#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1two n PRO 2 N 0.00 0.10 0.18 1.43 -0.04 -1.26 -4.75 135.00 130.67 1two n PRO 2 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 1two n PRO 2 Cb 0.00 0.00 0.81 0.00 -0.04 0.00 0.00 33.50 34.27 1two n PRO 2 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1two h GLU 3 N 0.00 0.00 -0.10 0.54 3.07 -1.88 -1.08 114.58 115.13 1two h GLU 3 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1two h GLU 3 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 1two h GLU 3 CO 0.00 0.00 -0.20 0.82 -1.40 0.00 0.00 179.01 178.23 1two h ILE 4 N 0.00 0.50 -0.00 3.13 1.08 -1.89 0.13 117.51 120.46 1two h ILE 4 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1two h ILE 4 Cb 0.66 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1two h ILE 4 CO -0.00 0.00 -0.00 0.23 -0.69 0.00 0.00 178.15 177.69 1two n MET 5 N -5.34 1.07 -3.80 2.37 2.81 -0.45 -4.57 117.12 109.21 1two n MET 5 Ca -0.03 -0.16 -0.36 0.00 -1.81 0.00 0.00 57.70 55.33 1two n MET 5 Cb 0.25 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.14 1two n MET 5 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1two s LYS 6 N -2.04 2.28 -0.02 0.03 1.02 0.45 -5.00 119.74 116.46 1two s LYS 6 Ca 0.45 -1.52 0.08 0.00 0.02 0.00 0.00 55.97 55.00 1two s LYS 6 Cb 0.22 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1two s LYS 6 CO 0.37 -0.86 -0.25 0.54 -0.92 0.00 0.00 175.35 174.24 1two s ASN 7 N 1.60 3.14 1.44 2.83 4.22 -1.26 -4.73 114.94 122.19 1two s ASN 7 Ca 0.02 -0.46 -0.23 0.00 -2.14 0.00 0.00 52.86 50.06 1two s ASN 7 Cb -0.21 -0.38 0.37 0.00 1.28 0.00 0.00 41.25 42.31 1two s ASN 7 CO -0.02 0.32 0.91 -0.22 -2.04 0.00 0.00 177.10 176.05 1two s LEU 8 N -0.66 -1.27 0.00 3.54 0.20 -1.26 -4.77 118.68 114.45 1two s LEU 8 Ca 0.10 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.85 1two s LEU 8 Cb -0.10 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 1two s LEU 8 CO -0.01 -5.50 0.11 -1.20 -0.29 0.00 0.00 176.35 169.46 1two n SER 9 N -5.74 0.00 -0.01 3.68 7.64 -1.26 -3.38 113.62 114.55 1two n SER 9 Ca 0.12 0.11 -0.02 0.00 1.01 0.00 0.00 58.87 60.09 1two n SER 9 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1two n SER 9 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1two n ASN 10 N -0.16 3.95 -0.43 6.43 4.13 -1.26 -3.90 115.26 124.01 1two n ASN 10 Ca 0.00 -0.01 0.35 0.00 1.68 0.00 0.00 54.58 56.60 1two n ASN 10 Cb 0.00 0.07 0.57 0.00 -1.54 0.00 0.00 39.78 38.88 1two n ASN 10 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1two n ASN 11 N -2.48 0.12 0.00 6.41 4.13 -1.26 0.61 115.26 122.79 1two n ASN 11 Ca -0.04 1.02 -0.00 0.00 1.68 0.00 0.00 54.58 57.23 1two n ASN 11 Cb 0.55 -0.50 -0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1two n ASN 11 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1two n PHE 12 N -4.07 0.00 -0.53 3.10 3.01 -1.26 -4.02 117.46 113.68 1two n PHE 12 Ca 0.33 0.00 0.43 0.00 1.01 0.00 0.00 57.45 59.22 1two n PHE 12 Cb 1.35 -0.01 0.72 0.00 -0.01 0.00 0.00 39.48 41.53 1two n PHE 12 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1two h GLY 13 N -0.02 0.84 0.00 1.37 0.00 -1.55 3.27 103.07 106.98 1two h GLY 13 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1two h GLY 13 CO 0.00 -0.27 -0.03 1.70 0.00 0.00 0.00 176.54 177.94 1two h LYS 14 N 0.04 0.00 -0.54 4.80 3.64 -0.01 -1.99 116.57 122.51 1two h LYS 14 Ca 0.86 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 60.24 1two h LYS 14 Cb 3.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.79 1two h LYS 14 CO -0.28 0.63 0.35 0.00 -2.27 0.00 0.00 179.45 177.88 1two h ALA 15 N -0.38 0.68 -0.77 5.00 0.00 0.36 1.00 119.26 125.14 1two h ALA 15 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1two h ALA 15 Cb 0.64 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1two h ALA 15 CO -0.00 0.12 0.35 0.52 0.00 0.00 0.00 179.25 180.23 1two h MET 16 N 0.72 1.12 -0.10 0.00 2.86 0.56 1.60 114.93 121.69 1two h MET 16 Ca 0.20 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1two h MET 16 Cb -0.08 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1two h MET 16 CO -0.05 0.88 -0.39 0.22 1.06 0.00 0.00 176.91 178.64 1two h ASP 17 N 1.11 0.52 -0.48 1.22 1.82 -0.65 -1.76 116.42 118.19 1two h ASP 17 Ca 0.26 -0.62 -0.12 0.00 -0.39 0.00 0.00 57.03 56.16 1two h ASP 17 Cb 0.15 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1two h ASP 17 CO -0.03 1.05 -0.18 1.56 -1.61 0.00 0.00 179.24 180.04 1two h GLN 18 N 0.02 0.97 -0.78 0.28 4.20 0.13 -2.69 115.11 117.23 1two h GLN 18 Ca -0.02 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 1two h GLN 18 Cb 1.02 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 1two h GLN 18 CO 0.08 