.00 0.00 178.44 178.67 3huw h LYS 139 N 0.00 -0.01 0.00 1.13 1.79 -1.45 -1.82 116.57 116.21 3huw h LYS 139 Ca 0.16 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 3huw h LYS 139 Cb 0.86 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3huw h LYS 139 CO -0.00 0.82 -0.18 1.25 -1.08 0.00 0.00 179.45 180.26 3huw h HIS 140 N -0.89 0.00 0.00 -1.35 2.76 0.27 -2.32 115.15 113.62 3huw h HIS 140 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3huw h HIS 140 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 3huw h HIS 140 CO 0.22 0.18 0.00 -1.91 -1.30 0.00 0.00 177.93 175.12 3huw n GLU 141 N -3.87 0.00 0.00 5.26 2.13 0.61 -3.24 120.64 121.53 3huw n GLU 141 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3huw n GLU 141 Cb 0.28 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.34 3huw n GLU 141 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3huw n LEU 142 N -0.21 0.00 0.00 4.31 7.94 -0.69 0.18 117.00 128.53 3huw n LEU 142 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3huw n LEU 142 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3huw n LEU 142 CO 0.00 0.00 0.23 -0.62 -1.11 0.00 0.00 177.39 175.89 3huw n GLU 143 N -3.81 0.00 -0.18 1.96 -0.58 -0.88 0.25 120.64 117.41 3huw n GLU 143 Ca 0.00 0.47 -0.08 0.00 -0.42 0.00 0.00 57.16 57.13 3huw n GLU 143 Cb 0.00 -0.70 0.01 0.00 -0.57 0.00 0.00 31.44 30.18 3huw n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3huw h ARG 144 N 0.00 0.78 -0.67 3.49 0.11 -0.36 0.50 114.38 118.23 3huw h ARG 144 Ca 0.00 -0.15 0.13 0.00 0.10 0.00 0.00 59.98 60.06 3huw h ARG 144 Cb 0.00 -0.12 -0.13 0.00 1.11 0.00 0.00 29.97 30.83 3huw h ARG 144 CO 0.00 0.70 -0.21 -0.07 0.10 0.00 0.00 179.97 180.49 3huw h LEU 145 N 0.69 -0.75 0.00 0.08 -0.00 0.42 -0.26 115.31 115.50 3huw h LEU 145 Ca 0.17 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 3huw h LEU 145 Cb 0.22 0.46 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 3huw h LEU 145 CO -0.01 -0.24 0.00 1.67 -0.00 0.00 0.00 178.44 179.85 3huw n GLN 146 N -5.46 0.00 -0.18 1.13 7.27 0.71 -1.97 117.38 118.88 3huw n GLN 146 Ca 0.08 0.47 0.05 0.00 0.07 0.00 0.00 57.00 57.67 3huw n GLN 146 Cb 0.36 -1.44 0.10 0.00 2.41 0.00 0.00 30.24 31.66 3huw n GLN 146 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3huw n LYS 147 N -1.92 -0.05 0.09 3.69 4.81 0.17 0.23 118.16 125.18 3huw n LYS 147 Ca 0.00 0.80 0.06 0.00 -0.87 0.00 0.00 58.31 58.30 3huw n LYS 147 Cb 0.00 -1.22 -0.02 0.00 0.02 0.00 0.00 35.03 33.81 3huw n LYS 147 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3huw h TYR 148 N 0.00 0.00 -0.09 5.64 0.05 -1.15 -3.39 116.97 118.02 3huw h TYR 148 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3huw h TYR 148 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3huw h TYR 148 CO -0.36 0.26 0.00 1.28 -1.05 0.00 0.00 178.16 178.29 3huw n LEU 149 N -2.83 2.81 0.00 3.88 4.77 0.14 -4.77 117.00 120.99 3huw n LEU 149 Ca -0.03 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3huw n LEU 149 Cb 0.67 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3huw n LEU 149 CO 0.41 0.51 0.01 -1.20 -1.33 0.00 0.00 177.39 175.79 3huw n SER 150 N 1.17 0.00 -0.34 -1.43 7.64 -0.43 0.31 113.62 120.54 3huw n SER 150 Ca 0.13 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3huw n SER 150 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3huw n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3huw n GLY 151 N -0.05 0.24 0.13 0.23 0.00 -1.25 -2.78 105.19 101.72 3huw n GLY 151 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3huw n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3huw