#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtt s LEU 3 N 0.00 3.05 -0.38 1.53 2.96 -1.26 -0.92 118.68 123.65 1xtt s LEU 3 Ca 0.00 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1xtt s LEU 3 Cb 0.00 -1.73 0.11 0.00 0.50 0.00 0.00 46.19 45.07 1xtt s LEU 3 CO 0.00 0.13 0.12 -0.31 -1.32 0.00 0.00 176.35 174.97 1xtt s TYR 4 N 0.58 3.06 -0.36 5.38 1.51 0.56 -4.96 117.35 123.12 1xtt s TYR 4 Ca -0.04 -2.74 -0.21 0.00 -1.01 0.00 0.00 57.07 53.07 1xtt s TYR 4 Cb -0.15 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 1xtt s TYR 4 CO 0.03 -0.88 0.66 0.08 -1.11 0.00 0.00 175.55 174.33 1xtt s VAL 5 N 0.74 4.86 -0.95 0.71 1.01 -1.26 -1.96 120.40 123.55 1xtt s VAL 5 Ca 0.13 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1xtt s VAL 5 Cb -0.21 -4.10 0.20 0.00 0.00 0.00 0.00 36.38 32.27 1xtt s VAL 5 CO -0.09 -0.35 1.01 -0.63 0.00 0.00 0.00 175.10 175.05 1xtt s ILE 6 N 2.77 5.34 -0.63 2.22 -1.09 0.44 -4.88 121.20 125.38 1xtt s ILE 6 Ca 0.25 -2.37 0.04 0.00 -2.23 0.00 0.00 60.65 56.34 1xtt s ILE 6 Cb -0.14 -4.64 0.36 0.00 -1.58 0.00 0.00 42.46 36.46 1xtt s ILE 6 CO 0.15 -1.27 1.19 -0.90 -1.23 0.00 0.00 174.94 172.89 1xtt n ASP 7 N 4.75 5.18 -4.91 3.58 5.75 -1.26 -4.45 116.55 125.20 1xtt n ASP 7 Ca 0.21 -3.71 -0.27 0.00 -0.01 0.00 0.00 54.79 51.01 1xtt n ASP 7 Cb 0.46 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1xtt n ASP 7 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xtt s LYS 8 N -3.66 3.47 0.26 0.11 1.02 -1.26 -4.85 119.74 114.83 1xtt s LYS 8 Ca 0.48 0.13 -0.06 0.00 0.02 0.00 0.00 55.97 56.54 1xtt s LYS 8 Cb 0.31 -2.38 0.50 0.00 -0.52 0.00 0.00 37.83 35.73 1xtt s LYS 8 CO -0.17 -0.24 1.61 -1.35 -0.92 0.00 0.00 175.35 174.28 1xtt h PRO 9 N 0.21 0.06 -0.39 -1.68 0.11 -1.99 -1.25 132.00 127.08 1xtt h PRO 9 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1xtt h PRO 9 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xtt h PRO 9 CO 0.61 0.04 -0.26 0.97 -0.21 0.00 0.00 178.00 179.16 1xtt h ILE 10 N 0.07 1.27 -0.24 4.15 6.09 -1.99 0.26 117.51 127.12 1xtt h ILE 10 Ca 0.46 -1.40 -0.13 0.00 -1.37 0.00 0.00 64.86 62.42 1xtt h ILE 10 Cb 0.82 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.35 1xtt h ILE 10 CO -0.76 0.47 -0.38 0.71 -3.07 0.00 0.00 178.15 175.12 1xtt h THR 11 N 0.70 1.29 -0.15 2.19 1.35 -1.68 -0.42 112.91 116.19 1xtt h THR 11 Ca 0.09 -1.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.29 1xtt h THR 11 Cb 0.79 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1xtt h THR 11 CO 0.07 0.48 -0.48 -0.07 -0.25 0.00 0.00 175.52 175.26 1xtt h LEU 12 N 0.46 0.42 -0.10 3.87 3.38 -1.08 0.23 115.31 122.50 1xtt h LEU 12 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xtt h LEU 12 Cb 0.86 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1xtt h LEU 12 CO 0.07 0.84 0.03 -0.74 0.09 0.00 0.00 178.44 178.73 1xtt h HIS 13 N 0.31 0.16 -0.57 1.13 2.76 -0.59 -0.03 115.15 118.31 1xtt h HIS 13 Ca 0.02 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1xtt h HIS 13 Cb 0.96 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 1xtt h HIS 13 CO 0.03 0.31 0.16 0.82 -1.30 0.00 0.00 177.93 177.94 1xtt h ILE 14 N -0.04 1.24 -0.97 6.26 2.04 -0.90 -2.46 117.51 122.69 1xtt h ILE 14 Ca 0.03 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1xtt h ILE 14 Cb 0.22 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1xtt h ILE 14 CO -0.00 0.32 0.63 0.25 0.00 0.00 0.00 178.15 179.35 1xtt h LEU 15 N 0.82 1.05 -1.05 1.44 5.85 -0.38 -1.46 115.31 121.58 1xtt h LEU 15 Ca 0.18 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1xtt h LEU 15 Cb 0.31 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1xtt h LEU 15 CO -0.00 0.72 0.64 0.74 -0.34 0.00 0.00 178.44 180.19 1xtt h THR 16 N 1.22 1.15 -0.32 1.05 2.02 -0.54 0.70 112.91 118.19 1xtt h THR 16 Ca 0.38 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1xtt h THR 16 Cb 0.00 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 1xtt h THR 16 CO -0.12 0.22 -0.24 1.56 0.37 0.00 0.00 175.52 177.30 1xtt h GLN 17 N 1.20 0.63 -0.39 6.66 1.08 -0.98 -1.49 115.11 121.83 1xtt h GLN 17 Ca 0.40 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 1xtt h GLN 17 Cb 0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1xtt h GLN 17 CO -0.13 0.82 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.28 1xtt h LEU 18 N 0.55 0.86 -0.59 1.46 3.38 -0.28 -3.16 115.31 117.52 1xtt h LEU 18 Ca 0.08 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1xtt h LEU 18 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1xtt h LEU 18 CO 0.05 1.09 0.05 0.03 0.09 0.00 0.00 178.44 179.75 1xtt h ARG 19 N 0.63 1.02 -6.07 1.13 3.08 -0.77 -3.44 114.38 109.96 1xtt h ARG 19 Ca 0.08 -0.30 -0.71 0.00 0.07 0.00 0.00 59.98 59.13 1xtt h ARG 19 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1xtt h ARG 19 CO 0.06 0.98 1.19 -3.47 -1.07 0.00 0.00 179.97 177.66 1xtt n ASP 20 N -4.25 2.14 0.24 7.04 -0.08 -0.57 -4.81 116.55 116.26 1xtt n ASP 20 Ca 0.03 0.74 0.16 0.00 -1.51 0.00 0.00 54.79 54.21 1xtt n ASP 20 Cb 0.31 -1.18 0.83 0.00 2.34 0.00 0.00 41.12 43.42 1xtt n ASP 20 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1xtt h LYS 21 N 9.78 0.00 -0.00 -0.67 2.10 -1.88 -1.75 116.57 124.15 1xtt h LYS 21 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1xtt h LYS 21 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1xtt h LYS 21 CO 1.00 0.00 -0.21 0.66 -2.00 0.00 0.00 179.45 178.90 1xtt n TYR 22 N -2.66 0.00 -2.42 0.07 4.02 -1.26 -4.80 117.16 110.11 1xtt n TYR 22 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1xtt n TYR 22 Cb 0.10 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.03 1xtt n TYR 22 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1xtt s THR 23 N -2.96 4.15 1.14 -0.72 2.01 -0.66 -5.01 115.64 113.60 1xtt s THR 23 Ca 0.14 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.30 1xtt s THR 23 Cb 0.18 -4.13 0.26 0.00 0.01 0.00 0.00 72.50 68.82 1xtt s THR 23 CO 0.59 -0.43 1.07 1.51 -0.69 0.00 0.00 174.62 176.68 1xtt s ASP 24 N 2.71 1.38 0.35 3.53 1.47 -1.26 -4.66 116.67 120.19 1xtt s ASP 24 Ca 0.56 1.01 0.06 0.00 1.18 0.00 0.00 52.55 55.36 1xtt s ASP 24 Cb -0.17 -1.53 0.66 0.00 -0.34 0.00 0.00 42.92 41.53 1xtt s ASP 24 CO 0.22 -3.88 1.88 0.06 0.68 0.00 0.00 175.17 174.13 1xtt h GLN 25 N -2.41 0.43 0.10 2.11 3.07 -1.86 0.10 115.11 116.65 1xtt h GLN 25 Ca -0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.12 1xtt h GLN 25 Cb 1.32 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1xtt h GLN 25 CO 0.46 0.50 -0.05 0.82 0.09 0.00 0.00 178.83 180.66 1xtt h ILE 26 N 0.41 0.94 -0.03 1.86 2.04 -1.86 0.44 117.51 121.31 1xtt h ILE 26 Ca 0.09 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 1xtt h ILE 26 Cb 0.36 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1xtt h ILE 26 CO 0.02 0.03 -0.63 0.78 0.00 0.00 0.00 178.15 178.35 1xtt h ASN 27 N -0.19 0.11 -0.08 1.72 2.35 -1.88 -1.62 115.58 115.99 1xtt h ASN 27 Ca -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1xtt h ASN 27 Cb 0.15 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xtt h ASN 27 CO 0.02 0.71 0.03 0.15 -1.65 0.00 0.00 177.43 176.69 1xtt h PHE 28 N 0.07 0.12 -0.71 1.19 3.57 -0.58 -1.48 116.94 119.13 1xtt h PHE 28 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1xtt h PHE 28 Cb 1.12 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1xtt h PHE 28 CO 0.01 0.25 0.23 0.00 -2.23 0.00 0.00 178.31 176.57 1xtt h ARG 29 N -0.03 1.09 -0.63 1.11 3.08 -0.83 -1.62 114.38 116.54 1xtt h ARG 29 Ca 0.03 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1xtt h ARG 29 Cb 0.18 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1xtt h ARG 29 CO -0.00 0.92 0.40 -0.22 -1.07 0.00 0.00 179.97 180.00 1xtt h LYS 30 N 1.05 0.77 -0.04 0.04 3.64 -1.08 -0.98 116.57 119.97 1xtt h LYS 30 Ca 0.23 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1xtt h LYS 30 Cb 0.