1.07 0.45 0.00 -0.67 0.00 0.00 178.83 179.76 1two n LYS 20 N -4.37 0.19 -0.00 0.00 4.81 -0.66 -1.21 118.16 116.91 1two n LYS 20 Ca 0.08 0.16 -0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1two n LYS 20 Cb 0.08 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.63 1two n LYS 20 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1two n ASP 21 N -1.25 0.15 -0.29 3.14 -0.08 0.12 -3.18 116.55 115.15 1two n ASP 21 Ca 0.06 0.02 0.11 0.00 -1.51 0.00 0.00 54.79 53.47 1two n ASP 21 Cb 0.09 -0.23 0.25 0.00 2.34 0.00 0.00 41.12 43.56 1two n ASP 21 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1two h GLU 22 N -0.04 0.16 0.00 -0.67 4.11 0.55 0.49 114.58 119.18 1two h GLU 22 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1two h GLU 22 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1two h GLU 22 CO 0.00 0.10 -1.04 1.28 0.07 0.00 0.00 179.01 179.42 1two n LEU 23 N -5.28 0.81 -1.05 3.06 4.77 -0.35 -4.93 117.00 114.03 1two n LEU 23 Ca 0.19 -0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 1two n LEU 23 Cb 0.63 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1two n LEU 23 CO 0.05 0.19 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.01 1two n SER 24 N -1.61 -3.32 -4.90 -1.43 7.64 0.17 -4.90 113.62 105.26 1two n SER 24 Ca 0.03 0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.87 1two n SER 24 Cb 0.36 -2.89 0.05 0.00 -1.01 0.00 0.00 64.21 60.73 1two n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1two s LEU 25 N -2.80 2.90 -0.16 -3.43 -0.00 -1.24 -4.86 118.68 109.10 1two s LEU 25 Ca 0.00 0.83 -0.29 0.00 -0.00 0.00 0.00 54.13 54.66 1two s LEU 25 Cb 0.00 -3.55 -0.01 0.00 -0.00 0.00 0.00 46.19 42.63 1two s LEU 25 CO 0.00 -1.42 1.27 -2.16 -0.00 0.00 0.00 176.35 174.05 1two s PRO 26 N -5.28 4.23 0.00 1.48 0.04 -1.26 -4.20 135.00 130.02 1two s PRO 26 Ca 0.58 1.67 0.09 0.00 0.04 0.00 0.00 61.00 63.39 1two s PRO 26 Cb -0.11 -3.77 0.53 0.00 0.04 0.00 0.00 34.50 31.19 1two s PRO 26 CO 0.48 -0.71 1.08 -0.40 0.04 0.00 0.00 177.00 177.49 1two n ASP 27 N 6.61 0.00 0.12 6.66 5.75 -1.26 -1.56 116.55 132.87 1two n ASP 27 Ca 0.14 -0.13 -0.24 0.00 -0.01 0.00 0.00 54.79 54.55 1two n ASP 27 Cb 0.45 -0.11 -0.16 0.00 -1.03 0.00 0.00 41.12 40.27 1two n ASP 27 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1two h SER 28 N 0.00 0.78 -0.39 -1.12 4.64 -1.96 -1.74 113.55 113.75 1two h SER 28 Ca 0.00 -0.93 -0.06 0.00 -0.47 0.00 0.00 61.79 60.34 1two h SER 28 Cb 0.03 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1two h SER 28 CO 0.00 1.73 0.06 -0.37 -0.87 0.00 0.00 176.83 177.38 1two h VAL 29 N 0.12 1.22 0.01 0.95 -1.51 -1.69 -1.38 116.25 113.96 1two h VAL 29 Ca -0.28 -0.87 -0.20 0.00 -1.23 0.00 0.00 66.70 64.12 1two h VAL 29 Cb 2.14 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 1two h VAL 29 CO 0.24 0.31 -0.89 1.62 -1.23 0.00 0.00 177.57 177.63 1two h VAL 30 N 0.71 1.53 0.00 7.19 3.04 -1.63 -2.88 116.25 124.21 1two h VAL 30 Ca 0.15 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 63.11 1two h VAL 30 Cb 0.35 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 1two h VAL 30 CO 0.01 0.79 0.00 0.00 -1.01 0.00 0.00 177.57 177.36 1two h ALA 31 N 1.00 1.00 -0.39 3.17 0.00 -0.60 -2.10 119.26 121.34 1two h ALA 31 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1two h ALA 31 Cb 1.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1two h ALA 31 CO 0.13 0.00 -0.06 0.22 0.00 0.00 0.00 179.25 179.54 1two h ASP 32 N 0.00 0.63 -0.53 0.00 3.58 -1.04 -2.74 116.42 116.32 1two h ASP 32 Ca 0.00 -0.16 0.11 0.00 0.42 0.00 0.00 57.03 57.40 1two h ASP 32 Cb 0.38 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.17 1two h ASP 32 CO 0.00 0.75 -0.04 0.25 -2.88 0.00 0.00 179.24 177.31 1two h LEU 33 N 0.61 -0.32 -1.97 2.28 5.85 -1.50 0.62 115.31 120.89 1two h LEU 33 Ca 0.12 0.14 0.24 0.00 0.84 0.00 0.00 57.88 59.21 1two h LEU 33 Cb 0.48 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1two h LEU 33 CO 0.03 -0.12 0.63 1.88 -0.34 0.00 0.00 178.44 180.52 1two h TYR 34 N 0.07 0.00 0.00 1.25 0.05 -1.63 -2.76 116.97 113.96 1two h TYR 34 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1two h TYR 34 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1two h TYR 34 CO -0.37 0.00 -0.08 -0.97 -1.05 0.00 0.00 178.16 175.70 1two h ASN 35 N 0.00 0.00 0.00 3.88 -1.24 0.01 -3.46 115.58 114.77 1two h ASN 35 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.40 1two h ASN 35 Cb 1.65 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.70 1two h ASN 35 CO -0.00 0.18 0.00 0.49 -1.29 0.00 0.00 177.43 176.81 1two n PHE 36 N -2.88 0.00 0.81 0.67 3.72 0.63 -4.99 117.46 115.42 1two n PHE 36 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1two