#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 0.39 0.15 4.33 -0.04 -1.26 -4.67 135.00 133.90 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 -0.82 0.54 4.39 -1.91 0.24 114.58 117.02 1two h GLU 3 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1two h GLU 3 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1two h GLU 3 CO 0.00 0.00 0.54 0.82 -1.16 0.00 0.00 179.01 179.21 1two h ILE 4 N 0.00 1.04 0.00 3.13 1.08 -1.88 0.46 117.51 121.34 1two h ILE 4 Ca 0.14 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1two h ILE 4 Cb 0.83 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 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 -4.48 0.25 -3.96 2.37 1.56 0.85 -4.28 117.12 109.42 1two n MET 5 Ca 0.12 0.13 -0.31 0.00 -0.27 0.00 0.00 57.70 57.37 1two n MET 5 Cb 0.21 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 33.93 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 -2.52 1.51 0.01 2.12 1.02 0.16 -5.05 119.74 116.99 1two s LYS 6 Ca 0.16 -1.43 0.07 0.00 0.02 0.00 0.00 55.97 54.79 1two s LYS 6 Cb 0.10 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1two s LYS 6 CO 0.23 -0.80 -0.22 0.54 -0.92 0.00 0.00 175.35 174.19 1two s ASN 7 N 1.18 2.56 1.23 2.83 4.22 -1.26 -4.90 114.94 120.80 1two s ASN 7 Ca 0.03 -0.45 -0.15 0.00 -2.14 0.00 0.00 52.86 50.15 1two s ASN 7 Cb -0.19 -0.25 0.29 0.00 1.28 0.00 0.00 41.25 42.38 1two s ASN 7 CO -0.10 0.23 0.86 -0.11 -2.04 0.00 0.00 177.10 175.94 1two n LEU 8 N 2.24 -1.82 0.00 3.54 -0.00 -1.26 -4.80 117.00 114.89 1two n LEU 8 Ca -0.16 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 1two n LEU 8 Cb 0.53 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1two n LEU 8 CO 0.23 -3.50 0.11 -1.20 -0.00 0.00 0.00 177.39 173.03 1two n SER 9 N -4.70 0.00 0.00 1.96 7.64 -1.26 -3.30 113.62 113.97 1two n SER 9 Ca 0.03 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1two n SER 9 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1two n SER 9 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1two n ASN 10 N -0.35 3.92 -0.33 6.43 5.03 -1.26 -4.02 115.26 124.68 1two n ASN 10 Ca 0.00 0.00 0.28 0.00 0.87 0.00 0.00 54.58 55.73 1two n ASN 10 Cb 0.00 0.06 0.47 0.00 -1.02 0.00 0.00 39.78 39.29 1two n ASN 10 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1two n ASN 11 N -2.39 0.15 0.00 6.41 5.15 -1.26 0.40 115.26 123.73 1two n ASN 11 Ca 0.00 0.97 -0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1two n ASN 11 Cb 0.48 -0.47 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1two n ASN 11 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1two n PHE 12 N -4.08 0.00 -0.49 1.20 3.72 -1.26 -4.00 117.46 112.55 1two n PHE 12 Ca 0.28 0.00 0.40 0.00 -0.05 0.00 0.00 57.45 58.09 1two n PHE 12 Cb 1.09 -0.02 0.69 0.00 -0.94 0.00 0.00 39.48 40.30 1two n PHE 12 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1two h GLY 13 N -0.03 1.19 0.00 1.37 0.00 -1.52 2.69 103.07 106.77 1two h GLY 13 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1two h GLY 13 CO 0.00 -0.40 -0.23 1.70 0.00 0.00 0.00 176.54 177.61 1two h LYS 14 N 0.03 0.00 -0.69 4.80 3.11 -0.21 -1.66 116.57 121.95 1two h LYS 14 Ca 0.86 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.76 1two h LYS 14 Cb 2.84 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 34.01 1two h LYS 14 CO -0.40 0.82 0.39 0.00 -2.81 0.00 0.00 179.45 177.46 1two h ALA 15 N -0.26 0.93 -0.42 5.00 0.00 0.83 1.68 119.26 127.03 1two h ALA 15 Ca -0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1two h ALA 15 Cb 0.89 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1two h ALA 15 CO -0.04 0.08 -0.12 0.52 0.00 0.00 0.00 179.25 179.70 1two h MET 16 N 0.73 0.81 -0.14 0.00 2.86 0.43 0.56 114.93 120.18 1two h MET 16 Ca 0.31 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1two h MET 16 Cb 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1two h MET 16 CO -0.18 0.94 -0.08 0.22 1.06 0.00 0.00 176.91 178.88 1two h ASP 17 N 0.63 0.31 -0.46 1.22 1.82 -0.47 -1.52 116.42 117.96 1two h ASP 17 Ca 0.10 -0.42 -0.08 0.00 -0.39 0.00 0.00 57.03 56.25 1two h ASP 17 Cb 0.65 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 1two h ASP 17 CO 0.04 0.67 0.02 1.56 -1.61 0.00 0.00 179.24 179.92 1two h GLN 18 N -0.04 0.86 -0.71 0.28 4.20 0.25 -2.17 115.11 117.79 1two h GLN 18 Ca 0.03 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1two h GLN 18 Cb 0.55 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1two h GLN 18 CO 0.02 0.85 0.36 0.00 -0.67 0.00 0.00 178.83 179.40 