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xtt h LYS 30 CO -0.01 0.51 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.29 1xtt h ASN 31 N 0.79 0.10 -0.43 4.20 2.35 -0.95 -2.24 115.58 119.41 1xtt h ASN 31 Ca 0.25 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 1xtt h ASN 31 Cb -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1xtt h ASN 31 CO -0.09 0.57 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.12 1xtt h LEU 32 N 0.08 0.81 -0.55 1.61 3.38 -0.56 -1.60 115.31 118.47 1xtt h LEU 32 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xtt h LEU 32 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1xtt h LEU 32 CO 0.07 0.96 0.36 0.58 0.09 0.00 0.00 178.44 180.50 1xtt h VAL 33 N 0.63 1.14 -0.51 1.22 2.07 -1.01 -0.17 116.25 119.62 1xtt h VAL 33 Ca 0.11 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1xtt h VAL 33 Cb 0.59 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1xtt h VAL 33 CO 0.04 0.14 0.21 0.03 0.02 0.00 0.00 177.57 178.01 1xtt h ARG 34 N 0.74 0.40 -0.06 1.57 3.08 -1.19 -1.19 114.38 117.73 1xtt h ARG 34 Ca 0.20 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1xtt h ARG 34 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1xtt h ARG 34 CO -0.04 0.27 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.69 1xtt h LEU 35 N 0.41 0.12 -0.56 3.04 3.38 -0.81 -0.96 115.31 119.94 1xtt h LEU 35 Ca 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1xtt h LEU 35 Cb 0.22 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1xtt h LEU 35 CO -0.22 0.48 0.30 1.23 0.09 0.00 0.00 178.44 180.32 1xtt h GLY 36 N 1.13 0.83 0.81 0.83 0.00 0.09 0.25 103.07 107.01 1xtt h GLY 36 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1xtt h GLY 36 CO 0.05 0.37 0.02 3.21 0.00 0.00 0.00 176.54 180.19 1xtt h ARG 37 N 0.75 0.23 -0.27 4.80 3.08 -0.83 -0.88 114.38 121.26 1xtt h ARG 37 Ca 0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1xtt h ARG 37 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1xtt h ARG 37 CO -0.03 0.41 0.14 0.82 -1.07 0.00 0.00 179.97 180.24 1xtt h ILE 38 N 0.01 1.13 -0.02 2.04 2.04 -0.96 -0.35 117.51 121.40 1xtt h ILE 38 Ca 0.04 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1xtt h ILE 38 Cb 0.29 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1xtt h ILE 38 CO 0.00 0.13 -0.31 -0.07 0.00 0.00 0.00 178.15 177.90 1xtt h LEU 39 N 0.32 0.03 -0.58 1.44 3.38 -0.51 -0.37 115.31 119.01 1xtt h LEU 39 Ca 0.09 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1xtt h LEU 39 Cb 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xtt h LEU 39 CO -0.01 0.34 -0.10 1.23 0.09 0.00 0.00 178.44 179.98 1xtt h GLY 40 N 0.95 1.11 0.87 0.83 0.00 -0.61 0.97 103.07 107.18 1xtt h GLY 40 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1xtt h GLY 40 CO 0.04 0.81 0.01 -1.82 0.00 0.00 0.00 176.54 175.58 1xtt h TYR 41 N 0.91 0.02 -0.91 5.60 3.20 -0.32 0.37 116.97 125.84 1xtt h TYR 41 Ca 0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1xtt h TYR 41 Cb 0.67 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1xtt h TYR 41 CO 0.04 0.15 0.51 0.93 -1.64 0.00 0.00 178.16 178.16 1xtt h GLU 42 N -0.12 1.26 -0.42 1.82 4.39 -0.92 -2.29 114.58 118.30 1xtt h GLU 42 Ca 0.00 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1xtt h GLU 42 Cb 0.14 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1xtt h GLU 42 CO -0.00 0.91 0.10 0.82 -1.16 0.00 0.00 179.01 179.68 1xtt h ILE 43 N 1.27 1.23 -0.89 3.13 2.04 -0.63 -2.77 117.51 120.89 1xtt h ILE 43 Ca 0.32 -0.80 0.18 0.00 1.00 0.00 0.00 64.86 65.56 1xtt h ILE 43 Cb 0.00 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1xtt h ILE 43 CO -0.05 0.28 0.58 0.28 0.00 0.00 0.00 178.15 179.24 1xtt h SER 44 N 0.55 0.50 0.00 1.72 0.02 -0.38 0.14 113.55 116.10 1xtt h SER 44 Ca 0.13 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1xtt h SER 44 Cb 0.32 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1xtt h SER 44 CO 0.00 0.22 0.00 0.59 -1.14 0.00 0.00 176.83 176.50 1xtt n ASN 45 N -4.54 0.00 -0.29 3.07 3.02 -0.96 -2.58 115.26 112.98 1xtt n ASN 45 Ca 0.18 -0.82 0.06 0.00 -0.03 0.00 0.00 54.58 53.98 1xtt n ASN 45 Cb 0.60 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1xtt n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xtt n THR 46 N -0.99 0.00 -1.73 3.41 -2.24 0.03 -5.01 114.28 107.76 1xtt n THR 46 Ca 0.19 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1xtt n THR 46 Cb 0.09 1.15 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 1xtt n THR 46 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xtt s LEU 47 N -1.87 2.95 0.57 3.22 1.43 -1.06 -5.04 118.68 118.88 1xtt s LEU 47 Ca 0.11 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 1xtt s LEU 47 Cb 0.11 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 1xtt s LEU 47 CO 0.34 -1.41 1.02 -1.81 0.23 0.00 0.00 176.35 174.73 1xtt s ASP 48 N -4.08 6.15 0.02 2.29 1.01 -1.26 -5.07 116.67 115.73 1xtt s ASP 48 Ca 0.58 1.66 -0.08 0.00 0.71 0.00 0.00 52.55 55.42 1xtt s ASP 48 Cb -0.12 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1xtt s ASP 48 CO 0.54 -0.92 0.15 -0.72 0.21 0.00 0.00 175.17 174.43 1xtt s TYR 49 N -2.65 0.08 0.15 4.23 -0.85 -1.26 -4.31 117.35 112.74 1xtt s TYR 49 Ca 0.60 -0.26 0.08 0.00 -0.52 0.00 0.00 57.07 56.97 1xtt s TYR 49 Cb -0.13 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1xtt s TYR 49 CO 0.38 -0.36 -0.06 -1.83 -1.52 0.00 0.00 175.55 172.16 1xtt s GLU 50 N -2.09 2.22 0.02 -3.49 -1.05 0.13 -4.93 118.70 109.51 1xtt s GLU 50 Ca -0.09 -1.12 -0.21 0.00 -0.15 0.00 0.00 54.97 53.40 1xtt s GLU 50 Cb -0.04 -2.29 -0.06 0.00 -0.44 0.00 0.00 34.13 31.31 1xtt s GLU 50 CO -0.02 0.47 0.63 0.42 0.95 0.00 0.00 175.26 177.71 1xtt s ILE 51 N -1.55 4.84 0.27 1.83 -1.09 -1.26 -0.89 121.20 123.36 1xtt s ILE 51 Ca 0.25 1.33 0.02 0.00 -2.23 0.00 0.00 60.65 60.02 1xtt s ILE 51 Cb -0.10 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1xtt s ILE 51 CO 0.16 0.43 0.14 0.68 -1.23 0.00 0.00 174.94 175.11 1xtt s VAL 52 N -0.29 0.35 -0.03 2.92 -7.23 -0.66 -4.92 120.40 110.53 1xtt s VAL 52 Ca 0.32 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1xtt s VAL 52 Cb -0.19 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1xtt s VAL 52 CO 0.19 0.00 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.16 1xtt s GLU 53 N -3.93 2.28 0.05 4.82 2.02 -1.26 0.83 118.70 123.51 1xtt s GLU 53 Ca 0.37 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.57 1xtt s GLU 53 Cb 0.06 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1xtt s GLU 53 CO 0.16 0.59 -0.12 0.14 0.02 0.00 0.00 175.26 176.05 1xtt s VAL 54 N -0.67 0.89 -0.22 2.63 -7.23 -0.68 -4.90 120.40 110.22 1xtt s VAL 54 Ca 0.11 -1.09 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 