#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 0.12 0.30 1.43 -0.04 -1.26 -4.76 135.00 130.79 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 0.98 0.00 -0.04 0.00 0.00 33.50 34.44 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 -0.91 0.54 4.39 -1.88 -0.70 114.58 116.02 1two h GLU 3 Ca 0.00 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1two h GLU 3 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 1two h GLU 3 CO 0.00 0.00 0.50 0.82 -1.16 0.00 0.00 179.01 179.17 1two h ILE 4 N 0.00 0.73 0.00 3.13 1.08 -1.89 1.31 117.51 121.88 1two h ILE 4 Ca 0.03 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1two h ILE 4 Cb 0.34 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1two h ILE 4 CO -0.00 0.13 0.00 0.80 -0.69 0.00 0.00 178.15 178.39 1two n MET 5 N -4.82 0.77 -3.85 2.37 1.56 -0.27 -4.40 117.12 108.47 1two n MET 5 Ca 0.19 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.32 1two n MET 5 Cb 0.47 -1.49 -0.15 0.00 2.15 0.00 0.00 33.22 34.20 1two n MET 5 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1two s LYS 6 N -2.00 1.16 -0.02 2.12 2.47 0.45 -5.00 119.74 118.93 1two s LYS 6 Ca 0.36 -1.07 0.07 0.00 -1.56 0.00 0.00 55.97 53.76 1two s LYS 6 Cb 0.16 -2.42 -0.02 0.00 -1.46 0.00 0.00 37.83 34.10 1two s LYS 6 CO 0.28 -0.78 -0.22 0.54 0.16 0.00 0.00 175.35 175.33 1two s ASN 7 N 1.46 2.54 1.02 1.43 4.22 -1.26 -4.84 114.94 119.52 1two s ASN 7 Ca 0.03 -0.39 -0.01 0.00 -2.14 0.00 0.00 52.86 50.34 1two s ASN 7 Cb -0.18 -0.29 0.02 0.00 1.28 0.00 0.00 41.25 42.08 1two s ASN 7 CO -0.13 0.27 0.08 0.00 -2.04 0.00 0.00 177.10 175.27 1two n LEU 8 N 2.55 0.00 0.00 3.54 -0.00 -1.26 -5.00 117.00 116.83 1two n LEU 8 Ca -0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 1two n LEU 8 Cb 0.52 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1two n LEU 8 CO 0.24 -1.12 0.00 -0.24 -0.00 0.00 0.00 177.39 176.26 1two n SER 9 N -3.14 0.00 0.00 1.45 2.88 -1.26 -4.53 113.62 109.03 1two n SER 9 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1two n SER 9 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.00 4.43 -0.11 -3.46 5.03 -1.26 -4.29 115.26 115.59 1two n ASN 10 Ca 0.00 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.54 1two n ASN 10 Cb 0.00 0.39 0.17 0.00 -1.02 0.00 0.00 39.78 39.32 1two n ASN 10 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1two n ASN 11 N -1.94 0.07 -0.01 6.41 0.23 -1.26 0.13 115.26 118.88 1two n ASN 11 Ca 0.00 0.57 -0.03 0.00 -0.53 0.00 0.00 54.58 54.59 1two n ASN 11 Cb 0.46 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.89 1two n ASN 11 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1two n PHE 12 N -3.94 0.00 -0.51 -2.53 3.01 -1.26 -3.89 117.46 108.35 1two n PHE 12 Ca 0.11 0.00 0.42 0.00 1.01 0.00 0.00 57.45 58.99 1two n PHE 12 Cb 0.38 -0.16 0.70 0.00 -0.01 0.00 0.00 39.48 40.39 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 -0.32 1.08 0.89 1.37 0.00 -1.62 1.67 103.07 106.14 1two h GLY 13 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 46.99 1two h GLY 13 CO 0.00 -0.36 -1.17 1.70 0.00 0.00 0.00 176.54 176.70 1two h LYS 14 N 0.03 0.39 -0.34 4.80 3.64 0.77 -0.32 116.57 125.54 1two h LYS 14 Ca 0.87 -0.67 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1two h LYS 14 Cb 2.94 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 34.97 1two h LYS 14 CO -0.36 1.32 0.11 0.00 -2.27 0.00 0.00 179.45 178.25 1two h ALA 15 N 0.09 0.39 -0.15 5.00 0.00 0.23 1.48 119.26 126.30 1two h ALA 15 Ca -0.21 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1two h ALA 15 Cb 1.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1two h ALA 15 CO 0.19 -0.28 -0.72 0.00 0.00 0.00 0.00 179.25 178.44 1two h MET 16 N 0.25 0.68 -0.64 0.00 -0.00 -0.05 0.47 114.93 115.65 1two h MET 16 Ca 0.15 -0.52 -0.09 0.00 -0.00 0.00 0.00 59.70 59.24 1two h MET 16 Cb 0.13 0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 31.81 1two h MET 16 CO -0.16 1.14 0.03 0.22 -0.00 0.00 0.00 176.91 178.15 1two h ASP 17 N 0.48 1.07 -0.20 -0.10 1.82 -0.51 0.22 116.42 119.20 1two h ASP 17 Ca -0.03 -0.29 -0.15 0.00 -0.39 0.00 0.00 57.03 56.17 1two h ASP 17 Cb 1.32 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1two h ASP 17 CO 0.14 1.10 -0.46 1.56 -1.61 0.00 0.00 179.24 179.97 1two h GLN 18 N 1.01 0.66 -0.81 0.28 4.20 0.21 -3.09 115.11 117.56 1two h GLN 18 Ca 0.18 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1two h GLN 18 Cb 0.53 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1two h GLN 18 CO 0.03 