1two n LYS 20 N -4.35 0.11 -0.00 0.00 4.81 -0.58 -0.69 118.16 117.46 1two n LYS 20 Ca 0.07 0.22 -0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1two n LYS 20 Cb 0.12 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 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 -1.34 0.14 -0.32 3.14 2.03 0.91 -3.14 116.55 117.97 1two n ASP 21 Ca 0.04 0.02 0.14 0.00 0.52 0.00 0.00 54.79 55.51 1two n ASP 21 Cb 0.09 -0.26 0.32 0.00 -0.72 0.00 0.00 41.12 40.56 1two n ASP 21 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1two h GLU 22 N -0.04 0.45 0.00 -0.67 4.11 0.52 0.40 114.58 119.34 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 0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1two h GLU 22 CO 0.00 0.30 -1.07 1.28 0.07 0.00 0.00 179.01 179.58 1two n LEU 23 N -4.99 0.80 -0.87 3.06 4.77 0.13 -4.93 117.00 114.97 1two n LEU 23 Ca 0.23 -0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1two n LEU 23 Cb 0.67 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1two n LEU 23 CO 0.14 0.19 -0.07 -0.24 -1.33 0.00 0.00 177.39 176.08 1two n SER 24 N -1.63 -3.03 -4.92 -1.43 2.88 0.14 -4.89 113.62 100.74 1two n SER 24 Ca 0.03 0.18 -0.27 0.00 -1.33 0.00 0.00 58.87 57.48 1two n SER 24 Cb 0.37 -2.58 0.08 0.00 -0.75 0.00 0.00 64.21 61.33 1two n SER 24 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1two s LEU 25 N -2.28 2.69 -0.13 2.46 -0.00 -1.23 -4.86 118.68 115.33 1two s LEU 25 Ca 0.00 0.59 -0.29 0.00 -0.00 0.00 0.00 54.13 54.42 1two s LEU 25 Cb 0.00 -3.17 -0.02 0.00 -0.00 0.00 0.00 46.19 42.99 1two s LEU 25 CO 0.00 -1.72 1.26 -2.16 -0.00 0.00 0.00 176.35 173.73 1two s PRO 26 N -5.38 4.26 0.00 1.48 0.04 -1.26 -4.21 135.00 129.94 1two s PRO 26 Ca 0.61 1.69 0.13 0.00 0.04 0.00 0.00 61.00 63.47 1two s PRO 26 Cb -0.11 -3.71 0.80 0.00 0.04 0.00 0.00 34.50 31.52 1two s PRO 26 CO 0.46 -0.64 1.22 -3.47 0.04 0.00 0.00 177.00 174.62 1two n ASP 27 N 6.20 0.00 0.10 6.66 -0.08 -1.26 -2.05 116.55 126.12 1two n ASP 27 Ca 0.13 -0.43 -0.23 0.00 -1.51 0.00 0.00 54.79 52.76 1two n ASP 27 Cb 0.45 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.76 1two n ASP 27 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1two h SER 28 N 0.00 0.68 -0.25 1.67 4.64 -1.96 -1.55 113.55 116.78 1two h SER 28 Ca 0.00 -0.94 -0.07 0.00 -0.47 0.00 0.00 61.79 60.32 1two h SER 28 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1two h SER 28 CO 0.00 1.57 -0.06 -0.37 -0.87 0.00 0.00 176.83 177.10 1two h VAL 29 N -0.09 1.23 -0.18 0.95 -1.51 -1.82 0.83 116.25 115.65 1two h VAL 29 Ca -0.20 -0.97 -0.21 0.00 -1.23 0.00 0.00 66.70 64.09 1two h VAL 29 Cb 1.93 1.01 0.01 0.00 -2.13 0.00 0.00 31.29 32.11 1two h VAL 29 CO 0.22 0.33 -0.70 -0.37 -1.23 0.00 0.00 177.57 175.81 1two h VAL 30 N 0.57 1.28 0.00 7.19 -1.51 -1.62 -2.78 116.25 119.39 1two h VAL 30 Ca 0.11 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1two h VAL 30 Cb 0.45 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1two h VAL 30 CO 0.02 0.61 0.00 0.00 -1.23 0.00 0.00 177.57 176.97 1two h ALA 31 N 0.57 1.00 -0.14 5.19 0.00 -0.85 -2.04 119.26 123.00 1two h ALA 31 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1two h ALA 31 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1two h ALA 31 CO 0.15 0.00 -0.49 0.22 0.00 0.00 0.00 179.25 179.13 1two h ASP 32 N 0.00 0.39 -0.78 0.00 1.82 -0.55 -2.66 116.42 114.63 1two h ASP 32 Ca 0.00 -0.19 0.18 0.00 -0.39 0.00 0.00 57.03 56.63 1two h ASP 32 Cb 0.43 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.28 1two h ASP 32 CO 0.00 0.81 0.53 -0.07 -1.61 0.00 0.00 179.24 178.91 1two h LEU 33 N 0.28 0.28 -0.89 2.28 3.38 -1.31 0.92 115.31 120.25 1two h LEU 33 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1two h LEU 33 Cb 0.97 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1two h LEU 33 CO 0.08 0.13 -0.14 0.22 0.09 0.00 0.00 178.44 178.82 1two h TYR 34 N 0.29 0.00 0.00 1.13 3.20 -1.59 -3.33 116.97 116.67 1two h TYR 34 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1two h TYR 34 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1two h TYR 34 CO -0.00 0.14 0.00 -1.71 -1.64 0.00 0.00 178.16 174.95 1two n ASN 35 N -3.22 0.00 0.00 -2.11 2.85 0.31 -4.92 115.26 108.17 1two n ASN 35 Ca 0.01 0.62 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 1two n ASN 35 Cb 0.44 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 41.12 1two n ASN 35 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1two n PHE 36 N -1.53 0.00 -0.57 1.20 3.72 -1.07 -5.00 117.46 114.21 1two n