n PHE 152 N 0.06 0.53 -0.31 1.61 -0.00 0.15 0.29 117.46 119.78 3huw n PHE 152 Ca 0.00 0.14 0.30 0.00 -0.00 0.00 0.00 57.45 57.89 3huw n PHE 152 Cb 0.06 -1.07 0.56 0.00 -0.00 0.00 0.00 39.48 39.03 3huw n PHE 152 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3huw n ARG 153 N -3.62 -0.06 0.00 -4.13 1.74 -1.01 -3.47 116.66 106.11 3huw n ARG 153 Ca -0.41 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3huw n ARG 153 Cb 0.96 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3huw n ARG 153 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3huw n LEU 154 N -5.22 0.00 -2.66 0.55 4.77 -1.26 -4.57 117.00 108.61 3huw n LEU 154 Ca 0.36 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 3huw n LEU 154 Cb 1.23 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.25 3huw n LEU 154 CO 0.00 0.00 0.93 -0.11 -1.33 0.00 0.00 177.39 176.89 3huw n LEU 155 N 0.00 0.54 -0.24 2.23 -0.00 -1.23 -4.79 117.00 113.52 3huw n LEU 155 Ca 0.00 0.51 0.07 0.00 -0.00 0.00 0.00 56.01 56.59 3huw n LEU 155 Cb 0.00 -0.54 0.12 0.00 -0.00 0.00 0.00 43.42 43.00 3huw n LEU 155 CO 0.00 -0.48 0.58 0.29 -0.00 0.00 0.00 177.39 177.78 3huw n LYS 156 N 3.85 2.16 0.00 1.96 5.02 -1.26 -5.00 118.16 124.89 3huw n LYS 156 Ca 0.29 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.29 3huw n LYS 156 Cb -0.03 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3huw n LYS 156 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3huw n ARG 157 N -0.86 0.00 -3.88 1.97 0.63 -1.26 -5.14 116.66 108.13 3huw n ARG 157 Ca 0.12 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.69 3huw n ARG 157 Cb 0.56 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.35 3huw n ARG 157 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3huw s LEU 158 N 0.00 3.57 0.76 6.15 1.02 -1.26 -5.07 118.68 123.85 3huw s LEU 158 Ca 0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 54.13 53.88 3huw s LEU 158 Cb 0.00 -1.94 -0.09 0.00 0.02 0.00 0.00 46.19 44.18 3huw s LEU 158 CO 0.00 0.04 -0.01 -2.65 0.02 0.00 0.00 176.35 173.76 3huw n PRO 159 N 4.41 0.09 0.00 1.29 -0.02 -1.26 -4.88 135.00 134.62 3huw n PRO 159 Ca -0.16 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.49 3huw n PRO 159 Cb 0.52 -1.40 0.17 0.00 -0.02 0.00 0.00 33.50 32.77 3huw n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3huw n ASP 160 N 1.33 1.24 -3.65 2.55 10.43 -0.21 -4.95 116.55 123.29 3huw n ASP 160 Ca 0.06 -0.99 0.00 0.00 2.57 0.00 0.00 54.79 56.43 3huw n ASP 160 Cb 0.51 0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.86 3huw n ASP 160 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3huw s ALA 161 N -2.65 -2.11 -0.01 2.24 0.00 -1.24 -4.30 121.76 113.69 3huw s ALA 161 Ca 0.18 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 3huw s ALA 161 Cb 0.18 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3huw s ALA 161 CO 0.62 -1.07 0.06 0.96 0.00 0.00 0.00 175.76 176.32 3huw s ILE 162 N -2.45 0.03 -0.30 0.00 -4.36 -1.04 -3.51 121.20 109.56 3huw s ILE 162 Ca 0.18 -0.23 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 3huw s ILE 162 Cb 0.02 -0.16 0.05 0.00 1.25 0.00 0.00 42.46 43.61 3huw s ILE 162 CO -0.01 -0.13 0.00 0.12 0.24 0.00 0.00 174.94 175.17 3huw s PHE 163 N -0.37 3.24 -0.06 1.37 5.99 -0.93 0.06 117.98 127.28 3huw s PHE 163 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 56.93 55.11 3huw s PHE 163 Cb -0.03 -2.12 -0.03 0.00 0.00 0.00 0.00 43.02 40.84 3huw s PHE 163 CO 0.00 -0.78 -0.04 0.08 -0.00 0.00 0.00 175.22 174.47 3huw s VAL 164 N 1.28 3.89 -0.07 3.12 1.01 -0.39 0.03 120.40 129.27 3huw s VAL 164 Ca -0.04 