1.06 0.39 0.00 -0.67 0.00 0.00 178.83 179.64 1two n LYS 20 N -4.35 0.08 0.00 0.00 4.81 0.75 0.22 118.16 119.69 1two n LYS 20 Ca 0.08 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1two n LYS 20 Cb 0.14 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.31 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 -1.96 0.00 -0.09 3.14 -0.08 0.29 -3.26 116.55 114.59 1two n ASP 21 Ca -0.01 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.36 1two n ASP 21 Cb 0.12 -0.24 0.44 0.00 2.34 0.00 0.00 41.12 43.78 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 0.00 0.52 0.00 -0.67 4.11 0.17 0.25 114.58 118.96 1two h GLU 22 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1two h GLU 22 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1two h GLU 22 CO 0.00 0.34 -1.12 1.28 0.07 0.00 0.00 179.01 179.59 1two n LEU 23 N -4.48 0.71 -1.30 3.06 7.99 0.60 -4.93 117.00 118.67 1two n LEU 23 Ca 0.09 -0.28 -0.06 0.00 -0.01 0.00 0.00 56.01 55.75 1two n LEU 23 Cb 0.27 -0.04 -0.02 0.00 -0.11 0.00 0.00 43.42 43.51 1two n LEU 23 CO 0.34 0.16 -0.06 -1.20 -1.51 0.00 0.00 177.39 175.12 1two n SER 24 N -1.71 -1.59 -4.96 -1.43 7.64 0.21 -4.87 113.62 106.91 1two n SER 24 Ca 0.02 0.16 -0.23 0.00 1.01 0.00 0.00 58.87 59.84 1two n SER 24 Cb 0.39 -1.73 0.04 0.00 -1.01 0.00 0.00 64.21 61.89 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 -3.01 3.29 -0.15 -3.43 -0.00 -1.18 -4.90 118.68 109.30 1two s LEU 25 Ca 0.00 0.17 -0.29 0.00 -0.00 0.00 0.00 54.13 54.01 1two s LEU 25 Cb 0.00 -3.02 -0.02 0.00 -0.00 0.00 0.00 46.19 43.16 1two s LEU 25 CO 0.00 -1.10 1.27 -2.16 -0.00 0.00 0.00 176.35 174.36 1two s PRO 26 N -4.80 4.25 0.00 1.48 0.04 -1.26 -4.06 135.00 130.65 1two s PRO 26 Ca 0.55 1.68 0.11 0.00 0.04 0.00 0.00 61.00 63.39 1two s PRO 26 Cb -0.10 -3.74 0.65 0.00 0.04 0.00 0.00 34.50 31.34 1two s PRO 26 CO 0.40 -0.68 1.12 -0.40 0.04 0.00 0.00 177.00 177.48 1two n ASP 27 N 6.44 0.00 0.11 6.66 5.75 -1.26 -1.70 116.55 132.55 1two n ASP 27 Ca 0.14 -0.29 -0.24 0.00 -0.01 0.00 0.00 54.79 54.39 1two n ASP 27 Cb 0.45 -0.03 -0.15 0.00 -1.03 0.00 0.00 41.12 40.35 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 0.74 -0.65 -1.12 4.64 -1.96 -1.79 113.55 113.42 1two h SER 28 Ca 0.00 -0.92 -0.02 0.00 -0.47 0.00 0.00 61.79 60.39 1two h SER 28 Cb 0.01 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1two h SER 28 CO 0.00 1.74 0.34 -0.37 -0.87 0.00 0.00 176.83 177.68 1two h VAL 29 N 0.13 1.21 0.04 0.95 -1.51 -1.73 -0.61 116.25 114.72 1two h VAL 29 Ca -0.30 -0.55 -0.22 0.00 -1.23 0.00 0.00 66.70 64.40 1two h VAL 29 Cb 2.14 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1two h VAL 29 CO 0.23 0.24 -1.00 1.62 -1.23 0.00 0.00 177.57 177.44 1two h VAL 30 N 0.94 1.53 0.00 7.19 3.04 -1.64 -2.92 116.25 124.39 1two h VAL 30 Ca 0.23 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 63.07 1two h VAL 30 Cb 0.06 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1two h VAL 30 CO -0.03 0.83 0.00 0.00 -1.01 0.00 0.00 177.57 177.36 1two n ALA 31 N -2.47 1.59 0.08 3.17 0.00 -0.67 -1.73 120.51 120.47 1two n ALA 31 Ca -0.04 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1two n ALA 31 Cb 0.89 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 19.11 1two n ALA 31 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1two h ASP 32 N 0.00 0.31 -0.79 0.00 1.82 -0.94 -2.85 116.42 113.97 1two h ASP 32 Ca 0.00 -0.18 0.15 0.00 -0.39 0.00 0.00 57.03 56.61 1two h ASP 32 Cb 0.30 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.16 1two h ASP 32 CO 0.00 0.85 0.52 0.25 -1.61 0.00 0.00 179.24 179.25 1two h LEU 33 N 0.20 0.46 -1.25 2.28 5.85 -1.46 0.17 115.31 121.57 1two h LEU 33 Ca -0.01 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1two h LEU 33 Cb 1.12 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1two h LEU 33 CO 0.10 0.24 0.60 1.88 -0.34 0.00 0.00 178.44 180.91 1two h TYR 34 N 0.49 0.84 0.00 1.25 0.05 -1.64 -3.22 116.97 114.74 1two h TYR 34 Ca 0.39 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.20 1two h TYR 34 Cb 0.82 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1two h TYR 34 CO -0.00 0.26 0.00 0.27 -1.05 0.00 0.00 178.16 177.64 1two n ASN 35 N -4.61 0.00 0.00 3.88 0.23 0.46 -4.74 115.26 110.48 1two n ASN 35 Ca 0.20 0.32 0.00 0.00 -0.53 0.00 0.00 54.58 54.56 1two n ASN 35 Cb 0.55 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1two n ASN 35 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1two n PHE 36 N -2.07 0.00 0.17 -2.53 3.72 -0.43 -4.99 