1xtt s VAL 54 Cb -0.10 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1xtt s VAL 54 CO -0.00 -0.19 0.10 -0.70 -0.31 0.00 0.00 175.10 174.00 1xtt s GLU 55 N -1.43 3.95 0.59 4.82 2.12 -1.26 -1.42 118.70 126.07 1xtt s GLU 55 Ca -0.03 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 1xtt s GLU 55 Cb -0.09 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1xtt s GLU 55 CO 0.01 0.09 0.87 0.95 -0.54 0.00 0.00 175.26 176.64 1xtt s THR 56 N 0.92 3.04 0.22 -1.70 -4.23 -0.45 -4.95 115.64 108.49 1xtt s THR 56 Ca 0.05 -0.33 0.32 0.00 -1.18 0.00 0.00 61.69 60.56 1xtt s THR 56 Cb -0.13 -3.21 0.32 0.00 1.34 0.00 0.00 72.50 70.82 1xtt s THR 56 CO 0.03 -0.19 1.98 -0.65 -0.54 0.00 0.00 174.62 175.25 1xtt h PRO 57 N -0.15 0.00 0.00 3.99 0.11 -1.99 -0.36 132.00 133.60 1xtt h PRO 57 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xtt h PRO 57 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xtt h PRO 57 CO 0.58 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.65 1xtt n LEU 58 N -2.64 0.00 -0.38 2.35 7.99 -1.26 -4.88 117.00 118.18 1xtt n LEU 58 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.93 1xtt n LEU 58 Cb 0.07 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 1xtt n LEU 58 CO 0.14 0.00 -0.05 0.61 -1.51 0.00 0.00 177.39 176.59 1xtt n GLY 59 N 0.74 0.60 3.28 -0.72 0.00 -0.15 -5.04 105.19 103.90 1xtt n GLY 59 Ca 0.16 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1xtt n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xtt s VAL 60 N -2.18 1.67 -0.03 1.61 -7.23 -1.25 -4.95 120.40 108.05 1xtt s VAL 60 Ca 0.00 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1xtt s VAL 60 Cb 0.00 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1xtt s VAL 60 CO 0.00 -0.09 0.13 -0.54 -0.31 0.00 0.00 175.10 174.29 1xtt s LYS 61 N -1.96 3.27 0.16 4.82 1.02 -1.26 -1.34 119.74 124.45 1xtt s LYS 61 Ca 0.06 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.66 1xtt s LYS 61 Cb -0.10 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1xtt s LYS 61 CO 0.04 0.68 0.14 -0.08 -0.92 0.00 0.00 175.35 175.21 1xtt s THR 62 N -1.21 0.07 0.36 2.17 -1.32 -0.50 -4.96 115.64 110.24 1xtt s THR 62 Ca 0.23 -1.80 -0.25 0.00 -1.21 0.00 0.00 61.69 58.65 1xtt s THR 62 Cb -0.12 -2.11 -0.09 0.00 -1.51 0.00 0.00 72.50 68.66 1xtt s THR 62 CO 0.14 -0.31 1.04 -0.54 -2.21 0.00 0.00 174.62 172.75 1xtt s LYS 63 N -4.06 4.33 0.26 7.08 -0.14 -1.26 -1.68 119.74 124.27 1xtt s LYS 63 Ca 0.26 1.55 0.05 0.00 -1.36 0.00 0.00 55.97 56.46 1xtt s LYS 63 Cb 0.06 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1xtt s LYS 63 CO 0.04 -0.00 0.17 0.41 -0.76 0.00 0.00 175.35 175.20 1xtt n GLY 64 N 0.57 3.32 3.13 -3.33 0.00 0.24 -4.85 105.19 104.27 1xtt n GLY 64 Ca 0.03 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 1xtt n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xtt s VAL 65 N -2.86 1.16 -0.07 1.61 1.01 -1.26 -1.66 120.40 118.34 1xtt s VAL 65 Ca 0.23 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1xtt s VAL 65 Cb 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1xtt s VAL 65 CO 0.17 0.24 -0.02 -0.62 0.00 0.00 0.00 175.10 174.87 1xtt s ASP 66 N -0.58 1.52 -0.88 3.32 2.15 -0.06 -4.89 116.67 117.25 1xtt s ASP 66 Ca 0.05 -0.12 -0.14 0.00 0.43 0.00 0.00 52.55 52.77 1xtt s ASP 66 Cb -0.06 -0.49 0.22 0.00 -0.30 0.00 0.00 42.92 42.28 1xtt s ASP 66 CO 0.00 -0.16 0.86 -0.63 -0.17 0.00 0.00 175.17 175.07 1xtt s ILE 67 N 1.72 5.56 0.54 4.11 1.01 -1.26 0.18 121.20 133.06 1xtt s ILE 67 Ca 0.02 -2.49 0.22 0.00 0.00 0.00 0.00 60.65 58.39 1xtt s ILE 67 Cb -0.13 -4.53 0.33 0.00 0.01 0.00 0.00 42.46 38.15 1xtt s ILE 67 CO -0.05 -1.11 2.10 0.00 0.00 0.00 0.00 174.94 175.88 1xtt h THR 68 N 4.76 0.81 -0.02 2.92 1.03 -1.96 -2.13 112.91 118.32 1xtt h THR 68 Ca 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.53 1xtt h THR 68 Cb 1.02 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1xtt h THR 68 CO 0.83 0.00 0.05 0.44 -0.01 0.00 0.00 175.52 176.83 1xtt h ASP 69 N 0.00 0.00 0.12 0.00 3.32 -1.90 -1.68 116.42 116.27 1xtt h ASP 69 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xtt h ASP 69 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1xtt h ASP 69 CO -0.00 0.00 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.43 1xtt h LEU 70 N 0.00 0.00 0.00 1.55 3.38 -1.75 -0.93 115.31 117.56 1xtt h LEU 70 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xtt h LEU 70 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xtt h LEU 70 CO -0.00 0.01 -0.12 0.78 0.09 0.00 0.00 178.44 179.21 1xtt h ASN 71 N 0.00 0.00 -2.83 -0.43 4.21 -1.52 -3.41 115.58 111.60 1xtt h ASN 71 Ca -0.00 -0.02 -0.61 0.00 1.21 0.00 0.00 56.30 56.88 1xtt h ASN 71 Cb 0.08 0.00 -0.42 0.00 -1.12 0.00 0.00 38.32 36.86 1xtt h ASN 71 CO 0.00 0.01 -0.62 0.59 -1.29 0.00 0.00 177.43 176.12 1xtt n ASN 72 N -2.63 2.83 -4.00 5.81 3.02 -0.35 -4.87 115.26 115.07 1xtt n ASN 72 Ca 0.04 -3.18 -0.19 0.00 -0.03 0.00 0.00 54.58 51.22 1xtt n ASN 72 Cb 0.48 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 1xtt n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xtt s ILE 73 N -1.54 0.71 -0.15 2.41 -1.09 -1.26 -1.14 121.20 119.14 1xtt s ILE 73 Ca 0.29 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1xtt s ILE 73 Cb 0.01 -0.63 0.03 0.00 -1.58 0.00 0.00 42.46 40.29 1xtt s ILE 73 CO -0.14 0.22 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.98 1xtt s VAL 74 N 0.11 1.48 -0.21 2.92 1.01 -0.43 -1.42 120.40 123.86 1xtt s VAL 74 Ca -0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1xtt s VAL 74 Cb -0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1xtt s VAL 74 CO 0.00 0.39 0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1xtt s ILE 75 N 1.52 5.25 -0.21 2.22 1.01 0.39 -0.52 121.20 130.86 1xtt s ILE 75 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 1xtt s ILE 75 Cb -0.13 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1xtt s ILE 75 CO -0.10 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 174.59 1xtt s ILE 76 N 0.59 3.57 -0.47 2.92 1.01 0.92 -0.28 121.20 129.46 1xtt s ILE 76 Ca 0.07 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 1xtt s ILE 76 Cb -0.12 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1xtt s ILE 76 CO 0.00 0.43 0.58 0.21 0.00 0.00 0.00 174.94 176.16 1xtt s ASN 77 N 1.24 6.24 -0.12 3.58 3.04 0.37 -0.83 114.94 128.46 1xtt s ASN 77 Ca 0.03 -0.72 -0.30 0.00 0.04 0.00 0.00 52.86 51.92 1xtt s ASN 77 Cb -0.14 -2.28 -0.02 0.00 -1.54 0.00 0.00 41.25 37.27 1xtt s ASN 77 CO -0.01 -0.78 1.13 -0.63 -3.04 0.00 0.00 177.10 173.77 1xtt s ILE 78 N 2.54 4.49 -0.11 -5.21 1.01 -0.80 -1.59 121.20 121.53 1xtt s ILE 78 Ca 0.16 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.31 1xtt s ILE 78 Cb -0.17 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 1xtt s ILE 78 CO 0.14 -0.06 1.78 -0.76 0.00 0.00 0.00 174.94 176.04 1xtt s LEU 79 N 2.57 4.09 0.00 2.97 1.43 0.79 -4.01 118.68 126.52 1xtt s LEU 79 Ca 0.51 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1xtt s LEU 79 Cb -0.21 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1xtt s LEU 79 CO 0.17 -1.20 0.00 -1.14 0.23 0.00 0.00 176.35 174.41 1xtt n ARG 80 N 7.61 0.00 -1.56 1.70 3.00 -1.26 -4.77 116.66 121.38 1xtt n ARG 80 Ca 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.02 1xtt n ARG 80 