n PHE 36 Cb 0.04 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.76 1two n PHE 36 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 1two n TRP 37 N 0.00 0.49 -0.18 1.38 -0.00 -1.01 -4.30 117.44 113.83 1two n TRP 37 Ca 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.50 57.20 1two n TRP 37 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1two n TRP 37 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1two h LYS 38 N 2.23 -0.18 -0.72 5.87 6.56 -1.87 0.86 116.57 129.32 1two h LYS 38 Ca 0.00 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.70 1two h LYS 38 Cb 0.51 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.16 1two h LYS 38 CO 0.00 -0.12 0.47 0.38 -2.06 0.00 0.00 179.45 178.12 1two h ASP 39 N -0.19 0.55 -0.64 0.86 2.03 -1.89 -3.32 116.42 113.83 1two h ASP 39 Ca 0.21 0.01 -0.36 0.00 -0.73 0.00 0.00 57.03 56.16 1two h ASP 39 Cb 0.54 -0.10 -0.05 0.00 -0.83 0.00 0.00 39.33 38.89 1two h ASP 39 CO -0.64 0.33 1.07 -0.62 -1.03 0.00 0.00 179.24 178.35 1two s ASP 40 N -6.12 5.32 0.65 4.15 -1.08 0.30 -4.93 116.67 114.95 1two s ASP 40 Ca -0.09 -1.35 -0.10 0.00 -0.52 0.00 0.00 52.55 50.49 1two s ASP 40 Cb 0.20 -2.58 -0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1two s ASP 40 CO 0.77 -2.69 1.02 -0.47 0.52 0.00 0.00 175.17 174.31 1two s TYR 41 N 9.71 3.39 0.51 -5.34 5.04 -1.25 -4.77 117.35 124.63 1two s TYR 41 Ca 0.66 0.99 0.46 0.00 -2.44 0.00 0.00 57.07 56.75 1two s TYR 41 Cb -0.03 -2.87 1.61 0.00 0.35 0.00 0.00 41.96 41.03 1two s TYR 41 CO 0.06 -0.94 1.47 1.33 -1.34 0.00 0.00 175.55 176.13 1two n VAL 42 N -2.81 -0.02 -0.38 3.14 0.24 -1.25 0.72 118.33 117.96 1two n VAL 42 Ca 0.06 1.43 0.37 0.00 -2.04 0.00 0.00 64.34 64.16 1two n VAL 42 Cb 0.56 -2.39 0.57 0.00 -1.47 0.00 0.00 33.84 31.11 1two n VAL 42 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1two h MET 43 N 0.00 0.00 0.00 7.34 4.05 -1.96 -1.53 114.93 122.83 1two h MET 43 Ca 0.88 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 60.16 1two h MET 43 Cb 3.48 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 34.26 1two h MET 43 CO -0.05 0.00 -1.47 2.41 0.23 0.00 0.00 176.91 178.02 1two n THR 44 N -3.47 0.47 -3.71 -0.77 -1.04 0.22 -4.94 114.28 101.04 1two n THR 44 Ca 0.31 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.90 1two n THR 44 Cb 1.70 -1.62 -0.14 0.00 -1.82 0.00 0.00 70.33 68.46 1two n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1two s ASP 45 N -5.77 3.76 0.17 8.00 -1.08 -0.62 -4.97 116.67 116.16 1two s ASP 45 Ca -0.12 -2.26 -0.10 0.00 -0.52 0.00 0.00 52.55 49.55 1two s ASP 45 Cb 0.05 -0.95 0.03 0.00 -1.46 0.00 0.00 42.92 40.59 1two s ASP 45 CO 0.15 -0.32 1.60 -0.09 0.52 0.00 0.00 175.17 177.03 1two h ARG 46 N 7.22 1.00 -0.91 4.34 2.43 -1.73 -2.82 114.38 123.90 1two h ARG 46 Ca -0.05 -0.35 0.25 0.00 -0.81 0.00 0.00 59.98 59.02 1two h ARG 46 Cb 0.96 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.30 1two h ARG 46 CO 0.46 1.04 0.36 -0.07 -1.51 0.00 0.00 179.97 180.24 1two h LEU 47 N 0.88 0.21 -1.72 3.80 -0.00 -1.93 1.92 115.31 118.47 1two h LEU 47 Ca 0.15 0.18 0.16 0.00 -0.00 0.00 0.00 57.88 58.37 1two h LEU 47 Cb 0.63 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.44 1two h LEU 47 CO 0.04 -0.11 0.49 0.00 -0.00 0.00 0.00 178.44 178.87 1two h ALA 48 N 1.78 2.29 -0.01 1.53 0.00 -1.85 1.76 119.26 124.76 1two h ALA 48 Ca 0.60 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.32 1two h ALA 48 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1two h ALA 48 CO -0.61 -0.49 -0.82 0.78 0.00 0.00 0.00 179.25 178.11 1two h GLY 49 N 0.27 0.19 1.15 0.00 0.00 0.29 -1.15 103.07 103.81 1two h GLY 49 Ca 0.35 -0.31 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 1two h GLY 49 CO -0.08 0.27 -1.48 0.00 0.00 0.00 0.00 176.54 175.25 1two h ALA 51 N 0.13 0.17 -0.90 0.00 0.00 0.24 0.17 119.26 119.07 1two h ALA 51 Ca -0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1two h ALA 51 Cb 2.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1two h ALA 51 CO 0.25 -0.31 0.51 0.97 0.00 0.00 0.00 179.25 180.66 1two h ILE 52 N 0.14 1.26 -0.71 0.00 -0.00 -1.30 -0.33 117.51 116.56 1two h ILE 52 Ca 0.05 -0.62 -0.01 0.00 -0.00 0.00 0.00 64.86 64.28 1two h ILE 52 Cb 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 36.82 36.85 1two h ILE 52 CO -0.01 0.28 0.42 0.78 -0.00 0.00 0.00 178.15 179.63 1two h ASN 53 N 1.25 0.86 0.73 2.19 4.21 -0.86 0.79 115.58 124.76 1two h ASN 53 Ca 0.32 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.75 1two h ASN 53 Cb 0.01 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 36.99 1two h ASN 53 CO -0.05 0.68 -0.04 0.00 -1.29 0.00 0.00 177.43 176.73 1two h LEU 55 N 0.00 0.67 -0.10 