PHE 36 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1two n PHE 36 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.98 -0.24 1.38 4.27 -1.25 -4.53 117.44 119.06 1two n TRP 37 Ca 0.00 -1.07 -0.02 0.00 -3.89 0.00 0.00 57.50 52.52 1two n TRP 37 Cb 0.00 -0.61 0.04 0.00 -1.36 0.00 0.00 31.31 29.38 1two n TRP 37 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1two h LYS 38 N 1.79 -0.08 -1.24 -2.67 1.57 -1.86 1.56 116.57 115.64 1two h LYS 38 Ca 0.26 0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.40 1two h LYS 38 Cb 2.05 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.30 1two h LYS 38 CO 0.62 -0.05 0.85 0.38 -0.57 0.00 0.00 179.45 180.68 1two h ASP 39 N -0.08 0.18 -1.49 0.86 2.03 -1.85 -3.13 116.42 112.93 1two h ASP 39 Ca 0.29 0.05 -0.66 0.00 -0.73 0.00 0.00 57.03 55.98 1two h ASP 39 Cb 0.55 0.03 -0.12 0.00 -0.83 0.00 0.00 39.33 38.95 1two h ASP 39 CO -0.74 -0.01 1.52 -0.62 -1.03 0.00 0.00 179.24 178.36 1two s ASP 40 N -4.95 6.71 0.02 4.15 -1.08 0.53 -4.95 116.67 117.10 1two s ASP 40 Ca -0.07 -2.09 0.00 0.00 -0.52 0.00 0.00 52.55 49.87 1two s ASP 40 Cb 0.25 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1two s ASP 40 CO 0.82 -1.20 0.00 -1.22 0.52 0.00 0.00 175.17 174.09 1two n TYR 41 N 7.73 -3.02 -0.36 -5.34 4.01 -1.19 -4.79 117.16 114.21 1two n TYR 41 Ca 0.36 0.00 0.29 0.00 -0.16 0.00 0.00 57.90 58.39 1two n TYR 41 Cb 0.48 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 40.00 1two n TYR 41 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1two n VAL 42 N -1.02 -0.15 -0.48 -0.72 0.31 -1.20 0.16 118.33 115.23 1two n VAL 42 Ca 0.00 1.22 0.41 0.00 -0.01 0.00 0.00 64.34 65.95 1two n VAL 42 Cb 0.00 -2.00 0.62 0.00 -0.91 0.00 0.00 33.84 31.56 1two n VAL 42 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1two n MET 43 N -3.95 0.01 0.00 5.55 0.00 -1.26 -2.16 117.12 115.30 1two n MET 43 Ca 0.29 1.01 -0.03 0.00 0.00 0.00 0.00 57.70 58.96 1two n MET 43 Cb 1.14 -2.40 -0.01 0.00 0.00 0.00 0.00 33.22 31.96 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 -3.53 0.56 -3.88 1.12 -1.04 0.42 -5.00 114.28 102.92 1two n THR 44 Ca 0.34 0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 62.16 1two n THR 44 Cb 1.73 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 68.49 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 -5.53 3.46 0.12 8.00 2.15 -0.92 -5.00 116.67 118.95 1two s ASP 45 Ca -0.04 -1.01 -0.13 0.00 0.43 0.00 0.00 52.55 51.80 1two s ASP 45 Cb 0.01 -0.99 -0.07 0.00 -0.30 0.00 0.00 42.92 41.57 1two s ASP 45 CO 0.05 -0.24 1.43 -0.09 -0.17 0.00 0.00 175.17 176.15 1two h ARG 46 N 8.05 0.80 -0.85 4.34 1.12 -1.84 -3.03 114.38 122.98 1two h ARG 46 Ca -0.19 -0.43 0.21 0.00 -1.11 0.00 0.00 59.98 58.46 1two h ARG 46 Cb 1.09 0.02 -0.12 0.00 -0.01 0.00 0.00 29.97 30.95 1two h ARG 46 CO 0.39 1.07 0.29 -0.07 -3.11 0.00 0.00 179.97 178.54 1two h LEU 47 N 0.57 0.15 -1.79 3.80 -0.00 -1.94 1.66 115.31 117.77 1two h LEU 47 Ca 0.05 0.16 0.01 0.00 -0.00 0.00 0.00 57.88 58.10 1two h LEU 47 Cb 0.93 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1two h LEU 47 CO 0.09 -0.05 0.17 0.00 -0.00 0.00 0.00 178.44 178.65 1two h ALA 48 N 1.70 1.88 0.04 1.53 0.00 -1.86 2.07 119.26 124.62 1two h ALA 48 Ca 0.51 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.17 1two h ALA 48 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1two h ALA 48 CO -0.56 0.09 -1.12 0.78 0.00 0.00 0.00 179.25 178.45 1two h GLY 49 N 0.29 0.10 0.52 0.00 0.00 0.21 -2.59 103.07 101.60 1two h GLY 49 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1two h GLY 49 CO -0.02 0.22 -0.64 0.00 0.00 0.00 0.00 176.54 176.10 1two h ALA 51 N 0.06 0.55 -0.93 0.00 0.00 0.32 0.93 119.26 120.18 1two h ALA 51 Ca -0.11 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1two h ALA 51 Cb 1.49 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1two h ALA 51 CO 0.11 -0.25 0.60 0.97 0.00 0.00 0.00 179.25 180.68 1two h ILE 52 N 0.30 1.04 -0.46 0.00 -0.00 -1.55 -0.25 117.51 116.59 1two h ILE 52 Ca 0.23 -0.35 -0.02 0.00 -0.00 0.00 0.00 64.86 64.71 1two h ILE 52 Cb 0.