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.89 1xtt n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xtt n ALA 81 N 0.00 3.20 0.85 5.13 0.00 -1.26 -4.22 120.51 124.20 1xtt n ALA 81 Ca 0.00 -1.29 0.12 0.00 0.00 0.00 0.00 53.44 52.26 1xtt n ALA 81 Cb 0.00 -0.56 0.19 0.00 0.00 0.00 0.00 19.45 19.08 1xtt n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xtt n ALA 82 N -0.20 3.45 -0.15 0.00 0.00 -1.26 -4.32 120.51 118.03 1xtt n ALA 82 Ca -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 1xtt n ALA 82 Cb 0.84 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 19.25 1xtt n ALA 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xtt h VAL 83 N 0.00 0.63 -0.27 0.00 2.07 -1.91 0.55 116.25 117.32 1xtt h VAL 83 Ca 0.00 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1xtt h VAL 83 Cb 0.58 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xtt h VAL 83 CO 0.00 0.02 -0.36 -0.65 0.02 0.00 0.00 177.57 176.60 1xtt h PRO 84 N 0.11 0.59 -0.33 1.57 0.11 -1.91 -0.78 132.00 131.36 1xtt h PRO 84 Ca 0.24 -0.28 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1xtt h PRO 84 Cb 0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1xtt h PRO 84 CO -0.40 0.86 0.09 1.25 -0.21 0.00 0.00 178.00 179.59 1xtt h LEU 85 N 0.50 0.50 -1.12 2.35 5.85 -1.49 -2.55 115.31 119.34 1xtt h LEU 85 Ca 0.05 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1xtt h LEU 85 Cb 0.85 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1xtt h LEU 85 CO 0.07 0.59 -0.41 0.58 -0.34 0.00 0.00 178.44 178.94 1xtt h VAL 86 N 0.38 1.14 -0.52 1.05 2.07 0.17 -1.59 116.25 118.95 1xtt h VAL 86 Ca 0.11 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1xtt h VAL 86 Cb 0.29 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1xtt h VAL 86 CO -0.00 0.40 0.34 -0.08 0.02 0.00 0.00 177.57 178.25 1xtt h GLU 87 N 0.00 0.69 -0.43 1.57 4.81 -0.75 0.29 114.58 120.76 1xtt h GLU 87 Ca -0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1xtt h GLU 87 Cb 0.79 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1xtt h GLU 87 CO 0.05 0.46 -0.29 0.78 -0.73 0.00 0.00 179.01 179.29 1xtt h GLY 88 N 0.70 1.03 1.21 1.92 0.00 -1.15 -2.73 103.07 104.06 1xtt h GLY 88 Ca 0.19 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1xtt h GLY 88 CO -0.04 0.87 0.10 1.41 0.00 0.00 0.00 176.54 178.89 1xtt h LEU 89 N 0.80 0.92 -1.47 3.11 3.38 -0.73 -2.32 115.31 119.01 1xtt h LEU 89 Ca 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xtt h LEU 89 Cb 0.87 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xtt h LEU 89 CO 0.08 0.92 -0.11 0.25 0.09 0.00 0.00 178.44 179.67 1xtt h LEU 90 N 0.92 0.00 -0.36 1.67 5.85 -0.34 0.72 115.31 123.78 1xtt h LEU 90 Ca 0.19 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 1xtt h LEU 90 Cb 0.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1xtt h LEU 90 CO 0.01 0.11 -0.83 0.11 -0.34 0.00 0.00 178.44 177.50 1xtt h LYS 91 N 0.00 0.12 0.01 1.25 1.79 -1.11 -2.06 116.57 116.56 1xtt h LYS 91 Ca -0.00 -0.12 -0.22 0.00 -2.18 0.00 0.00 60.65 58.13 1xtt h LYS 91 Cb 0.55 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1xtt h LYS 91 CO 0.01 0.88 -0.93 0.00 -1.08 0.00 0.00 179.45 178.33 1xtt h ALA 92 N 1.08 0.41 -2.18 3.86 0.00 -0.90 -3.37 119.26 118.16 1xtt h ALA 92 Ca -0.03 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.57 1xtt h ALA 92 Cb 1.44 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 1xtt h ALA 92 CO 0.12 0.86 -0.78 1.19 0.00 0.00 0.00 179.25 180.64 1xtt n PHE 93 N -3.70 2.12 0.12 0.00 3.01 0.15 -4.96 117.46 114.21 1xtt n PHE 93 Ca -0.06 -3.94 0.19 0.00 1.01 0.00 0.00 57.45 54.66 1xtt n PHE 93 Cb 0.83 -0.47 0.77 0.00 -0.01 0.00 0.00 39.48 40.60 1xtt n PHE 93 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xtt h PRO 94 N 4.22 0.00 -0.01 -1.08 0.11 -1.55 -0.02 132.00 133.67 1xtt h PRO 94 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xtt h PRO 94 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1xtt h PRO 94 CO 0.69 0.00 -0.05 1.63 -0.21 0.00 0.00 178.00 180.06 1xtt n LYS 95 N -3.84 1.18 -2.20 1.05 5.02 -1.26 -4.91 118.16 113.20 1xtt n LYS 95 Ca 0.05 -0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 55.49 1xtt n LYS 95 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xtt n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtt s ALA 96 N -2.15 2.82 0.20 7.82 0.00 -0.02 -4.68 121.76 125.75 1xtt s ALA 96 Ca 0.37 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1xtt s ALA 96 Cb 0.21 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1xtt s ALA 96 CO 0.39 -0.79 0.36 1.03 0.00 0.00 0.00 175.76 176.75 1xtt s ARG 97 N -2.98 3.48 -0.01 0.00 3.00 -0.50 -4.93 118.95 117.01 1xtt s ARG 97 Ca 0.69 -0.48 0.02 0.00 0.00 0.00 0.00 55.73 55.96 1xtt s ARG 97 Cb -0.28 -2.88 -0.00 0.00 0.00 0.00 0.00 34.95 31.79 1xtt s ARG 97 CO 0.33 0.43 -0.08 -1.14 0.00 0.00 0.00 175.30 174.83 1xtt s GLN 98 N -3.44 0.71 0.37 3.54 0.74 -1.26 -0.46 119.66 119.86 1xtt s GLN 98 Ca 0.37 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.53 1xtt s GLN 98 Cb -0.11 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.28 1xtt s GLN 98 CO 0.29 0.15 0.09 0.20 -0.55 0.00 0.00 175.29 175.47 1xtt s GLY 99 N -0.06 2.36 0.09 2.59 0.00 0.61 -4.61 107.32 108.30 1xtt s GLY 99 Ca 0.01 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.19 1xtt s GLY 99 CO -0.00 -1.84 -0.11 -1.34 0.00 0.00 0.00 173.10 169.82 1xtt s VAL 100 N -3.25 0.94 -0.22 1.40 -7.23 -0.26 -0.48 120.40 111.30 1xtt s VAL 100 Ca 0.29 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.70 1xtt s VAL 100 Cb 0.05 -1.27 0.06 0.00 0.56 0.00 0.00 36.38 35.79 1xtt s VAL 100 CO 0.14 -0.49 0.59 -0.51 -0.31 0.00 0.00 175.10 174.52 1xtt s ILE 101 N -2.19 -0.00 -0.01 -0.62 2.07 -0.62 -1.29 121.20 118.54 1xtt s ILE 101 Ca 0.03 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.32 1xtt s ILE 101 Cb -0.04 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 1xtt s ILE 101 CO 0.00 0.00 -0.15 -0.83 -1.91 0.00 0.00 174.94 172.05 1xtt s GLY 102 N 0.34 0.75 0.05 1.50 0.00 0.22 -0.15 107.32 110.02 1xtt s GLY 102 Ca -0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1xtt s GLY 102 CO 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 173.10 172.43 1xtt s ALA 103 N -0.37 1.04 0.10 3.20 0.00 -1.26 -1.23 121.76 123.24 1xtt s ALA 103 Ca 0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1xtt s ALA 103 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1xtt s ALA 103 CO -0.01 0.16 0.12 0.45 0.00 0.00 0.00 175.76 176.48 1xtt s SER 104 N -1.31 0.25 0.61 0.00 0.15 -0.03 -4.90 113.70 108.49 1xtt s SER 104 Ca -0.01 -0.89 -0.06 0.00 0.70 0.00 0.00 55.95 55.69 1xtt s SER 104 Cb -0.08 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1xtt s SER 104 CO 0.01 -0.72 0.93 -0.13 1.20 0.00 0.00 173.24 174.54 1xtt s ARG 105 N -3.93 2.82 -1.55 5.44 0.52 -1.26 -0.22 118.95 120.77 1xtt s ARG 105 Ca 0.11 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1xtt s ARG 105 Cb 0.06 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1xtt s ARG 105 CO -0.07 -0.79 0.00 0.28 0.02 0.00 0.00 175.30 174.74 1xtt n VAL 106 N -2.65 -0.69 0.00 3.52 0.31 -1.24 -4.89 118.33 112.68 1xtt n VAL 106 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1xtt n VAL 106 Cb 0.58 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1xtt