0.00 7.12 0.87 1.67 115.31 125.54 1two h LEU 55 Ca -0.00 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1two h LEU 55 Cb 0.42 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1two h LEU 55 CO 0.01 0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.61 1two n ALA 56 N -2.41 2.03 0.00 1.25 0.00 -0.90 -4.31 120.51 116.17 1two n ALA 56 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1two n ALA 56 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1two n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1two n THR 57 N -1.75 0.00 -3.71 0.00 5.66 0.57 -1.03 114.28 114.01 1two n THR 57 Ca 0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.68 1two n THR 57 Cb 0.29 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.97 1two n THR 57 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1two s LYS 58 N -3.07 2.34 0.47 1.09 2.47 -1.26 -4.90 119.74 116.87 1two s LYS 58 Ca 0.00 -2.14 0.31 0.00 -1.56 0.00 0.00 55.97 52.59 1two s LYS 58 Cb 0.00 -3.71 1.68 0.00 -1.46 0.00 0.00 37.83 34.34 1two s LYS 58 CO 0.00 -1.14 1.96 -0.07 0.16 0.00 0.00 175.35 176.26 1two h LEU 59 N 7.65 0.00 -1.69 5.43 3.38 -1.41 0.23 115.31 128.90 1two h LEU 59 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1two h LEU 59 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1two h LEU 59 CO 0.73 0.00 -0.09 0.44 0.09 0.00 0.00 178.44 179.61 1two h ASP 60 N 0.00 0.00 0.19 -0.43 5.19 -1.86 2.70 116.42 122.21 1two h ASP 60 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1two h ASP 60 Cb 0.03 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.56 1two h ASP 60 CO 0.00 0.09 -1.40 -0.37 -3.12 0.00 0.00 179.24 174.44 1two h VAL 61 N 0.00 1.20 0.11 -1.35 -1.51 -0.90 -3.30 116.25 110.50 1two h VAL 61 Ca -0.00 -2.56 -0.17 0.00 -1.23 0.00 0.00 66.70 62.74 1two h VAL 61 Cb 0.46 2.95 0.01 0.00 -2.13 0.00 0.00 31.29 32.58 1two h VAL 61 CO 0.01 0.78 -0.77 -0.37 -1.23 0.00 0.00 177.57 175.99 1two h VAL 62 N -0.06 1.48 -3.73 7.19 -1.51 -1.45 -3.43 116.25 114.74 1two h VAL 62 Ca -0.26 -2.48 -0.64 0.00 -1.23 0.00 0.00 66.70 62.09 1two h VAL 62 Cb 1.97 3.14 -0.38 0.00 -2.13 0.00 0.00 31.29 33.89 1two h VAL 62 CO 0.19 0.68 -0.79 1.51 -1.23 0.00 0.00 177.57 177.93 1two s ASP 63 N -6.85 4.11 0.07 4.19 -4.77 0.90 -4.76 116.67 109.56 1two s ASP 63 Ca -0.16 -1.29 -0.15 0.00 -3.30 0.00 0.00 52.55 47.65 1two s ASP 63 Cb 0.01 -1.34 -0.21 0.00 -1.09 0.00 0.00 42.92 40.30 1two s ASP 63 CO 0.79 -0.22 1.21 1.55 0.70 0.00 0.00 175.17 179.20 1two h PRO 64 N 7.87 0.68 -0.01 2.11 0.13 -1.73 -3.25 132.00 137.80 1two h PRO 64 Ca -0.18 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1two h PRO 64 Cb 1.06 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1two h PRO 64 CO 0.43 1.26 -0.04 -3.47 -0.23 0.00 0.00 178.00 175.95 1two n ASP 65 N -3.96 1.74 0.00 1.44 2.03 -1.26 -4.96 116.55 111.58 1two n ASP 65 Ca -0.10 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1two n ASP 65 Cb 0.79 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1two n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1two n GLY 66 N 0.64 0.78 0.38 0.27 0.00 -1.25 -5.00 105.19 101.02 1two n GLY 66 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1two n GLY 66 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1two h ASN 67 N 0.00 0.53 -1.29 1.61 -1.24 -1.86 -3.46 115.58 109.88 1two h ASN 67 Ca 0.00 0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.12 1two h ASN 67 Cb 0.00 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1two h ASN 67 CO 0.00 0.25 0.24 0.00 -1.29 0.00 0.00 177.43 176.63 1two n LEU 68 N -4.54 0.00 -3.63 0.34 -0.00 -1.26 -3.90 117.00 104.00 1two n LEU 68 Ca 0.18 -0.52 -0.16 0.00 -0.00 0.00 0.00 56.01 55.50 1two n LEU 68 Cb 0.56 1.05 -0.14 0.00 -0.00 0.00 0.00 43.42 44.88 1two n LEU 68 CO 0.30 -0.17 -0.20 -1.00 -0.00 0.00 0.00 177.39 176.31 1two s HIS 69 N -4.30 -0.27 0.22 1.47 3.76 -1.21 -4.72 115.29 110.24 1two s HIS 69 Ca 0.09 0.63 -0.28 0.00 -0.15 0.00 0.00 55.06 55.35 1two s HIS 69 Cb -0.01 -0.22 -0.16 0.00 1.11 0.00 0.00 32.58 33.30 1two s HIS 69 CO 0.02 -0.36 0.61 1.58 -0.85 0.00 0.00 174.74 175.74 1two n HIS 70 N 5.33 -0.16 0.00 1.40 -0.00 -1.26 -0.05 115.22 120.49 1two n HIS 70 Ca -0.05 0.91 0.00 0.00 0.46 0.00 0.00 57.72 59.04 1two n HIS 70 Cb 0.50 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.35 1two n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1two n GLY 71 N 1.85 1.33 2.67 1.57 0.00 -1.26 -4.68 105.19 106.66 1two n GLY 71 Ca 0.16 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1two n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1two n ASN 72 N 2.53 2.47 -4.72 1.61 2.85 0.93 -4.79 115.26 116.14 1two n ASN 72 Ca 0.00 -3.10 -0.42 