#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 0.35 0.18 1.43 -0.04 -1.26 -4.69 135.00 130.97 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 1.49 -0.04 0.00 0.00 175.50 176.95 1two h GLU 3 N 0.00 0.00 -0.83 0.54 4.57 -1.91 0.20 114.58 117.15 1two h GLU 3 Ca 0.00 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1two h GLU 3 Cb 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1two h GLU 3 CO 0.00 0.00 0.54 0.82 -1.18 0.00 0.00 179.01 179.19 1two h ILE 4 N 0.00 0.98 -0.00 2.32 1.08 -1.89 0.88 117.51 120.88 1two h ILE 4 Ca 0.12 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1two h ILE 4 Cb 0.72 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1two h ILE 4 CO -0.00 0.15 -0.57 0.23 -0.69 0.00 0.00 178.15 177.27 1two n MET 5 N -4.51 0.43 -3.73 2.37 2.81 0.65 -4.74 117.12 110.39 1two n MET 5 Ca 0.14 -0.31 -0.38 0.00 -1.81 0.00 0.00 57.70 55.34 1two n MET 5 Cb 0.29 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.19 1two n MET 5 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1two s LYS 6 N -2.78 2.45 -0.03 0.03 2.20 0.31 -5.01 119.74 116.90 1two s LYS 6 Ca 0.15 -1.43 0.07 0.00 -0.36 0.00 0.00 55.97 54.40 1two s LYS 6 Cb 0.18 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1two s LYS 6 CO 0.68 -0.85 -0.24 0.54 -0.36 0.00 0.00 175.35 175.12 1two s ASN 7 N 1.72 3.23 0.98 1.43 4.22 -1.26 -4.69 114.94 120.57 1two s ASN 7 Ca 0.02 -0.42 0.00 0.00 -2.14 0.00 0.00 52.86 50.31 1two s ASN 7 Cb -0.21 -0.46 0.00 0.00 1.28 0.00 0.00 41.25 41.85 1two s ASN 7 CO 0.00 0.32 0.00 0.00 -2.04 0.00 0.00 177.10 175.38 1two n LEU 8 N 2.45 0.00 0.00 3.54 -0.00 -1.26 -5.00 117.00 116.73 1two n LEU 8 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1two n LEU 8 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1two n LEU 8 CO 0.24 -0.97 0.00 -0.24 -0.00 0.00 0.00 177.39 176.41 1two n SER 9 N -2.93 0.00 0.00 1.45 2.88 -1.26 -4.56 113.62 109.20 1two n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1two n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1two n SER 9 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1two n ASN 10 N 0.00 3.96 -0.22 -3.46 6.94 -1.26 -4.35 115.26 116.87 1two n ASN 10 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 54.58 54.75 1two n ASN 10 Cb 0.00 0.36 0.32 0.00 -2.36 0.00 0.00 39.78 38.10 1two n ASN 10 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1two n ASN 11 N -1.79 0.11 -0.01 0.53 5.03 -1.26 0.18 115.26 118.05 1two n ASN 11 Ca 0.00 0.68 -0.02 0.00 0.87 0.00 0.00 54.58 56.11 1two n ASN 11 Cb 0.41 -0.33 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 1two n ASN 11 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1two n PHE 12 N -3.66 0.00 -0.47 3.10 7.35 -1.26 -3.86 117.46 118.66 1two n PHE 12 Ca 0.19 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.27 1two n PHE 12 Cb 0.74 -0.09 0.68 0.00 0.35 0.00 0.00 39.48 41.16 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 -0.18 0.91 0.14 7.13 0.00 -1.60 3.14 103.07 112.61 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 -0.25 -0.04 1.70 0.00 0.00 0.00 176.54 177.95 1two h LYS 14 N 0.09 -0.10 -0.65 4.80 3.64 0.16 -1.50 116.57 123.00 1two h LYS 14 Ca 0.79 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 60.19 1two h LYS 14 Cb 2.65 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 34.46 1two h LYS 14 CO -0.28 0.30 0.42 0.00 -2.27 0.00 0.00 179.45 177.62 1two h ALA 15 N -0.54 0.83 -0.76 5.00 0.00 -0.39 0.13 119.26 123.53 1two h ALA 15 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1two h ALA 15 Cb 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1two h ALA 15 CO 0.02 0.22 0.36 0.52 0.00 0.00 0.00 179.25 180.37 1two h MET 16 N 0.85 1.09 -0.49 0.00 2.86 0.54 0.99 114.93 120.77 1two h MET 16 Ca 0.25 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1two h MET 16 Cb -0.06 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1two h MET 16 CO -0.07 0.84 -0.12 0.22 1.06 0.00 0.00 176.91 178.84 1two h ASP 17 N 1.08 0.95 -0.21 1.22 1.82 -0.43 0.47 116.42 121.33 1two h ASP 17 Ca 0.26 -0.36 -0.21 0.00 -0.39 0.00 0.00 57.03 56.33 1two h ASP 17 Cb 0.11 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 39.87 1two h ASP 17 CO -0.03 1.10 -0.69 1.56 -1.61 0.00 0.00 179.24 179.57 1two h GLN 18 N 0.80 0.83 -0.38 0.28 4.20 -0.24 -2.98 115.11 117.63 1two h GLN 18 Ca 0.12 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 1two h GLN 18 Cb 0.68 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1two h GLN 18 CO 0.05 1.23 0.06 