#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 0.21 0.16 4.33 -0.04 -1.26 -4.71 135.00 133.68 1two n PRO 2 Ca 0.00 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.65 1two n PRO 2 Cb 0.00 0.00 0.79 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.94 0.54 4.39 -1.91 0.13 114.58 116.79 1two h GLU 3 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1two h GLU 3 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1two h GLU 3 CO 0.00 0.00 0.60 0.82 -1.16 0.00 0.00 179.01 179.27 1two h ILE 4 N 0.00 0.89 -0.04 3.13 1.08 -1.89 0.78 117.51 121.47 1two h ILE 4 Ca 0.13 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1two h ILE 4 Cb 0.77 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1two h ILE 4 CO -0.00 0.16 0.00 0.80 -0.69 0.00 0.00 178.15 178.42 1two n MET 5 N -4.59 1.30 -3.71 2.37 1.56 0.46 -4.63 117.12 109.89 1two n MET 5 Ca 0.18 -0.44 -0.38 0.00 -0.27 0.00 0.00 57.70 56.79 1two n MET 5 Cb 0.39 -1.42 -0.11 0.00 2.15 0.00 0.00 33.22 34.23 1two n MET 5 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1two s LYS 6 N -1.96 2.50 -0.01 2.12 1.02 0.27 -5.02 119.74 118.65 1two s LYS 6 Ca 0.37 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 54.98 1two s LYS 6 Cb 0.18 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1two s LYS 6 CO 0.30 -0.85 -0.12 0.54 -0.92 0.00 0.00 175.35 174.30 1two s ASN 7 N 1.77 1.40 1.37 2.83 4.22 -1.26 -4.91 114.94 120.37 1two s ASN 7 Ca 0.02 -0.22 -0.21 0.00 -2.14 0.00 0.00 52.86 50.31 1two s ASN 7 Cb -0.22 -0.18 0.35 0.00 1.28 0.00 0.00 41.25 42.49 1two s ASN 7 CO 0.01 0.14 0.96 -0.22 -2.04 0.00 0.00 177.10 175.95 1two s LEU 8 N -0.24 -0.72 0.00 3.54 0.20 -1.26 -4.82 118.68 115.39 1two s LEU 8 Ca 0.04 0.91 0.00 0.00 0.69 0.00 0.00 54.13 55.77 1two s LEU 8 Cb -0.05 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.29 1two s LEU 8 CO -0.00 -5.12 0.17 -0.24 -0.29 0.00 0.00 176.35 170.87 1two n SER 9 N -5.48 0.00 0.00 3.68 2.88 -1.26 -3.49 113.62 109.95 1two n SER 9 Ca 0.11 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1two n SER 9 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1two n SER 9 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1two n ASN 10 N -0.27 3.97 -0.50 -3.46 4.13 -1.26 -3.98 115.26 113.88 1two n ASN 10 Ca 0.00 0.00 0.39 0.00 1.68 0.00 0.00 54.58 56.65 1two n ASN 10 Cb 0.00 0.06 0.62 0.00 -1.54 0.00 0.00 39.78 38.93 1two n ASN 10 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1two n ASN 11 N -2.39 0.07 0.00 6.41 5.15 -1.26 0.10 115.26 123.34 1two n ASN 11 Ca 0.00 0.95 -0.01 0.00 -0.60 0.00 0.00 54.58 54.92 1two n ASN 11 Cb 0.48 -0.47 -0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1two n ASN 11 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1two n PHE 12 N -3.89 0.00 -0.43 1.20 7.35 -1.26 -4.02 117.46 116.40 1two n PHE 12 Ca 0.35 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 57.40 1two n PHE 12 Cb 1.50 -0.03 0.67 0.00 0.35 0.00 0.00 39.48 41.96 1two n PHE 12 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1two h GLY 13 N -0.07 0.81 0.04 7.13 0.00 -1.56 2.75 103.07 112.18 1two h GLY 13 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1two h GLY 13 CO 0.00 -0.20 -0.01 1.70 0.00 0.00 0.00 176.54 178.04 1two h LYS 14 N 0.12 -0.02 -0.60 4.80 3.11 0.52 -1.55 116.57 122.96 1two h LYS 14 Ca 0.74 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.60 1two h LYS 14 Cb 2.46 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.66 1two h LYS 14 CO -0.24 0.63 0.37 0.00 -2.81 0.00 0.00 179.45 177.40 1two h ALA 15 N -0.31 0.77 -0.60 5.00 0.00 -0.07 1.34 119.26 125.39 1two h ALA 15 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1two h ALA 15 Cb 0.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1two h ALA 15 CO 0.00 0.12 0.11 0.52 0.00 0.00 0.00 179.25 180.01 1two h MET 16 N 0.74 0.96 -0.02 0.00 2.86 0.46 1.47 114.93 121.39 1two h MET 16 Ca 0.24 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1two h MET 16 Cb -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1two h MET 16 CO -0.09 0.88 -0.11 0.22 1.06 0.00 0.00 176.91 178.87 1two h ASP 17 N 0.91 0.14 -0.60 1.22 3.58 -0.45 -1.85 116.42 119.37 1two h ASP 17 Ca 0.19 -0.65 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 1two h ASP 17 Cb 0.37 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1two h ASP 17 CO 0.01 0.77 0.01 1.56 -2.88 0.00 0.00 179.24 178.71 1two h GLN 18 N -0.49 1.06 -0.66 0.28 4.20 0.18 -2.37 115.11 117.32 1two h GLN 18 Ca -0.01 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1two