117.46 111.33 1two n PHE 36 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1two n PHE 36 Cb 0.00 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.76 1two n PHE 36 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1two n TRP 37 N 0.00 0.98 0.14 1.38 -0.00 -1.10 -4.32 117.44 114.52 1two n TRP 37 Ca 0.00 -0.38 -0.14 0.00 -0.00 0.00 0.00 57.50 56.99 1two n TRP 37 Cb 0.00 -0.20 -0.07 0.00 -0.00 0.00 0.00 31.31 31.04 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 2.47 -0.58 -0.37 -2.67 6.56 -1.88 -0.57 116.57 119.52 1two h LYS 38 Ca 0.00 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1two h LYS 38 Cb 1.06 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.83 1two h LYS 38 CO 0.17 -0.39 0.25 0.38 -2.06 0.00 0.00 179.45 177.81 1two h ASP 39 N -0.60 0.40 -0.58 0.86 2.03 -1.88 -3.35 116.42 113.30 1two h ASP 39 Ca 0.01 -0.01 -0.30 0.00 -0.73 0.00 0.00 57.03 56.01 1two h ASP 39 Cb 0.60 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.96 1two h ASP 39 CO -0.16 0.28 0.86 -0.62 -1.03 0.00 0.00 179.24 178.58 1two s ASP 40 N -6.70 5.02 0.46 4.15 -1.08 -0.22 -4.92 116.67 113.38 1two s ASP 40 Ca -0.08 -1.14 -0.00 0.00 -0.52 0.00 0.00 52.55 50.81 1two s ASP 40 Cb 0.18 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1two s ASP 40 CO 0.72 -2.98 0.69 -0.47 0.52 0.00 0.00 175.17 173.65 1two s TYR 41 N 10.79 3.25 0.57 -5.34 5.04 -1.26 -4.86 117.35 125.55 1two s TYR 41 Ca 0.70 0.29 0.43 0.00 -2.44 0.00 0.00 57.07 56.05 1two s TYR 41 Cb -0.04 -2.32 1.49 0.00 0.35 0.00 0.00 41.96 41.44 1two s TYR 41 CO 0.07 -0.37 1.50 -0.39 -1.34 0.00 0.00 175.55 175.02 1two h VAL 42 N 0.37 0.02 -1.61 3.14 -1.51 -1.87 0.30 116.25 115.09 1two h VAL 42 Ca -0.46 0.00 0.47 0.00 -1.23 0.00 0.00 66.70 65.47 1two h VAL 42 Cb 1.25 0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 30.36 1two h VAL 42 CO 0.58 0.00 1.26 0.80 -1.23 0.00 0.00 177.57 178.98 1two n MET 43 N -3.73 0.00 -0.04 5.19 0.00 -1.26 -1.68 117.12 115.60 1two n MET 43 Ca 0.38 0.98 -0.09 0.00 0.00 0.00 0.00 57.70 58.97 1two n MET 43 Cb 1.85 -2.30 -0.03 0.00 0.00 0.00 0.00 33.22 32.74 1two n MET 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1two n THR 44 N -3.59 0.80 -3.76 1.12 -1.04 0.11 -4.98 114.28 102.94 1two n THR 44 Ca 0.36 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 62.08 1two n THR 44 Cb 1.75 -1.71 -0.16 0.00 -1.82 0.00 0.00 70.33 68.38 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 -5.94 3.28 0.14 8.00 2.15 -0.68 -5.00 116.67 118.61 1two s ASP 45 Ca -0.13 -1.04 -0.15 0.00 0.43 0.00 0.00 52.55 51.65 1two s ASP 45 Cb 0.04 -0.72 0.02 0.00 -0.30 0.00 0.00 42.92 41.96 1two s ASP 45 CO 0.18 -0.32 1.69 -0.09 -0.17 0.00 0.00 175.17 176.45 1two h ARG 46 N 8.18 0.68 -0.88 4.34 2.43 -1.84 -2.55 114.38 124.74 1two h ARG 46 Ca -0.16 -0.13 0.23 0.00 -0.81 0.00 0.00 59.98 59.11 1two h ARG 46 Cb 1.09 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.40 1two h ARG 46 CO 0.38 0.62 0.33 -0.07 -1.51 0.00 0.00 179.97 179.72 1two h LEU 47 N 0.59 0.19 -1.73 3.80 -0.00 -1.94 1.74 115.31 117.95 1two h LEU 47 Ca 0.15 0.17 0.14 0.00 -0.00 0.00 0.00 57.88 58.35 1two h LEU 47 Cb 0.20 0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 41.02 1two h LEU 47 CO -0.01 -0.08 0.45 0.00 -0.00 0.00 0.00 178.44 178.80 1two h ALA 48 N 1.74 2.24 0.01 1.53 0.00 -1.78 1.72 119.26 124.72 1two h ALA 48 Ca 0.56 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.23 1two h ALA 48 Cb 1.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1two h ALA 48 CO -0.58 -0.42 -1.13 0.78 0.00 0.00 0.00 179.25 177.90 1two h GLY 49 N 0.27 0.03 1.23 0.00 0.00 0.25 -3.04 103.07 101.81 1two h GLY 49 Ca 0.32 -0.08 -0.30 0.00 0.00 0.00 0.00 47.33 47.27 1two h GLY 49 CO -0.07 0.07 -1.24 0.00 0.00 0.00 0.00 176.54 175.30 1two h ALA 51 N 0.29 0.39 -0.23 0.00 0.00 0.23 1.52 119.26 121.46 1two h ALA 51 Ca -0.19 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1two h ALA 51 Cb 1.91 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1two h ALA 51 CO 0.24 -0.33 0.11 0.97 0.00 0.00 0.00 179.25 180.24 1two h ILE 52 N 0.20 1.15 -0.48 0.00 6.09 -1.58 0.16 117.51 123.05 1two h ILE 52 Ca 0.17 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1two h ILE 52 Cb 0.20 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.47 1two h ILE 52 CO -0.23 0.14 0.32 0.78 -3.07 0.00 0.00 178.15 176.09 1two h ASN 53 N 0.24 0.55 0.41 2.19 4.21 -0.75 0.96 115.58 123.39 1two h ASN 53 Ca 0.08 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1two h ASN 53 Cb 0.13 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1two h ASN 53 CO -0.01 0.40 -0.04 0.00 -1.29 0.00 0.00 177.43 176.49 1two h LEU 55 N 0.00 0.32 -0.26 0.00 5.85 0.20 1.87 115.31 123.29 1two h LEU 55 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1two h LEU 55 Cb 0.