n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xtt n PRO 114 N -2.65 0.00 0.00 5.55 -0.02 -1.26 -4.89 135.00 131.73 1xtt n PRO 114 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1xtt n PRO 114 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 1xtt n PRO 114 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xtt n LYS 115 N 0.00 0.00 -0.34 -0.52 4.81 -1.26 -4.88 118.16 115.97 1xtt n LYS 115 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1xtt n LYS 115 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1xtt n LYS 115 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xtt n ASP 116 N 0.00 0.25 -4.66 3.14 5.75 -1.26 -4.88 116.55 114.90 1xtt n ASP 116 Ca 0.00 -1.86 -0.49 0.00 -0.01 0.00 0.00 54.79 52.43 1xtt n ASP 116 Cb 0.00 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.87 1xtt n ASP 116 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1xtt n MET 117 N -0.13 1.85 -2.10 0.11 1.56 -1.26 -4.89 117.12 112.26 1xtt n MET 117 Ca 0.01 0.67 -0.35 0.00 -0.27 0.00 0.00 57.70 57.76 1xtt n MET 117 Cb 0.64 -2.42 0.02 0.00 2.15 0.00 0.00 33.22 33.61 1xtt n MET 117 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1xtt s ASP 118 N 1.60 5.42 0.27 6.12 -0.00 -1.26 -4.96 116.67 123.86 1xtt s ASP 118 Ca 0.84 2.25 0.11 0.00 -0.00 0.00 0.00 52.55 55.75 1xtt s ASP 118 Cb -0.77 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 39.51 1xtt s ASP 118 CO 0.45 -1.43 -0.17 0.68 -0.00 0.00 0.00 175.17 174.69 1xtt s VAL 119 N -1.76 2.28 0.05 -1.27 -7.23 -1.26 -3.70 120.40 107.50 1xtt s VAL 119 Ca 0.74 -2.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1xtt s VAL 119 Cb -0.26 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1xtt s VAL 119 CO 0.31 -0.42 -0.08 -0.72 -0.31 0.00 0.00 175.10 173.88 1xtt s TYR 120 N -2.63 0.72 -0.29 2.82 -0.85 0.70 -4.90 117.35 112.91 1xtt s TYR 120 Ca 0.29 -0.52 -0.26 0.00 -0.52 0.00 0.00 57.07 56.05 1xtt s TYR 120 Cb -0.03 -0.43 0.01 0.00 0.38 0.00 0.00 41.96 41.89 1xtt s TYR 120 CO 0.13 -0.08 0.91 0.42 -1.52 0.00 0.00 175.55 175.42 1xtt s ILE 121 N -1.52 4.70 -0.30 -3.49 1.01 -1.26 -0.85 121.20 119.50 1xtt s ILE 121 Ca -0.08 1.52 0.22 0.00 0.00 0.00 0.00 60.65 62.31 1xtt s ILE 121 Cb -0.09 -4.24 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 1xtt s ILE 121 CO 0.00 -0.28 0.80 0.00 0.00 0.00 0.00 174.94 175.46 1xtt n TYR 122 N 6.38 0.33 -3.64 3.97 0.18 -0.36 -4.95 117.16 119.06 1xtt n TYR 122 Ca 0.08 0.09 -0.14 0.00 1.88 0.00 0.00 57.90 59.81 1xtt n TYR 122 Cb 0.47 -0.57 -0.08 0.00 -0.38 0.00 0.00 39.34 38.78 1xtt n TYR 122 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1xtt s TYR 123 N -3.36 -0.64 -0.26 -3.48 5.04 -1.21 -5.00 117.35 108.44 1xtt s TYR 123 Ca -0.02 1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 55.95 1xtt s TYR 123 Cb 0.13 0.25 0.08 0.00 0.35 0.00 0.00 41.96 42.77 1xtt s TYR 123 CO 0.85 -0.38 0.62 0.21 -1.34 0.00 0.00 175.55 175.51 1xtt s LYS 124 N -0.05 0.63 -0.31 4.97 2.20 -1.26 -0.61 119.74 125.31 1xtt s LYS 124 Ca -0.03 1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 56.72 1xtt s LYS 124 Cb -0.04 0.15 0.13 0.00 -1.51 0.00 0.00 37.83 36.56 1xtt s LYS 124 CO 0.03 -0.16 0.25 0.21 -0.36 0.00 0.00 175.35 175.32 1xtt s LYS 125 N 1.67 0.36 -0.06 4.03 2.20 -0.41 -5.01 119.74 122.51 1xtt s LYS 125 Ca -0.10 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1xtt s LYS 125 Cb -0.06 -0.88 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1xtt s LYS 125 CO -0.18 -1.07 -0.18 0.42 -0.36 0.00 0.00 175.35 173.97 1xtt s ILE 126 N 1.99 1.57 0.81 5.43 1.01 -1.26 -1.11 121.20 129.64 1xtt s ILE 126 Ca 0.11 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1xtt s ILE 126 Cb -0.16 -1.36 0.08 0.00 0.01 0.00 0.00 42.46 41.04 1xtt s ILE 126 CO -0.25 0.45 1.17 -2.16 0.00 0.00 0.00 174.94 174.15 1xtt s PRO 127 N 0.23 1.68 0.16 2.79 0.04 -1.26 -4.88 135.00 133.75 1xtt s PRO 127 Ca -0.10 1.63 -0.33 0.00 0.04 0.00 0.00 61.00 62.24 1xtt s PRO 127 Cb -0.14 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1xtt s PRO 127 CO 0.04 -2.16 1.67 -0.25 0.04 0.00 0.00 177.00 176.35 1xtt n ASP 128 N -3.42 3.54 -4.62 6.66 8.00 -1.26 -4.96 116.55 120.50 1xtt n ASP 128 Ca 0.12 1.06 -0.38 0.00 0.71 0.00 0.00 54.79 56.31 1xtt n ASP 128 Cb 0.51 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 1xtt n ASP 128 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xtt s ILE 129 N 1.33 5.32 -0.34 0.53 1.01 -1.26 -5.05 121.20 122.74 1xtt s ILE 129 Ca 0.78 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 1xtt s ILE 129 Cb -0.59 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1xtt s ILE 129 CO 0.36 0.28 1.02 -0.13 0.00 0.00 0.00 174.94 176.47 1xtt s ARG 130 N 1.52 3.97 0.33 2.79 0.52 -1.26 -4.97 118.95 121.84 1xtt s ARG 130 Ca 0.08 0.86 -0.28 0.00 -0.52 0.00 0.00 55.73 55.86 1xtt s ARG 130 Cb -0.15 -3.77 -0.12 0.00 0.52 0.00 0.00 34.95 31.43 1xtt s ARG 130 CO 0.09 -0.93 1.30 0.00 0.02 0.00 0.00 175.30 175.77 1xtt n ALA 131 N 6.87 1.26 -0.47 2.13 0.00 -1.25 -1.40 120.51 127.65 1xtt n ALA 131 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1xtt n ALA 131 Cb 0.48 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1xtt n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtt n LYS 132 N 0.75 0.00 -0.03 0.00 5.02 0.15 -4.65 118.16 119.41 1xtt n LYS 132 Ca 0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1xtt n LYS 132 Cb 0.35 -4.08 -0.02 0.00 -0.02 0.00 0.00 35.03 31.26 1xtt n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xtt n VAL 133 N -2.00 0.29 -2.60 -0.18 0.31 -0.84 -4.31 118.33 108.99 1xtt n VAL 133 Ca 0.00 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 1xtt n VAL 133 Cb 0.00 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1xtt n VAL 133 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1xtt s ASP 134 N -5.14 7.09 -0.31 4.52 1.01 -0.49 -4.57 116.67 118.77 1xtt s ASP 134 Ca -0.07 2.03 -0.10 0.00 0.71 0.00 0.00 52.55 55.12 1xtt s ASP 134 Cb 0.02 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1xtt s ASP 134 CO 0.10 -0.26 0.16 0.20 0.21 0.00 0.00 175.17 175.58 1xtt s ASN 135 N -1.40 5.60 -0.17 0.27 0.01 -0.29 -0.23 114.94 118.73 1xtt s ASN 135 Ca 0.52 -0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 52.05 1xtt s ASN 135 Cb -0.24 -2.02 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1xtt s ASN 135 CO 0.30 -0.19 0.20 -0.69 -1.51 0.00 0.00 177.10 175.21 1xtt s VAL 136 N 1.63 5.37 -0.24 1.60 1.01 -0.04 -1.31 120.40 128.41 1xtt s VAL 136 Ca 0.05 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1xtt s VAL 136 Cb -0.17 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1xtt s VAL 136 CO 0.07 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1xtt s ILE 137 N 0.27 2.58 -0.28 2.22 1.01 0.32 0.51 121.20 127.84 1xtt s ILE 137 Ca 0.12 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1xtt s ILE 137 Cb -0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1xtt s ILE 137 CO 0.01 0.23 0.18 -0.63 0.00 0.00 0.00 174.94 174.72 1xtt s ILE 138 N 1.28 5.22 -0.13 2.92 1.01 0.11 -0.05 121.20 131.55 1xtt s ILE 138 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1xtt s ILE 138 Cb -0.17 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1xtt s ILE 138 CO -0.06 0.26 -0.05 0.00 0.00 0.00 0.00 174.94 175.08 1xtt s ALA 139 N 1.73 2.96 -0.30 9.38 