h GLN 18 Cb 0.76 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1two h GLN 18 CO 0.02 1.03 0.36 0.00 -0.67 0.00 0.00 178.83 179.57 1two n LYS 20 N -4.38 0.15 -0.00 0.00 4.81 -0.70 -1.01 118.16 117.03 1two n LYS 20 Ca 0.06 0.18 -0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1two n LYS 20 Cb 0.10 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.28 0.07 -0.29 3.14 -0.08 0.12 -3.26 116.55 114.98 1two n ASP 21 Ca 0.05 0.01 0.11 0.00 -1.51 0.00 0.00 54.79 53.45 1two n ASP 21 Cb 0.08 -0.20 0.25 0.00 2.34 0.00 0.00 41.12 43.59 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 -0.02 0.18 0.00 -0.67 4.11 0.09 0.46 114.58 118.73 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 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1two h GLU 22 CO 0.00 0.12 -1.06 1.28 0.07 0.00 0.00 179.01 179.42 1two n LEU 23 N -5.26 0.76 -1.11 3.06 4.77 -0.18 -4.93 117.00 114.11 1two n LEU 23 Ca 0.19 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1two n LEU 23 Cb 0.62 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1two n LEU 23 CO 0.06 0.17 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.00 1two n SER 24 N -1.66 -3.19 -4.90 -1.43 7.64 0.16 -4.90 113.62 105.34 1two n SER 24 Ca 0.03 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 1two n SER 24 Cb 0.37 -2.85 0.07 0.00 -1.01 0.00 0.00 64.21 60.79 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 -2.95 2.74 -0.20 -3.43 -0.00 -1.23 -4.86 118.68 108.75 1two s LEU 25 Ca 0.00 0.82 -0.29 0.00 -0.00 0.00 0.00 54.13 54.66 1two s LEU 25 Cb 0.00 -3.46 -0.01 0.00 -0.00 0.00 0.00 46.19 42.72 1two s LEU 25 CO 0.00 -1.61 1.30 -2.16 -0.00 0.00 0.00 176.35 173.87 1two s PRO 26 N -5.41 4.14 0.00 1.48 0.04 -1.26 -4.24 135.00 129.75 1two s PRO 26 Ca 0.60 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1two s PRO 26 Cb -0.11 -3.81 0.61 0.00 0.04 0.00 0.00 34.50 31.23 1two s PRO 26 CO 0.49 -0.84 1.15 -0.40 0.04 0.00 0.00 177.00 177.44 1two n ASP 27 N 6.95 0.00 0.13 6.66 5.75 -1.26 -1.69 116.55 133.08 1two n ASP 27 Ca 0.14 -0.16 -0.24 0.00 -0.01 0.00 0.00 54.79 54.52 1two n ASP 27 Cb 0.45 -0.11 -0.16 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.44 -1.12 4.64 -1.95 -0.33 113.55 115.13 1two h SER 28 Ca 0.00 -0.93 -0.06 0.00 -0.47 0.00 0.00 61.79 60.33 1two h SER 28 Cb 0.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1two h SER 28 CO 0.00 1.74 0.08 -0.37 -0.87 0.00 0.00 176.83 177.41 1two h VAL 29 N 0.14 1.23 0.06 0.95 -1.51 -1.73 -0.42 116.25 114.96 1two h VAL 29 Ca -0.29 -0.88 -0.24 0.00 -1.23 0.00 0.00 66.70 64.06 1two h VAL 29 Cb 2.15 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1two h VAL 29 CO 0.25 0.32 -1.14 -0.37 -1.23 0.00 0.00 177.57 175.40 1two h VAL 30 N 0.76 1.59 0.00 7.19 -1.51 -1.63 -3.09 116.25 119.57 1two h VAL 30 Ca 0.16 -3.23 0.00 0.00 -1.23 0.00 0.00 66.70 62.40 1two h VAL 30 Cb 0.35 2.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1two h VAL 30 CO 0.01 0.93 0.00 0.00 -1.23 0.00 0.00 177.57 177.28 1two h ALA 31 N 0.79 1.00 0.00 5.19 0.00 -0.52 -1.21 119.26 124.51 1two h ALA 31 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1two h ALA 31 Cb 1.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1two h ALA 31 CO 0.16 0.00 -0.19 0.22 0.00 0.00 0.00 179.25 179.45 1two h ASP 32 N 0.00 0.00 -0.48 0.00 1.82 -1.00 -3.20 116.42 113.56 1two h ASP 32 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.74 1two h ASP 32 Cb 0.39 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.30 1two h ASP 32 CO 0.00 0.19 -0.14 -0.07 -1.61 0.00 0.00 179.24 177.60 1two h LEU 33 N 0.00 -0.52 -2.17 2.28 4.07 -1.32 0.91 115.31 118.57 1two h LEU 33 Ca -0.00 0.15 0.01 0.00 0.08 0.00 0.00 57.88 58.12 1two h LEU 33 Cb 0.91 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 1two h LEU 33 CO 0.02 -0.18 0.28 0.22 -1.08 0.00 0.00 178.44 177.70 1two h TYR 34 N -0.03 0.00 0.00 1.13 5.03 -1.73 -2.90 116.97 118.47 1two h TYR 34 Ca 0.23 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1two h TYR 34 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.66 1two h TYR 34 CO -0.43 0.00 0.00 -1.71 -1.32 0.00 0.00 178.16 174.70 1two n ASN 35 N -3.00 0.00 -2.67 -2.11 2.85 0.30 -4.84 115.26 105.80 1two n ASN 35 Ca -0.02 0.29 -0.05 0.00 -0.11 0.00 0.00 54.58 54.70 1two n ASN 35 Cb 0.34 -0.41 0.07 0.00 1.24 0.00 0.00 39.78 41.03 1two n ASN 35 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1two n PHE 36 N -1.91 -0.62 1.27 1.20 1.16 -0.23 -4.98 117.46 113.35 1two n