0.00 -0.67 0.00 0.00 178.83 179.50 1two n LYS 20 N -4.31 0.11 -0.00 0.00 4.81 0.14 -1.11 118.16 117.80 1two n LYS 20 Ca 0.02 0.21 -0.01 0.00 -0.87 0.00 0.00 58.31 57.67 1two n LYS 20 Cb 0.21 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.76 1two n LYS 20 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1two n ASP 21 N -1.36 0.29 -0.31 3.14 8.00 0.58 -3.02 116.55 123.85 1two n ASP 21 Ca 0.05 0.04 0.16 0.00 0.71 0.00 0.00 54.79 55.75 1two n ASP 21 Cb 0.11 -0.31 0.35 0.00 -0.02 0.00 0.00 41.12 41.26 1two n ASP 21 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1two h GLU 22 N -0.09 0.30 0.00 -1.24 4.11 -0.14 0.60 114.58 118.12 1two h GLU 22 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1two h GLU 22 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1two h GLU 22 CO 0.00 0.20 -1.18 1.28 0.07 0.00 0.00 179.01 179.38 1two n LEU 23 N -5.12 0.70 -0.86 3.06 4.77 -0.27 -4.93 117.00 114.35 1two n LEU 23 Ca 0.25 -0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1two n LEU 23 Cb 0.76 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 1two n LEU 23 CO 0.09 0.15 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.03 1two n SER 24 N -1.74 -3.80 -4.91 -1.43 7.64 0.21 -4.91 113.62 104.69 1two n SER 24 Ca 0.02 0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.84 1two n SER 24 Cb 0.40 -3.05 0.05 0.00 -1.01 0.00 0.00 64.21 60.59 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 -2.35 3.03 -0.13 -3.43 -0.00 -1.24 -4.87 118.68 109.69 1two s LEU 25 Ca 0.00 0.78 -0.29 0.00 -0.00 0.00 0.00 54.13 54.62 1two s LEU 25 Cb 0.00 -3.55 -0.02 0.00 -0.00 0.00 0.00 46.19 42.62 1two s LEU 25 CO 0.00 -1.28 1.26 -2.16 -0.00 0.00 0.00 176.35 174.17 1two s PRO 26 N -5.17 4.26 0.00 1.48 0.04 -1.26 -4.23 135.00 130.12 1two s PRO 26 Ca 0.57 1.69 0.15 0.00 0.04 0.00 0.00 61.00 63.44 1two s PRO 26 Cb -0.11 -3.71 0.84 0.00 0.04 0.00 0.00 34.50 31.56 1two s PRO 26 CO 0.47 -0.64 1.31 -0.40 0.04 0.00 0.00 177.00 177.78 1two n ASP 27 N 6.23 0.00 0.10 6.66 5.75 -1.26 -2.00 116.55 132.04 1two n ASP 27 Ca 0.13 -0.35 -0.23 0.00 -0.01 0.00 0.00 54.79 54.33 1two n ASP 27 Cb 0.45 -0.06 -0.15 0.00 -1.03 0.00 0.00 41.12 40.33 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 0.70 -0.57 -1.12 4.64 -1.97 -2.29 113.55 112.94 1two h SER 28 Ca 0.00 -0.91 -0.01 0.00 -0.47 0.00 0.00 61.79 60.40 1two h SER 28 Cb 0.03 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1two h SER 28 CO 0.00 1.74 0.32 -0.37 -0.87 0.00 0.00 176.83 177.66 1two h VAL 29 N 0.12 1.18 0.02 0.95 -1.51 -1.81 1.15 116.25 116.36 1two h VAL 29 Ca -0.31 -0.45 -0.21 0.00 -1.23 0.00 0.00 66.70 64.50 1two h VAL 29 Cb 2.13 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1two h VAL 29 CO 0.22 0.20 -0.95 1.62 -1.23 0.00 0.00 177.57 177.43 1two h VAL 30 N 0.82 1.52 0.00 7.19 3.04 -1.64 -3.07 116.25 124.10 1two h VAL 30 Ca 0.21 -2.78 -0.14 0.00 -1.01 0.00 0.00 66.70 62.99 1two h VAL 30 Cb 0.02 2.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.87 1two h VAL 30 CO -0.03 0.81 -0.65 0.00 -1.01 0.00 0.00 177.57 176.68 1two h ALA 31 N 0.91 0.76 0.00 3.17 0.00 -0.64 -2.73 119.26 120.72 1two h ALA 31 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1two h ALA 31 Cb 1.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1two h ALA 31 CO 0.15 0.81 0.00 0.22 0.00 0.00 0.00 179.25 180.43 1two h ASP 32 N 0.00 0.00 -0.15 0.00 3.58 0.14 -2.97 116.42 117.02 1two h ASP 32 Ca -0.01 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1two h ASP 32 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 1two h ASP 32 CO 0.08 0.00 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.36 1two h LEU 33 N 0.00 -0.10 -1.89 2.28 3.38 -1.40 -0.05 115.31 117.54 1two h LEU 33 Ca 0.00 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1two h LEU 33 Cb 0.48 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1two h LEU 33 CO 0.00 -0.03 0.56 1.88 0.09 0.00 0.00 178.44 180.94 1two h TYR 34 N 0.02 0.00 0.44 1.13 0.05 -1.68 0.07 116.97 117.01 1two h TYR 34 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1two h TYR 34 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1two h TYR 34 CO -0.17 0.00 -0.21 -0.97 -1.05 0.00 0.00 178.16 175.76 1two h ASN 35 N 0.00 -0.50 -0.46 3.88 -1.24 -1.15 -3.45 115.58 112.66 1two h ASN 35 Ca 0.27 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 1two h ASN 35 Cb 1.37 0.13 -0.16 0.00 0.73 0.00 0.00 38.32 40.40 1two h ASN 35 CO -0.00 -0.09 -0.24 -0.36 -1.29 0.00 0.00 177.43 175.45 1two s PHE 36 N -4.02 -0.74 -1.22 0.67 0.08 -0.24 -4.98 117.98 107.52 1two s PHE 36 Ca -0.12 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.79 1two s PHE 36 Cb 0.01 0.15 0.35 0.00 -0.57 0.00 0.00 43.02 42.95 1two s PHE 36 CO 0.39 -0.58 1.15 1.87 -0.10 0.00 0.00 175.22 177.95 1two n TRP 37 N 2.80 0.75 0.03 0.36 -0.00 -0.15 -3.67 117.44 117.56 1two n TRP 37 Ca 0.13 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.50 57.32 1two n TRP 37 Cb 0.62 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.31 31.75 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 1.90 -0.13 -0.10 5.87 6.56 -1.85 -3.37 116.57 125.45 1two h LYS 38 Ca 0.00 0.01 -0.19 0.00 -1.06 0.00 0.00 60.65 59.41 1two h LYS 38 Cb 0.88 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 1two h LYS 38 CO 0.13 -0.09 -0.73 0.22 -2.06 0.00 0.00 179.45 176.92 1two h ASP 39 N -0.58 0.58 -2.10 0.86 1.82 -1.84 -3.36 116.42 111.79 1two h ASP 39 Ca -0.01 -0.38 -0.51 0.00 -0.39 0.00 0.00 57.03 55.74 1two h ASP 39 Cb 0.11 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1two h ASP 39 CO 0.02 1.13 1.35 -0.62 -1.61 0.00 0.00 179.24 179.51 1two s ASP 40 N -7.00 5.36 0.04 2.28 2.15 -1.24 -4.96 116.67 113.30 1two s ASP 40 Ca -0.07 0.52 0.01 0.00 0.43 0.00 0.00 52.55 53.44 1two s ASP 40 Cb 0.10 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1two s ASP 40 CO 0.85 -2.27 0.13 -0.47 -0.17 0.00 0.00 175.17 173.24 1two s TYR 41 N 8.78 3.35 0.57 -5.34 5.04 -1.26 -4.72 117.35 123.78 1two s TYR 41 Ca 0.70 0.19 0.44 0.00 -2.44 0.00 0.00 57.07 55.97 1two s TYR 41 Cb -0.14 -1.72 1.54 0.00 0.35 0.00 0.00 41.96 41.99 1two s TYR 41 CO 0.23 0.56 1.52 0.28 -1.34 0.00 0.00 175.55 176.81 1two h VAL 42 N 2.61 0.02 0.00 3.14 2.07 -1.93 1.21 116.25 123.37 1two h VAL 42 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1two h VAL 42 Cb 1.17 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1two h VAL 42 CO 0.68 0.00 0.57 -0.03 0.02 0.00 0.00 177.57 178.81 1two h MET 43 N 0.00 0.00 0.00 1.57 4.05 -1.97 -2.03 114.93 116.54 1two h MET 43 Ca 0.82 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 60.07 1two h MET 43 Cb 3.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 34.29 1two h MET 43 CO -0.01 0.00 -1.55 2.41 0.23 0.00 0.00 176.91 177.99 1two n THR 44 N -2.74 0.54 -3.80 -0.77 -1.04 0.42 -4.93 114.28 101.95 1two n THR 44 Ca -0.01 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 1two n THR 44 Cb 0.60 -1.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 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 -5.75 4.06 0.03 8.00 -1.08 -0.80 -4.96 116.67 116.17 1two s ASP 45 Ca -0.14 -2.25 -0.17 0.00 -0.52 0.00 0.00 52.55 49.47 1two s ASP 45 Cb 0.05 -1.15 -0.27 0.00 -1.46 0.00 0.00 42.92 40.09 1two s ASP 45 CO 0.18 -0.33 1.09 -0.09 0.52 0.00 0.00 175.17 176.54 1two h ARG 46 N 7.33 0.54 -0.86 4.34 2.43 -1.77 -3.26 114.38 123.13 1two h ARG 46 Ca -0.07 -0.67 0.22 0.00 -0.81 0.00 0.00 59.98 58.66 1two h ARG 46 Cb 0.97 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 30.60 1two h ARG 46 CO 0.51 1.27 0.25 -0.07 -1.51 0.00 0.00 179.97 180.42 1two h LEU 47 N 0.11 0.06 -1.63 3.80 -0.00 -1.92 1.72 115.31 117.45 1two h LEU 47 Ca -0.14 0.18 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 1two h LEU 47 Cb 1.66 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 42.52 1two h LEU 47 CO 0.19 -0.11 0.37 0.00 -0.00 0.00 0.00 178.44 178.89 1two h ALA 48 N 1.74 1.95 0.00 1.53 0.00 -1.86 1.26 119.26 123.88 1two h ALA 48 Ca 0.53 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.38 1two h ALA 48 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1two h ALA 48 CO -0.61 -0.06 -0.23 0.78 0.00 0.00 0.00 179.25 179.13 1two h GLY 49 N 0.44 0.00 0.73 0.00 0.00 0.24 -2.62 103.07 101.86 1two h GLY 49 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.24 1two h GLY 49 CO -0.07 0.00 -1.79 0.00 0.00 0.00 0.00 176.54 174.68 1two h ALA 51 N 0.06 0.35 -0.37 0.00 0.00 0.14 0.66 119.26 120.10 1two h ALA 51 Ca -0.37 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1two h ALA 51 Cb 2.