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1two h LEU 55 CO 0.01 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 1two n ALA 56 N -2.55 1.77 0.00 1.25 0.00 -0.61 -4.14 120.51 116.22 1two n ALA 56 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1two n ALA 56 Cb 0.66 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.83 0.00 -3.72 0.00 5.66 0.64 -1.22 114.28 113.81 1two n THR 57 Ca 0.03 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.67 1two n THR 57 Cb 0.23 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.90 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 -4.00 2.35 0.42 1.09 -0.14 -1.26 -4.90 119.74 113.30 1two s LYS 58 Ca 0.00 -2.19 0.27 0.00 -1.36 0.00 0.00 55.97 52.69 1two s LYS 58 Cb 0.00 -3.70 1.46 0.00 -1.68 0.00 0.00 37.83 33.91 1two s LYS 58 CO 0.00 -1.14 1.81 -0.07 -0.76 0.00 0.00 175.35 175.19 1two h LEU 59 N 7.55 0.00 -1.31 3.17 4.07 -1.50 0.46 115.31 127.75 1two h LEU 59 Ca -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1two h LEU 59 Cb 1.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1two h LEU 59 CO 0.72 0.00 -0.13 0.44 -1.08 0.00 0.00 178.44 178.39 1two h ASP 60 N 0.00 0.00 0.19 -0.43 3.32 -1.86 2.15 116.42 119.78 1two h ASP 60 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1two h ASP 60 Cb 0.08 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.65 1two h ASP 60 CO 0.00 0.13 -1.38 -0.37 -1.72 0.00 0.00 179.24 175.90 1two h VAL 61 N 0.00 1.21 0.11 -1.35 -1.51 -0.45 -3.25 116.25 111.02 1two h VAL 61 Ca -0.00 -2.56 -0.16 0.00 -1.23 0.00 0.00 66.70 62.74 1two h VAL 61 Cb 0.62 2.96 0.01 0.00 -2.13 0.00 0.00 31.29 32.76 1two h VAL 61 CO 0.02 0.78 -0.75 -0.37 -1.23 0.00 0.00 177.57 176.02 1two h VAL 62 N -0.06 1.50 -3.62 7.19 -1.51 -1.45 -3.43 116.25 114.87 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 1.96 3.16 -0.39 0.00 -2.13 0.00 0.00 31.29 33.89 1two h VAL 62 CO 0.19 0.69 -0.75 1.51 -1.23 0.00 0.00 177.57 177.98 1two s ASP 63 N -6.85 4.43 0.05 4.19 1.47 0.72 -4.73 116.67 115.95 1two s ASP 63 Ca -0.16 -1.77 -0.16 0.00 1.18 0.00 0.00 52.55 51.64 1two s ASP 63 Cb 0.01 -1.40 -0.21 0.00 -0.34 0.00 0.00 42.92 40.97 1two s ASP 63 CO 0.79 -0.33 1.18 1.55 0.68 0.00 0.00 175.17 179.05 1two h PRO 64 N 7.78 0.59 -0.02 2.11 0.13 -1.72 -3.29 132.00 137.58 1two h PRO 64 Ca -0.10 -0.58 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 1.20 0.00 -0.25 -0.23 0.00 0.00 178.00 179.20 1two n ASP 65 N -4.05 1.84 0.00 1.44 8.00 -1.26 -4.95 116.55 117.57 1two n ASP 65 Ca -0.10 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 53.98 1two n ASP 65 Cb 0.74 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.54 1.06 0.37 0.44 0.00 -1.25 -5.00 105.19 101.35 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 0.69 -1.94 1.61 -1.24 -1.85 -3.46 115.58 109.39 1two h ASN 67 Ca 0.00 0.05 0.09 0.00 0.71 0.00 0.00 56.30 57.15 1two h ASN 67 Cb 0.00 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1two h ASN 67 CO 0.00 0.33 0.36 0.00 -1.29 0.00 0.00 177.43 176.82 1two n LEU 68 N -4.60 0.00 -3.64 0.34 -0.00 -1.26 -3.73 117.00 104.12 1two n LEU 68 Ca 0.19 -1.09 -0.14 0.00 -0.00 0.00 0.00 56.01 54.97 1two n LEU 68 Cb 0.50 1.97 -0.13 0.00 -0.00 0.00 0.00 43.42 45.75 1two n LEU 68 CO 0.28 -0.36 -0.14 -1.00 -0.00 0.00 0.00 177.39 176.17 1two s HIS 69 N -3.61 -0.41 0.29 1.47 3.76 -1.22 -4.59 115.29 110.99 1two s HIS 69 Ca 0.14 0.88 -0.25 0.00 -0.15 0.00 0.00 55.06 55.68 1two s HIS 69 Cb -0.02 -0.08 -0.16 0.00 1.11 0.00 0.00 32.58 33.44 1two s HIS 69 CO 0.04 -0.39 0.47 1.58 -0.85 0.00 0.00 174.74 175.59 1two n HIS 70 N 5.35 -0.71 0.00 1.40 -0.00 -1.26 -0.17 115.22 119.83 1two n HIS 70 Ca -0.06 0.80 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1two n HIS 70 Cb 0.50 -1.95 0.00 0.00 -0.12 0.00 0.00 29.99 28.42 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 1.97 1.29 2.56 1.57 0.00 -1.26 -4.66 105.19 106.65 1two n GLY 71 Ca 0.14 -0.02 -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 2.44 1.71 -4.73 1.61 5.15 0.76 -4.91 115.26 117.29 1two n ASN 72 Ca 0.00 -2.93 -0.42 0.00 -0.60 0.00 0.00 54.58 50.63 1two n ASN 72 Cb 0.00 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.56 