PHE 36 Ca 0.00 -0.73 0.13 0.00 -1.87 0.00 0.00 57.45 54.98 1two n PHE 36 Cb 0.00 1.11 0.35 0.00 -1.61 0.00 0.00 39.48 39.33 1two n PHE 36 CO 0.00 0.00 0.00 1.87 -1.87 0.00 0.00 176.76 176.76 1two n TRP 37 N 1.52 0.00 -0.16 2.97 -0.00 -1.22 -4.29 117.44 116.26 1two n TRP 37 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.40 1two n TRP 37 Cb 0.70 -0.06 -0.07 0.00 -0.00 0.00 0.00 31.31 31.88 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 1.94 -0.33 -0.11 5.87 1.79 -1.85 0.30 116.57 124.19 1two h LYS 38 Ca 0.00 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 1two h LYS 38 Cb 0.57 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1two h LYS 38 CO 0.00 -0.22 -0.36 0.38 -1.08 0.00 0.00 179.45 178.18 1two h ASP 39 N -0.34 0.23 -1.99 0.86 2.03 -1.82 -3.33 116.42 112.06 1two h ASP 39 Ca 0.11 -0.09 -0.50 0.00 -0.73 0.00 0.00 57.03 55.83 1two h ASP 39 Cb 0.58 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.99 1two h ASP 39 CO -0.62 0.58 1.39 -0.62 -1.03 0.00 0.00 179.24 178.94 1two s ASP 40 N -6.88 5.20 0.30 4.15 -1.08 0.11 -4.95 116.67 113.52 1two s ASP 40 Ca -0.05 0.54 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 1two s ASP 40 Cb 0.14 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 1two s ASP 40 CO 0.76 -2.39 0.39 -0.47 0.52 0.00 0.00 175.17 173.98 1two s TYR 41 N 9.34 3.20 0.57 -5.34 5.04 -1.26 -4.85 117.35 124.04 1two s TYR 41 Ca 0.73 -0.16 0.44 0.00 -2.44 0.00 0.00 57.07 55.64 1two s TYR 41 Cb -0.14 -1.79 1.50 0.00 0.35 0.00 0.00 41.96 41.88 1two s TYR 41 CO 0.23 0.20 1.50 0.28 -1.34 0.00 0.00 175.55 176.42 1two h VAL 42 N 1.07 0.01 -0.62 3.14 2.07 -1.93 0.70 116.25 120.70 1two h VAL 42 Ca -0.48 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.22 1two h VAL 42 Cb 1.25 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1two h VAL 42 CO 0.57 0.00 0.95 0.24 0.02 0.00 0.00 177.57 179.35 1two h MET 43 N 0.00 0.00 0.00 1.57 2.86 -1.96 -1.88 114.93 115.52 1two h MET 43 Ca 0.81 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.33 1two h MET 43 Cb 3.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 35.16 1two h MET 43 CO -0.01 0.00 -1.18 2.41 1.06 0.00 0.00 176.91 179.19 1two n THR 44 N -3.15 1.23 -3.72 2.22 -1.04 0.24 -4.99 114.28 105.07 1two n THR 44 Ca 0.13 0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.94 1two n THR 44 Cb 1.15 -1.94 -0.17 0.00 -1.82 0.00 0.00 70.33 67.55 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 -6.20 2.00 0.08 8.00 2.15 -0.71 -5.01 116.67 116.98 1two s ASP 45 Ca -0.21 -0.35 -0.11 0.00 0.43 0.00 0.00 52.55 52.32 1two s ASP 45 Cb 0.05 -0.40 -0.22 0.00 -0.30 0.00 0.00 42.92 42.05 1two s ASP 45 CO 0.29 -0.26 1.18 -0.09 -0.17 0.00 0.00 175.17 176.12 1two h ARG 46 N 8.34 0.55 -0.87 4.34 2.43 -1.87 -3.24 114.38 124.05 1two h ARG 46 Ca -0.17 -0.68 0.22 0.00 -0.81 0.00 0.00 59.98 58.55 1two h ARG 46 Cb 1.13 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 30.76 1two h ARG 46 CO 0.27 1.28 0.32 -0.07 -1.51 0.00 0.00 179.97 180.26 1two h LEU 47 N 0.27 0.19 -1.77 3.80 -0.00 -1.95 1.70 115.31 117.56 1two h LEU 47 Ca -0.14 0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.02 1two h LEU 47 Cb 1.79 0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 42.60 1two h LEU 47 CO 0.21 -0.06 0.37 0.00 -0.00 0.00 0.00 178.44 178.96 1two h ALA 48 N 1.73 2.17 0.00 1.53 0.00 -1.92 2.26 119.26 125.03 1two h ALA 48 Ca 0.55 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 1two h ALA 48 Cb 1.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1two h ALA 48 CO -0.57 -0.30 -0.44 0.78 0.00 0.00 0.00 179.25 178.72 1two h GLY 49 N 0.26 0.00 0.45 0.00 0.00 0.23 -1.47 103.07 102.54 1two h GLY 49 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.29 1two h GLY 49 CO -0.05 0.00 -1.56 0.00 0.00 0.00 0.00 176.54 174.93 1two h ALA 51 N -0.11 0.14 -0.61 0.00 0.00 0.34 -1.98 119.26 117.05 1two h ALA 51 Ca -0.35 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1two h ALA 51 Cb 1.74 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 1two h ALA 51 CO 0.01 -0.26 0.05 0.97 0.00 0.00 0.00 179.25 180.02 1two h ILE 52 N -0.01 0.55 -0.81 0.00 6.09 -1.43 0.31 117.51 122.21 1two h ILE 52 Ca 0.03 -0.06 0.07 0.00 -1.37 0.00 0.00 64.86 63.53 1two h ILE 52 Cb 0.20 0.37 -0.06 0.00 0.47 0.00 0.00 36.82 37.79 1two h ILE 52 CO -0.00 0.03 0.49 0.78 -3.07 0.00 0.00 178.15 176.38 1two h ASN 53 N 0.17 0.74 -0.19 2.19 2.35 -1.50 0.36 115.58 119.70 1two h ASN 53 Ca 0.32 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1two