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 3huw s VAL 164 Cb -0.19 -2.63 -0.20 0.00 0.00 0.00 0.00 36.38 33.36 3huw s VAL 164 CO -0.01 0.56 0.97 -0.37 0.00 0.00 0.00 175.10 176.25 3huw h VAL 165 N 4.11 1.32 -3.27 2.92 -1.51 -1.75 0.56 116.25 118.63 3huw h VAL 165 Ca -0.49 -1.49 -0.53 0.00 -1.23 0.00 0.00 66.70 62.96 3huw h VAL 165 Cb 1.18 2.26 -0.38 0.00 -2.13 0.00 0.00 31.29 32.22 3huw h VAL 165 CO 0.53 0.36 -0.79 -0.62 -1.23 0.00 0.00 177.57 175.82 3huw s ASP 166 N -5.78 2.49 0.55 4.19 3.68 -1.26 -3.85 116.67 116.70 3huw s ASP 166 Ca -0.15 -0.50 0.25 0.00 2.13 0.00 0.00 52.55 54.28 3huw s ASP 166 Cb -0.00 -0.80 1.45 0.00 -1.45 0.00 0.00 42.92 42.12 3huw s ASP 166 CO 0.60 -0.18 2.03 1.55 0.13 0.00 0.00 175.17 179.30 3huw h PRO 167 N 8.17 0.00 0.00 4.34 0.13 -1.86 -2.49 132.00 140.30 3huw h PRO 167 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3huw h PRO 167 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3huw h PRO 167 CO 0.38 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.40 3huw n THR 168 N -4.20 0.00 -0.18 1.56 -2.24 -1.26 -1.34 114.28 106.62 3huw n THR 168 Ca 0.06 0.71 0.29 0.00 -2.27 0.00 0.00 64.05 62.84 3huw n THR 168 Cb 0.49 -1.66 0.64 0.00 -2.10 0.00 0.00 70.33 67.70 3huw n THR 168 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3huw h LYS 169 N 0.00 0.00 -0.02 -0.78 1.57 -1.96 0.30 116.57 115.69 3huw h LYS 169 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3huw h LYS 169 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3huw h LYS 169 CO 0.00 0.00 -0.40 0.39 -0.57 0.00 0.00 179.45 178.87 3huw n GLU 170 N -3.63 1.56 0.00 3.15 4.71 -0.94 -4.71 120.64 120.78 3huw n GLU 170 Ca 0.20 -3.19 0.06 0.00 -0.01 0.00 0.00 57.16 54.22 3huw n GLU 170 Cb 1.22 -1.61 0.33 0.00 -1.01 0.00 0.00 31.44 30.37 3huw n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3huw n ALA 171 N -1.17 1.90 0.10 0.62 0.00 0.11 -1.99 120.51 120.08 3huw n ALA 171 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 3huw n ALA 171 Cb 0.70 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 3huw n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3huw h ILE 172 N 0.00 0.53 0.22 0.00 5.03 -1.84 -2.70 117.51 118.75 3huw h ILE 172 Ca 0.00 -0.91 -0.01 0.00 -0.12 0.00 0.00 64.86 63.82 3huw h ILE 172 Cb 0.01 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 3huw h ILE 172 CO 0.00 0.13 -0.11 0.00 -0.68 0.00 0.00 178.15 177.50 3huw h ALA 173 N -0.60 -0.30 -1.24 1.87 0.00 -1.77 0.15 119.26 117.37 3huw h ALA 173 Ca -0.03 -0.16 0.42 0.00 0.00 0.00 0.00 54.91 55.14 3huw h ALA 173 Cb 0.48 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 3huw h ALA 173 CO 0.06 -0.54 0.78 0.28 0.00 0.00 0.00 179.25 179.83 3huw h VAL 174 N -0.56 0.11 0.01 0.00 2.07 -1.56 3.32 116.25 119.64 3huw h VAL 174 Ca -0.03 -0.03 -0.28 0.00 0.82 0.00 0.00 66.70 67.18 3huw h VAL 174 Cb 0.41 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3huw h VAL 174 CO 0.05 0.02 -1.54 -0.09 0.02 0.00 0.00 177.57 176.02 3huw h ARG 175 N 0.09 0.03 -0.22 1.57 1.12 -1.26 -2.41 114.38 113.30 3huw h ARG 175 Ca 0.82 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 59.47 3huw h ARG 175 Cb 2.45 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 32.43 3huw h ARG 175 CO -0.50 0.69 -0.57 0.93 -3.11 0.00 0.00 179.97 177.41 3huw h GLU 176 N 0.01 0.69 -0.07 0.20 5.08 0.63 -2.12 114.58 119.00 3huw h GLU 176 Ca -0.22 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.63 3huw h GLU 176 Cb 1.96 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.27 3huw h GLU 176 CO 0.10 1.07 -0.20 0.00 -1.00 0.00 0.00 179.01 178.98 