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 -1.16 3.89 1.23 5.20 0.00 -0.60 -3.43 121.76 126.89 1two s ALA 73 Ca 0.32 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 1two s ALA 73 Cb 0.05 -3.68 0.31 0.00 0.00 0.00 0.00 23.12 19.80 1two s ALA 73 CO -0.14 -0.93 1.00 0.15 0.00 0.00 0.00 175.76 175.84 1two s LYS 74 N 0.77 -1.47 0.00 0.00 -0.14 -1.26 -4.73 119.74 112.91 1two s LYS 74 Ca 0.72 0.70 0.16 0.00 -1.36 0.00 0.00 55.97 56.19 1two s LYS 74 Cb -0.49 -1.50 0.90 0.00 -1.68 0.00 0.00 37.83 35.06 1two s LYS 74 CO 0.36 -4.06 1.41 -0.25 -0.76 0.00 0.00 175.35 172.05 1two n ASP 75 N -5.13 0.00 -0.04 2.83 9.92 -1.26 -2.50 116.55 120.37 1two n ASP 75 Ca 0.04 -0.29 -0.21 0.00 -0.53 0.00 0.00 54.79 53.80 1two n ASP 75 Cb 0.55 -0.11 -0.13 0.00 -0.64 0.00 0.00 41.12 40.79 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 0.26 0.65 1.24 3.04 -1.88 -3.33 116.94 116.92 1two h PHE 76 Ca 0.00 -0.19 -0.03 0.00 3.98 0.00 0.00 57.97 61.73 1two h PHE 76 Cb 0.06 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 38.56 1two h PHE 76 CO 0.00 1.49 -0.31 0.00 -2.02 0.00 0.00 178.31 177.47 1two h ALA 77 N -0.17 -0.88 0.00 2.41 0.00 -1.57 0.84 119.26 119.89 1two h ALA 77 Ca -0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1two h ALA 77 Cb 1.55 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1two h ALA 77 CO -0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 179.25 178.30 1two n MET 78 N -5.38 1.04 0.06 0.00 0.00 -1.12 -3.00 117.12 108.72 1two n MET 78 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.36 1two n MET 78 Cb 0.36 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 32.27 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 1.86 0.00 0.00 3.17 3.00 -1.15 -4.59 118.16 120.46 1two n LYS 79 Ca 0.10 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.46 1two n LYS 79 Cb 0.50 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.82 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 -2.77 0.00 -2.69 5.64 1.44 0.28 -3.12 115.22 114.00 1two n HIS 80 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1two n HIS 80 Cb 0.00 -0.32 0.12 0.00 0.12 0.00 0.00 29.99 29.91 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 -0.29 1.70 3.00 -1.39 0.00 -1.16 -5.09 105.19 101.96 1two n GLY 81 Ca 0.05 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 0.10 1.01 0.27 4.61 0.00 -1.18 -4.89 121.76 121.68 1two s ALA 82 Ca 0.16 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1two s ALA 82 Cb 0.42 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1two s ALA 82 CO -0.11 0.12 0.94 -0.51 0.00 0.00 0.00 175.76 176.21 1two s ASP 83 N 0.44 7.54 0.51 0.00 1.11 -1.26 -4.77 116.67 120.25 1two s ASP 83 Ca -0.08 1.92 0.41 0.00 0.18 0.00 0.00 52.55 54.97 1two s ASP 83 Cb -0.12 -2.60 1.59 0.00 1.07 0.00 0.00 42.92 42.86 1two s ASP 83 CO 0.02 0.08 1.63 -0.33 1.18 0.00 0.00 175.17 177.74 1two h GLU 84 N 3.82 0.03 0.08 8.23 5.08 -1.99 1.61 114.58 131.44 1two h GLU 84 Ca -0.46 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.66 1two h GLU 84 Cb 1.20 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1two h GLU 84 CO 0.67 0.02 -0.98 0.00 -1.00 0.00 0.00 179.01 177.72 1two h THR 85 N 0.03 1.36 -0.26 1.13 1.03 -2.01 -3.18 112.91 111.00 1two h THR 85 Ca 0.84 -2.34 0.08 0.00 -0.01 0.00 0.00 66.41 64.98 1two h THR 85 Cb 3.10 2.71 -0.01 0.00 -1.07 0.00 0.00 68.15 72.88 1two h THR 85 CO -0.17 0.70 0.35 0.00 -0.01 0.00 0.00 175.52 176.39 1two h MET 86 N 0.08 0.00 0.43 0.00 -0.00 0.20 1.66 114.93 117.30 1two h MET 86 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.54 1two h MET 86 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.29 1two h MET 86 CO 0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 176.91 176.89 1two h ALA 87 N 1.55 -0.58 0.10 -3.00 0.00 -1.36 -2.12 119.26 113.86 1two h ALA 87 Ca 0.12 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1two h ALA 87 Cb 0.82 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1two h ALA 87 CO -0.00 -0.82 -1.64 0.37 0.00 0.00 0.00 179.25 177.16 1two h GLN 88 N -0.58 0.21 -0.52 0.00 -0.00 -1.30 -3.32 115.11 109.60 1two h GLN 88 Ca -0.06 -0.36 0.05 0.00 -0.00 0.00 0.00 58.65 58.29 1two h GLN 88 Cb 0.44 0.13 -0.08 0.00 0.00 0.00 0.00 27.48 27.98 1two h GLN 88 CO 0.10 1.17 -0.45 1.96 0.00 0.00 0.00 178.83 181.61 1two h GLN 89 N -0.28 -0.17 -0.82 1.69 4.20 0.23 0.44 115.11 120.40 1two h GLN 89 Ca -0.36 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.54 1two h GLN 89 Cb 1.79 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 