#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx s SER 2 N 0.00 4.40 -0.26 1.61 0.01 -1.26 -4.53 113.70 113.68 2dnx s SER 2 Ca 0.00 -2.62 -0.26 0.00 1.31 0.00 0.00 55.95 54.38 2dnx s SER 2 Cb 0.00 -1.55 0.14 0.00 0.21 0.00 0.00 66.02 64.82 2dnx s SER 2 CO 0.00 -0.29 1.12 -0.44 0.41 0.00 0.00 173.24 174.04 2dnx s SER 3 N 0.27 -0.33 0.00 2.44 0.01 -1.26 -5.18 113.70 109.65 2dnx s SER 3 Ca 0.15 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2dnx s SER 3 Cb -0.23 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2dnx s SER 3 CO -0.04 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2dnx n GLY 4 N 1.64 2.86 3.20 3.44 0.00 -1.26 -5.06 105.19 110.02 2dnx n GLY 4 Ca -0.11 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnx s SER 5 N 0.00 5.88 0.10 1.61 0.15 -1.26 -4.88 113.70 115.30 2dnx s SER 5 Ca 0.00 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2dnx s SER 5 Cb 0.00 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2dnx s SER 5 CO 0.00 -0.52 0.00 -1.20 1.20 0.00 0.00 173.24 172.72 2dnx n SER 6 N 4.00 -7.91 0.00 5.45 7.64 -1.26 -5.05 113.62 116.50 2dnx n SER 6 Ca 0.06 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2dnx n SER 6 Cb 0.42 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 2dnx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 7 N 1.53 0.88 2.70 0.23 0.00 -1.26 -5.02 105.19 104.25 2dnx n GLY 7 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 2dnx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dnx n GLN 8 N 0.00 0.55 -1.31 1.61 10.64 -1.26 -5.09 117.38 122.51 2dnx n GLN 8 Ca 0.00 -1.30 -0.30 0.00 -1.83 0.00 0.00 57.00 53.57 2dnx n GLN 8 Cb 0.00 -0.71 0.10 0.00 -0.86 0.00 0.00 30.24 28.77 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dnx s LEU 9 N -1.23 2.76 -1.11 2.61 2.01 -1.26 -4.82 118.68 117.64 2dnx s LEU 9 Ca 0.24 1.64 -0.26 0.00 0.01 0.00 0.00 54.13 55.76 2dnx s LEU 9 Cb 0.26 -4.27 -0.21 0.00 0.01 0.00 0.00 46.19 41.99 2dnx s LEU 9 CO -0.14 -2.13 2.09 -0.13 1.01 0.00 0.00 176.35 177.04 2dnx s ARG 10 N -4.96 1.36 0.61 1.70 0.52 -1.26 -4.89 118.95 112.03 2dnx s ARG 10 Ca 0.61 -0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 2dnx s ARG 10 Cb -0.17 -5.02 -0.03 0.00 0.52 0.00 0.00 34.95 30.25 2dnx s ARG 10 CO 0.56 -5.31 1.05 -0.51 0.02 0.00 0.00 175.30 171.11 2dnx s ASP 11 N 8.18 5.77 0.20 0.23 1.01 -1.26 -4.70 116.67 126.10 2dnx s ASP 11 Ca 0.79 1.75 -0.13 0.00 0.71 0.00 0.00 52.55 55.67 2dnx s ASP 11 Cb -0.04 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.59 2dnx s ASP 11 CO 0.18 -1.18 1.64 0.15 0.21 0.00 0.00 175.17 176.17 2dnx h PHE 12 N 0.24 -0.25 0.00 4.23 3.04 -1.90 1.49 116.94 123.78 2dnx h PHE 12 Ca -0.46 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.49 2dnx h PHE 12 Cb 1.22 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 2dnx h PHE 12 CO 0.60 -0.23 -0.23 0.77 -2.02 0.00 0.00 178.31 177.19 2dnx h SER 13 N 0.02 0.00 0.88 0.41 0.02 -1.92 0.73 113.55 113.69 2dnx h SER 13 Ca 0.29 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.02 2dnx h SER 13 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2dnx h SER 13 CO -0.58 0.23 -1.05 0.28 -1.14 0.00 0.00 176.83 174.57 2dnx h SER 14 N 0.00 0.12 0.09 3.07 0.02 -0.12 -2.82 113.55 113.91 2dnx h SER 14 Ca -0.00 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.63 2dnx h SER 14 Cb 0.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2dnx h SER 14 CO 0.03 1.08 -0.96 0.40 -1.14 0.00 0.00 176.83 176.25 2dnx h ILE 15 N 0.02 1.30 0.11 3.27 2.04 0.23 -3.26 117.51 121.22 2dnx h ILE 15 Ca -0.04 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.42 2dnx h ILE 15 Cb 1.79 2.92 -0.02 0.00 -0.74 0.00 0.00 36.82 40.78 2dnx h ILE 15 CO 0.15 0.64 -0.27 0.40 0.00 0.00 0.00 178.15 179.07 2dnx h ILE 16 N -0.54 0.00 -0.99 -0.67 2.04 0.35 0.39 117.51 118.09 2dnx h ILE 16 Ca -0.21 0.00 0.33 0.00 1.00 0.00 0.00 64.86 65.98 2dnx h ILE 16 Cb 1.53 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.43 2dnx h ILE 16 CO 0.04 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.99 2dnx h GLN 17 N -0.42 0.02 -0.39 2.37 4.20 -1.68 1.41 115.11 120.63 2dnx h GLN 17 Ca -0.01 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2dnx h GLN 17 Cb 0.41 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2dnx h GLN 17 CO -0.12 0.01 0.04 1.15 -0.67 0.00 0.00 178.83 179.24 2dnx h THR 18 N 0.02 1.25 0.40 -0.54 2.02 -1.28 -2.25 112.91 112.53 2dnx h THR 18 Ca 0.69 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2dnx h THR 18 Cb 1.61 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2dnx h THR 18 CO -0.85 0.31 -0.19 0.00 0.37 0.00 0.00 175.52 175.16 2dnx h SER 20 N -0.57 -0.91 0.63 0.00 0.87 0.18 0.13 113.55 113.88 2dnx h SER 20 Ca -0.05 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2dnx h SER 20 Cb 0.43 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2dnx h SER 20 CO 0.09 -0.28 -0.43 1.23 -0.53 0.00 0.00 176.83 176.91 2dnx h GLY 21 N -0.03 -1.13 -0.84 5.77 0.00 -1.09 -2.12 103.07 103.62 2dnx h GLY 21 Ca 0.35 0.48 0.09 0.00 0.00 0.00 0.00 47.33 48.26 2dnx h GLY 21 CO -0.82 -0.39 -0.55 3.43 0.00 0.00 0.00 176.54 178.22 2dnx h ASN 22 N -1.01 -1.96 -0.61 0.19 2.35 0.25 0.20 115.58 114.98 2dnx h ASN 22 Ca -0.08 0.30 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 2dnx h ASN 22 Cb 0.83 0.87 -0.10 0.00 0.05 0.00 0.00 38.32 39.98 2dnx h ASN 22 CO 0.05 -0.28 -0.53 0.40 -1.65 0.00 0.00 177.43 175.42 2dnx h ILE 23 N -0.10 0.02 -0.60 2.81 2.04 -0.87 0.16 117.51 120.97 2dnx h ILE 23 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.09 2dnx h ILE 23 Cb 0.48 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 2dnx h ILE 23 CO -0.86 0.00 -0.57 1.56 0.00 0.00 0.00 178.15 178.28 2dnx h GLN 24 N -0.25 -0.26 -0.45 2.37 1.08 0.00 0.46 115.11 118.06 2dnx h GLN 24 Ca 0.13 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 2dnx h GLN 24 Cb 0.55 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.94 2dnx h GLN 24 CO -0.71 -0.17 -0.28 0.00 -0.95 0.00 0.00 178.83 176.72 2dnx h ARG 25 N -0.27 -0.18 -0.60 1.46 -0.00 0.48 0.83 114.38 116.10 2dnx h ARG 25 Ca 0.10 0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.70 2dnx h ARG 25 Cb 0.54 0.04 -0.12 0.00 0.00 0.00 0.00 29.97 30.43 2dnx h ARG 25 CO -0.71 -0.12 -0.33 0.82 0.00 0.00 0.00 179.97 179.63 2dnx h ILE 26 N -0.18 0.17 -0.43 2.04 2.04 0.13 0.77 117.51 122.05 2dnx h ILE 26 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2dnx h ILE 26 Cb 0.51 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2dnx h ILE 26 CO -0.56 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.33 2dnx h SER 27 N -0.15 0.64 0.50 1.72 0.87 0.71 -2.04 113.55 115.81 2dnx h SER 27 Ca 0.24 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2dnx h SER 27 Cb 0.55 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2dnx h SER 27 CO -0.69 0.70 -0.24 1.56 -0.53 0.00 0.00 176.83 177.63 2dnx h GLN 28 N 0.64 -0.65 -0.94 2.24 4.20 0.58 -1.49 115.11 119.69 2dnx h GLN 28 Ca 0.13 0.04 0.26 0.00 0.06 0.00 0.00 58.65 59.15 2dnx h GLN 28 Cb 0.38 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.17 2dnx h GLN 28 CO 0.01 -0.44 0.45 0.00 -0.67 0.00 0.00 178.83 178.19 2dnx h ALA 29 N -1.68 1.62 -0.53 3.87 0.00 0.25 1.44 119.26 124.23 2dnx h ALA 29 Ca -0.07 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dnx h ALA 29 Cb 0.52 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2dnx h ALA 29 CO 0.11 -0.43 0.36 1.15 0.00 0.00 0.00 179.25 180.44 2dnx h THR 30 N 0.37 0.99 -0.24 0.00 2.02 -1.11 -0.40 112.91 114.54 2dnx h THR 30 Ca 0.63 -0.17 -0.20 0.00 0.77 0.00 0.00 66.41 67.44 2dnx h THR 30 Cb 1.29 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2dnx h THR 30 CO -0.57 0.09 -0.63 0.00 0.37 0.00 0.00 175.52 174.79 2dnx h ALA 31 N 1.71 0.44 -0.43 6.16 0.00 0.30 -2.61 119.26 124.83 2dnx h ALA 31 Ca 0.23 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2dnx h ALA 31 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2dnx h ALA 31 CO -0.06 0.69 0.24 1.96 0.00 0.00 0.00 179.25 182.07 2dnx h GLN 32 N 0.61 0.47 -0.74 0.00 4.20 0.21 0.61 115.11 120.47 2dnx h GLN 32 Ca -0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2dnx h GLN 32 Cb 1.24 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 2dnx h GLN 32 CO 0.13 0.31 0.48 0.82 -0.67 0.00 0.00 178.83 179.90 2dnx h ILE 33 N 0.49 1.15 -0.60 2.54 2.04 -1.21 1.40 117.51 123.32 2dnx h ILE 33 Ca 0.17 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 2dnx h ILE 33 Cb 0.03 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2dnx h ILE 33 CO -0.09 0.17 -0.03 0.11 0.00 0.00 0.00 178.15 178.31 2dnx h LYS 34 N 0.95 1.08 -0.09 2.37 1.57 -0.95 0.35 116.57 121.85 2dnx h LYS 34 Ca 0.28 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2dnx h LYS 34 Cb -0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2dnx