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1two h ALA 51 CO 0.12 -0.31 -0.13 0.97 0.00 0.00 0.00 179.25 179.90 1two h ILE 52 N 0.21 1.25 -0.21 0.00 -0.00 -1.61 0.16 117.51 117.31 1two h ILE 52 Ca 0.14 -1.13 0.03 0.00 -0.00 0.00 0.00 64.86 63.91 1two h ILE 52 Cb 0.13 1.10 -0.03 0.00 -0.00 0.00 0.00 36.82 38.03 1two h ILE 52 CO -0.17 0.38 0.01 -1.13 -0.00 0.00 0.00 178.15 177.24 1two h ASN 53 N 0.60 -0.06 0.37 2.19 -0.73 -0.94 -0.99 115.58 116.03 1two h ASN 53 Ca 0.10 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.19 1two h ASN 53 Cb 0.56 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1two h ASN 53 CO 0.04 -0.00 -0.51 0.00 -0.37 0.00 0.00 177.43 176.58 1two h LEU 55 N 0.13 0.00 -0.46 0.00 7.12 0.73 5.08 115.31 127.91 1two h LEU 55 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1two h LEU 55 Cb 0.95 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1two h LEU 55 CO 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.39 1two n ALA 56 N -2.68 1.19 0.00 1.25 0.00 -1.06 -3.98 120.51 115.22 1two n ALA 56 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1two n ALA 56 Cb 1.78 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1two n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1two n THR 57 N -1.78 0.00 -3.80 0.00 -2.24 1.66 -1.11 114.28 107.00 1two n THR 57 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1two n THR 57 Cb 0.06 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 1two n THR 57 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1two s LYS 58 N -3.14 2.17 0.39 -0.78 -0.14 -1.26 -4.91 119.74 112.08 1two s LYS 58 Ca 0.00 -2.23 0.25 0.00 -1.36 0.00 0.00 55.97 52.63 1two s LYS 58 Cb 0.00 -3.57 1.37 0.00 -1.68 0.00 0.00 37.83 33.95 1two s LYS 58 CO 0.00 -1.11 1.76 -0.07 -0.76 0.00 0.00 175.35 175.18 1two h LEU 59 N 7.36 0.00 -1.47 3.17 4.07 -1.45 0.32 115.31 127.32 1two h LEU 59 Ca -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1two h LEU 59 Cb 0.98 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1two h LEU 59 CO 0.68 0.00 -0.18 0.44 -1.08 0.00 0.00 178.44 178.30 1two h ASP 60 N 0.00 0.00 0.22 -0.43 3.32 -1.86 2.60 116.42 120.27 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 0.05 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.63 1two h ASP 60 CO 0.00 0.18 -1.30 -0.37 -1.72 0.00 0.00 179.24 176.03 1two h VAL 61 N 0.00 1.34 0.10 -1.35 -1.51 -0.73 -3.22 116.25 110.88 1two h VAL 61 Ca -0.00 -2.64 -0.17 0.00 -1.23 0.00 0.00 66.70 62.66 1two h VAL 61 Cb 0.57 3.06 0.01 0.00 -2.13 0.00 0.00 31.29 32.80 1two h VAL 61 CO 0.02 0.78 -0.81 -0.37 -1.23 0.00 0.00 177.57 175.97 1two h VAL 62 N 0.03 1.44 -3.64 7.19 -1.51 -1.47 -3.43 116.25 114.86 1two h VAL 62 Ca -0.22 -2.46 -0.64 0.00 -1.23 0.00 0.00 66.70 62.15 1two h VAL 62 Cb 2.02 3.09 -0.39 0.00 -2.13 0.00 0.00 31.29 33.88 1two h VAL 62 CO 0.24 0.67 -0.76 1.51 -1.23 0.00 0.00 177.57 178.00 1two s ASP 63 N -6.84 4.30 0.04 4.19 -4.77 0.87 -4.75 116.67 109.71 1two s ASP 63 Ca -0.17 -1.61 -0.17 0.00 -3.30 0.00 0.00 52.55 47.30 1two s ASP 63 Cb 0.01 -1.36 -0.22 0.00 -1.09 0.00 0.00 42.92 40.26 1two s ASP 63 CO 0.78 -0.30 1.17 1.55 0.70 0.00 0.00 175.17 179.07 1two h PRO 64 N 7.82 0.54 -0.11 2.11 0.13 -1.72 -3.27 132.00 137.49 1two h PRO 64 Ca -0.13 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1two h PRO 64 Cb 1.04 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1two h PRO 64 CO 0.47 1.16 0.00 -0.25 -0.23 0.00 0.00 178.00 179.14 1two n ASP 65 N -4.11 2.16 0.00 1.44 9.92 -1.26 -4.94 116.55 119.75 1two n ASP 65 Ca -0.10 -1.61 0.00 0.00 -0.53 0.00 0.00 54.79 52.55 1two n ASP 65 Cb 0.71 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1two n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1two n GLY 66 N 0.48 1.01 0.38 0.44 0.00 -1.25 -4.99 105.19 101.26 1two n GLY 66 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 0.59 -1.47 1.61 -1.24 -1.85 -3.46 115.58 109.76 1two h ASN 67 Ca 0.00 0.06 0.09 0.00 0.71 0.00 0.00 56.30 57.16 1two h ASN 67 Cb 0.00 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1two h ASN 67 CO 0.00 0.24 0.31 0.00 -1.29 0.00 0.00 177.43 176.70 1two n LEU 68 N -4.60 0.00 -3.51 0.34 -0.00 -1.26 -2.52 117.00 105.45 1two n LEU 68 Ca 0.20 -0.64 -0.15 0.00 -0.00 0.00 0.00 56.01 55.42 1two n LEU 68 Cb 0.60 1.31 -0.12 0.00 -0.00 0.00 0.00 43.42 45.21 1two n LEU 68 CO 0.27 -0.21 -0.15 -1.00 -0.00 0.00 0.00 177.39 176.30 1two s HIS 69 N -3.86 -0.43 0.22 1.47 3.76 -1.22 -4.61 115.29 110.62 1two s HIS 69 Ca 0.12 0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 55.33 1two s HIS 69 Cb -0.01 -0.19 -0.16 0.00 1.11 0.00 0.00 32.58 33.33 1two s HIS 69 CO 0.02 -0.56 0.44 1.58 -0.85 0.00 0.00 174.74 175.38 1two n HIS 70 N 5.34 -0.67 0.00 1.40 -0.00 -1.26 0.30 115.22 120.33 1two n HIS 70 Ca -0.05 0.88 0.00 0.00 0.46 0.00 0.00 57.72 59.01 1two n HIS 70 Cb 0.50 -1.84 0.00 0.00 -0.12 0.00 0.00 29.99 28.52 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 1.95 1.34 2.65 1.57 0.00 -1.26 -4.68 105.19 106.76 