29.50 1two h GLN 89 CO 0.02 -0.11 0.31 -0.07 -0.67 0.00 0.00 178.83 178.30 1two h LEU 90 N -0.18 0.23 -2.04 1.46 4.07 -1.56 1.91 115.31 119.20 1two h LEU 90 Ca 0.09 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1two h LEU 90 Cb 0.40 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1two h LEU 90 CO -0.58 0.02 0.17 0.58 -1.08 0.00 0.00 178.44 177.55 1two h VAL 91 N 0.38 0.00 0.02 1.22 2.07 -0.29 1.27 116.25 120.92 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 0.84 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1two h VAL 91 CO -0.49 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.31 1two h ASP 92 N 0.00 -0.02 -0.23 0.57 3.58 0.43 -2.35 116.42 118.40 1two h ASP 92 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1two h ASP 92 Cb 0.34 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1two h ASP 92 CO 0.00 0.00 0.05 0.16 -2.88 0.00 0.00 179.24 176.58 1two h ILE 93 N -0.07 1.21 -0.53 2.25 -2.65 -1.33 -1.80 117.51 114.58 1two h ILE 93 Ca -0.00 -0.69 0.15 0.00 1.03 0.00 0.00 64.86 65.35 1two h ILE 93 Cb 0.02 1.23 -0.02 0.00 -2.05 0.00 0.00 36.82 36.00 1two h ILE 93 CO 0.00 0.22 0.48 0.40 0.03 0.00 0.00 178.15 179.28 1two h ILE 94 N 0.19 0.48 -0.00 0.16 2.04 0.14 1.38 117.51 121.90 1two h ILE 94 Ca 0.07 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 1two h ILE 94 Cb 0.28 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1two h ILE 94 CO 0.00 0.00 -0.80 0.45 0.00 0.00 0.00 178.15 177.80 1two h HIS 95 N 0.00 0.12 0.00 1.37 3.86 -0.76 0.58 115.15 120.31 1two h HIS 95 Ca 0.25 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1two h HIS 95 Cb 1.20 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 1two h HIS 95 CO 0.00 0.85 -1.23 0.78 0.86 0.00 0.00 177.93 179.19 1two h GLY 96 N 2.12 0.00 0.00 2.45 0.00 0.14 -3.21 103.07 104.57 1two h GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1two h GLY 96 CO 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.27 1two h GLU 98 N -0.82 0.19 -0.01 0.00 4.81 -0.02 3.14 114.58 121.89 1two h GLU 98 Ca 0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1two h GLU 98 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1two h GLU 98 CO 0.00 0.13 -0.70 1.57 -0.73 0.00 0.00 179.01 179.28 1two h LYS 99 N 0.20 0.04 -0.01 1.92 5.09 -1.67 -2.85 116.57 119.29 1two h LYS 99 Ca 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 61.41 1two h LYS 99 Cb 2.14 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.48 1two h LYS 99 CO -0.31 0.72 -0.41 0.45 -2.09 0.00 0.00 179.45 177.81 1two n SER 100 N -3.72 1.44 -4.03 7.07 2.88 0.84 -4.57 113.62 113.53 1two n SER 100 Ca -0.01 -1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 56.06 1two n SER 100 Cb 0.68 0.34 -0.09 0.00 -0.75 0.00 0.00 64.21 64.39 1two n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1two s ALA 101 N -2.54 3.93 1.05 -1.46 0.00 0.86 -5.03 121.76 118.56 1two s ALA 101 Ca 0.20 -3.70 -0.17 0.00 0.00 0.00 0.00 51.96 48.30 1two s ALA 101 Cb 0.18 -2.54 0.22 0.00 0.00 0.00 0.00 23.12 20.99 1two s ALA 101 CO 0.57 -2.12 1.20 -1.25 0.00 0.00 0.00 175.76 174.17 1two s PRO 102 N -1.09 -0.02 0.00 0.00 0.04 -1.26 -4.73 135.00 127.94 1two s PRO 102 Ca 0.24 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.11 1two s PRO 102 Cb -0.10 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1two s PRO 102 CO -0.11 -2.90 2.17 -0.35 0.04 0.00 0.00 177.00 175.85 1two n PRO 103 N -4.17 1.12 -1.96 0.56 -0.04 -1.26 -4.75 135.00 124.51 1two n PRO 103 Ca 0.13 -0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 62.81 1two n PRO 103 Cb 0.59 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.12 6.35 0.56 3.54 3.84 -1.26 -4.84 114.94 125.25 1two s ASN 104 Ca 0.25 2.81 0.31 0.00 0.21 0.00 0.00 52.86 56.44 1two s ASN 104 Cb 0.12 -2.65 1.70 0.00 -0.55 0.00 0.00 41.25 39.87 1two s ASN 104 CO 0.00 -0.84 1.94 -2.24 -2.79 0.00 0.00 177.10 173.17 1two h ASP 105 N 2.86 0.00 -0.03 -4.21 2.03 -2.05 -0.44 116.42 114.58 1two h ASP 105 Ca -0.50 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.78 1two h ASP 105 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1two h ASP 105 CO 0.63 0.00 0.02 -0.67 -1.03 0.00 0.00 179.24 178.20 1two n ASP 106 N -2.73 3.55 -0.31 4.15 -0.08 -1.26 -4.40 116.55 115.47 1two n ASP 106 Ca -0.02 -2.14 0.34 0.00 -1.51 0.00 0.00 54.79 51.46 1two n ASP 106 Cb 0.21 -0.65 0.55 0.00 2.34 0.00 0.00 41.12 43.57 1two n ASP 106 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1two h LYS 107 N 0.25 