0.00 -0.01 -0.17 121.76 135.35 1xtt s ALA 139 Ca 0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1xtt s ALA 139 Cb -0.16 -1.44 0.16 0.00 0.00 0.00 0.00 23.12 21.69 1xtt s ALA 139 CO 0.10 0.32 0.71 0.34 0.00 0.00 0.00 175.76 177.23 1xtt s ASP 140 N 0.03 -1.11 0.58 0.00 -1.08 -0.47 -1.90 116.67 112.71 1xtt s ASP 140 Ca -0.00 1.07 0.28 0.00 -0.52 0.00 0.00 52.55 53.38 1xtt s ASP 140 Cb -0.14 2.08 1.52 0.00 -1.46 0.00 0.00 42.92 44.93 1xtt s ASP 140 CO 0.03 -0.21 1.99 1.55 0.52 0.00 0.00 175.17 179.05 1xtt h PRO 141 N 7.94 0.00 -5.02 4.34 0.13 -1.84 -3.34 132.00 134.21 1xtt h PRO 141 Ca -0.19 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.42 1xtt h PRO 141 Cb 1.13 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.95 1xtt h PRO 141 CO 0.14 0.00 -0.82 -1.64 -0.23 0.00 0.00 178.00 175.45 1xtt s MET 142 N -4.71 1.56 -0.27 0.86 -1.94 -1.26 -0.54 119.30 113.00 1xtt s MET 142 Ca -0.05 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1xtt s MET 142 Cb 0.16 -1.36 0.08 0.00 2.01 0.00 0.00 34.83 35.72 1xtt s MET 142 CO 0.59 0.18 0.01 0.42 -0.01 0.00 0.00 175.02 176.21 1xtt s ILE 143 N 0.16 1.45 0.00 2.53 1.01 -0.72 -5.01 121.20 120.62 1xtt s ILE 143 Ca -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1xtt s ILE 143 Cb -0.11 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1xtt s ILE 143 CO 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 174.94 174.62 1xtt n ALA 144 N 4.66 0.14 0.32 9.38 0.00 -1.26 -0.84 120.51 132.91 1xtt n ALA 144 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1xtt n ALA 144 Cb 0.43 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.23 1xtt n ALA 144 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xtt h THR 145 N 0.00 0.00 0.00 0.00 1.35 -1.90 -3.28 112.91 109.08 1xtt h THR 145 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1xtt h THR 145 Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1xtt h THR 145 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1xtt n ALA 146 N -2.01 0.00 -0.22 6.62 0.00 -1.26 -4.67 120.51 118.97 1xtt n ALA 146 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1xtt n ALA 146 Cb 0.44 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 19.53 1xtt n ALA 146 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xtt h SER 147 N 0.00 0.72 0.22 0.00 0.02 -1.93 0.12 113.55 112.71 1xtt h SER 147 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1xtt h SER 147 Cb 0.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xtt h SER 147 CO 0.00 0.55 -0.11 0.74 -1.14 0.00 0.00 176.83 176.87 1xtt h THR 148 N 0.83 0.83 -0.79 -2.27 2.02 -1.95 -0.17 112.91 111.42 1xtt h THR 148 Ca 0.22 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xtt h THR 148 Cb -0.06 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1xtt h THR 148 CO -0.05 0.06 0.51 -0.03 0.37 0.00 0.00 175.52 176.39 1xtt h MET 149 N -0.44 0.97 -0.47 6.66 -1.53 -1.91 -0.96 114.93 117.24 1xtt h MET 149 Ca -0.03 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.09 1xtt h MET 149 Cb 0.34 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 1xtt h MET 149 CO 0.05 0.64 -0.05 -0.07 0.14 0.00 0.00 176.91 177.62 1xtt h LEU 150 N 1.00 0.79 -0.56 3.39 3.38 -0.65 0.21 115.31 122.87 1xtt h LEU 150 Ca 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xtt h LEU 150 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xtt h LEU 150 CO -0.10 0.89 0.23 0.50 0.09 0.00 0.00 178.44 180.04 1xtt h LYS 151 N 0.75 0.84 -0.49 1.13 1.63 -0.35 -1.73 116.57 118.34 1xtt h LYS 151 Ca 0.14 -0.15 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 1xtt h LYS 151 Cb 0.52 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1xtt h LYS 151 CO 0.03 0.72 -0.16 0.28 -3.45 0.00 0.00 179.45 176.87 1xtt h VAL 152 N 0.77 1.27 -0.16 2.00 2.07 -0.86 -2.92 116.25 118.42 1xtt h VAL 152 Ca 0.19 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1xtt h VAL 152 Cb 0.19 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1xtt h VAL 152 CO -0.02 0.46 -0.10 -0.07 0.02 0.00 0.00 177.57 177.86 1xtt h LEU 153 N 0.85 0.23 -0.57 2.57 3.38 -0.68 -2.36 115.31 118.73 1xtt h LEU 153 Ca 0.12 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1xtt h LEU 153 Cb 0.72 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 1xtt h LEU 153 CO 0.06 0.37 0.00 -0.33 0.09 0.00 0.00 178.44 178.63 1xtt h GLU 154 N 0.24 0.12 0.00 1.13 5.08 -1.11 -0.47 114.58 119.57 1xtt h GLU 154 Ca 0.05 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1xtt h GLU 154 Cb 0.34 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xtt h GLU 154 CO 0.02 0.08 -0.64 0.93 -1.00 0.00 0.00 179.01 178.39 1xtt h GLU 155 N 0.12 0.43 -0.25 2.33 5.08 -1.58 -3.32 114.58 117.39 1xtt h GLU 155 Ca 0.30 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1xtt h GLU 155 Cb 0.47 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1xtt h GLU 155 CO -0.49 1.13 0.14 0.28 -1.00 0.00 0.00 179.01 179.07 1xtt h VAL 156 N -0.07 1.02 -0.29 3.13 2.07 -1.07 -2.45 116.25 118.59 1xtt h VAL 156 Ca -0.08 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1xtt h VAL 156 Cb 1.36 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1xtt h VAL 156 CO 0.13 0.05 0.23 0.58 0.02 0.00 0.00 177.57 178.58 1xtt h VAL 157 N 0.29 0.74 0.00 2.57 2.07 -1.23 0.41 116.25 121.10 1xtt h VAL 157 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1xtt h VAL 157 Cb 0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1xtt h VAL 157 CO -0.05 0.00 -0.13 0.11 0.02 0.00 0.00 177.57 177.52 1xtt h LYS 158 N 0.00 0.00 0.00 1.57 1.57 -1.53 -1.47 116.57 116.71 1xtt h LYS 158 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xtt h LYS 158 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xtt h LYS 158 CO -0.00 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1xtt n ALA 159 N -2.29 2.28 -3.91 3.86 0.00 0.13 -4.93 120.51 115.66 1xtt n ALA 159 Ca -0.02 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 1xtt n ALA 159 Cb 0.25 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 1xtt n ALA 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xtt n ASN 160 N -1.34 -1.27 -4.69 0.00 4.05 -0.55 -3.81 115.26 107.64 1xtt n ASN 160 Ca 0.11 -0.93 -0.30 0.00 0.45 0.00 0.00 54.58 53.90 1xtt n ASN 160 Cb 0.23 -3.38 0.15 0.00 1.23 0.00 0.00 39.78 38.01 1xtt n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1xtt s PRO 161 N -6.44 1.17 0.15 1.20 0.04 -1.26 0.34 135.00 130.20 1xtt s PRO 161 Ca 0.14 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1xtt s PRO 161 Cb -0.07 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1xtt s PRO 161 CO 0.87 -2.39 1.79 -0.22 0.04 0.00 0.00 177.00 177.09 1xtt h LYS 162 N -1.67 0.42 -3.67 4.56 3.64 -0.79 -3.39 116.57 115.67 1xtt h LYS 162 Ca -0.48 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 1xtt h LYS 162 Cb 1.27 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.84 1xtt h LYS 162 CO 0.49 0.28 -0.36 1.03 -2.27 0.00 0.00 179.45 178.63 1xtt s ARG 163 N -6.16 0.80 -0.10 1.90 0.52 -1.14 -4.98 118.95 109.79 1xtt s ARG 163 Ca -0.13 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1xtt s ARG 163 Cb 0.11 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.93 1xtt s ARG 163 CO 0.72 -0.25 -0.08 0.42 0.02 0.00 0.00 175.30 176.12 1xtt s ILE 164 N -3.32 1.01 0.07 1.52 1.01 -1.26 -0.86 121.20 119.37 