1two n GLY 71 Ca 0.16 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1two n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1two s ASN 72 N 0.00 3.13 0.23 1.61 2.47 0.15 -4.93 114.94 117.59 1two s ASN 72 Ca 0.00 -3.45 -0.32 0.00 0.42 0.00 0.00 52.86 49.51 1two s ASN 72 Cb 0.00 -1.03 -0.12 0.00 -1.45 0.00 0.00 41.25 38.65 1two s ASN 72 CO 0.00 -0.13 1.68 0.00 -3.72 0.00 0.00 177.10 174.93 1two n ALA 73 N 2.42 2.68 -0.50 1.71 0.00 -0.69 -3.39 120.51 122.73 1two n ALA 73 Ca 0.25 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.80 1two n ALA 73 Cb 0.41 -2.50 0.26 0.00 0.00 0.00 0.00 19.45 17.63 1two n ALA 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1two s LYS 74 N 0.70 -1.23 0.00 0.00 2.20 -1.26 -4.79 119.74 115.35 1two s LYS 74 Ca 0.72 0.78 0.19 0.00 -0.36 0.00 0.00 55.97 57.30 1two s LYS 74 Cb -0.51 -1.52 1.11 0.00 -1.51 0.00 0.00 37.83 35.40 1two s LYS 74 CO 0.37 -3.92 1.52 -0.25 -0.36 0.00 0.00 175.35 172.71 1two n ASP 75 N -5.05 0.00 -0.10 1.43 9.92 -1.26 -2.10 116.55 119.40 1two n ASP 75 Ca 0.03 -0.65 -0.10 0.00 -0.53 0.00 0.00 54.79 53.55 1two n ASP 75 Cb 0.54 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.87 1two n ASP 75 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1two n PHE 76 N -0.97 0.00 0.00 1.24 7.35 -1.26 -4.33 117.46 119.49 1two n PHE 76 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1two n PHE 76 Cb 0.06 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 38.95 1two n PHE 76 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1two n ALA 77 N -2.72 -0.15 -0.45 3.13 0.00 -0.89 -0.26 120.51 119.17 1two n ALA 77 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1two n ALA 77 Cb 1.12 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.56 1two n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1two n MET 78 N -1.00 0.91 0.07 0.00 0.00 -1.25 -3.01 117.12 112.85 1two n MET 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.49 1two n MET 78 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 31.86 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 1.95 0.00 0.00 3.17 0.00 -1.12 -4.49 118.16 117.68 1two n LYS 79 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.48 1two n LYS 79 Cb 0.44 0.00 0.43 0.00 0.00 0.00 0.00 35.03 35.90 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 -2.96 0.00 -2.70 5.64 1.44 0.64 -3.16 115.22 114.12 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 -0.26 0.10 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 0.14 1.74 3.02 -1.39 0.00 -1.18 -5.09 105.19 102.43 1two n GLY 81 Ca 0.08 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.80 1.02 0.37 4.61 0.00 -1.19 -4.87 121.76 120.91 1two s ALA 82 Ca 0.18 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1two s ALA 82 Cb 0.42 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 1two s ALA 82 CO -0.09 0.14 1.06 -0.51 0.00 0.00 0.00 175.76 176.37 1two s ASP 83 N 0.31 6.86 0.49 0.00 1.01 -1.26 -4.81 116.67 119.27 1two s ASP 83 Ca -0.06 2.10 0.34 0.00 0.71 0.00 0.00 52.55 55.64 1two s ASP 83 Cb -0.11 -2.60 1.47 0.00 1.01 0.00 0.00 42.92 42.69 1two s ASP 83 CO 0.01 -0.42 1.70 -0.33 0.21 0.00 0.00 175.17 176.34 1two h GLU 84 N 2.79 0.10 0.06 8.23 5.08 -2.00 0.79 114.58 129.63 1two h GLU 84 Ca -0.48 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.69 1two h GLU 84 Cb 1.22 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1two h GLU 84 CO 0.63 0.07 -0.74 0.00 -1.00 0.00 0.00 179.01 177.97 1two h THR 85 N 0.10 1.44 -0.14 1.13 1.03 -2.01 -3.18 112.91 111.28 1two h THR 85 Ca 0.72 -2.26 0.04 0.00 -0.01 0.00 0.00 66.41 64.90 1two h THR 85 Cb 2.52 2.79 -0.01 0.00 -1.07 0.00 0.00 68.15 72.38 1two h THR 85 CO -0.19 0.66 0.26 0.00 -0.01 0.00 0.00 175.52 176.24 1two h MET 86 N -0.14 0.00 0.27 0.00 -0.00 0.21 1.57 114.93 116.84 1two h MET 86 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 1two h MET 86 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.09 1two h MET 86 CO 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 176.91 176.92 1two h ALA 87 N 1.61 -0.36 0.06 -3.00 0.00 -1.23 -2.45 119.26 113.88 1two h ALA 87 Ca 0.07 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1two h ALA 87 Cb 0.60 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1two h ALA 87 CO -0.00 -0.69 -1.78 0.94 0.00 0.00 0.00 179.25 177.72 1two n GLN 88 N -5.24 0.66 -0.25 0.00 0.00 -0.40 -3.94 117.38 108.21 1two n GLN 88 Ca -0.10 0.38 -0.09 0.00 -0.00 0.00 0.00 57.00 57.20 1two n GLN 88 Cb 0.17 -1.69 -0.07 0.00 0.00 0.00 0.00 