0.00 0.13 -0.67 3.11 -1.43 3.57 116.57 121.53 1two h LYS 107 Ca 0.02 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1two h LYS 107 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1two h LYS 107 CO 0.04 0.00 -0.06 0.00 -2.81 0.00 0.00 179.45 176.62 1two n MET 109 N -5.11 1.24 -0.00 0.00 1.56 0.69 -3.84 117.12 111.66 1two n MET 109 Ca -0.08 -0.95 -0.00 0.00 -0.27 0.00 0.00 57.70 56.39 1two n MET 109 Cb 0.14 -1.46 -0.00 0.00 2.15 0.00 0.00 33.22 34.05 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 -0.07 0.01 -0.32 2.12 0.00 1.03 -3.94 118.16 116.99 1two n LYS 110 Ca 0.09 0.25 0.10 0.00 0.00 0.00 0.00 58.31 58.75 1two n LYS 110 Cb 0.45 -0.77 0.27 0.00 0.00 0.00 0.00 35.03 34.98 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 -0.02 0.71 -0.75 3.15 2.02 -1.19 0.68 112.91 117.52 1two h THR 111 Ca 0.00 -0.23 0.17 0.00 0.77 0.00 0.00 66.41 67.12 1two h THR 111 Cb 0.01 -0.03 -0.12 0.00 -1.74 0.00 0.00 68.15 66.27 1two h THR 111 CO 0.00 0.12 0.08 -0.29 0.37 0.00 0.00 175.52 175.81 1two h ILE 112 N 0.68 0.40 -0.89 3.11 -0.00 -1.65 0.84 117.51 119.99 1two h ILE 112 Ca 0.52 -0.06 0.16 0.00 -0.00 0.00 0.00 64.86 65.48 1two h ILE 112 Cb 0.77 0.23 -0.16 0.00 -0.00 0.00 0.00 36.82 37.66 1two h ILE 112 CO -0.38 0.03 -0.31 -0.78 -0.00 0.00 0.00 178.15 176.71 1two h ASP 113 N 0.16 -1.14 -0.00 2.19 1.82 -0.98 1.68 116.42 120.16 1two h ASP 113 Ca 0.42 0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 57.33 1two h ASP 113 Cb 0.74 0.65 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1two h ASP 113 CO -0.60 -0.30 -0.04 0.58 -1.61 0.00 0.00 179.24 177.27 1two h VAL 114 N -0.03 1.62 -0.23 2.25 2.07 -0.71 0.71 116.25 121.93 1two h VAL 114 Ca 0.37 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1two h VAL 114 Cb 0.62 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1two h VAL 114 CO -0.92 0.49 0.58 0.00 0.02 0.00 0.00 177.57 177.74 1two h ALA 115 N 0.22 1.85 0.00 1.67 0.00 0.24 0.16 119.26 123.39 1two h ALA 115 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1two h ALA 115 Cb 0.83 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1two h ALA 115 CO 0.01 -0.69 -2.19 -0.12 0.00 0.00 0.00 179.25 176.25 1two n MET 116 N -3.09 0.74 -0.34 0.00 0.00 0.55 -4.01 117.12 110.97 1two n MET 116 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 57.70 57.80 1two n MET 116 Cb 0.68 -1.43 0.03 0.00 0.00 0.00 0.00 33.22 32.50 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 -0.05 0.91 -0.04 0.00 3.57 -1.68 -2.27 116.94 117.39 1two h PHE 118 Ca 0.31 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1two h PHE 118 Cb 0.58 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1two h PHE 118 CO -0.82 0.88 -0.11 0.87 -2.23 0.00 0.00 178.31 176.90 1two h LYS 119 N 0.76 0.05 0.00 1.11 1.79 0.69 -0.21 116.57 120.77 1two h LYS 119 Ca 0.13 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1two h LYS 119 Cb 0.57 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1two h LYS 119 CO 0.04 0.17 -0.07 0.87 -1.08 0.00 0.00 179.45 179.37 1two h LYS 120 N 0.05 0.00 -0.01 3.15 1.57 0.23 -0.16 116.57 121.41 1two h LYS 120 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1two h LYS 120 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1two h LYS 120 CO 0.01 0.07 0.00 0.93 -0.57 0.00 0.00 179.45 179.90 1two h GLU 121 N 0.00 0.00 0.16 3.15 4.39 -1.03 -0.90 114.58 120.35 1two h GLU 121 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1two h GLU 121 Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1two h GLU 121 CO 0.01 0.00 -1.36 0.82 -1.16 0.00 0.00 179.01 177.32 1two h ILE 122 N 0.00 1.38 0.00 3.13 1.08 -1.12 -3.20 117.51 118.78 1two h ILE 122 Ca 0.00 -2.92 0.00 0.00 -0.39 0.00 0.00 64.86 61.55 1two h ILE 122 Cb 0.01 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1two h ILE 122 CO -0.00 0.86 0.59 -0.74 -0.69 0.00 0.00 178.15 178.17 1two h HIS 123 N 0.09 0.00 -0.59 1.37 -0.00 -0.91 2.71 115.15 117.82 1two h HIS 123 Ca -0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 59.99 1two h HIS 123 Cb 2.03 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 29.33 1two h HIS 123 CO 0.08 0.00 0.25 0.36 -0.00 0.00 0.00 177.93 178.62 1two n LYS 124 N -2.47 2.89 0.00 5.26 2.85 -1.21 -4.55 118.16 120.94 1two n LYS 124 Ca -0.01 -2.28 0.00 0.00 -1.05 0.00 0.00 58.31 54.97 1two n LYS 124 Cb 0.61 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 -0.14 0.00 -0.02 -5.58 -0.00 0.91 -4.37 117.00 107.80 1two n LEU 125 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.35 