0.00 -0.11 0.00 0.00 54.58 50.95 1two n ASN 72 Cb 0.00 -0.70 -0.03 0.00 1.24 0.00 0.00 39.78 40.29 1two n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1two s ALA 73 N -1.44 3.73 1.26 5.20 0.00 -0.66 -3.34 121.76 126.50 1two s ALA 73 Ca 0.30 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 1two s ALA 73 Cb 0.03 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.86 1two s ALA 73 CO -0.14 -0.76 0.99 0.21 0.00 0.00 0.00 175.76 176.07 1two s LYS 74 N 0.89 -1.63 0.00 0.00 2.20 -1.26 -4.71 119.74 115.23 1two s LYS 74 Ca 0.68 0.63 0.15 0.00 -0.36 0.00 0.00 55.97 57.08 1two s LYS 74 Cb -0.43 -1.49 0.87 0.00 -1.51 0.00 0.00 37.83 35.28 1two s LYS 74 CO 0.33 -4.15 1.37 -0.25 -0.36 0.00 0.00 175.35 172.29 1two n ASP 75 N -5.19 0.00 -0.05 1.43 9.92 -1.26 -2.44 116.55 118.96 1two n ASP 75 Ca 0.05 -0.30 -0.21 0.00 -0.53 0.00 0.00 54.79 53.79 1two n ASP 75 Cb 0.56 -0.09 -0.13 0.00 -0.64 0.00 0.00 41.12 40.82 1two n ASP 75 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1two h PHE 76 N 0.00 0.23 0.62 1.24 3.57 -1.88 -3.33 116.94 117.39 1two h PHE 76 Ca 0.00 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1two h PHE 76 Cb 0.05 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.78 1two h PHE 76 CO 0.00 1.56 -0.30 0.00 -2.23 0.00 0.00 178.31 177.34 1two h ALA 77 N -0.22 -0.84 0.00 2.41 0.00 -1.59 0.36 119.26 119.38 1two h ALA 77 Ca -0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1two h ALA 77 Cb 1.58 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1two h ALA 77 CO -0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 179.25 178.32 1two n MET 78 N -5.36 0.95 0.07 0.00 0.00 -1.10 -2.89 117.12 108.79 1two n MET 78 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.46 1two n MET 78 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1two n MET 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1two n LYS 79 N 1.74 0.00 0.00 3.17 0.00 -1.13 -4.52 118.16 117.41 1two n LYS 79 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.44 1two n LYS 79 Cb 0.47 0.00 0.37 0.00 0.00 0.00 0.00 35.03 35.87 1two n LYS 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1two n HIS 80 N -2.83 0.00 -2.68 5.64 1.44 0.10 -3.16 115.22 113.73 1two n HIS 80 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1two n HIS 80 Cb 0.00 -0.28 0.12 0.00 0.12 0.00 0.00 29.99 29.95 1two n HIS 80 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1two n GLY 81 N -0.02 2.03 3.00 -1.39 0.00 -1.14 -5.09 105.19 102.59 1two n GLY 81 Ca 0.07 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1two n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1two s ALA 82 N -0.09 1.12 0.30 4.61 0.00 -1.19 -4.88 121.76 121.62 1two s ALA 82 Ca 0.10 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1two s ALA 82 Cb 0.44 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1two s ALA 82 CO -0.12 0.11 1.25 -0.51 0.00 0.00 0.00 175.76 176.49 1two s ASP 83 N 0.61 6.92 0.48 0.00 1.01 -1.26 -4.71 116.67 119.72 1two s ASP 83 Ca -0.12 2.54 0.32 0.00 0.71 0.00 0.00 52.55 56.00 1two s ASP 83 Cb -0.14 -2.64 1.43 0.00 1.01 0.00 0.00 42.92 42.58 1two s ASP 83 CO 0.03 -0.43 1.71 -0.08 0.21 0.00 0.00 175.17 176.60 1two h GLU 84 N 3.79 0.12 0.00 8.23 4.81 -1.98 0.67 114.58 130.22 1two h GLU 84 Ca -0.48 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.60 1two h GLU 84 Cb 1.22 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1two h GLU 84 CO 0.68 0.08 -0.56 0.00 -0.73 0.00 0.00 179.01 178.48 1two h THR 85 N 0.12 1.45 -0.15 0.32 1.03 -2.01 -3.16 112.91 110.52 1two h THR 85 Ca 0.70 -2.07 0.04 0.00 -0.01 0.00 0.00 66.41 65.07 1two h THR 85 Cb 2.38 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 72.09 1two h THR 85 CO -0.20 0.60 0.21 0.00 -0.01 0.00 0.00 175.52 176.12 1two h MET 86 N -0.17 0.00 0.36 0.00 -0.00 -0.05 1.08 114.93 116.16 1two h MET 86 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1two h MET 86 Cb 1.28 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.85 1two h MET 86 CO 0.11 0.00 -0.46 0.00 -0.00 0.00 0.00 176.91 176.56 1two h ALA 87 N 1.71 -1.07 0.14 -3.00 0.00 -1.16 -1.95 119.26 113.92 1two h ALA 87 Ca 0.07 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 1two h ALA 87 Cb 0.50 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1two h ALA 87 CO -0.00 -1.12 -1.87 1.96 0.00 0.00 0.00 179.25 178.22 1two h GLN 88 N -0.85 0.29 -0.66 0.00 7.50 -1.57 -3.36 115.11 116.47 1two h GLN 88 Ca -0.04 -0.50 0.06 0.00 0.50 0.00 0.00 58.65 58.67 1two h GLN 88 Cb 0.76 0.19 -0.09 0.00 0.05 0.00 0.00 27.48 28.39 1two h GLN 88 CO -0.11 1.24 -0.50 1.96 -1.50 0.00 0.00 178.83 179.92 1two h GLN 89 N 0.02 -0.13 -0.92 1.46 4.20 0.11 0.74 115.11 120.59 1two