h LYS 34 CO -0.08 1.07 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.91 2dnx h ASN 35 N 0.97 0.20 0.35 0.86 4.21 0.11 -2.23 115.58 120.05 2dnx h ASN 35 Ca 0.16 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2dnx h ASN 35 Cb 0.60 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 2dnx h ASN 35 CO 0.04 0.56 0.00 0.18 -1.29 0.00 0.00 177.43 176.92 2dnx n LEU 36 N -4.74 0.61 -0.04 1.61 4.77 0.47 -2.25 117.00 117.42 2dnx n LEU 36 Ca -0.07 0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2dnx n LEU 36 Cb 0.26 -0.71 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 2dnx n LEU 36 CO 0.36 -0.76 0.47 -0.03 -1.33 0.00 0.00 177.39 176.10 2dnx h MET 37 N 0.00 -0.01 -0.92 3.23 4.05 -0.33 0.10 114.93 121.05 2dnx h MET 37 Ca 0.00 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.55 2dnx h MET 37 Cb 0.18 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.89 2dnx h MET 37 CO 0.00 0.75 0.54 0.77 0.23 0.00 0.00 176.91 179.20 2dnx h SER 38 N -0.81 0.74 -0.06 1.39 0.02 -1.09 -0.05 113.55 113.70 2dnx h SER 38 Ca -0.00 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2dnx h SER 38 Cb 0.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2dnx h SER 38 CO 0.00 0.37 -0.33 0.06 -1.14 0.00 0.00 176.83 175.79 2dnx h GLN 39 N 0.82 0.33 -1.00 3.45 3.07 -1.60 -3.17 115.11 117.00 2dnx h GLN 39 Ca 0.48 -0.27 0.23 0.00 0.09 0.00 0.00 58.65 59.18 2dnx h GLN 39 Cb 0.56 0.06 -0.12 0.00 0.08 0.00 0.00 27.48 28.05 2dnx h GLN 39 CO -0.30 0.92 0.60 -0.07 0.09 0.00 0.00 178.83 180.07 2dnx h LEU 40 N -0.18 0.70 -0.34 0.06 3.38 -0.01 -2.12 115.31 116.81 2dnx h LEU 40 Ca -0.02 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2dnx h LEU 40 Cb 0.99 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2dnx h LEU 40 CO 0.07 0.14 -0.21 1.23 0.09 0.00 0.00 178.44 179.76 2dnx h GLY 41 N 0.62 -2.03 -1.24 0.83 0.00 -1.01 -3.40 103.07 96.84 2dnx h GLY 41 Ca 0.63 1.02 -0.50 0.00 0.00 0.00 0.00 47.33 48.48 2dnx h GLY 41 CO -0.45 -0.65 0.18 -0.51 0.00 0.00 0.00 176.54 175.11 2dnx s THR 42 N -3.89 2.10 -0.16 4.70 -4.23 -0.80 -5.00 115.64 108.36 2dnx s THR 42 Ca -0.04 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.42 2dnx s THR 42 Cb 0.04 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2dnx s THR 42 CO 0.22 -0.04 0.10 -0.75 -0.54 0.00 0.00 174.62 173.60 2dnx s LYS 43 N -4.62 3.82 0.00 3.99 2.20 -1.26 -4.90 119.74 118.97 2dnx s LYS 43 Ca 0.67 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2dnx s LYS 43 Cb -0.23 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2dnx s LYS 43 CO 0.59 0.44 0.00 0.00 -0.36 0.00 0.00 175.35 176.03 2dnx n GLN 44 N 3.02 0.00 -2.40 4.03 10.64 -1.26 -5.09 117.38 126.32 2dnx n GLN 44 Ca -0.17 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 54.98 2dnx n GLN 44 Cb 0.53 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.90 2dnx n GLN 44 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2dnx n ASP 45 N 0.00 -7.25 -3.18 2.61 2.03 -1.26 -4.96 116.55 104.54 2dnx n ASP 45 Ca 0.00 1.73 -0.25 0.00 0.52 0.00 0.00 54.79 56.79 2dnx n ASP 45 Cb 0.00 -5.02 -0.06 0.00 -0.72 0.00 0.00 41.12 35.33 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dnx n SER 46 N 1.85 2.76 -0.03 1.67 3.41 -1.26 -4.85 113.62 117.17 2dnx n SER 46 Ca -0.09 -3.30 -0.22 0.00 -0.26 0.00 0.00 58.87 55.01 2dnx n SER 46 Cb 0.13 -0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 2dnx n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dnx h SER 47 N 3.54 0.25 0.86 4.04 0.02 -1.99 -2.78 113.55 117.49 2dnx h SER 47 Ca 0.13 -0.76 -0.03 0.00 -0.84 0.00 0.00 61.79 60.29 2dnx h SER 47 Cb 0.71 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2dnx h SER 47 CO 0.70 1.65 -0.13 0.50 -1.14 0.00 0.00 176.83 178.41 2dnx h LYS 48 N -0.43 0.00 0.03 3.45 1.63 -1.98 -2.25 116.57 117.01 2dnx h LYS 48 Ca -0.36 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2dnx h LYS 48 Cb 1.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 2dnx h LYS 48 CO -0.03 0.13 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.01 2dnx h LEU 49 N 0.00 -0.03 -0.94 5.20 3.38 -1.93 -1.95 115.31 119.04 2dnx h LEU 49 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 2dnx h LEU 49 Cb 0.59 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.20 2dnx h LEU 49 CO 0.02 0.29 0.36 1.56 0.09 0.00 0.00 178.44 180.76 2dnx h GLN 50 N -0.65 0.21 -0.02 1.13 1.08 -1.52 1.79 115.11 117.13 2dnx h GLN 50 Ca -0.00 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 2dnx h GLN 50 Cb 0.03 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2dnx h GLN 50 CO 0.01 0.14 -0.57 1.05 -0.95 0.00 0.00 178.83 178.50 2dnx h GLU 51 N 0.22 0.07 -0.44 1.46 4.11 -1.52 -2.95 114.58 115.53 2dnx h GLU 51 Ca 0.65 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.90 2dnx h GLU 51 Cb 1.