1xtt s ILE 164 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1xtt s ILE 164 Cb 0.02 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1xtt s ILE 164 CO -0.08 0.35 -0.10 -0.31 0.00 0.00 0.00 174.94 174.80 1xtt s TYR 165 N 1.42 2.75 -0.07 3.97 1.51 0.18 -1.04 117.35 126.06 1xtt s TYR 165 Ca -0.01 -0.14 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1xtt s TYR 165 Cb -0.13 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1xtt s TYR 165 CO -0.05 0.39 -0.21 0.42 -1.11 0.00 0.00 175.55 174.99 1xtt s ILE 166 N -1.13 1.80 -0.23 2.71 1.01 0.50 -0.71 121.20 125.15 1xtt s ILE 166 Ca 0.19 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1xtt s ILE 166 Cb -0.11 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.84 1xtt s ILE 166 CO 0.11 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.74 1xtt s VAL 167 N 0.20 2.28 0.16 2.92 1.01 0.76 -0.53 120.40 127.21 1xtt s VAL 167 Ca -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.60 1xtt s VAL 167 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1xtt s VAL 167 CO 0.06 0.21 0.03 -0.94 0.00 0.00 0.00 175.10 174.46 1xtt s SER 168 N 1.21 0.92 -0.27 3.32 1.04 -0.51 -1.37 113.70 118.04 1xtt s SER 168 Ca -0.02 -1.20 -0.15 0.00 0.48 0.00 0.00 55.95 55.06 1xtt s SER 168 Cb -0.17 0.18 -0.12 0.00 0.10 0.00 0.00 66.02 66.01 1xtt s SER 168 CO -0.08 -0.63 -0.32 -0.38 0.98 0.00 0.00 173.24 172.81 1xtt n ILE 169 N -0.21 1.53 -4.68 -1.02 2.08 0.30 -3.63 119.36 113.73 1xtt n ILE 169 Ca -0.06 -0.33 -0.25 0.00 0.56 0.00 0.00 62.75 62.67 1xtt n ILE 169 Cb 0.64 -1.93 -0.17 0.00 -0.75 0.00 0.00 39.64 37.44 1xtt n ILE 169 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1xtt s ILE 170 N -2.53 1.26 0.08 1.39 1.01 -0.53 -1.01 121.20 120.87 1xtt s ILE 170 Ca -0.38 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 59.78 1xtt s ILE 170 Cb 0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1xtt s ILE 170 CO 0.49 0.38 -0.18 -0.44 0.00 0.00 0.00 174.94 175.19 1xtt s SER 171 N 0.55 2.21 0.38 3.58 0.01 -0.51 -1.75 113.70 118.16 1xtt s SER 171 Ca -0.14 -0.61 -0.12 0.00 1.31 0.00 0.00 55.95 56.39 1xtt s SER 171 Cb -0.15 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 1xtt s SER 171 CO 0.04 0.04 0.76 -0.94 0.41 0.00 0.00 173.24 173.56 1xtt s SER 172 N -1.64 6.62 0.25 2.44 1.04 -0.02 -0.93 113.70 121.45 1xtt s SER 172 Ca 0.04 1.20 -0.05 0.00 0.48 0.00 0.00 55.95 57.63 1xtt s SER 172 Cb -0.09 -2.35 0.35 0.00 0.10 0.00 0.00 66.02 64.03 1xtt s SER 172 CO 0.03 -0.33 1.86 -0.33 0.98 0.00 0.00 173.24 175.45 1xtt h GLU 173 N 1.62 0.99 -0.06 4.02 5.08 -1.42 0.16 114.58 124.98 1xtt h GLU 173 Ca -0.47 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1xtt h GLU 173 Cb 1.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1xtt h GLU 173 CO 0.64 0.66 0.01 -0.92 -1.00 0.00 0.00 179.01 178.40 1xtt h TYR 174 N 1.02 0.01 -0.64 4.33 3.20 -1.85 -2.09 116.97 120.97 1xtt h TYR 174 Ca 0.39 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 1xtt h TYR 174 Cb 0.17 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1xtt h TYR 174 CO -0.02 0.01 0.04 0.78 -1.64 0.00 0.00 178.16 177.32 1xtt h GLY 175 N 0.03 1.19 0.97 1.82 0.00 -1.44 -0.93 103.07 104.70 1xtt h GLY 175 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1xtt h GLY 175 CO -0.03 0.77 0.03 -2.08 0.00 0.00 0.00 176.54 175.23 1xtt h VAL 176 N 1.01 1.00 -0.58 4.60 2.07 -0.89 -0.96 116.25 122.49 1xtt h VAL 176 Ca 0.19 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1xtt h VAL 176 Cb 0.52 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1xtt h VAL 176 CO 0.02 0.01 0.20 -1.13 0.02 0.00 0.00 177.57 176.70 1xtt h ASN 177 N 0.07 0.83 -0.27 0.57 -0.73 -1.27 -1.93 115.58 112.85 1xtt h ASN 177 Ca 0.03 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 57.99 1xtt h ASN 177 Cb 0.01 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 1xtt h ASN 177 CO -0.02 0.80 0.13 0.50 -0.37 0.00 0.00 177.43 178.46 1xtt h LYS 178 N 0.81 0.39 -0.01 6.67 3.64 -0.94 -1.00 116.57 126.13 1xtt h LYS 178 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xtt h LYS 178 Cb 0.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1xtt h LYS 178 CO -0.01 0.38 -0.00 0.82 -2.27 0.00 0.00 179.45 178.37 1xtt h ILE 179 N 0.30 1.28 0.00 2.00 2.04 -1.15 -2.83 117.51 119.16 1xtt h ILE 179 Ca 0.09 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xtt h ILE 179 Cb 0.12 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1xtt h ILE 179 CO -0.01 0.22 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1xtt h LEU 180 N -0.33 0.00 0.14 1.44 3.38 -1.36 0.78 115.31 119.36 1xtt h LEU 180 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1xtt h LEU 180 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xtt h LEU 180 CO 0.00 0.00 -1.36 0.28 0.09 0.00 0.00 178.44 177.45 1xtt h SER 181 N 0.00 0.48 0.22 -0.43 0.02 -1.18 -2.84 113.55 109.82 1xtt h SER 181 Ca 0.00 -0.54 -0.32 0.00 -0.84 0.00 0.00 61.79 60.08 1xtt h SER 181 Cb 0.53 -0.15 0.04 0.00 0.14 0.00 0.00 62.40 62.95 1xtt h SER 181 CO 0.00 1.43 -1.40 0.50 -1.14 0.00 0.00 176.83 176.23 1xtt h LYS 182 N 0.08 0.57 -2.80 3.45 3.64 -1.23 -3.40 116.57 116.89 1xtt h LYS 182 Ca -0.18 -0.89 -0.61 0.00 -1.27 0.00 0.00 60.65 57.70 1xtt h LYS 182 Cb 2.01 0.32 -0.40 0.00 -0.41 0.00 0.00 32.23 33.75 1xtt h LYS 182 CO 0.20 1.42 -0.74 0.71 -2.27 0.00 0.00 179.45 178.78 1xtt s TYR 183 N -2.74 2.56 0.64 1.91 1.51 0.24 -4.96 117.35 116.50 1xtt s TYR 183 Ca -0.09 -2.92 0.38 0.00 -1.01 0.00 0.00 57.07 53.43 1xtt s TYR 183 Cb 0.05 -1.98 2.14 0.00 -0.11 0.00 0.00 41.96 42.05 1xtt s TYR 183 CO 0.94 -0.66 2.29 -1.35 -1.11 0.00 0.00 175.55 175.66 1xtt h PRO 184 N 5.52 0.00 -0.00 -1.71 0.11 -1.72 -2.52 132.00 131.68 1xtt h PRO 184 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1xtt h PRO 184 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xtt h PRO 184 CO 0.58 0.00 -0.17 1.97 -0.21 0.00 0.00 178.00 180.17 1xtt n PHE 185 N -3.38 0.00 -2.51 0.65 1.16 -1.26 -2.57 117.46 109.55 1xtt n PHE 185 Ca -0.03 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.17 1xtt n PHE 185 Cb 0.11 -0.39 -0.04 0.00 -1.61 0.00 0.00 39.48 37.55 1xtt n PHE 185 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1xtt s ILE 186 N -2.95 3.59 -0.51 1.97 1.01 -0.95 -4.61 121.20 118.76 1xtt s ILE 186 Ca 0.15 1.42 -0.17 0.00 0.00 0.00 0.00 60.65 62.04 1xtt s ILE 186 Cb 0.19 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.90 1xtt s ILE 186 CO 0.58 0.20 0.52 -0.31 0.00 0.00 0.00 174.94 175.93 1xtt s TYR 187 N -1.39 3.15 -0.37 3.97 2.02 -0.21 -0.30 117.35 124.22 1xtt s TYR 187 Ca 0.51 -0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 1xtt s TYR 187 Cb -0.27 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 37.82 1xtt s TYR 187 CO 0.35 -0.96 0.30 -1.17 -1.57 0.00 0.00 175.55 172.50 1xtt s LEU 188 N 2.07 4.77 -0.15 -1.29 0.20 -0.10 -0.37 118.68 123.81 1xtt s LEU 188 Ca 0.08 -0.61 -0.06 0.00 0.69 0.00 0.00 54.13 54.23 1xtt s LEU 188 Cb -0.23 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 1xtt s LEU 188 CO 0.08 -0.36 0.07 -0.36 -0.29 0.00 0.00 176.35 175.48 1xtt s PHE 189 N 1.78 3.31 0.11 5.38 0.40 0.31 -0.32 117.98 128.95 1xtt s PHE 189 Ca 0.07 0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.45 1xtt s PHE 189 Cb -0.18 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.38 