30.24 28.64 1two n GLN 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1two h GLN 89 N -0.46 -0.08 -0.78 3.69 1.08 0.21 0.55 115.11 119.32 1two h GLN 89 Ca -0.43 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 56.95 1two h GLN 89 Cb 1.69 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 29.03 1two h GLN 89 CO -0.09 -0.06 0.24 -0.07 -0.95 0.00 0.00 178.83 177.91 1two h LEU 90 N -0.09 0.12 -1.71 1.46 4.07 -1.61 1.81 115.31 119.37 1two h LEU 90 Ca 0.10 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1two h LEU 90 Cb 0.35 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1two h LEU 90 CO -0.63 -0.01 0.23 0.58 -1.08 0.00 0.00 178.44 177.53 1two h VAL 91 N 0.32 0.00 0.05 1.22 2.07 -0.06 1.60 116.25 121.45 1two h VAL 91 Ca 0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.97 1two h VAL 91 Cb 0.78 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1two h VAL 91 CO -0.50 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.28 1two h ASP 92 N 0.00 -0.06 -0.15 0.57 3.58 0.40 -2.70 116.42 118.06 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 0.46 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1two h ASP 92 CO 0.00 0.03 -0.03 0.16 -2.88 0.00 0.00 179.24 176.52 1two h ILE 93 N -0.21 1.28 -0.36 2.25 -2.65 -1.28 -2.25 117.51 114.28 1two h ILE 93 Ca -0.01 -0.96 0.10 0.00 1.03 0.00 0.00 64.86 65.02 1two h ILE 93 Cb 0.05 1.61 -0.01 0.00 -2.05 0.00 0.00 36.82 36.42 1two h ILE 93 CO 0.01 0.28 0.45 0.40 0.03 0.00 0.00 178.15 179.32 1two h ILE 94 N -0.00 0.31 -0.00 0.16 2.04 0.21 1.40 117.51 121.62 1two h ILE 94 Ca 0.04 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.73 1two h ILE 94 Cb 0.45 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1two h ILE 94 CO 0.01 0.00 -0.81 0.45 0.00 0.00 0.00 178.15 177.80 1two h HIS 95 N 0.00 0.06 0.00 1.37 3.86 -1.06 0.64 115.15 120.02 1two h HIS 95 Ca 0.17 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.23 1two h HIS 95 Cb 1.07 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 1two h HIS 95 CO 0.00 0.83 -1.14 0.78 0.86 0.00 0.00 177.93 179.26 1two h GLY 96 N 2.27 0.00 0.00 2.45 0.00 0.18 -3.19 103.07 104.78 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 -0.46 0.00 0.00 0.00 0.00 176.54 176.19 1two h GLU 98 N -0.90 0.14 -0.02 0.00 4.22 0.09 3.26 114.58 121.36 1two h GLU 98 Ca 0.00 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.28 1two h GLU 98 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1two h GLU 98 CO 0.00 0.09 -0.68 1.57 -2.18 0.00 0.00 179.01 177.81 1two h LYS 99 N 0.14 0.08 -0.00 1.92 5.09 -1.67 -2.90 116.57 119.22 1two h LYS 99 Ca 0.69 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 61.36 1two h LYS 99 Cb 2.30 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.65 1two h LYS 99 CO -0.20 0.73 -0.69 0.45 -2.09 0.00 0.00 179.45 177.64 1two n SER 100 N -3.76 0.99 -3.90 7.07 2.88 0.85 -4.54 113.62 113.20 1two n SER 100 Ca -0.02 -0.82 -0.30 0.00 -1.33 0.00 0.00 58.87 56.40 1two n SER 100 Cb 0.67 0.60 -0.10 0.00 -0.75 0.00 0.00 64.21 64.63 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 -1.21 3.59 -1.53 -1.46 0.00 0.89 -5.04 120.51 115.75 1two n ALA 101 Ca 0.06 -4.58 -0.29 0.00 0.00 0.00 0.00 53.44 48.63 1two n ALA 101 Cb 0.35 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.57 0.77 0.00 0.00 0.04 -1.25 -4.66 135.00 128.33 1two s PRO 102 Ca 0.27 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.44 1two s PRO 102 Cb -0.03 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1two s PRO 102 CO -0.14 -2.42 2.04 -0.35 0.04 0.00 0.00 177.00 176.16 1two n PRO 103 N -3.89 1.05 -1.73 0.56 -0.04 -1.26 -4.38 135.00 125.31 1two n PRO 103 Ca 0.09 -0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 62.88 1two n PRO 103 Cb 0.59 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.70 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 2.10 4.58 0.54 3.54 3.84 -1.26 -4.83 114.94 123.46 1two s ASN 104 Ca 0.20 2.60 0.29 0.00 0.21 0.00 0.00 52.86 56.16 1two s ASN 104 Cb 0.10 -2.62 1.46 0.00 -0.55 0.00 0.00 41.25 39.63 1two s ASN 104 CO 0.00 -2.02 1.93 0.44 -2.79 0.00 0.00 177.10 174.66 1two h ASP 105 N 0.49 0.00 -0.17 -4.21 3.32 -2.05 0.71 116.42 114.51 1two h ASP 105 Ca -0.51 0.00 -0.09 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 0.53 0.00 0.11 -0.67 -1.72 0.00 0.00 179.24 177.49 1two n ASP 106 N -4.21 3.05 -0.61 6.45 2.03 -1.26 -4.41 116.55 117.60 1two n ASP 106 Ca 0.14 -2.28 0.48 0.00 0.52 0.00 0.00 54.79 53.65 1two n ASP 106 Cb 0.79 -0.56 0.76 0.00 -0.72 