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2dnx h GLU 51 CO -0.67 0.62 -0.26 -0.91 0.07 0.00 0.00 179.01 177.86 2dnx h ASN 52 N 0.05 0.99 0.46 3.06 2.35 0.33 -1.98 115.58 120.84 2dnx h ASN 52 Ca -0.00 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 2dnx h ASN 52 Cb 1.03 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 2dnx h ASN 52 CO 0.08 1.20 -0.50 -0.07 -1.65 0.00 0.00 177.43 176.48 2dnx h LEU 53 N 0.79 -1.39 -2.64 1.61 3.38 -0.18 1.05 115.31 117.93 2dnx h LEU 53 Ca 0.09 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dnx h LEU 53 Cb 0.85 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2dnx h LEU 53 CO 0.07 -0.65 0.09 1.56 0.09 0.00 0.00 178.44 179.60 2dnx h GLN 54 N -0.97 0.00 0.00 1.13 4.20 -1.53 0.37 115.11 118.31 2dnx h GLN 54 Ca -0.05 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2dnx h GLN 54 Cb 0.86 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2dnx h GLN 54 CO -0.09 0.00 -1.11 0.37 -0.67 0.00 0.00 178.83 177.33 2dnx h GLN 55 N 0.00 0.00 0.00 1.46 4.15 -0.10 -2.57 115.11 118.04 2dnx h GLN 55 Ca 0.01 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 2dnx h GLN 55 Cb 0.19 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2dnx h GLN 55 CO -0.00 0.50 -1.06 -0.07 -1.93 0.00 0.00 178.83 176.27 2dnx h LEU 56 N 0.00 0.00 0.05 -2.39 3.38 0.47 -3.10 115.31 113.73 2dnx h LEU 56 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2dnx h LEU 56 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2dnx h LEU 56 CO 0.07 0.74 -0.02 1.56 0.09 0.00 0.00 178.44 180.88 2dnx h GLN 57 N 0.00 -0.07 0.05 1.13 4.20 -0.64 -3.04 115.11 116.76 2dnx h GLN 57 Ca -0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2dnx h GLN 57 Cb 1.64 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.39 2dnx h GLN 57 CO 0.08 0.55 -0.44 1.25 -0.67 0.00 0.00 178.83 179.59 2dnx h HIS 58 N -0.90 -1.27 -0.66 2.96 2.76 -1.60 0.92 115.15 117.37 2dnx h HIS 58 Ca -0.01 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 2dnx h HIS 58 Cb 0.64 0.55 -0.10 0.00 1.55 0.00 0.00 27.41 30.05 2dnx h HIS 58 CO 0.16 -0.53 -0.56 1.03 -1.30 0.00 0.00 177.93 176.73 2dnx h SER 59 N -0.63 -1.95 -0.83 3.26 0.87 -1.67 0.28 113.55 112.87 2dnx h SER 59 Ca 0.03 0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 2dnx h SER 59 Cb 0.68 0.83 -0.05 0.00 -0.44 0.00 0.00 62.40 63.42 2dnx h SER 59 CO -0.29 -0.31 0.52 0.74 -0.53 0.00 0.00 176.83 176.96 2dnx h THR 60 N -0.21 1.09 -0.75 2.23 2.02 -1.31 -1.29 112.91 114.69 2dnx h THR 60 Ca 0.11 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 67.08 2dnx h THR 60 Cb 0.50 0.01 -0.14 0.00 -1.74 0.00 0.00 68.15 66.78 2dnx h THR 60 CO -0.73 0.18 -0.32 -1.13 0.37 0.00 0.00 175.52 173.88 2dnx h ASN 61 N 1.00 -1.16 0.54 4.18 -1.24 0.45 0.45 115.58 119.79 2dnx h ASN 61 Ca 0.34 0.25 -0.03 0.00 0.71 0.00 0.00 56.30 57.58 2dnx h ASN 61 Cb 0.07 0.61 0.01 0.00 0.73 0.00 0.00 38.32 39.74 2dnx h ASN 61 CO -0.14 -0.29 -0.26 1.56 -1.29 0.00 0.00 177.43 177.01 2dnx h GLN 62 N -0.08 -0.70 -1.19 6.67 4.20 -0.66 -2.41 115.11 120.93 2dnx h GLN 62 Ca 0.30 0.05 0.44 0.00 0.06 0.00 0.00 58.65 59.50 2dnx h GLN 62 Cb 0.57 0.16 -0.15 0.00 0.30 0.00 0.00 27.48 28.36 2dnx h GLN 62 CO -0.80 -0.39 0.72 1.28 -0.67 0.00 0.00 178.83 178.97 2dnx n LEU 63 N -5.29 0.27 0.14 1.46 4.77 -0.54 0.12 117.00 117.93 2dnx n LEU 63 Ca -0.11 1.48 -0.06 0.00 -0.03 0.00 0.00 56.01 57.30 2dnx n LEU 63 Cb 0.32 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2dnx n LEU 63 CO 0.29 -1.63 0.35 0.00 -1.33 0.00 0.00 177.39 175.06 2dnx h ALA 64 N 1.74 -0.77 -0.83 -1.18 0.00 0.05 -1.74 119.26 116.53 2dnx h ALA 64 Ca 0.85 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.88 2dnx h ALA 64 Cb 2.54 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 20.35 2dnx h ALA 64 CO -0.59 -0.74 0.27 1.57 0.00 0.00 0.00 179.25 179.76 2dnx h LYS 65 N -0.50 0.30 -0.74 0.00 2.10 -0.01 0.47 116.57 118.19 2dnx h LYS 65 Ca -0.04 -0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.71 2dnx h LYS 65 Cb 0.28 -0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 31.46 2dnx h LYS 65 CO 0.06 0.20 0.34 0.93 -2.00 0.00 0.00 179.45 178.98 2dnx h GLU 66 N 0.31 0.52 -0.56 0.07 5.08 0.93 -0.40 114.58 120.54 2dnx h GLU 66 Ca 0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2dnx h GLU 66 Cb 0.93 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2dnx h GLU 66 CO -0.55 0.35 0.36 1.15 -1.00 0.00 0.00 179.01 179.32 2dnx h THR 67 N 0.54 1.15 -0.92 1.13 2.02 0.85 -1.36 112.91 116.32 2dnx h THR 67 Ca 0.38 -0.29 0.12 0.00 0.77 0.00 0.00 66.41 67.39 2dnx h THR 67 Cb 0.49 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 2dnx h THR 67 CO -0.33 0.15 0.55 -1.13 0.37 0.00 0.00 175.52 175.13 2dnx h ASN 68 N 0.76 0.77 -0.61 4.18 -0.73 -0.26 1.55 115.58 121.23 2dnx h ASN 68 Ca 0.20 0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.36 2dnx h ASN 68 Cb -0.07 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 2dnx h ASN 68 CO -0.04 0.39 0.10 -0.33 -0.37 0.00 0.00 177.43 177.18 2dnx h GLU 69 N 0.85 1.02 -0.17 6.67 4.39 -0.50 -0.98 114.58 125.85 2dnx h GLU 69 Ca 0.47 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 2dnx h GLU 69 Cb 0.51 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2dnx h GLU 69 CO -0.29 0.95 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.12 2dnx h LEU 70 N 0.93 0.58 -2.88 1.33 3.38 0.11 0.14 115.31 118.90 2dnx h LEU 70 Ca 0.19 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2dnx h LEU 70 Cb 0.43 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dnx h LEU 70 CO 0.01 1.02 -0.00 -0.07 0.09 0.00 0.00 178.44 179.49 2dnx h LEU 71 N 0.16 0.00 0.09 1.67 3.38 0.23 1.19 115.31 122.03 2dnx h LEU 71 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 2dnx h LEU 71 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2dnx h LEU 71 CO 0.07 0.00 -1.87 0.07 0.09 0.00 0.00 178.44 176.81 2dnx h LYS 72 N 0.00 0.19 0.00 1.13 2.10 -0.80 -3.32 116.57 115.86 2dnx h LYS 72 Ca -0.00 -0.33 -0.14 0.00 -2.00 0.00 0.00 60.65 58.18 2dnx h LYS 72 Cb 0.02 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 2dnx h LYS 72 CO 0.00 1.00 -0.67 1.05 -2.00 0.00 0.00 179.45 178.82 2dnx h GLU 73 N 0.05 0.00 0.10 0.07 4.11 0.85 -2.86 114.58 116.90 2dnx h GLU 73 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.06 2dnx h GLU 73 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2dnx h GLU 73 CO 0.10 0.67 -0.05 1.25 0.07 0.00 0.00 179.01 181.05 2dnx h LEU 74 N 0.00 -0.13 -2.10 3.06 6.46 0.12 -2.21 115.31 120.52 2dnx h LEU 74 Ca -0.01 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2dnx h LEU 74 Cb 1.36 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.32 2dnx h LEU 74 CO 0.09 -0.08 0.31 1.23 -0.62 0.00 0.00 178.44 179.37 2dnx h GLY 75 N -0.14 0.00 1.02 3.75 0.00 -1.68 0.91 103.07 106.93 2dnx h GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dnx h GLY 75 CO 0.02 0.00 0.62 0.23 0.00 0.00 0.00 176.54 177.41 2dnx h SER 76 N 0.00 1.14 -2.85 0.19 0.87 -1.22 -3.44 113.55 108.26 2dnx h SER 76 Ca 0.14 -0.05 -0.55 0.00 -1.23 0.00 0.00 61.79 60.10 2dnx h SER 76 Cb 0.77 -0.29 0.21 0.00 -0.44 0.00 0.00 62.40 62.65 2dnx h SER 76 CO -0.00 0.85 -0.93 0.18 -0.53 0.00 0.00 176.83 176.40 2dnx n LEU 77 N -4.37 -1.82 -4.76 2.23 4.77 0.31 -4.96 117.00 108.40 2dnx n LEU 77 Ca 0.11 0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 56.18 2dnx n LEU 77 Cb 0.03 -1.06 0.22 0.00 -2.33 0.00 0.00 43.42 40.29 2dnx n LEU 77 CO 0.37 -4.25 0.76 -2.16 -1.33 0.00 0.00 177.39 170.78 2dnx s PRO 78 N -2.72 -0.51 0.08 3.23 0.04 -1.26 -5.05 135.00 128.81 2dnx s PRO 78 Ca 0.55 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 61.33 2dnx s PRO 78 Cb -0.27 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2dnx s PRO 78 CO 0.69 -3.19 -0.13 -0.51 0.04 0.00 0.00 177.00 173.90 2dnx s LEU 79 N -6.47 2.91 0.84 -3.56 1.43 -1.26 -5.06 118.68 107.51 2dnx s LEU 79 Ca 0.74 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 2dnx s LEU 79 Cb -0.05 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.55 2dnx s LEU 79 CO 0.55 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 176.29 2dnx s PRO 80 N -1.94 1.71 0.29 1.29 0.04 -1.26 -4.96 135.00 130.17 2dnx s PRO 80 Ca 0.19 0.50 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2dnx s PRO 80 Cb -0.11 -1.89 0.43 0.00 0.04 0.00 0.00 34.50 32.98 2dnx s PRO 80 CO 0.11 -1.85 1.70 -0.07 0.04 0.00 0.00 177.00 176.93 2dnx h LEU 81 N -1.25 0.31 -9.49 -3.56 -0.00 -2.00 -3.43 115.31 95.90 2dnx h LEU 81 Ca -0.48 -0.13 -0.53 0.00 -0.00 0.00 0.00 57.88 56.74 2dnx h LEU 81 Cb 1.29 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 2dnx h LEU 81 CO 0.60 0.67 0.37 -0.44 -0.00 0.00 0.00 178.44 179.65 2dnx s SER 82 N -6.87 7.42 0.40 -0.43 0.01 -1.26 -4.93 113.70 108.04 2dnx s SER 82 Ca -0.05 1.74 0.21 0.00 1.31 0.00 0.00 55.95 59.16 2dnx s SER 82 Cb 0.13 -2.58 0.63 0.00 0.21 0.00 0.00 66.02 64.41 2dnx s SER 82 CO 0.78 -0.17 1.70 0.74 0.41 0.00 0.00 173.24 176.70 2dnx h THR 83 N 4.41 0.59 -0.29 1.44 2.02 -2.00 -2.89 112.91 116.19 2dnx h THR 83 Ca -0.42 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.26 2dnx h THR 83 Cb 1.22 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 2dnx h THR 83 CO 0.74 0.28 -0.15 0.77 0.37 0.00 0.00 175.52 177.52 2dnx h SER 84 N 0.00 0.49 1.40 4.18 4.64 -1.96 -1.87 113.55 120.43 2dnx h SER 84 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dnx h SER 84 Cb 0.95 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2dnx h SER 84 CO 0.04 0.67 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.08 2dnx h GLU 85 N 0.46 0.00 0.09 4.77 4.39 -1.91 -3.16 114.58 119.22 2dnx h GLU 85 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2dnx h GLU 85 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2dnx h GLU 85 CO 0.03 0.00 -0.04 1.96 -1.16 0.00 0.00 179.01 179.80 2dnx h GLN 86 N 0.00 -0.11 0.07 2.33 4.20 -1.15 -2.28 115.11 118.17 2dnx h GLN 86 Ca 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dnx h GLN 86 Cb 0.83 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2dnx h GLN 86 CO 0.00 0.35 -0.03 0.07 -0.67 0.00 0.00 178.83 178.55 2dnx h ARG 87 N -0.64 -0.09 -1.00 1.46 0.11 -1.58 -2.29 114.38 110.36 2dnx h ARG 87 Ca -0.01 0.01 0.20 0.00 0.10 0.00 0.00 59.98 60.28 2dnx h ARG 87 Cb 0.52 0.02 -0.10 0.00 1.11 0.00 0.00 29.97 31.51 2dnx h ARG 87 CO 0.02 0.02 0.61 1.96 0.10 0.00 0.00 179.97 182.68 2dnx h GLN 88 N -0.17 0.66 0.47 0.08 4.20 -1.62 0.97 115.11 119.69 2dnx h GLN 88 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2dnx h GLN 88 Cb 0.15 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2dnx h GLN 88 CO 0.02 0.43 -0.22 1.96 -0.67 0.00 0.00 178.83 180.34 2dnx h GLN 89 N 0.67 -0.60 -0.55 1.46 4.20 -0.92 0.25 115.11 119.62 2dnx h GLN 89 Ca 0.58 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.41 2dnx h GLN 89 Cb 1.02 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 2dnx h GLN 89 CO -0.36 -0.40 0.37 0.07 -0.67 0.00 0.00 178.83 177.83 2dnx h ARG 90 N -0.64 0.40 0.59 1.46 0.11 -0.88 -1.92 114.38 113.50 2dnx h ARG 90 Ca -0.06 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 2dnx h ARG 90 Cb 0.48 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.48 2dnx h ARG 90 CO 0.11 0.26 -0.28 -0.07 0.10 0.00 0.00 179.97 180.08 2dnx h LEU 91 N 0.41 -0.67 -0.95 0.08 3.38 0.12 0.77 115.31 118.44 2dnx h LEU 91 Ca 0.25 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.53 2dnx h LEU 91 Cb 0.45 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 2dnx h LEU 91 CO -0.07 -0.45 0.40 1.56 0.09 0.00 0.00 178.44 179.98 2dnx h GLN 92 N -0.86 0.23 0.11 1.13 1.08 -0.12 0.29 115.11 116.98 2dnx h GLN 92 Ca -0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2dnx h GLN 92 Cb 0.61 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dnx h GLN 92 CO 0.13 0.15 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.89 2dnx h LYS 93 N 0.24 -0.15 -0.95 1.46 3.64 -1.15 -1.59 116.57 118.08 2dnx h LYS 93 Ca 0.66 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 60.32 2dnx h LYS 93 Cb 1.46 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 33.15 2dnx h LYS 93 CO -0.66 0.25 0.11 0.93 -2.27 0.00 0.00 179.45 177.81 2dnx h GLU 94 N -0.58 0.05 -0.13 1.90 4.39 0.42 0.60 114.58 121.22 2dnx h GLU 94 Ca -0.02 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2dnx h GLU 94 Cb 0.46 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2dnx h GLU 94 CO 0.03 0.03 -0.11 0.00 -1.16 0.00 0.00 179.01 177.80 2dnx h ARG 95 N 0.05 0.31 -0.64 2.33 2.47 -1.09 -2.34 114.38 115.48 2dnx h ARG 95 Ca 0.60 -0.15 0.13 0.00 -1.26 0.00 0.00 59.98 59.30 2dnx h ARG 95 Cb 1.26 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.47 2dnx h ARG 95 CO -0.84 0.68 0.04 -0.07 0.56 0.00 0.00 179.97 180.35 2dnx h LEU 