1xtt s PHE 189 CO 0.11 0.34 0.37 -0.08 0.70 0.00 0.00 175.22 176.65 1xtt s THR 190 N -0.14 0.08 -0.12 0.64 -1.32 -0.83 -1.43 115.64 112.52 1xtt s THR 190 Ca 0.08 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 59.88 1xtt s THR 190 Cb -0.12 -1.16 -0.25 0.00 -1.51 0.00 0.00 72.50 69.46 1xtt s THR 190 CO 0.01 -0.36 0.36 0.52 -2.21 0.00 0.00 174.62 172.94 1xtt n VAL 191 N -0.10 1.73 -3.90 5.08 0.31 -0.18 -0.42 118.33 120.86 1xtt n VAL 191 Ca -0.16 -0.67 -0.10 0.00 -0.01 0.00 0.00 64.34 63.39 1xtt n VAL 191 Cb 0.63 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.87 1xtt n VAL 191 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xtt s ALA 192 N -2.56 -0.18 -0.25 3.52 0.00 -0.66 -4.23 121.76 117.39 1xtt s ALA 192 Ca -0.21 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1xtt s ALA 192 Cb 0.07 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1xtt s ALA 192 CO 0.77 -0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.54 1xtt s ILE 193 N -2.24 2.14 0.20 0.00 1.01 -1.26 -1.43 121.20 119.62 1xtt s ILE 193 Ca -0.08 -1.56 -0.14 0.00 0.00 0.00 0.00 60.65 58.87 1xtt s ILE 193 Cb -0.03 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.14 1xtt s ILE 193 CO -0.03 0.02 0.60 -1.81 0.00 0.00 0.00 174.94 173.73 1xtt s ASP 194 N 1.13 6.82 0.19 3.58 1.01 -0.11 -4.83 116.67 124.45 1xtt s ASP 194 Ca -0.08 1.13 -0.09 0.00 0.71 0.00 0.00 52.55 54.22 1xtt s ASP 194 Cb -0.19 -2.31 0.10 0.00 1.01 0.00 0.00 42.92 41.53 1xtt s ASP 194 CO -0.06 0.02 1.71 1.55 0.21 0.00 0.00 175.17 178.59 1xtt h PRO 195 N 3.16 1.09 -4.86 8.23 0.13 -1.89 -1.10 132.00 136.76 1xtt h PRO 195 Ca -0.48 -0.26 -0.40 0.00 -0.87 0.00 0.00 66.00 63.99 1xtt h PRO 195 Cb 1.19 -0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.03 1xtt h PRO 195 CO 0.66 0.97 -0.56 -1.83 -0.23 0.00 0.00 178.00 177.01 1xtt s GLU 196 N -5.31 1.56 0.08 0.86 -1.05 -1.22 -4.48 118.70 109.15 1xtt s GLU 196 Ca -0.12 -1.89 0.06 0.00 -0.15 0.00 0.00 54.97 52.87 1xtt s GLU 196 Cb 0.14 -0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1xtt s GLU 196 CO 0.84 -0.45 -0.16 -0.51 0.95 0.00 0.00 175.26 175.93 1xtt s LEU 197 N -3.35 2.30 0.56 1.83 1.43 -1.26 -0.81 118.68 119.38 1xtt s LEU 197 Ca 0.36 -0.65 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1xtt s LEU 197 Cb 0.05 -0.62 0.08 0.00 0.03 0.00 0.00 46.19 45.74 1xtt s LEU 197 CO 0.17 -0.05 0.78 0.54 0.23 0.00 0.00 176.35 178.03 1xtt s ASN 198 N -1.85 5.14 0.27 2.29 2.20 -0.28 -4.93 114.94 117.78 1xtt s ASN 198 Ca 0.01 -0.81 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 1xtt s ASN 198 Cb -0.10 0.23 0.62 0.00 -2.00 0.00 0.00 41.25 40.00 1xtt s ASN 198 CO 0.03 -1.31 1.72 0.78 -2.94 0.00 0.00 177.10 175.38 1xtt h ASN 199 N 0.21 0.36 0.94 3.54 4.21 -1.90 0.69 115.58 123.61 1xtt h ASN 199 Ca -0.30 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1xtt h ASN 199 Cb 1.29 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 1xtt h ASN 199 CO 0.41 0.07 0.00 0.11 -1.29 0.00 0.00 177.43 176.73 1xtt h LYS 200 N 0.46 0.00 0.00 0.81 1.79 -1.95 -3.46 116.57 114.22 1xtt h LYS 200 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1xtt h LYS 200 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1xtt h LYS 200 CO -0.47 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.31 1xtt n GLY 201 N 0.09 1.04 3.81 3.86 0.00 0.23 -5.09 105.19 109.14 1xtt n GLY 201 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1xtt n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xtt s TYR 202 N -2.00 3.46 0.06 1.61 1.51 -1.26 -4.67 117.35 116.06 1xtt s TYR 202 Ca 0.00 1.65 -0.25 0.00 -1.01 0.00 0.00 57.07 57.46 1xtt s TYR 202 Cb 0.00 -2.86 -0.06 0.00 -0.11 0.00 0.00 41.96 38.94 1xtt s TYR 202 CO 0.00 0.02 0.78 0.42 -1.11 0.00 0.00 175.55 175.66 1xtt s ILE 203 N -1.96 4.68 -0.09 2.71 1.01 -1.26 -1.12 121.20 125.17 1xtt s ILE 203 Ca 0.57 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.92 1xtt s ILE 203 Cb -0.13 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1xtt s ILE 203 CO 0.17 0.38 -0.21 -0.76 0.00 0.00 0.00 174.94 174.52 1xtt s LEU 204 N -0.16 2.27 0.52 2.97 1.43 0.01 -2.35 118.68 123.37 1xtt s LEU 204 Ca 0.39 -0.46 0.31 0.00 -1.03 0.00 0.00 54.13 53.33 1xtt s LEU 204 Cb -0.21 -1.45 1.12 0.00 0.03 0.00 0.00 46.19 45.67 1xtt s LEU 204 CO 0.24 0.20 1.89 1.55 0.23 0.00 0.00 176.35 180.46 1xtt h PRO 205 N 6.38 0.00 0.00 1.29 0.13 -1.96 -3.23 132.00 134.61 1xtt h PRO 205 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xtt h PRO 205 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xtt h PRO 205 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 1xtt n GLY 206 N 0.30 1.72 0.00 1.56 0.00 -0.99 -4.59 105.19 103.19 1xtt n GLY 206 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1xtt n GLY 206 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xtt n LEU 207 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.72 117.00 112.01 1xtt n LEU 207 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1xtt n LEU 207 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xtt n LEU 207 CO 0.00 0.31 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1xtt n GLY 208 N 0.00 -1.79 3.57 1.47 0.00 -1.26 -4.78 105.19 102.40 1xtt n GLY 208 Ca 0.00 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1xtt n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtt s ASP 209 N -4.00 6.50 0.40 1.61 -1.08 -1.26 -4.90 116.67 113.94 1xtt s ASP 209 Ca 0.00 0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 1xtt s ASP 209 Cb 0.00 -2.49 0.98 0.00 -1.46 0.00 0.00 42.92 39.95 1xtt s ASP 209 CO 0.00 -1.20 1.88 0.00 0.52 0.00 0.00 175.17 176.38 1xtt h ALA 210 N 9.23 2.04 -0.70 3.66 0.00 -1.95 -0.64 119.26 130.89 1xtt h ALA 210 Ca -0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xtt h ALA 210 Cb 1.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1xtt h ALA 210 CO 1.09 -0.28 0.21 0.78 0.00 0.00 0.00 179.25 181.04 1xtt h GLY 211 N 0.51 1.17 1.30 0.00 0.00 -1.91 -1.03 103.07 103.10 1xtt h GLY 211 Ca 0.43 -0.71 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 1xtt h GLY 211 CO -0.17 0.66 -0.66 -1.80 0.00 0.00 0.00 176.54 174.57 1xtt h ASP 212 N 1.03 0.82 -0.23 0.19 3.58 -1.54 -0.56 116.42 119.72 1xtt h ASP 212 Ca 0.22 -0.49 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 1xtt h ASP 212 Cb 0.32 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1xtt h ASP 212 CO -0.00 1.26 -0.01 0.03 -2.88 0.00 0.00 179.24 177.64 1xtt h ARG 213 N 0.52 0.53 0.11 0.28 2.47 -0.97 0.12 114.38 117.43 1xtt h ARG 213 Ca -0.02 -0.11 -0.35 0.00 -1.26 0.00 0.00 59.98 58.24 1xtt h ARG 213 Cb 1.25 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.48 1xtt h ARG 213 CO 0.13 0.56 -1.92 0.00 0.56 0.00 0.00 179.97 179.30 1xtt h ALA 214 N 1.50 0.46 0.00 0.04 0.00 -1.13 -3.30 119.26 116.83 1xtt h ALA 214 Ca 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1xtt h ALA 214 Cb 0.34 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xtt h ALA 214 CO 0.01 1.33 0.00 1.19 0.00 0.00 0.00 179.25 181.78 1xtt n PHE 215 N -3.42 0.00 1.48 0.00 3.01 -0.22 -4.74 117.46 113.57 1xtt n PHE 215 Ca -0.29 -0.37 0.14 0.00 1.01 0.00 0.00 57.45 57.94 1xtt n PHE 215 Cb 1.05 -0.04 0.51 0.00 -0.01 0.00 0.00 39.48 40.99 1xtt n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18