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 36.82 36.97 1two h ILE 52 CO -0.25 0.19 0.19 0.78 -0.00 0.00 0.00 178.15 179.06 1two h ASN 53 N 1.03 0.63 0.29 2.19 2.35 -0.76 -0.44 115.58 120.88 1two h ASN 53 Ca 0.41 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1two h ASN 53 Cb 0.26 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1two h ASN 53 CO -0.17 0.61 -0.02 0.00 -1.65 0.00 0.00 177.43 176.21 1two h LEU 55 N 0.00 0.47 -0.19 0.00 7.12 0.56 1.79 115.31 125.05 1two h LEU 55 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1two h LEU 55 Cb 0.17 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 1two h LEU 55 CO 0.00 0.21 0.00 0.00 -0.13 0.00 0.00 178.44 178.52 1two n ALA 56 N -2.49 1.98 0.00 1.25 0.00 -0.52 -4.25 120.51 116.48 1two n ALA 56 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1two n ALA 56 Cb 0.60 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.90 0.00 -3.72 0.00 5.66 0.61 -1.11 114.28 113.81 1two n THR 57 Ca 0.04 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.67 1two n THR 57 Cb 0.29 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.97 1two n THR 57 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1two s LYS 58 N -3.60 2.34 0.37 1.09 -0.14 -1.26 -4.90 119.74 113.63 1two s LYS 58 Ca 0.00 -2.15 0.25 0.00 -1.36 0.00 0.00 55.97 52.71 1two s LYS 58 Cb 0.00 -3.70 1.35 0.00 -1.68 0.00 0.00 37.83 33.79 1two s LYS 58 CO 0.00 -1.14 1.76 -0.07 -0.76 0.00 0.00 175.35 175.15 1two h LEU 59 N 7.63 0.00 -1.29 3.17 3.38 -1.45 0.31 115.31 127.05 1two h LEU 59 Ca -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1two h LEU 59 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1two h LEU 59 CO 0.72 0.00 -0.17 0.44 0.09 0.00 0.00 178.44 179.53 1two h ASP 60 N 0.00 0.00 0.19 -0.43 3.32 -1.86 2.27 116.42 119.91 1two h ASP 60 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1two h ASP 60 Cb 0.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.59 1two h ASP 60 CO 0.00 0.17 -1.33 -0.37 -1.72 0.00 0.00 179.24 175.99 1two h VAL 61 N 0.00 1.25 0.08 -1.35 -1.51 -0.75 -3.26 116.25 110.71 1two h VAL 61 Ca -0.00 -2.58 -0.13 0.00 -1.23 0.00 0.00 66.70 62.76 1two h VAL 61 Cb 0.65 3.00 0.01 0.00 -2.13 0.00 0.00 31.29 32.81 1two h VAL 61 CO 0.02 0.78 -0.59 -0.37 -1.23 0.00 0.00 177.57 176.18 1two h VAL 62 N -0.07 1.55 -3.66 7.19 -1.51 -1.46 -3.43 116.25 114.86 1two h VAL 62 Ca -0.25 -2.45 -0.64 0.00 -1.23 0.00 0.00 66.70 62.14 1two h VAL 62 Cb 1.95 3.20 -0.39 0.00 -2.13 0.00 0.00 31.29 33.92 1two h VAL 62 CO 0.20 0.66 -0.77 1.51 -1.23 0.00 0.00 177.57 177.94 1two s ASP 63 N -6.70 4.27 0.06 4.19 1.47 0.76 -4.76 116.67 115.97 1two s ASP 63 Ca -0.17 -1.55 -0.15 0.00 1.18 0.00 0.00 52.55 51.86 1two s ASP 63 Cb -0.00 -1.36 -0.21 0.00 -0.34 0.00 0.00 42.92 41.01 1two s ASP 63 CO 0.77 -0.28 1.21 1.55 0.68 0.00 0.00 175.17 179.09 1two h PRO 64 N 7.83 0.65 -0.01 2.11 0.13 -1.71 -3.26 132.00 137.72 1two h PRO 64 Ca -0.14 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1two h PRO 64 Cb 1.04 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1two h PRO 64 CO 0.46 1.23 -0.04 -0.25 -0.23 0.00 0.00 178.00 179.17 1two n ASP 65 N -4.00 1.83 0.00 1.44 8.00 -1.26 -4.95 116.55 117.60 1two n ASP 65 Ca -0.10 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 53.99 1two n ASP 65 Cb 0.77 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 0.69 0.94 0.40 0.44 0.00 -1.25 -4.99 105.19 101.42 1two n GLY 66 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.27 1two n GLY 66 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1two h ASN 67 N 0.00 0.45 -1.46 1.61 -1.07 -1.86 -3.45 115.58 109.81 1two h ASN 67 Ca 0.00 0.05 0.08 0.00 0.07 0.00 0.00 56.30 56.49 1two h ASN 67 Cb 0.00 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 1two h ASN 67 CO 0.00 0.18 0.28 0.00 0.07 0.00 0.00 177.43 177.96 1two n LEU 68 N -4.54 0.00 -3.64 6.14 -0.00 -1.26 -3.74 117.00 109.96 1two n LEU 68 Ca 0.20 -0.65 -0.15 0.00 -0.00 0.00 0.00 56.01 55.41 1two n LEU 68 Cb 0.68 1.27 -0.14 0.00 -0.00 0.00 0.00 43.42 45.24 1two n LEU 68 CO 0.30 -0.22 -0.16 -1.00 -0.00 0.00 0.00 177.39 176.31 1two s HIS 69 N -4.14 -0.36 0.29 1.47 3.76 -1.22 -4.68 115.29 110.40 1two s HIS 69 Ca 0.11 0.82 -0.26 0.00 -0.15 0.00 0.00 55.06 55.57 1two s HIS 69 Cb -0.01 -0.12 -0.15 0.00 1.11 0.00 0.00 32.58 33.41 1two s HIS 69 CO 0.02 -0.37 0.61 1.58 -0.85 0.00 0.00 174.74 175.74 1two n HIS 70 N 5.34 -0.18 0.00 1.40 -0.00 -1.26 -0.36 115.22 120.16 1two n HIS 70 Ca -0.06 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1two n HIS 70 Cb 0.50 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.34 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 1.78 1.34 2.67 1.57 0.00 -1.26 -4.68 105.19 106.62 1two n GLY 71 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 1.62 -4.72 1.61 5.15 0.51 -4.80 115.26 117.12 1two n ASN 72 Ca 0.00 -2.88 -0.42 0.00 -0.60 0.00 0.00 54.58 50.68 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 -0.90 3.75 1.26 5.20 0.00 -0.61 -3.45 121.76 127.01 1two s ALA 73 Ca 0.29 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 1two s ALA 73 Cb 0.00 -3.61 0.32 0.00 0.00 0.00 0.00 23.12 19.83 1two s ALA 73 CO -0.18 -0.78 0.99 0.21 0.00 0.00 0.00 175.76 176.00 1two s LYS 74 N 0.83 -1.65 0.00 0.00 2.47 -1.26 -4.72 119.74 115.41 1two s LYS 74 Ca 0.68 0.64 0.16 0.00 -1.56 0.00 0.00 55.97 55.89 1two s LYS 74 Cb -0.44 -1.48 0.96 0.00 -1.46 0.00 0.00 37.83 35.41 1two s LYS 74 CO 0.34 -4.16 1.39 -0.25 0.16 0.00 0.00 175.35 172.84 1two n ASP 75 N -5.19 0.00 -0.04 1.43 8.00 -1.26 -2.44 116.55 117.05 1two n ASP 75 Ca 0.05 -0.44 -0.21 0.00 0.71 0.00 0.00 54.79 54.89 1two n ASP 75 Cb 0.56 -0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 1two n ASP 75 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1two h PHE 76 N 0.00 0.28 0.61 1.24 -1.00 -1.88 -3.34 116.94 112.86 1two h PHE 76 Ca 0.00 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.55 1two h PHE 76 Cb 0.02 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1two h PHE 76 CO 0.00 1.60 -0.29 0.00 -1.61 0.00 0.00 178.31 178.01 1two h ALA 77 N -0.18 -0.82 0.00 2.45 0.00 -1.56 -1.79 119.26 117.35 1two h ALA 77 Ca -0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1two h ALA 77 Cb 1.66 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1two h ALA 77 CO -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 179.25 178.38 1two n MET 78 N -5.34 0.90 0.13 0.00 0.00 -1.13 -2.85 117.12 108.83 1two n MET 78 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.48 1two n MET 78 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 33.22 32.35 1two n MET 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1two n LYS 79 N 1.74 0.00 0.00 3.17 4.81 -1.15 -4.54 118.16 122.19 1two n LYS 79 Ca 0.05 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1two n LYS 79 Cb 0.44 0.00 0.41 0.00 0.02 0.00 0.00 35.03 35.90 1two n LYS 79 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1two n HIS 80 N -3.25 0.00 -2.73 5.64 1.44 -0.68 -2.93 115.22 112.70 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 -0.24 0.09 0.00 0.12 0.00 0.00 29.99 29.97 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 0.04 1.87 3.00 -1.39 0.00 -1.13 -5.10 105.19 102.49 1two n GLY 81 Ca 0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.48 0.98 0.23 4.61 0.00 -1.15 -4.86 121.76 120.09 1two s ALA 82 Ca 0.18 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1two s ALA 82 Cb 0.40 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1two s ALA 82 CO -0.08 0.13 0.93 -0.51 0.00 0.00 0.00 175.76 176.22 1two s ASP 83 N 0.38 7.63 0.52 0.00 1.11 -1.26 -4.80 116.67 120.24 1two s ASP 83 Ca -0.07 1.92 0.43 0.00 0.18 0.00 0.00 52.55 55.02 1two s ASP 83 Cb -0.11 -2.60 1.64 0.00 1.07 0.00 0.00 42.92 42.92 1two s ASP 83 CO 0.01 0.15 1.59 -0.08 1.18 0.00 0.00 175.17 178.03 1two h GLU 84 N 4.24 0.01 0.04 8.23 4.81 -2.00 1.81 114.58 131.73 1two h GLU 84 Ca -0.45 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 1two h GLU 84 Cb 1.20 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1two h GLU 84 CO 0.68 0.01 -0.77 0.00 -0.73 0.00 0.00 179.01 178.20 1two h THR 85 N 0.01 1.41 -0.52 0.32 1.03 -2.01 -3.20 112.91 109.95 1two h THR 85 Ca 0.89 -2.22 0.15 0.00 -0.01 0.00 0.00 66.41 65.22 1two h THR 85 Cb 3.35 2.69 -0.02 0.00 -1.07 0.00 0.00 68.15 73.10 1two h THR 85 CO -0.16 0.65 0.41 0.00 -0.01 0.00 0.00 175.52 176.41 1two h MET 86 N -0.04 0.00 -0.21 0.00 -0.00 0.24 1.98 114.93 116.90 1two h MET 86 Ca -0.11 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.65 1two h MET 86 Cb 1.49 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 33.03 1two h MET 86 CO 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 176.91 176.91 1two h ALA 87 N 1.67 0.01 0.05 -3.00 0.00 -1.32 -0.61 119.26 116.05 1two h ALA 87 Ca 0.25 0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.87 1two h ALA 87 Cb 1.06 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1two h ALA 87 CO -0.00 -0.57 -2.10 0.94 0.00 0.00 0.00 179.25 177.51 1two n GLN 88 N -5.31 0.67 -0.14 0.00 0.00 -0.32 -4.13 117.38 108.15 1two n GLN 88 Ca -0.01 0.28 -0.14 0.00 -0.00 0.00 0.00 57.00 57.13 1two n GLN 88 Cb 0.22 -1.63 -0.09 0.00 0.00 0.00 0.00 30.24 28.74 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 -0.30 -0.38 -0.86 3.69 4.20 0.31 0.27 115.11 122.03 1two h GLN 89 Ca -0.50 0.03 0.22 0.00 0.06 0.00 0.00 58.65 58.46 1two h GLN 89 Cb 1.80 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 