3huw h ALA 177 N 0.84 0.11 -0.12 3.43 0.00 0.50 -3.06 119.26 120.96 3huw h ALA 177 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3huw h ALA 177 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3huw h ALA 177 CO 0.11 0.07 0.10 -0.09 0.00 0.00 0.00 179.25 179.44 3huw h ARG 178 N -0.26 0.00 0.00 0.00 9.65 -1.45 0.33 114.38 122.65 3huw h ARG 178 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3huw h ARG 178 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 3huw h ARG 178 CO 0.04 0.00 0.00 1.17 2.80 0.00 0.00 179.97 183.98 3huw n LYS 179 N -4.19 0.02 -0.42 0.20 4.81 -0.80 -2.68 118.16 115.10 3huw n LYS 179 Ca -0.00 0.21 0.06 0.00 -0.87 0.00 0.00 58.31 57.71 3huw n LYS 179 Cb 0.22 -1.54 0.12 0.00 0.02 0.00 0.00 35.03 33.85 3huw n LYS 179 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3huw n LEU 180 N -1.58 1.82 -2.52 3.14 4.77 0.11 -4.99 117.00 117.76 3huw n LEU 180 Ca 0.04 -2.75 -0.12 0.00 -0.03 0.00 0.00 56.01 53.16 3huw n LEU 180 Cb 0.22 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3huw n LEU 180 CO 0.17 0.76 -0.13 0.49 -1.33 0.00 0.00 177.39 177.35 3huw n PHE 181 N -0.88 -1.52 -3.09 -1.77 3.72 -0.98 -4.89 117.46 108.05 3huw n PHE 181 Ca 0.12 0.04 -0.44 0.00 -0.05 0.00 0.00 57.45 57.12 3huw n PHE 181 Cb 0.71 -2.56 -0.05 0.00 -0.94 0.00 0.00 39.48 36.64 3huw n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3huw s ILE 182 N -2.57 4.77 -0.06 4.37 1.01 -0.88 -5.00 121.20 122.84 3huw s ILE 182 Ca 0.03 -0.85 -0.34 0.00 0.00 0.00 0.00 60.65 59.50 3huw s ILE 182 Cb -0.02 -4.49 -0.17 0.00 0.01 0.00 0.00 42.46 37.80 3huw s ILE 182 CO 0.04 -1.12 0.95 -2.65 0.00 0.00 0.00 174.94 172.16 3huw n PRO 183 N 6.48 0.00 -3.54 2.79 -0.02 -1.26 -4.41 135.00 135.04 3huw n PRO 183 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 3huw n PRO 183 Cb 0.43 -1.24 -0.10 0.00 -0.02 0.00 0.00 33.50 32.57 3huw n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3huw s VAL 184 N 0.36 5.28 -0.27 -1.45 1.01 -1.26 -2.51 120.40 121.55 3huw s VAL 184 Ca 0.77 0.30 0.01 0.00 0.00 0.00 0.00 61.98 63.07 3huw s VAL 184 Cb -1.08 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 31.77 3huw s VAL 184 CO 0.50 0.24 -0.07 -0.63 0.00 0.00 0.00 175.10 175.15 3huw s ILE 185 N 1.69 2.50 -0.05 2.22 1.01 0.11 -0.45 121.20 128.23 3huw s ILE 185 Ca 0.10 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.14 3huw s ILE 185 Cb -0.15 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.89 3huw s ILE 185 CO 0.09 -0.04 0.23 0.00 0.00 0.00 0.00 174.94 175.22 3huw s ALA 186 N 1.17 -0.56 -0.48 9.38 0.00 -1.00 -1.26 121.76 129.02 3huw s ALA 186 Ca -0.07 0.38 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 3huw s ALA 186 Cb -0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3huw s ALA 186 CO -0.04 -0.17 2.07 -1.17 0.00 0.00 0.00 175.76 176.46 3huw s LEU 187 N -0.60 3.39 0.10 0.00 1.98 0.20 -1.85 118.68 121.89 3huw s LEU 187 Ca -0.07 0.94 0.05 0.00 -2.89 0.00 0.00 54.13 52.16 3huw s LEU 187 Cb -0.04 -2.81 -0.04 0.00 0.66 0.00 0.00 46.19 43.96 3huw s LEU 187 CO 0.01 -2.38 -0.01 0.00 -1.89 0.00 0.00 176.35 172.08 3huw s ALA 188 N 9.66 3.25 0.00 5.97 0.00 -0.04 -3.99 121.76 136.61 3huw s ALA 188 Ca 0.83 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3huw s ALA 188 Cb -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3huw s ALA 188 CO 0.26 0.67 0.00 -0.40 0.00 0.00 0.00 175.76 176.30 3huw n ASP 189 N 0.50 0.00 -0.79 0.00 5.75 -1.22 0.30 116.55 121.10 3huw n ASP 189 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 3huw n ASP 189 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3huw