h ASN 53 Cb 0.51 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1two h ASN 53 CO -0.48 0.47 0.15 0.00 -1.65 0.00 0.00 177.43 175.91 1two h LEU 55 N 0.00 0.27 -0.30 0.00 5.85 1.00 1.78 115.31 123.91 1two h LEU 55 Ca 0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1two h LEU 55 Cb 0.38 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1two h LEU 55 CO -0.00 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1two n ALA 56 N -2.57 1.96 0.00 1.25 0.00 0.60 -4.16 120.51 117.59 1two n ALA 56 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1two n ALA 56 Cb 0.65 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.11 0.00 -3.73 0.00 5.66 0.61 -1.09 114.28 113.62 1two n THR 57 Ca 0.04 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.68 1two n THR 57 Cb 0.31 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.99 1two n THR 57 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1two s LYS 58 N -4.63 2.46 0.41 1.09 1.02 -1.26 -4.90 119.74 113.93 1two s LYS 58 Ca 0.00 -2.38 0.25 0.00 0.02 0.00 0.00 55.97 53.86 1two s LYS 58 Cb 0.00 -3.71 1.36 0.00 -0.52 0.00 0.00 37.83 34.96 1two s LYS 58 CO 0.00 -1.16 1.74 -0.07 -0.92 0.00 0.00 175.35 174.95 1two h LEU 59 N 7.25 0.00 -1.45 3.17 4.07 -1.43 0.48 115.31 127.40 1two h LEU 59 Ca -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1two h LEU 59 Cb 0.97 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1two h LEU 59 CO 0.71 0.00 -0.18 0.44 -1.08 0.00 0.00 178.44 178.33 1two h ASP 60 N 0.00 0.00 0.21 -0.43 3.32 -1.86 2.43 116.42 120.09 1two h ASP 60 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1two h ASP 60 Cb 0.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.75 1two h ASP 60 CO 0.00 0.18 -1.20 -0.37 -1.72 0.00 0.00 179.24 176.13 1two h VAL 61 N 0.00 1.38 0.11 -1.35 -1.51 -0.40 -3.21 116.25 111.27 1two h VAL 61 Ca -0.00 -2.63 -0.16 0.00 -1.23 0.00 0.00 66.70 62.68 1two h VAL 61 Cb 0.58 3.12 0.01 0.00 -2.13 0.00 0.00 31.29 32.87 1two h VAL 61 CO 0.02 0.77 -0.71 -0.37 -1.23 0.00 0.00 177.57 176.06 1two h VAL 62 N -0.08 1.52 -3.63 7.19 -1.51 -1.47 -3.43 116.25 114.85 1two h VAL 62 Ca -0.21 -2.49 -0.64 0.00 -1.23 0.00 0.00 66.70 62.13 1two h VAL 62 Cb 1.95 3.19 -0.39 0.00 -2.13 0.00 0.00 31.29 33.91 1two h VAL 62 CO 0.22 0.69 -0.75 1.51 -1.23 0.00 0.00 177.57 178.01 1two s ASP 63 N -6.83 4.40 0.05 4.19 -4.77 0.82 -4.73 116.67 109.80 1two s ASP 63 Ca -0.15 -1.73 -0.16 0.00 -3.30 0.00 0.00 52.55 47.20 1two s ASP 63 Cb 0.00 -1.40 -0.21 0.00 -1.09 0.00 0.00 42.92 40.22 1two s ASP 63 CO 0.79 -0.32 1.19 1.55 0.70 0.00 0.00 175.17 179.08 1two h PRO 64 N 7.79 0.59 -0.03 2.11 0.13 -1.72 -3.28 132.00 137.58 1two h PRO 64 Ca -0.11 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1two h PRO 64 Cb 1.03 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1two h PRO 64 CO 0.48 1.19 0.00 -0.25 -0.23 0.00 0.00 178.00 179.19 1two n ASP 65 N -4.06 1.85 0.00 1.44 8.00 -1.26 -4.95 116.55 117.56 1two n ASP 65 Ca -0.10 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 53.97 1two n ASP 65 Cb 0.74 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1two n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1two n GLY 66 N 0.51 1.07 0.37 0.44 0.00 -1.25 -5.00 105.19 101.33 1two n GLY 66 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.71 -1.68 1.61 -0.00 -1.85 -3.46 115.58 110.92 1two h ASN 67 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 56.30 56.41 1two h ASN 67 Cb 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 1two h ASN 67 CO 0.00 0.34 0.26 0.00 -0.00 0.00 0.00 177.43 178.03 1two n LEU 68 N -4.60 0.00 -3.67 0.34 -0.00 -1.26 -3.80 117.00 104.02 1two n LEU 68 Ca 0.19 -0.89 -0.14 0.00 -0.00 0.00 0.00 56.01 55.17 1two n LEU 68 Cb 0.49 1.55 -0.14 0.00 -0.00 0.00 0.00 43.42 45.32 1two n LEU 68 CO 0.28 -0.30 -0.16 -1.00 -0.00 0.00 0.00 177.39 176.21 1two s HIS 69 N -4.44 -0.36 0.36 1.47 3.76 -1.23 -4.60 115.29 110.25 1two s HIS 69 Ca 0.11 0.88 -0.24 0.00 -0.15 0.00 0.00 55.06 55.65 1two s HIS 69 Cb -0.02 -0.09 -0.14 0.00 1.11 0.00 0.00 32.58 33.45 1two s HIS 69 CO 0.04 -0.33 0.57 -2.39 -0.85 0.00 0.00 174.74 171.77 1two n HIS 70 N 5.30 -0.38 0.00 1.40 1.44 -1.26 -0.61 115.22 121.12 1two n HIS 70 Ca -0.06 0.69 0.00 0.00 -2.01 0.00 0.00 57.72 56.34 1two n HIS 70 Cb 0.50 -2.00 0.00 0.00 0.12 0.00 0.00 29.99 28.60 1two n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1two n GLY 71 N 1.79 1.24 2.55 -1.39 0.00 -1.26 -4.65 105.19 103.48 1two n GLY 71 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 