96 N -0.06 -0.21 0.57 3.04 3.38 0.10 1.42 115.31 123.55 2dnx h LEU 96 Ca 0.02 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2dnx h LEU 96 Cb 0.62 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2dnx h LEU 96 CO 0.03 -0.10 -0.28 0.24 0.09 0.00 0.00 178.44 178.42 2dnx h MET 97 N 0.15 -0.75 -0.42 1.13 2.86 -0.51 1.04 114.93 118.43 2dnx h MET 97 Ca 0.34 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.06 2dnx h MET 97 Cb 0.56 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2dnx h MET 97 CO -0.52 -0.50 0.28 -0.91 1.06 0.00 0.00 176.91 176.32 2dnx h ASN 98 N -0.78 0.39 0.40 1.22 2.35 -0.72 0.70 115.58 119.14 2dnx h ASN 98 Ca -0.08 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2dnx h ASN 98 Cb 0.60 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2dnx h ASN 98 CO 0.12 0.27 -0.19 0.44 -1.65 0.00 0.00 177.43 176.42 2dnx h ASP 99 N 0.45 -0.45 -0.83 5.81 3.32 0.25 -2.10 116.42 122.88 2dnx h ASP 99 Ca 0.17 -0.10 0.22 0.00 0.02 0.00 0.00 57.03 57.35 2dnx h ASP 99 Cb 0.12 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2dnx h ASP 99 CO -0.04 -0.02 0.58 0.15 -1.72 0.00 0.00 179.24 178.19 2dnx h PHE 100 N -1.03 0.16 0.44 4.55 3.57 0.15 -1.18 116.94 123.60 2dnx h PHE 100 Ca -0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2dnx h PHE 100 Cb 0.52 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2dnx h PHE 100 CO 0.02 0.04 -0.21 0.66 -2.23 0.00 0.00 178.31 176.59 2dnx h SER 101 N 0.12 -0.50 -0.85 0.41 4.64 -0.80 0.30 113.55 116.87 2dnx h SER 101 Ca 0.40 -0.09 0.21 0.00 -0.47 0.00 0.00 61.79 61.84 2dnx h SER 101 Cb 1.41 0.13 -0.13 0.00 -0.31 0.00 0.00 62.40 63.51 2dnx h SER 101 CO -0.06 -0.11 0.27 0.00 -0.87 0.00 0.00 176.83 176.07 2dnx h ALA 102 N -0.70 1.24 -0.23 5.18 0.00 -0.54 1.00 119.26 125.20 2dnx h ALA 102 Ca -0.06 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2dnx h ALA 102 Cb 0.57 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2dnx h ALA 102 CO 0.10 -0.38 -0.43 0.00 0.00 0.00 0.00 179.25 178.54 2dnx h ALA 103 N 1.71 0.82 0.61 0.00 0.00 -1.24 -2.69 119.26 118.47 2dnx h ALA 103 Ca 0.52 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2dnx h ALA 103 Cb 0.98 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2dnx h ALA 103 CO -0.57 0.65 -0.30 1.25 0.00 0.00 0.00 179.25 180.29 2dnx h LEU 104 N 0.47 -0.70 -0.99 0.00 5.85 0.46 -2.24 115.31 118.16 2dnx h LEU 104 Ca 0.04 0.02 0.35 0.00 0.84 0.00 0.00 57.88 59.13 2dnx h LEU 104 Cb 0.94 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 2dnx h LEU 104 CO 0.08 -0.46 0.51 -1.13 -0.34 0.00 0.00 178.44 177.10 2dnx h ASN 105 N -0.91 0.35 0.34 1.25 -1.24 0.13 0.54 115.58 116.04 2dnx h ASN 105 Ca -0.08 0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2dnx h ASN 105 Cb 0.63 0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 2dnx h ASN 105 CO 0.14 -0.27 -0.41 -1.13 -1.29 0.00 0.00 177.43 174.47 2dnx h ASN 106 N 0.17 -1.13 -0.95 1.15 -0.73 -1.18 0.16 115.58 113.07 2dnx h ASN 106 Ca 0.76 0.10 0.17 0.00 1.87 0.00 0.00 56.30 59.20 2dnx h ASN 106 Cb 1.84 0.39 -0.10 0.00 0.27 0.00 0.00 38.32 40.72 2dnx h ASN 106 CO -0.69 -0.54 0.55 0.15 -0.37 0.00 0.00 177.43 176.53 2dnx h PHE 107 N -0.78 0.98 0.34 0.67 3.57 0.63 -1.13 116.94 121.21 2dnx h PHE 107 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2dnx h PHE 107 Cb 0.72 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2dnx h PHE 107 CO -0.26 0.24 -0.18 1.96 -2.23 0.00 0.00 178.31 177.85 2dnx h GLN 108 N 0.75 -0.46 -1.04 1.11 4.20 -0.30 0.93 115.11 120.30 2dnx h GLN 108 Ca 0.53 0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.57 2dnx h GLN 108 Cb 0.77 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 2dnx h GLN 108 CO -0.36 -0.31 0.95 0.00 -0.67 0.00 0.00 178.83 178.44 2dnx h ALA 109 N -1.71 2.91 0.19 3.87 0.00 -0.63 1.61 119.26 125.51 2dnx h ALA 109 Ca -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2dnx h ALA 109 Cb 0.37 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.27 2dnx h ALA 109 CO 0.07 -1.48 -1.25 0.28 0.00 0.00 0.00 179.25 176.87 2dnx h VAL 110 N 0.00 1.31 -0.91 0.00 2.07 -0.40 -2.99 116.25 115.33 2dnx h VAL 110 Ca 0.49 -2.59 0.08 0.00 0.82 0.00 0.00 66.70 65.51 2dnx h VAL 110 Cb 2.39 3.05 -0.06 0.00 -1.52 0.00 0.00 31.29 35.14 2dnx h VAL 110 CO -0.01 0.77 0.59 0.06 0.02 0.00 0.00 177.57 179.00 2dnx h GLN 111 N -0.10 0.94 0.63 1.57 3.07 1.00 -0.79 115.11 121.42 