h GLN 89 Ca -0.39 0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.57 1two h GLN 89 Cb 2.01 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 29.69 1two h GLN 89 CO 0.10 -0.09 0.42 -0.07 -0.67 0.00 0.00 178.83 178.53 1two h LEU 90 N -0.13 0.35 -1.41 1.46 4.07 -1.53 2.52 115.31 120.63 1two h LEU 90 Ca 0.11 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1two h LEU 90 Cb 0.41 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1two h LEU 90 CO -0.69 -0.03 0.21 0.58 -1.08 0.00 0.00 178.44 177.42 1two h VAL 91 N 0.38 0.00 0.01 1.22 2.07 0.34 1.27 116.25 121.54 1two h VAL 91 Ca 0.60 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.12 1two h VAL 91 Cb 1.18 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1two h VAL 91 CO -0.55 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 177.47 1two h ASP 92 N 0.00 -0.01 -0.21 0.57 5.19 0.48 -2.81 116.42 119.64 1two h ASP 92 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1two h ASP 92 Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1two h ASP 92 CO 0.00 0.01 0.05 0.16 -3.12 0.00 0.00 179.24 176.34 1two h ILE 93 N -0.04 1.21 -0.42 0.35 -2.65 -1.39 -1.73 117.51 112.83 1two h ILE 93 Ca -0.00 -0.67 0.12 0.00 1.03 0.00 0.00 64.86 65.34 1two h ILE 93 Cb 0.01 1.25 -0.02 0.00 -2.05 0.00 0.00 36.82 36.01 1two h ILE 93 CO 0.00 0.21 0.47 0.40 0.03 0.00 0.00 178.15 179.26 1two h ILE 94 N 0.15 0.36 0.00 0.16 2.04 0.14 1.36 117.51 121.72 1two h ILE 94 Ca 0.07 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.75 1two h ILE 94 Cb 0.27 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1two h ILE 94 CO 0.00 0.00 -0.81 0.45 0.00 0.00 0.00 178.15 177.79 1two h HIS 95 N 0.00 0.05 0.00 1.37 3.86 -1.04 0.58 115.15 119.97 1two h HIS 95 Ca 0.20 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1two h HIS 95 Cb 1.13 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 1two h HIS 95 CO 0.00 0.83 -1.02 0.78 0.86 0.00 0.00 177.93 179.38 1two h GLY 96 N 2.29 0.00 0.00 2.45 0.00 0.18 -3.16 103.07 104.83 1two h GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1two h GLY 96 CO 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 176.18 1two h GLU 98 N -0.92 0.20 -0.02 0.00 4.57 -0.02 3.41 114.58 121.80 1two h GLU 98 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 1two h GLU 98 Cb 0.47 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1two h GLU 98 CO 0.00 0.13 -0.57 1.57 -1.18 0.00 0.00 179.01 178.97 1two h LYS 99 N 0.21 0.07 -0.00 1.92 5.09 -1.68 -2.73 116.57 119.44 1two h LYS 99 Ca 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.39 1two h LYS 99 Cb 2.11 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.44 1two h LYS 99 CO -0.31 0.62 -0.71 0.45 -2.09 0.00 0.00 179.45 177.40 1two n SER 100 N -3.87 1.04 -3.93 7.07 2.88 0.83 -4.56 113.62 113.08 1two n SER 100 Ca -0.02 -0.88 -0.30 0.00 -1.33 0.00 0.00 58.87 56.35 1two n SER 100 Cb 0.58 0.64 -0.11 0.00 -0.75 0.00 0.00 64.21 64.57 1two n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1two n ALA 101 N -1.18 3.54 -1.53 -1.46 0.00 0.95 -5.04 120.51 115.78 1two n ALA 101 Ca 0.06 -4.56 -0.29 0.00 0.00 0.00 0.00 53.44 48.65 1two n ALA 101 Cb 0.36 -1.18 0.17 0.00 0.00 0.00 0.00 19.45 18.80 1two n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1two s PRO 102 N -1.50 0.53 0.00 0.00 0.04 -1.25 -4.65 135.00 128.17 1two s PRO 102 Ca 0.26 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.34 1two s PRO 102 Cb -0.04 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1two s PRO 102 CO -0.16 -2.57 1.87 -0.35 0.04 0.00 0.00 177.00 175.84 1two n PRO 103 N -3.98 0.96 -1.82 0.56 -0.04 -1.26 -4.47 135.00 124.95 1two n PRO 103 Ca 0.10 -0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 1two n PRO 103 Cb 0.59 -1.34 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 1two n PRO 103 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1two s ASN 104 N 2.07 4.77 0.65 3.54 3.84 -1.26 -4.83 114.94 123.72 1two s ASN 104 Ca 0.14 2.56 0.32 0.00 0.21 0.00 0.00 52.86 56.09 1two s ASN 104 Cb 0.07 -2.61 1.73 0.00 -0.55 0.00 0.00 41.25 39.89 1two s ASN 104 CO 0.00 -1.89 2.01 0.44 -2.79 0.00 0.00 177.10 174.87 1two h ASP 105 N 0.64 0.00 -0.17 -4.21 3.32 -2.05 0.33 116.42 114.28 1two h ASP 105 Ca -0.51 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1two h ASP 105 Cb 1.33 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.83 1two h ASP 105 CO 0.54 0.00 0.10 0.47 -1.72 0.00 0.00 179.24 178.63 1two n ASP 106 N -3.16 2.96 -0.63 6.45 8.00 -1.26 -4.40 116.55 124.51 1two n ASP 106 Ca -0.00 -2.27 0.50 0.00 0.71 0.00 0.00 54.79 53.72 1two n ASP 106 Cb 0.36 -0.56 0.78 0.00 -0.02 0.00 0.00 41.12 41.68 1two n ASP 106 