1two n LEU 125 Cb 1.17 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.46 1two n LEU 125 CO 0.35 0.00 -0.70 0.59 -0.00 0.00 0.00 177.39 177.63 1two n ASN 126 N 0.00 0.31 -4.80 1.45 3.02 -1.26 -4.89 115.26 109.09 1two n ASN 126 Ca 0.00 0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 1two n ASN 126 Cb 0.00 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 1two n ASN 126 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1two s TRP 127 N -3.00 3.69 -0.31 3.10 0.51 -1.26 -5.05 118.94 116.61 1two s TRP 127 Ca -0.07 1.04 -0.18 0.00 -2.12 0.00 0.00 56.10 54.77 1two s TRP 127 Cb 0.10 -2.41 -0.01 0.00 -0.81 0.00 0.00 33.47 30.33 1two s TRP 127 CO 0.85 0.50 0.52 0.14 -0.51 0.00 0.00 176.95 178.45 1two s VAL 128 N -0.63 5.03 -0.04 4.03 -7.23 -1.26 -4.07 120.40 116.22 1two s VAL 128 Ca 0.26 0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 60.96 1two s VAL 128 Cb -0.17 -3.92 -0.20 0.00 0.56 0.00 0.00 36.38 32.65 1two s VAL 128 CO 0.14 -0.10 2.84 -0.81 -0.31 0.00 0.00 175.10 176.86 1two n PRO 129 N 5.69 1.54 -0.66 4.82 -0.04 -1.26 -4.57 135.00 140.52 1two n PRO 129 Ca -0.04 -0.78 0.51 0.00 -0.04 0.00 0.00 63.50 63.14 1two n PRO 129 Cb 0.49 -1.90 0.80 0.00 -0.04 0.00 0.00 33.50 32.85 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 3.81 0.04 -3.52 3.54 -0.73 -1.92 -3.26 115.58 113.54 1two h ASN 130 Ca 0.16 0.03 -0.69 0.00 1.87 0.00 0.00 56.30 57.67 1two h ASN 130 Cb 1.11 0.03 -0.19 0.00 0.27 0.00 0.00 38.32 39.55 1two h ASN 130 CO 0.34 -0.06 -0.19 -0.32 -0.37 0.00 0.00 177.43 176.83 1two s MET 131 N -4.95 3.10 -0.11 6.67 1.75 -1.26 -4.56 119.30 119.93 1two s MET 131 Ca -0.06 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.63 1two s MET 131 Cb 0.28 -3.98 0.01 0.00 2.84 0.00 0.00 34.83 33.98 1two s MET 131 CO 0.88 -0.88 -0.16 0.34 -0.65 0.00 0.00 175.02 174.54 1two s ASP 132 N 1.89 2.55 -0.43 1.11 -1.08 0.81 -4.95 116.67 116.56 1two s ASP 132 Ca 0.12 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 1two s ASP 132 Cb -0.17 -1.15 0.18 0.00 -1.46 0.00 0.00 42.92 40.31 1two s ASP 132 CO 0.13 0.03 0.60 -0.22 0.52 0.00 0.00 175.17 176.23 1two s LEU 133 N 0.93 -1.11 -0.02 -1.34 1.98 -1.26 -4.19 118.68 113.68 1two s LEU 133 Ca -0.07 -1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 49.88 1two s LEU 133 Cb -0.15 1.58 -0.01 0.00 0.66 0.00 0.00 46.19 48.27 1two s LEU 133 CO -0.01 -0.15 -0.02 0.55 -1.89 0.00 0.00 176.35 174.82 1two n VAL 134 N 3.92 0.12 -0.01 1.68 3.14 -1.26 -4.78 118.33 121.14 1two n VAL 134 Ca 0.14 -0.04 0.07 0.00 -2.96 0.00 0.00 64.34 61.55 1two n VAL 134 Cb 0.54 -1.10 -0.12 0.00 -1.06 0.00 0.00 33.84 32.10 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 -2.86 0.06 -1.60 1.55 -0.00 -1.26 -4.99 119.36 110.26 1two n ILE 135 Ca -0.04 -0.36 -0.10 0.00 -0.00 0.00 0.00 62.75 62.25 1two n ILE 135 Cb 0.53 0.11 -0.03 0.00 -0.00 0.00 0.00 39.64 40.25 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 0.76 3.50 3.28 0.00 -1.26 -5.00 105.19 108.15 1two n GLY 136 Ca -0.04 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.43 1.79 -0.53 1.61 2.02 -1.26 -5.06 118.70 113.83 1two s GLU 137 Ca 0.00 -2.05 -0.26 0.00 0.02 0.00 0.00 54.97 52.68 1two s GLU 137 Cb 0.00 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1two s GLU 137 CO 0.00 -0.31 2.12 0.14 0.02 0.00 0.00 175.26 177.24 1two s VAL 138 N -3.24 3.19 0.00 2.63 -7.23 -1.26 -3.31 120.40 111.18 1two s VAL 138 Ca 0.30 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1two s VAL 138 Cb 0.06 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.52 1two s VAL 138 CO 0.14 -0.45 0.00 -0.11 -0.31 0.00 0.00 175.10 174.37 1two n LEU 139 N 14.09 0.00 -4.96 1.32 7.94 -1.26 -5.14 117.00 128.99 1two n LEU 139 Ca 0.28 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.96 1two n LEU 139 Cb 0.53 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.50 1two n LEU 139 CO 0.71 0.00 0.30 0.00 -1.11 0.00 0.00 177.39 177.29 1two s ALA 140 N 0.00 3.78 -1.03 1.96 0.00 -1.21 -4.97 121.76 120.30 1two s ALA 140 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 1two s ALA 140 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 1two s ALA 140 CO 0.00 -0.44 1.93 -1.21 0.00 0.00 0.00 175.76 176.04 1two s GLU 141 N -4.59 2.57 0.00 0.00 8.01 -1.26 -4.93 118.70 118.49 1two s GLU 141 Ca 0.50 -0.70 0.12 0.00 0.01 0.00 0.00 54.97 54.90 1two s GLU 141 Cb -0.10 -5.15 0.73 0.00 -4.31 0.00 0.00 34.13 25.30 1two s GLU 141 CO 0.38 -3.60 1.16 1.55 0.01 0.00 0.00 175.26 174.76