0.00 0.00 41.12 41.40 1two n ASP 106 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1two h LYS 107 N 0.21 0.00 -0.62 -0.67 2.10 0.14 1.95 116.57 119.67 1two h LYS 107 Ca 0.11 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.88 1two h LYS 107 Cb 1.30 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.54 1two h LYS 107 CO 0.19 0.00 0.14 0.00 -2.00 0.00 0.00 179.45 177.78 1two n MET 109 N -5.13 0.86 0.00 0.00 0.00 0.62 -3.97 117.12 109.50 1two n MET 109 Ca 0.10 -0.41 0.00 0.00 -0.00 0.00 0.00 57.70 57.39 1two n MET 109 Cb 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.13 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 -0.86 0.00 -0.30 2.12 3.00 0.11 -3.85 118.16 118.38 1two n LYS 110 Ca 0.06 0.02 0.13 0.00 -0.00 0.00 0.00 58.31 58.52 1two n LYS 110 Cb 0.36 -0.30 0.29 0.00 0.00 0.00 0.00 35.03 35.38 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 0.27 -0.84 3.15 2.02 -0.71 0.78 112.91 117.58 1two h THR 111 Ca 0.00 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 67.33 1two h THR 111 Cb 0.00 0.08 -0.13 0.00 -1.74 0.00 0.00 68.15 66.37 1two h THR 111 CO 0.00 0.03 0.26 -0.29 0.37 0.00 0.00 175.52 175.89 1two h ILE 112 N 0.17 0.43 -0.92 3.11 -0.00 -1.63 0.62 117.51 119.29 1two h ILE 112 Ca 0.56 -0.10 0.27 0.00 -0.00 0.00 0.00 64.86 65.59 1two h ILE 112 Cb 1.15 0.12 -0.15 0.00 -0.00 0.00 0.00 36.82 37.93 1two h ILE 112 CO -0.69 0.05 0.31 -0.78 -0.00 0.00 0.00 178.15 177.04 1two h ASP 113 N 0.29 0.09 0.11 2.19 3.58 0.49 1.11 116.42 124.28 1two h ASP 113 Ca 0.51 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 58.16 1two h ASP 113 Cb 0.96 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1two h ASP 113 CO -0.57 -0.18 -0.05 0.58 -2.88 0.00 0.00 179.24 176.14 1two h VAL 114 N 0.21 0.87 -0.09 2.25 2.07 0.13 0.89 116.25 122.57 1two h VAL 114 Ca 0.61 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1two h VAL 114 Cb 1.30 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1two h VAL 114 CO -0.67 0.25 0.52 0.00 0.02 0.00 0.00 177.57 177.69 1two h ALA 115 N -0.37 1.63 0.00 1.67 0.00 0.85 0.33 119.26 123.37 1two h ALA 115 Ca -0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 1two h ALA 115 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1two h ALA 115 CO 0.03 -0.57 -2.33 -0.12 0.00 0.00 0.00 179.25 176.26 1two n MET 116 N -2.92 0.75 -0.20 0.00 0.00 0.37 -3.97 117.12 111.14 1two n MET 116 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 57.70 57.76 1two n MET 116 Cb 0.59 -1.48 0.04 0.00 0.00 0.00 0.00 33.22 32.37 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 -0.07 0.42 -0.01 0.00 3.57 -1.62 -1.94 116.94 117.28 1two h PHE 118 Ca 0.27 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1two h PHE 118 Cb 0.50 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1two h PHE 118 CO -0.55 0.54 -0.54 0.87 -2.23 0.00 0.00 178.31 176.39 1two h LYS 119 N 0.36 0.03 -0.33 1.11 1.79 0.05 -2.74 116.57 116.84 1two h LYS 119 Ca 0.07 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1two h LYS 119 Cb 0.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1two h LYS 119 CO 0.03 0.57 -0.26 1.57 -1.08 0.00 0.00 179.45 180.28 1two h LYS 120 N 0.03 0.68 -0.33 3.15 2.10 0.27 -2.36 116.57 120.11 1two h LYS 120 Ca -0.00 -0.28 0.10 0.00 -2.00 0.00 0.00 60.65 58.46 1two h LYS 120 Cb 0.96 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1two h LYS 120 CO 0.07 0.87 0.29 0.93 -2.00 0.00 0.00 179.45 179.61 1two h GLU 121 N 0.59 0.00 -0.41 0.07 4.39 -1.12 0.29 114.58 118.39 1two h GLU 121 Ca 0.08 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1two h GLU 121 Cb 0.75 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1two h GLU 121 CO 0.06 0.00 -0.11 0.82 -1.16 0.00 0.00 179.01 178.62 1two h ILE 122 N 0.00 1.25 0.00 3.13 1.08 -1.46 -2.18 117.51 119.33 1two h ILE 122 Ca 0.16 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1two h ILE 122 Cb 0.73 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1two h ILE 122 CO -0.00 0.39 0.72 -0.74 -0.69 0.00 0.00 178.15 177.82 1two h HIS 123 N 0.66 0.00 -0.54 1.37 -0.00 -0.49 3.11 115.15 119.25 1two h HIS 123 Ca 0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.29 1two h HIS 123 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 27.87 1two h HIS 123 CO 0.03 0.00 0.24 1.63 -0.00 0.00 0.00 177.93 179.83 1two n LYS 124 N -2.58 2.65 0.00 5.26 5.02 -0.82 -4.55 118.16 123.13 1two n LYS 124 Ca -0.01 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1two n LYS 124 Cb 0.74 