n ASP 189 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3huw n THR 190 N 0.00 0.34 -0.09 2.12 -2.24 -1.26 -2.54 114.28 110.61 3huw n THR 190 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3huw n THR 190 Cb 0.00 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 67.55 3huw n THR 190 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3huw n ASP 191 N 0.50 1.96 0.00 3.42 4.64 -1.26 -3.40 116.55 122.41 3huw n ASP 191 Ca 0.00 -0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.35 3huw n ASP 191 Cb 0.23 0.19 0.00 0.00 -1.04 0.00 0.00 41.12 40.50 3huw n ASP 191 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3huw n SER 192 N -2.86 0.62 -4.36 1.67 7.64 -1.05 -4.67 113.62 110.61 3huw n SER 192 Ca -0.30 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.29 3huw n SER 192 Cb 0.92 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.99 3huw n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3huw s ASP 193 N 1.00 3.17 0.00 6.43 3.84 -1.26 -4.28 116.67 125.58 3huw s ASP 193 Ca 0.00 -0.69 -0.03 0.00 -0.00 0.00 0.00 52.55 51.83 3huw s ASP 193 Cb 0.00 -0.23 -0.01 0.00 -1.38 0.00 0.00 42.92 41.30 3huw s ASP 193 CO 0.00 0.19 0.74 1.55 -0.00 0.00 0.00 175.17 177.65 3huw h PRO 194 N 4.17 -0.09 0.00 2.11 0.13 -1.92 -3.40 132.00 133.00 3huw h PRO 194 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3huw h PRO 194 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3huw h PRO 194 CO 0.40 -0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 177.86 3huw n ASP 195 N -2.33 0.00 -1.63 1.44 9.92 -1.26 0.34 116.55 123.04 3huw n ASP 195 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3huw n ASP 195 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3huw n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3huw n LEU 196 N 0.00 3.49 -3.51 0.64 -0.00 -1.26 -4.48 117.00 111.88 3huw n LEU 196 Ca 0.00 -1.58 -0.29 0.00 -0.00 0.00 0.00 56.01 54.14 3huw n LEU 196 Cb 0.00 -0.73 -0.13 0.00 -0.00 0.00 0.00 43.42 42.56 3huw n LEU 196 CO 0.00 0.66 -0.32 -0.69 -0.00 0.00 0.00 177.39 177.04 3huw s VAL 197 N 0.64 0.16 0.54 1.47 1.01 0.15 -4.93 120.40 119.45 3huw s VAL 197 Ca 0.00 -1.42 0.35 0.00 0.00 0.00 0.00 61.98 60.92 3huw s VAL 197 Cb 0.00 -1.13 0.54 0.00 0.00 0.00 0.00 36.38 35.79 3huw s VAL 197 CO 0.00 -0.89 1.82 0.44 0.00 0.00 0.00 175.10 176.48 3huw h ASP 198 N 7.51 0.01 -2.76 3.32 5.19 -1.69 -3.31 116.42 124.68 3huw h ASP 198 Ca -0.04 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.87 3huw h ASP 198 Cb 0.98 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 40.10 3huw h ASP 198 CO 0.34 0.00 -0.76 -0.31 -3.12 0.00 0.00 179.24 175.39 3huw s TYR 199 N -4.96 0.23 -0.10 4.55 1.51 0.40 -4.93 117.35 114.06 3huw s TYR 199 Ca -0.05 -0.75 -0.21 0.00 -1.01 0.00 0.00 57.07 55.05 3huw s TYR 199 Cb 0.23 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 3huw s TYR 199 CO 0.80 -0.80 0.59 0.42 -1.11 0.00 0.00 175.55 175.45 3huw s ILE 200 N 2.13 5.11 -0.88 2.71 1.09 -1.25 -2.36 121.20 127.75 3huw s ILE 200 Ca 0.08 1.19 -0.01 0.00 -1.10 0.00 0.00 60.65 60.82 3huw s ILE 200 Cb -0.16 -3.93 0.25 0.00 -1.06 0.00 0.00 42.46 37.56 3huw s ILE 200 CO -0.33 0.28 0.93 -0.38 -0.10 0.00 0.00 174.94 175.33 3huw n ILE 201 N 3.78 3.39 -1.53 2.92 2.08 -0.77 -4.75 119.36 124.48 3huw n ILE 201 Ca -0.04 -5.32 -0.17 0.00 0.56 0.00 0.00 62.75 57.78 3huw n ILE 201 Cb 0.51 -2.26 -0.14 0.00 -0.75 0.00 0.00 39.64 37.00 3huw n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3huw n PRO 202 N 1.77 0.31 -3.81 0.38 -0.04 -1.22 -0.86 135.00 131.52 3huw n PRO 202 Ca 0.25 -0.47 -0.05 0.00 -0.04 