29.54 1two h GLN 89 CO -0.10 -0.26 0.25 -0.07 -0.67 0.00 0.00 178.83 177.99 1two h LEU 90 N -0.40 0.05 -1.37 1.46 3.38 -1.27 3.05 115.31 120.21 1two h LEU 90 Ca 0.08 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1two h LEU 90 Cb 0.60 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1two h LEU 90 CO -0.59 -0.12 0.15 0.58 0.09 0.00 0.00 178.44 178.54 1two h VAL 91 N 0.24 0.00 0.00 1.22 2.07 -0.64 0.99 116.25 120.14 1two h VAL 91 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 1two h VAL 91 Cb 1.06 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1two h VAL 91 CO -0.62 0.00 0.00 0.47 0.02 0.00 0.00 177.57 177.44 1two n ASP 92 N -2.28 0.00 -0.07 0.57 9.92 1.02 -2.53 116.55 123.17 1two n ASP 92 Ca -0.01 0.53 -0.10 0.00 -0.53 0.00 0.00 54.79 54.68 1two n ASP 92 Cb 0.18 -0.45 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 1two n ASP 92 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1two h ILE 93 N 0.00 1.15 -0.52 0.53 -2.65 -1.37 -1.23 117.51 113.43 1two h ILE 93 Ca 0.00 -0.44 0.15 0.00 1.03 0.00 0.00 64.86 65.60 1two h ILE 93 Cb 0.00 1.00 -0.02 0.00 -2.05 0.00 0.00 36.82 35.75 1two h ILE 93 CO 0.00 0.15 0.49 0.40 0.03 0.00 0.00 178.15 179.21 1two h ILE 94 N 0.24 0.43 0.00 0.16 2.04 0.84 1.38 117.51 122.61 1two h ILE 94 Ca 0.08 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.77 1two h ILE 94 Cb 0.14 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1two h ILE 94 CO -0.01 0.00 -0.83 0.45 0.00 0.00 0.00 178.15 177.77 1two h HIS 95 N 0.00 0.05 0.00 1.37 3.86 -0.94 0.49 115.15 119.98 1two h HIS 95 Ca 0.24 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1two h HIS 95 Cb 1.21 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 1two h HIS 95 CO 0.00 0.84 -1.12 0.78 0.86 0.00 0.00 177.93 179.30 1two h GLY 96 N 2.34 0.00 0.00 2.45 0.00 0.18 -3.18 103.07 104.86 1two h GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1two h GLY 96 CO 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.25 1two h GLU 98 N -0.80 0.20 -0.01 0.00 4.81 -0.20 3.14 114.58 121.72 1two h GLU 98 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1two h GLU 98 Cb 0.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1two h GLU 98 CO 0.00 0.13 -0.65 1.57 -0.73 0.00 0.00 179.01 179.33 1two h LYS 99 N 0.20 0.04 -0.01 1.92 5.09 -1.68 -2.79 116.57 119.35 1two h LYS 99 Ca 0.70 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 61.41 1two h LYS 99 Cb 2.13 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.47 1two h LYS 99 CO -0.31 0.68 -0.51 0.45 -2.09 0.00 0.00 179.45 177.67 1two n SER 100 N -3.78 1.30 -4.01 7.07 2.88 0.85 -4.57 113.62 113.37 1two n SER 100 Ca -0.01 -1.04 -0.32 0.00 -1.33 0.00 0.00 58.87 56.17 1two n SER 100 Cb 0.65 0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 64.44 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 -2.66 3.90 1.05 -1.46 0.00 0.85 -5.03 121.76 118.41 1two s ALA 101 Ca 0.17 -3.71 -0.17 0.00 0.00 0.00 0.00 51.96 48.26 1two s ALA 101 Cb 0.18 -2.48 0.22 0.00 0.00 0.00 0.00 23.12 21.04 1two s ALA 101 CO 0.63 -2.11 1.20 -1.25 0.00 0.00 0.00 175.76 174.23 1two s PRO 102 N -1.11 0.00 0.00 0.00 0.04 -1.26 -4.71 135.00 127.96 1two s PRO 102 Ca 0.24 -0.13 -0.02 0.00 0.04 0.00 0.00 61.00 61.13 1two s PRO 102 Cb -0.10 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1two s PRO 102 CO -0.11 -2.89 2.10 -0.35 0.04 0.00 0.00 177.00 175.79 1two n PRO 103 N -4.16 1.09 -1.95 0.56 -0.04 -1.26 -4.77 135.00 124.46 1two n PRO 103 Ca 0.13 -0.33 -0.40 0.00 -0.04 0.00 0.00 63.50 62.85 1two n PRO 103 Cb 0.59 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 2.11 6.20 0.66 3.54 3.84 -1.26 -4.84 114.94 125.19 1two s ASN 104 Ca 0.22 2.78 0.37 0.00 0.21 0.00 0.00 52.86 56.44 1two s ASN 104 Cb 0.11 -2.65 2.00 0.00 -0.55 0.00 0.00 41.25 40.16 1two s ASN 104 CO 0.00 -0.94 2.13 0.44 -2.79 0.00 0.00 177.10 175.94 1two h ASP 105 N 2.64 0.00 -0.11 -4.21 3.32 -2.05 0.05 116.42 116.06 1two h ASP 105 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1two h ASP 105 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1two h ASP 105 CO 0.62 0.00 0.08 -0.67 -1.72 0.00 0.00 179.24 177.55 1two n ASP 106 N -2.96 3.77 -0.55 6.45 -0.08 -1.26 -4.43 116.55 117.49 1two n ASP 106 Ca -0.02 -2.28 0.45 0.00 -1.51 0.00 0.00 54.79 51.43 1two n ASP 106 Cb 0.23 -0.69 0.70 0.00 2.34 0.00 0.00 41.12 43.70 1two n ASP 106 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1two h LYS 107 N 0.38 0.00 0.23 -0.67 2.10 -1.34 2.64 116.57 119.92 