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1two h LYS 107 N 0.26 0.00 -0.20 -1.24 2.10 -0.66 2.15 116.57 118.97 1two h LYS 107 Ca 0.10 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.80 1two h LYS 107 Cb 1.26 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.55 1two h LYS 107 CO 0.19 0.00 -0.09 0.00 -2.00 0.00 0.00 179.45 177.54 1two n MET 109 N -5.25 1.40 0.00 0.00 0.00 0.61 -3.97 117.12 109.92 1two n MET 109 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 57.70 56.64 1two n MET 109 Cb 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1two n MET 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1two n LYS 110 N 0.08 0.00 -0.30 3.17 3.00 0.49 -3.90 118.16 120.70 1two n LYS 110 Ca 0.09 0.02 0.13 0.00 -0.00 0.00 0.00 58.31 58.55 1two n LYS 110 Cb 0.45 -0.28 0.29 0.00 0.00 0.00 0.00 35.03 35.49 1two n LYS 110 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1two h THR 111 N 0.00 0.33 -0.80 3.15 2.02 -1.21 0.53 112.91 116.93 1two h THR 111 Ca 0.00 -0.08 0.19 0.00 0.77 0.00 0.00 66.41 67.29 1two h THR 111 Cb 0.00 0.09 -0.13 0.00 -1.74 0.00 0.00 68.15 66.37 1two h THR 111 CO 0.00 0.04 0.13 -0.29 0.37 0.00 0.00 175.52 175.77 1two h ILE 112 N 0.23 0.37 -0.94 3.11 -0.00 -1.65 0.73 117.51 119.36 1two h ILE 112 Ca 0.55 -0.06 0.28 0.00 -0.00 0.00 0.00 64.86 65.63 1two h ILE 112 Cb 1.10 0.17 -0.16 0.00 -0.00 0.00 0.00 36.82 37.94 1two h ILE 112 CO -0.64 0.03 0.29 -0.78 -0.00 0.00 0.00 178.15 177.06 1two h ASP 113 N 0.18 0.04 0.03 2.19 1.82 -0.04 1.32 116.42 121.96 1two h ASP 113 Ca 0.47 0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 57.32 1two h ASP 113 Cb 0.87 0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1two h ASP 113 CO -0.63 -0.22 -0.02 0.58 -1.61 0.00 0.00 179.24 177.35 1two h VAL 114 N 0.17 1.20 -0.09 2.25 2.07 0.27 0.70 116.25 122.81 1two h VAL 114 Ca 0.63 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1two h VAL 114 Cb 1.37 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1two h VAL 114 CO -0.71 0.38 0.51 0.00 0.02 0.00 0.00 177.57 177.77 1two h ALA 115 N -0.24 1.62 0.00 1.67 0.00 0.14 0.27 119.26 122.72 1two h ALA 115 Ca -0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1two h ALA 115 Cb 0.66 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1two h ALA 115 CO 0.01 -0.56 -2.22 -1.33 0.00 0.00 0.00 179.25 175.15 1two n MET 116 N -2.93 0.85 -0.24 0.00 2.00 0.43 -4.01 117.12 113.21 1two n MET 116 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 57.70 57.72 1two n MET 116 Cb 0.57 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.35 1two n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1two h PHE 118 N -0.14 0.68 -0.15 0.00 3.57 -1.68 -2.02 116.94 117.21 1two h PHE 118 Ca 0.24 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1two h PHE 118 Cb 0.56 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1two h PHE 118 CO -0.71 0.68 -0.13 -0.22 -2.23 0.00 0.00 178.31 175.70 1two h LYS 119 N 0.60 0.23 0.00 1.11 1.63 0.08 -0.82 116.57 119.40 1two h LYS 119 Ca 0.12 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1two h LYS 119 Cb 0.45 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1two h LYS 119 CO 0.02 0.37 -0.16 0.87 -3.45 0.00 0.00 179.45 177.10 1two h LYS 120 N 0.22 0.00 -0.20 1.90 1.79 0.20 -1.27 116.57 119.22 1two h LYS 120 Ca 0.04 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1two h LYS 120 Cb 0.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1two h LYS 120 CO 0.02 0.16 0.17 0.93 -1.08 0.00 0.00 179.45 179.65 1two h GLU 121 N 0.00 0.00 0.25 3.15 4.39 -1.06 -0.06 114.58 121.25 1two h GLU 121 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1two h GLU 121 Cb 0.32 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1two h GLU 121 CO 0.02 0.00 -1.48 0.82 -1.16 0.00 0.00 179.01 177.21 1two h ILE 122 N 0.00 1.28 -0.11 3.13 1.08 -1.33 -3.18 117.51 118.38 1two h ILE 122 Ca 0.09 -2.71 0.03 0.00 -0.39 0.00 0.00 64.86 61.88 1two h ILE 122 Cb 0.44 3.04 -0.00 0.00 -3.07 0.00 0.00 36.82 37.22 1two h ILE 122 CO -0.00 0.82 0.57 1.12 -0.69 0.00 0.00 178.15 179.97 1two h HIS 123 N 0.14 0.00 -0.93 1.37 2.07 -0.95 2.28 115.15 119.14 1two h HIS 123 Ca -0.26 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 56.82 1two h HIS 123 Cb 2.17 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 31.88 1two h HIS 123 CO 0.13 0.00 0.57 0.36 -3.07 0.00 0.00 177.93 175.92 1two n LYS 124 N -2.91 2.50 0.00 5.12 2.85 -1.16 -4.52 118.16 120.05 1two n LYS 124 Ca 0.01 -2.94 0.00 0.00 -1.05 0.00 0.00 58.31 54.33 1two n LYS 124 Cb 0.64 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1two n LYS 124 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1two n LEU 125 N -0.91 0.00 -0.08 -5.58 -0.00 0.77 -4.61 117.00 106.58 1two n LEU 125 Ca 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.48 1two n LEU 125 Cb 1.59 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.88 1two n LEU 125 CO 0.56 0.00 -1.03 -3.20 -0.00 0.00 0.00 177.39 173.72 1two n ASN 126 N 0.00 0.95 -4.67 1.45 5.15 -1.26 -4.96 115.26 111.93 1two n ASN 126 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1two n ASN 126 Cb 0.00 0.92 -0.09 0.00 -0.53 0.00 0.00 39.78 40.08 1two n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1two s TRP 127 N -2.41 3.02 -0.25 1.20 1.48 -1.26 -5.10 118.94 115.62 1two s TRP 127 Ca -0.08 0.04 -0.00 0.00 -1.06 0.00 0.00 56.10 55.00 1two s TRP 127 Cb 0.05 -1.64 0.04 0.00 -1.16 0.00 0.00 33.47 30.76 1two s TRP 127 CO 0.67 0.45 -0.08 0.08 -4.06 0.00 0.00 176.95 174.01 1two s VAL 128 N -1.10 2.63 0.00 -0.66 1.01 -1.26 -4.35 120.40 116.67 1two s VAL 128 Ca 0.20 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1two s VAL 128 Cb -0.11 -2.38 -0.20 0.00 0.00 0.00 0.00 36.38 33.69 1two s VAL 128 CO 0.11 0.14 2.82 -0.81 0.00 0.00 0.00 175.10 177.36 1two n PRO 129 N 4.60 1.48 -0.40 2.72 -0.04 -1.26 -4.53 135.00 137.56 1two n PRO 129 Ca -0.16 -0.74 0.33 0.00 -0.04 0.00 0.00 63.50 62.89 1two n PRO 129 Cb 0.46 -1.86 0.62 0.00 -0.04 0.00 0.00 33.50 32.68 1two n PRO 129 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1two h ASN 130 N 3.72 0.27 -3.58 3.54 -1.24 -1.98 -3.28 115.58 113.04 1two h ASN 130 Ca 0.14 0.10 -0.71 0.00 0.71 0.00 0.00 56.30 56.54 1two h ASN 130 Cb 1.13 0.07 -0.26 0.00 0.73 0.00 0.00 38.32 39.99 1two h ASN 130 CO 0.29 -0.07 -0.52 -0.04 -1.29 0.00 0.00 177.43 175.80 1two s MET 131 N -5.31 2.75 -0.09 6.67 -1.94 -1.26 -5.06 119.30 115.07 1two s MET 131 Ca -0.08 -1.15 0.01 0.00 -1.71 0.00 0.00 55.69 52.76 1two s MET 131 Cb 0.27 -3.69 0.02 0.00 2.01 0.00 0.00 34.83 33.44 1two s MET 131 CO 0.82 -0.73 -0.10 0.34 -0.01 0.00 0.00 175.02 175.33 1two s ASP 132 N 1.59 1.98 -0.50 3.03 2.15 -1.24 -4.44 116.67 119.26 1two s ASP 132 Ca 0.01 -0.31 -0.44 0.00 0.43 0.00 0.00 52.55 52.24 1two s ASP 132 Cb -0.20 -0.84 -0.19 0.00 -0.30 0.00 0.00 42.92 41.39 1two s ASP 132 CO 0.05 -0.04 2.05 0.00 -0.17 0.00 0.00 175.17 177.07 1two n LEU 133 N 4.36 0.87 -0.04 -1.34 -0.00 -1.26 -4.73 117.00 114.86 1two n LEU 133 Ca -0.18 0.76 0.02 0.00 -0.00 0.00 0.00 56.01 56.61 1two n LEU 133 Cb 0.51 -0.91 -0.01 0.00 -0.00 0.00 0.00 43.42 43.01 1two n LEU 133 CO 0.21 -0.78 0.06 0.55 -0.00 0.00 0.00 177.39 177.43 1two n VAL 134 N 6.10 0.00 -0.01 1.47 3.14 -1.26 -4.53 118.33 123.24 1two n VAL 134 Ca 0.51 -0.43 0.07 0.00 -2.96 0.00 0.00 64.34 61.52 1two n VAL 134 Cb -0.04 1.02 -0.12 0.00 -1.06 0.00 0.00 33.84 33.64 1two n VAL 134 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1two n ILE 135 N -0.81 0.08 -2.21 1.55 -0.00 -1.26 -5.00 119.36 111.71 1two n ILE 135 Ca 0.01 -0.38 -0.05 0.00 -0.00 0.00 0.00 62.75 62.33 1two n ILE 135 Cb 0.07 0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1two n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1two n GLY 136 N 1.65 0.27 3.39 3.28 0.00 -1.26 -5.04 105.19 107.48 1two n GLY 136 Ca -0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1two n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1two s GLU 137 N -4.43 1.57 -0.18 1.61 2.02 -1.26 -5.09 118.70 112.93 1two s GLU 137 Ca 0.03 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 52.86 1two s GLU 137 Cb -0.01 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.62 1two s GLU 137 CO 0.03 -0.26 1.83 0.14 0.02 0.00 0.00 175.26 177.01 1two s VAL 138 N -3.50 3.41 0.00 2.63 -7.23 -1.26 -4.01 120.40 110.44 1two s VAL 138 Ca 0.36 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1two s VAL 138 Cb 0.08 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1two s VAL 138 CO 0.15 -0.19 0.00 -0.11 -0.31 0.00 0.00 175.10 174.64 1two n LEU 139 N 9.16 0.00 -4.94 1.32 0.00 -1.26 -5.14 117.00 116.13 1two n LEU 139 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.99 1two n LEU 139 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.88 1two n LEU 139 CO 0.66 0.00 0.37 0.00 0.00 0.00 0.00 177.39 178.42 1two s ALA 140 N 0.00 3.61 -1.04 1.96 0.00 -1.26 -4.96 121.76 120.07 1two s ALA 140 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.78 1two s ALA 140 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1two s ALA 140 CO 0.00 -0.54 1.91 -2.00 0.00 0.00 0.00 175.76 175.13 1two s GLU 141 N -4.71 2.65 0.00 0.00 2.56 -1.26 -4.78 118.70 113.15 1two s GLU 141 Ca 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1two s GLU 141 Cb -0.10 -5.17 0.00 0.00 2.00 0.00 0.00 34.13 30.86 1two s GLU 141 CO 0.40 -3.51 0.00 1.33 -0.56 0.00 0.00 175.26 172.93