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.14 0.00 -0.06 -0.35 -0.00 1.04 -4.60 117.00 112.88 1two n LEU 125 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.21 1two n LEU 125 Cb 1.11 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.38 1two n LEU 125 CO 0.32 0.00 -0.87 -3.20 -0.00 0.00 0.00 177.39 173.65 1two n ASN 126 N 0.00 0.71 -4.79 1.45 5.15 -1.26 -4.87 115.26 111.64 1two n ASN 126 Ca 0.00 0.19 -0.36 0.00 -0.60 0.00 0.00 54.58 53.81 1two n ASN 126 Cb 0.00 0.28 -0.07 0.00 -0.53 0.00 0.00 39.78 39.46 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 -2.54 3.51 -0.29 1.20 1.48 -1.26 -5.07 118.94 115.96 1two s TRP 127 Ca -0.11 0.49 -0.08 0.00 -1.06 0.00 0.00 56.10 55.34 1two s TRP 127 Cb 0.07 -2.12 -0.01 0.00 -1.16 0.00 0.00 33.47 30.25 1two s TRP 127 CO 0.81 0.47 0.11 0.08 -4.06 0.00 0.00 176.95 174.36 1two s VAL 128 N -0.23 4.40 0.00 -0.66 1.01 -1.26 -4.04 120.40 119.61 1two s VAL 128 Ca 0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1two s VAL 128 Cb -0.12 -3.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.86 1two s VAL 128 CO 0.02 0.15 2.84 -0.81 0.00 0.00 0.00 175.10 177.30 1two n PRO 129 N 4.94 1.50 -0.45 2.72 -0.04 -1.26 -4.55 135.00 137.86 1two n PRO 129 Ca -0.15 -0.74 0.37 0.00 -0.04 0.00 0.00 63.50 62.94 1two n PRO 129 Cb 0.50 -1.87 0.66 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.23 -3.57 3.54 -1.24 -1.99 -3.25 115.58 113.03 1two h ASN 130 Ca 0.14 0.11 -0.71 0.00 0.71 0.00 0.00 56.30 56.55 1two h ASN 130 Cb 1.14 0.09 -0.26 0.00 0.73 0.00 0.00 38.32 40.02 1two h ASN 130 CO 0.29 -0.13 -0.52 -0.32 -1.29 0.00 0.00 177.43 175.47 1two s MET 131 N -5.26 2.74 -0.14 6.67 1.75 -1.26 -5.06 119.30 118.73 1two s MET 131 Ca -0.07 -1.19 0.02 0.00 -1.25 0.00 0.00 55.69 53.20 1two s MET 131 Cb 0.29 -3.71 0.01 0.00 2.84 0.00 0.00 34.83 34.26 1two s MET 131 CO 0.82 -0.76 -0.22 0.16 -0.65 0.00 0.00 175.02 174.38 1two s ASP 132 N 1.67 3.11 -0.47 1.11 -4.77 -1.23 -4.02 116.67 112.07 1two s ASP 132 Ca 0.02 -0.61 -0.44 0.00 -3.30 0.00 0.00 52.55 48.22 1two s ASP 132 Cb -0.20 -1.45 -0.18 0.00 -1.09 0.00 0.00 42.92 40.00 1two s ASP 132 CO 0.05 0.07 1.94 0.00 0.70 0.00 0.00 175.17 177.93 1two n LEU 133 N 4.12 1.14 -0.00 2.11 -0.00 -1.26 -4.74 117.00 118.37 1two n LEU 133 Ca -0.20 0.86 0.02 0.00 -0.00 0.00 0.00 56.01 56.69 1two n LEU 133 Cb 0.51 -0.94 -0.02 0.00 -0.00 0.00 0.00 43.42 42.97 1two n LEU 133 CO 0.27 -0.76 -0.04 0.55 -0.00 0.00 0.00 177.39 177.40 1two n VAL 134 N 5.59 0.00 -0.01 1.47 3.14 -1.26 -4.54 118.33 122.71 1two n VAL 134 Ca 0.44 -0.38 0.06 0.00 -2.96 0.00 0.00 64.34 61.50 1two n VAL 134 Cb -0.01 0.96 -0.12 0.00 -1.06 0.00 0.00 33.84 33.61 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 -1.13 0.10 -2.18 1.55 -0.00 -1.26 -5.00 119.36 111.44 1two n ILE 135 Ca 0.01 -0.38 -0.04 0.00 -0.00 0.00 0.00 62.75 62.34 1two n ILE 135 Cb 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 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 0.32 3.38 3.28 0.00 -1.26 -5.05 105.19 107.54 1two n GLY 136 Ca -0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.37 1.56 -0.13 1.61 2.02 -1.26 -5.09 118.70 113.04 1two s GLU 137 Ca 0.02 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 52.84 1two s GLU 137 Cb -0.01 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.70 1two s GLU 137 CO 0.02 -0.30 1.84 0.14 0.02 0.00 0.00 175.26 176.99 1two s VAL 138 N -3.54 3.36 0.00 2.63 -7.23 -1.26 -3.98 120.40 110.38 1two s VAL 138 Ca 0.36 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1two s VAL 138 Cb 0.07 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1two s VAL 138 CO 0.15 -0.13 0.00 -0.11 -0.31 0.00 0.00 175.10 174.70 1two n LEU 139 N 8.74 0.00 -4.88 1.32 0.00 -1.26 -5.14 117.00 115.77 1two n LEU 139 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.92 1two n LEU 139 Cb 0.44 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.91 1two n LEU 139 CO 0.66 0.00 0.75 0.00 0.00 0.00 0.00 177.39 178.79 1two s ALA 140 N 0.00 2.86 -1.05 1.96 0.00 -1.26 -4.91 121.76 119.36 1two s ALA 140 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1two s ALA 140 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1two s ALA 140 CO 0.00 -1.17 1.91 -1.21 0.00 0.00 0.00 175.76 175.29 1two s GLU 141 N -5.35 2.63 0.00 0.00 2.02 -1.26 -4.86 118.70 111.89 1two s GLU 141 Ca 0.58 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1two s GLU 141 Cb -0.11 -5.18 0.00 0.00 0.10 0.00 0.00 34.13 28.94 1two s GLU 141 CO 0.52 -3.56 0.00 0.28 0.02 0.00 0.00 175.26 172.52