0.00 0.00 63.50 63.18 3huw n PRO 202 Cb 0.37 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 3huw n PRO 202 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3huw s GLY 203 N 6.01 -0.10 0.21 0.55 0.00 0.89 -4.57 107.32 110.31 3huw s GLY 203 Ca 1.10 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 3huw s GLY 203 CO 0.30 0.06 1.20 0.21 0.00 0.00 0.00 173.10 174.87 3huw s ASN 204 N -2.97 7.07 -0.17 1.64 2.47 -1.25 -3.41 114.94 118.32 3huw s ASN 204 Ca 0.12 2.29 0.17 0.00 0.42 0.00 0.00 52.86 55.86 3huw s ASN 204 Cb -0.04 -2.61 0.47 0.00 -1.45 0.00 0.00 41.25 37.62 3huw s ASN 204 CO 0.05 -0.37 1.35 -0.90 -3.72 0.00 0.00 177.10 173.52 3huw n ASP 205 N 2.22 3.51 -0.05 -4.21 5.68 -1.26 -4.38 116.55 118.06 3huw n ASP 205 Ca 0.03 -3.03 -0.06 0.00 -0.50 0.00 0.00 54.79 51.23 3huw n ASP 205 Cb 0.44 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 3huw n ASP 205 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3huw n ASP 206 N -0.74 1.70 -4.63 -1.12 9.92 -1.26 -4.77 116.55 115.65 3huw n ASP 206 Ca 0.20 0.27 -0.43 0.00 -0.53 0.00 0.00 54.79 54.31 3huw n ASP 206 Cb 0.83 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 3huw n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3huw s ALA 207 N -2.64 3.20 0.37 2.24 0.00 -1.26 -4.76 121.76 118.90 3huw s ALA 207 Ca -0.20 0.94 0.16 0.00 0.00 0.00 0.00 51.96 52.86 3huw s ALA 207 Cb 0.03 -3.93 1.05 0.00 0.00 0.00 0.00 23.12 20.26 3huw s ALA 207 CO 0.30 -2.10 1.74 0.82 0.00 0.00 0.00 175.76 176.52 3huw h ILE 208 N 6.30 0.48 -0.01 0.00 2.04 -1.93 -1.01 117.51 123.38 3huw h ILE 208 Ca -0.43 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3huw h ILE 208 Cb 1.22 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3huw h ILE 208 CO 0.96 0.08 -0.04 0.03 0.00 0.00 0.00 178.15 179.18 3huw h ARG 209 N 0.44 -0.04 -0.99 2.37 2.47 -1.89 0.11 114.38 116.84 3huw h ARG 209 Ca 0.64 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.46 3huw h ARG 209 Cb 1.49 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.74 3huw h ARG 209 CO -0.39 -0.03 0.63 0.77 0.56 0.00 0.00 179.97 181.51 3huw h SER 210 N -0.04 0.96 -0.40 7.04 0.02 -1.51 0.74 113.55 120.37 3huw h SER 210 Ca 0.00 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3huw h SER 210 Cb 0.05 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 3huw h SER 210 CO -0.03 0.56 -0.11 0.40 -1.14 0.00 0.00 176.83 176.51 3huw h ILE 211 N 1.06 0.59 0.02 3.27 2.04 -0.75 -2.53 117.51 121.20 3huw h ILE 211 Ca 0.46 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.32 3huw h ILE 211 Cb 0.34 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3huw h ILE 211 CO -0.22 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.31 3huw h GLN 212 N -0.01 -0.02 0.00 2.37 -0.00 0.08 -2.80 115.11 114.72 3huw h GLN 212 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 3huw h GLN 212 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.79 3huw h GLN 212 CO -0.41 0.73 0.18 -0.11 0.00 0.00 0.00 178.83 179.22 3huw n LEU 213 N -4.71 0.04 -0.11 -2.39 0.00 0.17 0.19 117.00 110.19 3huw n LEU 213 Ca -0.09 0.35 -0.13 0.00 0.00 0.00 0.00 56.01 56.14 3huw n LEU 213 Cb 0.37 -0.35 -0.13 0.00 0.00 0.00 0.00 43.42 43.31 3huw n LEU 213 CO 0.31 -0.36 -1.22 -0.38 0.00 0.00 0.00 177.39 175.74 3huw n ILE 214 N -1.40 1.37 1.40 1.96 2.08 -0.96 -4.00 119.36 119.81 3huw n ILE 214 Ca -0.00 -0.69 0.10 0.00 0.56 0.00 0.00 62.75 62.72 3huw n ILE 214 Cb 0.18 -0.91 0.41 0.00 -0.75 0.00 0.00 39.64 38.57 3huw n ILE 214 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3huw n LEU 215 N -2.96 1.28 0.00 1.39 4.77 0.24 -3.08 117.00 