2.49 1.98 -4.72 1.61 5.15 0.22 -4.69 115.26 117.31 1two n ASN 72 Ca 0.00 -3.00 -0.42 0.00 -0.60 0.00 0.00 54.58 50.56 1two n ASN 72 Cb 0.00 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.55 1two n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1two s ALA 73 N -1.35 3.78 1.21 5.20 0.00 -0.45 -3.57 121.76 126.58 1two s ALA 73 Ca 0.32 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1two s ALA 73 Cb 0.06 -3.63 0.30 0.00 0.00 0.00 0.00 23.12 19.85 1two s ALA 73 CO -0.13 -0.81 1.01 0.15 0.00 0.00 0.00 175.76 175.99 1two s LYS 74 N 1.25 -1.32 0.00 0.00 1.02 -1.26 -4.80 119.74 114.63 1two s LYS 74 Ca 0.71 0.70 0.16 0.00 0.02 0.00 0.00 55.97 57.55 1two s LYS 74 Cb -0.44 -1.52 0.97 0.00 -0.52 0.00 0.00 37.83 36.33 1two s LYS 74 CO 0.31 -3.95 1.39 -0.25 -0.92 0.00 0.00 175.35 171.93 1two n ASP 75 N -5.06 0.00 -0.02 2.83 8.00 -1.26 -2.33 116.55 118.72 1two n ASP 75 Ca 0.04 -0.60 -0.21 0.00 0.71 0.00 0.00 54.79 54.73 1two n ASP 75 Cb 0.55 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.52 1two n ASP 75 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1two n PHE 76 N -0.96 1.11 0.39 1.24 -0.00 -1.26 -3.82 117.46 114.16 1two n PHE 76 Ca 0.12 0.24 -0.17 0.00 -0.00 0.00 0.00 57.45 57.65 1two n PHE 76 Cb 0.06 -1.14 -0.08 0.00 -0.00 0.00 0.00 39.48 38.31 1two n PHE 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1two h ALA 77 N 0.03 -1.01 -0.07 3.13 0.00 -1.56 1.70 119.26 121.48 1two h ALA 77 Ca -0.44 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1two h ALA 77 Cb 1.98 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.15 1two h ALA 77 CO 0.05 -0.98 0.06 0.00 0.00 0.00 0.00 179.25 178.38 1two n MET 78 N -5.47 1.11 0.07 0.00 0.00 -1.20 -3.10 117.12 108.54 1two n MET 78 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.34 1two n MET 78 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.54 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 1.30 0.00 0.00 3.17 0.00 -1.09 -4.14 118.16 117.40 1two n LYS 79 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.39 1two n LYS 79 Cb 0.51 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.75 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 -2.82 0.00 -2.05 5.64 1.44 0.58 -2.57 115.22 115.44 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 -0.35 -0.02 0.00 0.12 0.00 0.00 29.99 29.74 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 -0.58 0.78 3.25 -1.39 0.00 -1.18 -5.05 105.19 101.02 1two n GLY 81 Ca 0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.46 0.27 4.61 0.00 -1.06 -4.95 121.76 122.08 1two s ALA 82 Ca 0.03 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1two s ALA 82 Cb 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1two s ALA 82 CO -0.02 -0.10 0.97 -0.51 0.00 0.00 0.00 175.76 176.10 1two s ASP 83 N -3.17 7.49 0.46 0.00 1.01 -1.26 -4.51 116.67 116.68 1two s ASP 83 Ca 0.17 1.98 0.29 0.00 0.71 0.00 0.00 52.55 55.71 1two s ASP 83 Cb 0.03 -2.61 1.38 0.00 1.01 0.00 0.00 42.92 42.73 1two s ASP 83 CO 0.01 0.04 1.70 -0.33 0.21 0.00 0.00 175.17 176.79 1two h GLU 84 N 3.83 0.15 0.11 8.23 5.08 -1.92 0.48 114.58 130.54 1two h GLU 84 Ca -0.46 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 1two h GLU 84 Cb 1.20 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.43 1two h GLU 84 CO 0.67 0.10 -0.69 0.00 -1.00 0.00 0.00 179.01 178.09 1two h THR 85 N 0.16 1.54 -0.81 1.13 1.03 -1.98 -3.29 112.91 110.70 1two h THR 85 Ca 0.71 -2.49 0.11 0.00 -0.01 0.00 0.00 66.41 64.73 1two h THR 85 Cb 2.29 3.21 -0.08 0.00 -1.07 0.00 0.00 68.15 72.50 1two h THR 85 CO -0.27 0.69 0.43 -0.03 -0.01 0.00 0.00 175.52 176.34 1two h MET 86 N -0.50 0.67 -0.53 0.00 1.85 -0.59 1.39 114.93 117.22 1two h MET 86 Ca -0.12 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.02 1two h MET 86 Cb 1.52 -0.15 -0.07 0.00 0.43 0.00 0.00 31.60 33.32 1two h MET 86 CO 0.11 0.45 0.12 0.00 -0.40 0.00 0.00 176.91 177.19 1two h ALA 87 N 1.48 0.61 0.00 0.39 0.00 -0.64 0.88 119.26 121.99 1two h ALA 87 Ca 0.41 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 1two h ALA 87 Cb 0.46 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1two h ALA 87 CO -0.29 -0.29 -0.28 0.37 0.00 0.00 0.00 179.25 178.76 1two h GLN 88 N 0.26 0.19 -0.69 0.00 -0.00 -1.21 -3.28 115.11 110.37 1two h GLN 88 Ca 0.27 -0.20 0.11 0.00 -0.00 0.00 0.00 58.65 58.83 1two h GLN 88 Cb 0.36 0.06 -0.12 0.00 0.00 0.00 0.00 27.48 27.78 1two h GLN 88 CO -0.34 0.94 -0.39 1.96 0.00 0.00 0.00 178.83 181.00 1two h GLN 89 N -0.48 -0.14 -0.82 1.69 1.08 0.23 0.51 115.11 117.18 1two h GLN 89 Ca -0.03 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.38 1two h GLN 89 Cb 1.04 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 28.36 1two h GLN 89 CO 0.05 -0.09 0.13 -0.07 -0.95 0.00 0.00 178.83 177.90 1two h LEU 90 N -0.14 -0.15 -1.36 1.46 4.07 -0.93 2.68 115.31 120.93 1two h LEU 90 Ca 0.24 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1two h LEU 90 Cb 0.56 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1two h LEU 90 CO -0.76 -0.15 0.30 0.58 -1.08 0.00 0.00 178.44 177.32 1two h VAL 91 N 0.17 0.00 0.01 1.22 2.07 -0.03 1.62 116.25 121.31 1two h VAL 91 Ca 0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.00 1two h VAL 91 Cb 0.91 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1two h VAL 91 CO -0.65 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.15 1two h ASP 92 N 0.00 -0.02 -0.18 0.57 3.58 0.49 -2.86 116.42 118.01 1two h ASP 92 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1two h ASP 92 Cb 0.60 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1two h ASP 92 CO 0.00 0.02 -0.00 0.16 -2.88 0.00 0.00 179.24 176.54 1two h ILE 93 N -0.09 1.26 -0.36 2.25 -2.65 -1.28 -2.06 117.51 114.57 1two h ILE 93 Ca -0.00 -0.87 0.11 0.00 1.03 0.00 0.00 64.86 65.12 1two h ILE 93 Cb 0.01 1.48 -0.01 0.00 -2.05 0.00 0.00 36.82 36.25 1two h ILE 93 CO 0.00 0.26 0.47 0.40 0.03 0.00 0.00 178.15 179.31 1two h ILE 94 N 0.07 0.29 0.00 0.16 2.04 0.22 1.72 117.51 122.00 1two h ILE 94 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.76 1two h ILE 94 Cb 0.40 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1two h ILE 94 CO 0.01 0.00 -0.74 0.45 0.00 0.00 0.00 178.15 177.87 1two h HIS 95 N 0.00 0.00 0.00 1.37 3.86 -1.13 0.42 115.15 119.68 1two h HIS 95 Ca 0.17 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.21 1two h HIS 95 Cb 1.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1two h HIS 95 CO 0.00 0.74 -1.57 0.41 0.86 0.00 0.00 177.93 178.37 1two n GLY 96 N 0.90 -1.16 0.04 2.45 0.00 0.51 -3.48 105.19 104.44 1two n GLY 96 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1two n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1two h GLU 98 N -0.49 0.06 0.00 0.00 4.22 -0.33 3.24 114.58 121.27 1two h GLU 98 Ca 0.00 -0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.26 1two h GLU 98 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1two h GLU 98 CO 0.00 0.04 -0.81 1.57 -2.18 0.00 0.00 179.01 177.63 1two h LYS 99 N 0.06 0.04 -0.00 1.92 2.10 -1.62 -3.02 116.57 116.06 1two h LYS 99 Ca 0.68 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 1two h LYS 99 Cb 2.53 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.88 1two h LYS 99 CO -0.10 0.83 -0.67 0.45 -2.00 0.00 0.00 179.45 177.96 1two n SER 100 N -3.61 0.81 -3.92 7.07 2.88 0.92 -4.52 113.62 113.24 1two n SER 100 Ca -0.01 -0.64 -0.30 0.00 -1.33 0.00 0.00 58.87 56.59 1two n SER 100 Cb 0.77 0.53 -0.11 0.00 -0.75 0.00 0.00 64.21 64.66 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 -1.36 3.53 -1.52 -1.46 0.00 0.72 -5.04 120.51 115.38 1two n ALA 101 Ca 0.06 -4.56 -0.29 0.00 0.00 0.00 0.00 53.44 48.64 1two n ALA 101 Cb 0.34 -1.16 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 -1.51 0.52 0.00 0.00 0.04 -1.26 -4.47 135.00 128.32 1two s PRO 102 Ca 0.26 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.35 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 1.90 -0.35 0.04 0.00 0.00 177.00 175.86 1two n PRO 103 N -3.98 0.97 -1.76 0.56 -0.04 -1.26 -4.14 135.00 125.35 1two n PRO 103 Ca 0.10 -0.22 -0.36 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 4.66 0.55 3.54 3.84 -1.26 -4.80 114.94 123.55 1two s ASN 104 Ca 0.15 2.54 0.34 0.00 0.21 0.00 0.00 52.86 56.09 1two s ASN 104 Cb 0.07 -2.61 1.49 0.00 -0.55 0.00 0.00 41.25 39.65 1two s ASN 104 CO 0.00 -1.96 1.82 0.44 -2.79 0.00 0.00 177.10 174.61 1two h ASP 105 N 0.50 0.00 -0.21 -4.21 5.19 -2.05 1.44 116.42 117.07 1two h ASP 105 Ca -0.50 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.81 1two h ASP 105 Cb 1.32 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.78 1two h ASP 105 CO 0.53 0.00 0.12 0.47 -3.12 0.00 0.00 179.24 177.24 1two n ASP 106 N -4.08 2.97 -0.67 6.45 8.00 -1.26 -4.41 116.55 123.54 1two n ASP 106 Ca 0.21 -2.34 0.52 0.00 0.71 0.00 0.00 54.79 53.88 1two n ASP 106 Cb 1.09 -0.57 0.80 0.00 -0.02 0.00 0.00 41.12 42.42 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 0.37 0.00 -0.50 -1.24 2.10 0.17 1.97 116.57 119.44 1two h LYS 107 