1two h LYS 107 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1two h LYS 107 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1two h LYS 107 CO 0.14 0.00 -0.11 0.00 -2.00 0.00 0.00 179.45 177.48 1two n MET 109 N -5.19 0.21 -0.00 0.00 0.00 0.69 -3.55 117.12 109.29 1two n MET 109 Ca -0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 57.70 57.64 1two n MET 109 Cb 0.17 -1.61 -0.00 0.00 0.00 0.00 0.00 33.22 31.79 1two n MET 109 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1two h LYS 110 N 0.00 0.00 -0.93 2.12 3.11 0.37 -3.33 116.57 117.91 1two h LYS 110 Ca 0.00 0.00 0.27 0.00 -2.81 0.00 0.00 60.65 58.11 1two h LYS 110 Cb 0.68 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 31.74 1two h LYS 110 CO 0.00 0.00 0.17 1.15 -2.81 0.00 0.00 179.45 177.96 1two h THR 111 N -0.01 0.17 -0.67 1.00 2.02 0.63 0.81 112.91 116.85 1two h THR 111 Ca 0.00 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.29 1two h THR 111 Cb 0.01 0.06 -0.12 0.00 -1.74 0.00 0.00 68.15 66.36 1two h THR 111 CO 0.00 0.02 -0.01 -0.29 0.37 0.00 0.00 175.52 175.61 1two h ILE 112 N 0.10 0.42 -0.98 3.11 -0.00 -1.59 1.87 117.51 120.44 1two h ILE 112 Ca 0.60 -0.04 0.22 0.00 -0.00 0.00 0.00 64.86 65.64 1two h ILE 112 Cb 1.26 0.31 -0.18 0.00 -0.00 0.00 0.00 36.82 38.21 1two h ILE 112 CO -0.77 0.02 -0.15 -0.78 -0.00 0.00 0.00 178.15 176.47 1two h ASP 113 N 0.11 -0.76 0.01 2.19 3.58 0.55 1.29 116.42 123.39 1two h ASP 113 Ca 0.36 0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.97 1two h ASP 113 Cb 0.60 0.56 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1two h ASP 113 CO -0.59 -0.33 -0.66 0.58 -2.88 0.00 0.00 179.24 175.36 1two h VAL 114 N 0.00 1.36 -0.86 2.25 2.07 -0.58 0.13 116.25 120.63 1two h VAL 114 Ca 0.51 -2.28 0.25 0.00 0.82 0.00 0.00 66.70 66.00 1two h VAL 114 Cb 0.89 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1two h VAL 114 CO -0.97 0.48 0.93 0.00 0.02 0.00 0.00 177.57 178.04 1two h ALA 115 N -0.22 2.71 0.00 1.67 0.00 0.42 0.52 119.26 124.35 1two h ALA 115 Ca -0.18 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1two h ALA 115 Cb 1.19 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1two h ALA 115 CO -0.09 -1.38 -2.05 0.00 0.00 0.00 0.00 179.25 175.73 1two n MET 116 N -3.47 1.21 -0.38 0.00 0.00 0.43 -4.16 117.12 110.74 1two n MET 116 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 57.70 57.89 1two n MET 116 Cb 1.21 -1.39 0.02 0.00 0.00 0.00 0.00 33.22 33.06 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 0.00 0.92 -0.07 0.00 3.57 -1.71 -2.31 116.94 117.34 1two h PHE 118 Ca 0.31 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1two h PHE 118 Cb 0.55 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1two h PHE 118 CO -0.88 0.85 0.05 0.87 -2.23 0.00 0.00 178.31 176.97 1two h LYS 119 N 0.73 0.00 0.00 1.11 1.57 0.48 0.18 116.57 120.64 1two h LYS 119 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1two h LYS 119 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1two h LYS 119 CO 0.02 0.00 -0.03 0.87 -0.57 0.00 0.00 179.45 179.74 1two h LYS 120 N 0.00 0.00 -0.04 3.15 1.57 0.29 0.24 116.57 121.78 1two h LYS 120 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1two h LYS 120 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1two h LYS 120 CO -0.00 0.03 0.03 0.93 -0.57 0.00 0.00 179.45 179.87 1two h GLU 121 N 0.00 0.00 0.18 3.15 4.39 -0.66 -1.72 114.58 119.93 1two h GLU 121 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1two h GLU 121 Cb 0.05 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1two h GLU 121 CO 0.00 0.00 -1.30 0.82 -1.16 0.00 0.00 179.01 177.37 1two h ILE 122 N 0.00 1.24 -0.12 3.13 5.03 -1.06 -3.23 117.51 122.50 1two h ILE 122 Ca 0.02 -2.55 0.03 0.00 -0.12 0.00 0.00 64.86 62.24 1two h ILE 122 Cb 0.07 2.98 -0.00 0.00 -3.03 0.00 0.00 36.82 36.84 1two h ILE 122 CO -0.00 0.77 0.62 1.12 -0.68 0.00 0.00 178.15 179.98 1two h HIS 123 N -0.12 0.00 -0.78 1.37 2.07 -0.97 3.03 115.15 119.75 1two h HIS 123 Ca -0.25 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 56.98 1two h HIS 123 Cb 1.90 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 31.71 1two h HIS 123 CO 0.15 0.00 0.37 0.36 -3.07 0.00 0.00 177.93 175.74 1two n LYS 124 N -2.88 3.21 0.00 5.12 2.85 -1.10 -4.60 118.16 120.76 1two n LYS 124 Ca 0.01 -2.91 0.00 0.00 -1.05 0.00 0.00 58.31 54.37 1two n LYS 124 Cb 0.69 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 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 -0.39 0.00 -0.49 -5.58 -0.00 