118.64 3huw n LEU 215 Ca -0.37 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3huw n LEU 215 Cb 1.05 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3huw n LEU 215 CO 0.33 0.27 0.05 -0.24 -1.33 0.00 0.00 177.39 176.47 3huw n SER 216 N 0.07 0.00 0.00 -1.43 2.88 0.51 -3.81 113.62 111.84 3huw n SER 216 Ca 0.15 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 3huw n SER 216 Cb 0.27 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.74 3huw n SER 216 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3huw n ARG 217 N -0.32 0.00 0.20 -1.46 5.12 -1.26 -2.65 116.66 116.30 3huw n ARG 217 Ca 0.00 0.40 -0.15 0.00 -1.93 0.00 0.00 57.85 56.17 3huw n ARG 217 Cb 0.00 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 29.73 3huw n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3huw h ALA 218 N 2.03 -0.70 -0.39 7.54 0.00 -1.64 -2.55 119.26 123.55 3huw h ALA 218 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3huw h ALA 218 Cb 0.01 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3huw h ALA 218 CO 0.00 -0.93 0.00 0.28 0.00 0.00 0.00 179.25 178.60 3huw n VAL 219 N -5.44 0.00 -0.22 0.00 0.31 -1.08 -3.67 118.33 108.23 3huw n VAL 219 Ca -0.09 0.84 0.10 0.00 -0.01 0.00 0.00 64.34 65.18 3huw n VAL 219 Cb 0.35 -1.76 0.20 0.00 -0.91 0.00 0.00 33.84 31.72 3huw n VAL 219 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3huw n ASP 220 N -1.81 -0.05 -0.19 4.52 5.75 -1.26 0.23 116.55 123.74 3huw n ASP 220 Ca 0.00 1.09 -0.02 0.00 -0.01 0.00 0.00 54.79 55.85 3huw n ASP 220 Cb 0.00 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 39.74 3huw n ASP 220 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3huw h LEU 221 N 0.00 -0.55 -0.24 -2.12 7.12 -1.57 1.55 115.31 119.50 3huw h LEU 221 Ca 0.40 0.18 -0.07 0.00 0.13 0.00 0.00 57.88 58.52 3huw h LEU 221 Cb 0.84 0.37 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 3huw h LEU 221 CO -0.60 -0.20 -0.11 0.40 -0.13 0.00 0.00 178.44 177.81 3huw h ILE 222 N -0.00 1.30 0.00 4.05 2.04 0.28 -3.12 117.51 122.06 3huw h ILE 222 Ca 0.28 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3huw h ILE 222 Cb 0.43 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3huw h ILE 222 CO -0.60 0.37 0.00 0.16 0.00 0.00 0.00 178.15 178.07 3huw h ILE 223 N 0.22 0.00 -0.21 -0.67 3.07 -0.34 -2.90 117.51 116.68 3huw h ILE 223 Ca 0.05 -0.69 0.02 0.00 1.55 0.00 0.00 64.86 65.79 3huw h ILE 223 Cb 0.61 1.67 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 3huw h ILE 223 CO 0.03 0.00 0.08 -0.61 -1.05 0.00 0.00 178.15 176.61 3huw h GLN 224 N 0.00 0.18 -4.77 0.16 4.15 0.23 -0.79 115.11 114.27 3huw h GLN 224 Ca 0.00 -0.01 -0.73 0.00 0.77 0.00 0.00 58.65 58.68 3huw h GLN 224 Cb 0.71 -0.04 -0.16 0.00 0.21 0.00 0.00 27.48 28.20 3huw h GLN 224 CO 0.00 0.12 1.59 0.00 -1.93 0.00 0.00 178.83 178.61 3huw n ALA 225 N -2.22 4.02 0.00 3.38 0.00 -1.09 -2.68 120.51 121.91 3huw n ALA 225 Ca -0.03 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3huw n ALA 225 Cb 0.07 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.38 3huw n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3huw n ARG 226 N 5.87 0.00 0.00 0.00 0.63 -0.81 -4.33 116.66 118.03 3huw n ARG 226 Ca 0.39 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3huw n ARG 226 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 3huw n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huw n GLY 227 N 0.00 0.76 0.00 5.14 0.00 -0.37 -5.08 105.19 105.65 3huw n GLY 227 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3huw n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 228 N 0.00 -0.59 1.31 -0.02 0.00 -1.22 -4.96 105.19 99.71 3huw n GLY 228 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3huw n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huw n VAL 229 N 0.00 1.44 -0.68 1.61 0.31 -1.26 -4.32 118.33 115.43 3huw n VAL 229 Ca 0.00 -0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 63.84 3huw n VAL 229 Cb 0.00 -1.24 0.02 0.00 -0.91 0.00 0.00 33.84 31.71 3huw n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3huw n VAL 230 N 1.11 0.00 -2.25 2.52 0.24 -1.26 -4.96 118.33 113.72 3huw n VAL 230 Ca 0.00 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.34 61.70 3huw n VAL 230 Cb 0.46 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 3huw n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3huw s GLU 231 N -1.04 3.48 0.60 7.34 -1.05 -1.26 -5.02 118.70 121.75 3huw s GLU 231 Ca 0.29 0.43 -0.18 0.00 -0.15 0.00 0.00 54.97 55.36 3huw s GLU 231 Cb -0.18 -2.22 -0.08 0.00 -0.44 0.00 0.00 34.13 31.21 3huw s GLU 231 CO 0.48 -0.45 0.55 -2.30 0.95 0.00 0.00 175.26 174.50 3huw n PRO 232 N -2.53 0.50 -4.57 -4.83 -0.02 -1.26 -5.04 135.00 117.24 3huw n PRO 232 Ca 0.04 0.20 -0.26 0.00 -2.02 0.00 0.00 63.50 61.45 3huw n PRO 232 Cb 0.55 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 3huw n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3huw s SER 233 N -1.22 3.18 0.00 2.55 0.15 -1.26 -5.00 113.70 112.10 3huw s SER 233 Ca 0.69 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.83 3huw s SER 233 Cb -0.43 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3huw s SER 233 CO 0.54 -0.70 0.65 -2.65 1.20 0.00 0.00 173.24 172.28 3huw n PRO 234 N -0.93 0.00 0.00 5.44 -0.02 -1.26 -4.64 135.00 133.60 3huw n PRO 234 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3huw n PRO 234 Cb 0.66 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 3huw n PRO 234 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3huw n SER 235 N 3.04 0.00 -4.67 2.55 3.41 -1.26 -4.72 113.62 111.97 3huw n SER 235 Ca 0.00 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3huw n SER 235 Cb 0.32 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3huw n SER 235 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3huw s TYR 236 N -0.95 2.08 0.00 7.33 1.51 -1.26 -4.92 117.35 121.14 3huw s TYR 236 Ca 0.00 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 3huw s TYR 236 Cb 0.00 -4.00 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 3huw s TYR 236 CO 0.00 -4.16 0.00 0.00 -1.11 0.00 0.00 175.55 170.28 3huw n ALA 237 N 6.43 0.00 -1.88 3.71 0.00 -1.26 -4.87 120.51 122.65 3huw n ALA 237 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 3huw n ALA 237 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 3huw n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3huw n LEU 238 N 0.00 6.40 -4.55 0.00 -0.00 -1.26 -4.99 117.00 112.60 3huw n LEU 238 Ca 0.00 -4.73 -0.17 0.00 -0.00 0.00 0.00 56.01 51.12 3huw n LEU 238 Cb 0.00 -0.74 -0.08 0.00 -0.00 0.00 0.00 43.42 42.59 3huw n LEU 238 CO 0.00 1.85 1.39 0.52 -0.00 0.00 0.00 177.39 181.15 3huw n VAL 239 N -0.68 -0.01 0.00 1.47 0.31 -1.26 -4.39 118.33 113.76 3huw n VAL 239 Ca 0.51 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3huw n VAL 239 Cb 0.63 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3huw n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huw n GLN 240 N 8.53 0.00 0.00 5.55 6.02 -1.26 -5.18 117.38 131.04 3huw n GLN 240 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3huw n GLN 240 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 3huw n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14