Ca 0.12 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.87 1two h LYS 107 Cb 1.32 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.57 1two h LYS 107 CO 0.23 0.00 0.02 0.00 -2.00 0.00 0.00 179.45 177.70 1two n MET 109 N -5.21 1.52 0.00 0.00 1.56 0.61 -3.98 117.12 111.61 1two n MET 109 Ca 0.06 -1.03 0.00 0.00 -0.27 0.00 0.00 57.70 56.46 1two n MET 109 Cb 0.27 -1.37 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1two n MET 109 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1two n LYS 110 N 0.12 0.00 -0.28 2.12 3.00 0.22 -3.81 118.16 119.52 1two n LYS 110 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.49 1two n LYS 110 Cb 0.42 -0.27 0.24 0.00 0.00 0.00 0.00 35.03 35.42 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 0.47 -0.73 3.15 2.02 -1.10 0.25 112.91 116.96 1two h THR 111 Ca 0.00 -0.11 0.17 0.00 0.77 0.00 0.00 66.41 67.24 1two h THR 111 Cb 0.00 0.13 -0.13 0.00 -1.74 0.00 0.00 68.15 66.41 1two h THR 111 CO 0.00 0.06 0.02 -0.29 0.37 0.00 0.00 175.52 175.68 1two h ILE 112 N 0.31 0.38 -0.99 3.11 -0.00 -1.65 1.58 117.51 120.25 1two h ILE 112 Ca 0.49 -0.04 0.12 0.00 -0.00 0.00 0.00 64.86 65.43 1two h ILE 112 Cb 0.90 0.25 -0.14 0.00 -0.00 0.00 0.00 36.82 37.82 1two h ILE 112 CO -0.54 0.02 -0.49 -0.67 -0.00 0.00 0.00 178.15 176.47 1two n ASP 113 N -5.32 -0.85 -0.04 2.19 -0.08 0.89 0.20 116.55 113.54 1two n ASP 113 Ca 0.13 1.75 -0.15 0.00 -1.51 0.00 0.00 54.79 55.02 1two n ASP 113 Cb 0.46 -0.31 -0.12 0.00 2.34 0.00 0.00 41.12 43.49 1two n ASP 113 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1two h VAL 114 N 0.00 1.62 -0.89 5.18 3.04 -0.95 0.35 116.25 124.60 1two h VAL 114 Ca 0.25 -2.04 0.26 0.00 -1.01 0.00 0.00 66.70 64.15 1two h VAL 114 Cb 0.50 2.97 -0.04 0.00 -2.01 0.00 0.00 31.29 32.72 1two h VAL 114 CO -0.96 0.55 0.91 0.00 -1.01 0.00 0.00 177.57 177.06 1two h ALA 115 N 0.18 2.73 0.00 3.17 0.00 0.36 0.62 119.26 126.31 1two h ALA 115 Ca -0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1two h ALA 115 Cb 0.98 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1two h ALA 115 CO 0.03 -1.37 -2.19 -1.33 0.00 0.00 0.00 179.25 174.39 1two n MET 116 N -3.55 1.08 -0.31 0.00 2.00 0.52 -4.10 117.12 112.76 1two n MET 116 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 57.70 57.86 1two n MET 116 Cb 1.20 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.99 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 -0.09 0.54 -0.30 0.00 3.57 -1.69 -2.16 116.94 116.82 1two h PHE 118 Ca 0.27 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1two h PHE 118 Cb 0.56 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1two h PHE 118 CO -0.80 0.64 0.21 0.87 -2.23 0.00 0.00 178.31 177.00 1two h LYS 119 N 0.45 0.02 -0.15 1.11 1.79 0.70 0.34 116.57 120.83 1two h LYS 119 Ca 0.08 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 1two h LYS 119 Cb 0.56 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1two h LYS 119 CO 0.04 0.01 -0.32 0.87 -1.08 0.00 0.00 179.45 178.97 1two h LYS 120 N 0.02 0.30 -0.08 3.15 1.57 0.01 -2.24 116.57 119.30 1two h LYS 120 Ca 0.14 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1two h LYS 120 Cb 0.53 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1two h LYS 120 CO -0.00 0.60 0.06 0.93 -0.57 0.00 0.00 179.45 180.46 1two h GLU 121 N 0.26 0.00 -0.72 3.15 4.39 -0.35 -0.27 114.58 121.03 1two h GLU 121 Ca 0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1two h GLU 121 Cb 0.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1two h GLU 121 CO 0.05 0.00 0.24 0.82 -1.16 0.00 0.00 179.01 178.96 1two h ILE 122 N 0.00 1.26 -0.03 3.13 1.08 -1.35 -1.31 117.51 120.28 1two h ILE 122 Ca 0.04 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1two h ILE 122 Cb 0.15 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1two h ILE 122 CO -0.00 0.34 0.54 -0.74 -0.69 0.00 0.00 178.15 177.60 1two h HIS 123 N 1.07 0.00 -0.79 1.37 2.76 -1.11 2.31 115.15 120.76 1two h HIS 123 Ca 0.24 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.08 1two h HIS 123 Cb 0.28 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 29.04 1two h HIS 123 CO 0.02 0.00 0.41 1.63 -1.30 0.00 0.00 177.93 178.70 1two n LYS 124 N -2.81 2.85 0.00 5.26 5.02 -0.49 -4.28 118.16 123.70 1two n LYS 124 Ca -0.01 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 1two n LYS 124 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1two n LYS 124 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1two n LEU 125 N -0.52 0.00 -0.09 -0.35 -0.00 0.78 -4.47 117.00 112.35 1two n LEU 125 Ca 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.36 1two n LEU 125 Cb 1.43 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.69 1two n LEU 125 CO 0.47 0.00 -1.07 -3.20 -0.00 0.00 0.00 177.39 173.60 1two n ASN 126 N 0.00 0.35 -4.70 1.45 5.15 -1.26 -4.89 115.26 111.35 1two n ASN 126 Ca 0.00 0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.69 1two n ASN 126 Cb 0.00 0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 39.83 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 -2.51 3.32 -0.37 1.20 1.48 -1.26 -5.07 118.94 115.72 1two s TRP 127 Ca -0.12 0.21 -0.18 0.00 -1.06 0.00 0.00 56.10 54.96 1two s TRP 127 Cb 0.07 -1.98 0.00 0.00 -1.16 0.00 0.00 33.47 30.40 1two s TRP 127 CO 0.81 0.37 0.51 0.54 -4.06 0.00 0.00 176.95 175.12 1two s VAL 128 N -0.24 5.01 0.00 -0.66 0.11 -1.26 -4.11 120.40 119.24 1two s VAL 128 Ca 0.08 0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1two s VAL 128 Cb -0.12 -3.99 -0.19 0.00 -1.53 0.00 0.00 36.38 30.55 1two s VAL 128 CO 0.01 -0.28 2.76 -0.81 -3.33 0.00 0.00 175.10 173.45 1two n PRO 129 N 5.77 1.45 -0.62 1.54 -0.04 -1.26 -4.55 135.00 137.30 1two n PRO 129 Ca -0.05 -0.70 0.49 0.00 -0.04 0.00 0.00 63.50 63.20 1two n PRO 129 Cb 0.49 -1.82 0.80 0.00 -0.04 0.00 0.00 33.50 32.92 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 3.62 0.02 -3.47 3.54 -1.24 -1.97 -3.27 115.58 112.82 1two h ASN 130 Ca 0.13 0.01 -0.68 0.00 0.71 0.00 0.00 56.30 56.47 1two h ASN 130 Cb 1.11 0.01 -0.18 0.00 0.73 0.00 0.00 38.32 40.00 1two h ASN 130 CO 0.28 -0.02 -0.05 0.00 -1.29 0.00 0.00 177.43 176.35 1two s MET 131 N -4.92 3.15 -0.12 6.67 0.23 -1.26 -5.02 119.30 118.02 1two s MET 131 Ca -0.05 -0.71 -0.00 0.00 -1.03 0.00 0.00 55.69 53.90 1two s MET 131 Cb 0.26 -4.00 0.03 0.00 -1.53 0.00 0.00 34.83 29.59 1two s MET 131 CO 0.87 -1.01 -0.07 0.16 -2.03 0.00 0.00 175.02 172.94 1two s ASP 132 N 2.13 2.32 -0.50 -1.18 1.47 -1.24 -4.01 116.67 115.66 1two s ASP 132 Ca 0.16 -0.38 -0.43 0.00 1.18 0.00 0.00 52.55 53.08 1two s ASP 132 Cb -0.17 -0.87 -0.19 0.00 -0.34 0.00 0.00 42.92 41.35 1two s ASP 132 CO 0.14 -0.13 2.15 0.00 0.68 0.00 0.00 175.17 178.02 1two n LEU 133 N 4.92 0.80 -0.07 2.11 -0.00 -1.26 -4.71 117.00 118.80 1two n LEU 133 Ca -0.13 0.66 0.02 0.00 -0.00 0.00 0.00 56.01 56.56 1two n LEU 133 Cb 0.50 -0.92 -0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1two n LEU 133 CO 0.17 -0.77 0.13 0.55 -0.00 0.00 0.00 177.39 177.47 1two n VAL 134 N 6.55 0.00 -0.01 1.47 3.14 -1.26 -4.52 118.33 123.70 1two n VAL 134 Ca 0.55 -0.46 0.07 0.00 -2.96 0.00 0.00 64.34 61.54 1two n VAL 134 Cb -0.03 1.03 -0.11 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.51 0.03 -1.29 1.55 -0.00 -1.26 -4.99 119.36 112.89 1two n ILE 135 Ca 0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1two n ILE 135 Cb 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 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 1.68 0.44 3.61 3.28 0.00 -1.26 -5.05 105.19 107.89 1two n GLY 136 Ca -0.03 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.60 1.96 -0.22 1.61 2.02 -1.26 -5.09 118.70 115.11 1two s GLU 137 Ca 0.00 -2.17 -0.29 0.00 0.02 0.00 0.00 54.97 52.53 1two s GLU 137 Cb 0.00 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1two s GLU 137 CO 0.00 -0.25 1.28 0.54 0.02 0.00 0.00 175.26 176.85 1two s VAL 138 N -2.98 4.21 0.00 2.63 0.11 -1.26 -4.25 120.40 118.87 1two s VAL 138 Ca 0.24 1.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.72 1two s VAL 138 Cb 0.06 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1two s VAL 138 CO 0.12 -0.28 0.00 -0.11 -3.33 0.00 0.00 175.10 171.50 1two n LEU 139 N 7.08 0.00 -4.89 2.54 0.00 -1.26 -5.14 117.00 115.33 1two n LEU 139 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.94 1two n LEU 139 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.85 1two n LEU 139 CO 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 177.39 177.90 1two s ALA 140 N 0.00 3.84 -0.92 1.96 0.00 -1.26 -5.01 121.76 120.36 1two s ALA 140 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 51.96 50.26 1two s ALA 140 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1two s ALA 140 CO 0.00 0.13 1.87 -2.00 0.00 0.00 0.00 175.76 175.77 1two s GLU 141 N -3.97 2.71 0.00 0.00 2.56 -1.26 -4.64 118.70 114.10 1two s GLU 141 Ca 0.37 -0.41 0.00 0.00 0.00 0.00 0.00 54.97 54.93 1two s GLU 141 Cb -0.08 -5.11 0.00 0.00 2.00 0.00 0.00 34.13 30.95 1two s GLU 141 CO 0.27 -3.21 0.46 1.33 -0.56 0.00 0.00 175.26 173.55