1.01 -4.14 117.00 107.41 1two n LEU 125 Ca 0.44 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.54 1two n LEU 125 Cb 1.43 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.87 1two n LEU 125 CO 0.47 0.00 0.35 0.59 -0.00 0.00 0.00 177.39 178.80 1two n ASN 126 N 0.00 1.96 -4.89 1.45 3.02 -1.26 -4.96 115.26 110.57 1two n ASN 126 Ca 0.00 -1.48 -0.29 0.00 -0.03 0.00 0.00 54.58 52.78 1two n ASN 126 Cb 0.00 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.87 3.47 -0.25 3.10 0.51 -1.26 -5.05 118.94 117.59 1two s TRP 127 Ca 0.16 0.78 -0.18 0.00 -2.12 0.00 0.00 56.10 54.75 1two s TRP 127 Cb 0.14 -2.22 -0.03 0.00 -0.81 0.00 0.00 33.47 30.55 1two s TRP 127 CO 0.38 0.09 0.50 0.14 -0.51 0.00 0.00 176.95 177.55 1two s VAL 128 N -2.16 5.09 -0.24 4.03 -7.23 -1.26 -4.59 120.40 114.04 1two s VAL 128 Ca 0.46 0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 61.44 1two s VAL 128 Cb -0.11 -3.81 -0.18 0.00 0.56 0.00 0.00 36.38 32.84 1two s VAL 128 CO 0.30 0.12 2.78 -0.81 -0.31 0.00 0.00 175.10 177.17 1two n PRO 129 N 5.33 1.76 -0.62 4.82 -0.04 -1.26 -4.59 135.00 140.40 1two n PRO 129 Ca -0.05 -0.95 0.47 0.00 -0.04 0.00 0.00 63.50 62.93 1two n PRO 129 Cb 0.50 -2.02 0.74 0.00 -0.04 0.00 0.00 33.50 32.68 1two n PRO 129 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1two n ASN 130 N 2.88 0.05 -4.33 3.54 2.85 -1.26 -3.10 115.26 115.89 1two n ASN 130 Ca 0.38 1.04 -0.46 0.00 -0.11 0.00 0.00 54.58 55.43 1two n ASN 130 Cb 0.59 -0.52 -0.05 0.00 1.24 0.00 0.00 39.78 41.04 1two n ASN 130 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1two s MET 131 N -4.86 3.01 -0.37 1.20 -1.94 -1.26 -4.94 119.30 110.15 1two s MET 131 Ca -0.05 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.37 1two s MET 131 Cb 0.26 -4.29 0.11 0.00 2.01 0.00 0.00 34.83 32.93 1two s MET 131 CO 0.83 -1.41 0.14 -0.51 -0.01 0.00 0.00 175.02 174.06 1two s ASP 132 N 3.61 4.10 -0.30 3.03 1.01 -1.16 -5.00 116.67 121.96 1two s ASP 132 Ca 0.06 -2.12 -0.16 0.00 0.71 0.00 0.00 52.55 51.04 1two s ASP 132 Cb -0.28 -1.13 0.17 0.00 1.01 0.00 0.00 42.92 42.69 1two s ASP 132 CO 0.04 -0.35 1.05 -1.48 0.21 0.00 0.00 175.17 174.63 1two s LEU 133 N 0.98 -0.43 0.02 1.23 -0.00 -1.26 -2.79 118.68 116.43 1two s LEU 133 Ca 0.13 0.64 -0.05 0.00 -0.00 0.00 0.00 54.13 54.85 1two s LEU 133 Cb -0.20 1.56 -0.02 0.00 -0.00 0.00 0.00 46.19 47.53 1two s LEU 133 CO -0.13 -0.10 -0.09 0.52 -0.00 0.00 0.00 176.35 176.56 1two n VAL 134 N 4.18 1.29 0.64 1.48 0.31 -1.26 -4.80 118.33 120.16 1two n VAL 134 Ca -0.14 0.33 0.07 0.00 -0.01 0.00 0.00 64.34 64.60 1two n VAL 134 Cb 0.55 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.61 1two n VAL 134 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1two n ILE 135 N -3.74 0.00 -1.23 2.52 -0.00 -1.26 -4.98 119.36 110.68 1two n ILE 135 Ca -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1two n ILE 135 Cb 0.14 0.89 0.00 0.00 -0.00 0.00 0.00 39.64 40.67 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 1.39 0.72 4.01 3.28 0.00 -1.26 -5.07 105.19 108.26 1two n GLY 136 Ca 0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.63 2.52 -0.31 1.61 0.41 -1.26 -5.04 118.70 113.99 1two s GLU 137 Ca 0.00 -1.50 -0.29 0.00 -0.41 0.00 0.00 54.97 52.77 1two s GLU 137 Cb 0.00 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1two s GLU 137 CO 0.00 -0.58 1.33 0.54 -0.49 0.00 0.00 175.26 176.06 1two s VAL 138 N -2.54 4.08 0.00 2.63 0.11 -1.26 -4.26 120.40 119.16 1two s VAL 138 Ca 0.57 1.21 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1two s VAL 138 Cb -0.07 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1two s VAL 138 CO 0.35 -0.51 0.00 -0.11 -3.33 0.00 0.00 175.10 171.51 1two n LEU 139 N 7.83 0.00 -4.87 2.54 -0.00 -1.26 -5.14 117.00 116.10 1two n LEU 139 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.86 1two n LEU 139 Cb 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1two n LEU 139 CO 0.64 0.00 0.75 0.00 -0.00 0.00 0.00 177.39 178.78 1two s ALA 140 N -0.03 2.73 -0.98 1.96 0.00 -1.26 -4.91 121.76 119.27 1two s ALA 140 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1two s ALA 140 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1two s ALA 140 CO 0.00 -1.32 1.96 -1.21 0.00 0.00 0.00 175.76 175.19 1two s GLU 141 N -5.34 2.50 0.00 0.00 2.02 -1.20 -4.86 118.70 111.81 1two s GLU 141 Ca 0.59 -0.53 0.17 0.00 0.02 0.00 0.00 54.97 55.22 1two s GLU 141 Cb -0.12 -5.11 1.00 0.00 0.10 0.00 0.00 34.13 30.01 1two s GLU 141 CO 0.52 -3.61 1.41 1.33 0.02 0.00 0.00 175.26 174.93