2dnx h GLN 111 Ca -0.23 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.43 2dnx h GLN 111 Cb 1.92 -0.21 0.01 0.00 0.08 0.00 0.00 27.48 29.28 2dnx h GLN 111 CO 0.20 0.62 -0.30 -0.09 0.09 0.00 0.00 178.83 179.35 2dnx h ARG 112 N 0.96 -0.81 -1.04 0.06 1.12 -1.11 -1.95 114.38 111.61 2dnx h ARG 112 Ca 0.41 0.06 0.32 0.00 -1.11 0.00 0.00 59.98 59.66 2dnx h ARG 112 Cb 0.32 0.18 -0.14 0.00 -0.01 0.00 0.00 29.97 30.32 2dnx h ARG 112 CO -0.17 -0.54 0.61 0.00 -3.11 0.00 0.00 179.97 176.76 2dnx h ARG 113 N -1.11 0.32 -0.24 0.20 2.47 -1.34 0.78 114.38 115.46 2dnx h ARG 113 Ca -0.09 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2dnx h ARG 113 Cb 0.64 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2dnx h ARG 113 CO 0.14 0.21 0.11 0.28 0.56 0.00 0.00 179.97 181.27 2dnx h VAL 114 N 0.33 1.15 0.01 2.04 2.07 -1.05 -2.33 116.25 118.47 2dnx h VAL 114 Ca 0.72 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.82 2dnx h VAL 114 Cb 1.71 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2dnx h VAL 114 CO -0.54 0.15 -0.20 0.28 0.02 0.00 0.00 177.57 177.28 2dnx h SER 115 N 0.26 -0.60 -0.83 0.57 0.02 0.13 -1.44 113.55 111.66 2dnx h SER 115 Ca 0.08 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.32 2dnx h SER 115 Cb 0.14 0.25 -0.12 0.00 0.14 0.00 0.00 62.40 62.80 2dnx h SER 115 CO -0.01 -0.27 0.26 -0.33 -1.14 0.00 0.00 176.83 175.33 2dnx h GLU 116 N -0.33 0.28 -0.75 3.45 5.08 -0.97 0.68 114.58 122.02 2dnx h GLU 116 Ca 0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2dnx h GLU 116 Cb 0.40 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2dnx h GLU 116 CO -0.18 0.19 0.48 -0.22 -1.00 0.00 0.00 179.01 178.27 2dnx h LYS 117 N 0.29 0.92 0.00 2.33 1.63 -0.74 0.69 116.57 121.69 2dnx h LYS 117 Ca 0.50 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2dnx h LYS 117 Cb 0.93 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2dnx h LYS 117 CO -0.56 0.61 0.00 0.39 -3.45 0.00 0.00 179.45 176.44 2dnx n GLU 118 N -4.62 0.24 -0.02 1.90 -0.58 0.18 -2.23 120.64 115.52 2dnx n GLU 118 Ca 0.08 0.34 -0.08 0.00 -0.42 0.00 0.00 57.16 57.09 2dnx n GLU 118 Cb 0.08 -1.86 -0.13 0.00 -0.57 0.00 0.00 31.44 28.95 2dnx n GLU 118 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2dnx n LYS 119 N -2.29 0.63 0.18 3.49 5.02 0.17 -3.48 118.16 121.87 2dnx n LYS 119 Ca 0.04 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.67 2dnx n LYS 119 Cb 0.32 -1.79 0.21 0.00 -0.02 0.00 0.00 35.03 33.75 2dnx n LYS 119 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2dnx h GLU 120 N 0.00 0.00 0.31 1.97 5.08 0.54 -0.86 114.58 121.63 2dnx h GLU 120 Ca -0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2dnx h GLU 120 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2dnx h GLU 120 CO 0.07 0.37 -0.15 1.03 -1.00 0.00 0.00 179.01 179.33 2dnx h SER 121 N 0.00 -0.35 0.76 1.42 0.87 -1.56 -3.37 113.55 111.32 2dnx h SER 121 Ca -0.00 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2dnx h SER 121 Cb 1.10 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2dnx h SER 121 CO 0.05 0.02 -0.36 0.40 -0.53 0.00 0.00 176.83 176.41 2dnx h ILE 122 N -0.97 0.18 -3.09 2.23 2.04 -1.66 -3.49 117.51 112.76 2dnx h ILE 122 Ca -0.04 -0.13 0.34 0.00 1.00 0.00 0.00 64.86 66.02 2dnx h ILE 122 Cb 0.32 0.21 -0.14 0.00 -0.74 0.00 0.00 36.82 36.48 2dnx h ILE 122 CO 0.07 0.01 -0.86 0.00 0.00 0.00 0.00 178.15 177.38 2dnx n ALA 123 N -2.60 -3.44 -1.14 1.87 0.00 -0.33 -5.03 120.51 109.84 2dnx n ALA 123 Ca -0.14 0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2dnx n ALA 123 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2dnx n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnx n ARG 124 N -4.16 -3.21 -2.59 0.00 5.12 -1.26 -4.96 116.66 105.61 2dnx n ARG 124 Ca -0.04 2.34 -0.00 0.00 -1.93 0.00 0.00 57.85 58.22 2dnx n ARG 124 Cb 0.62 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dnx n SER 125 N -0.19 -7.41 0.00 0.55 2.88 -1.26 -5.07 113.62 103.12 2dnx n SER 125 Ca 0.00 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2dnx n SER 125 Cb 0.00 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 58.57 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnx n GLY 126 N 0.61 2.79 3.78 0.46 0.00 -1.26 -5.17 105.19 106.41 2dnx n GLY 126 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2dnx n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnx s PRO 127 N -0.20 0.88 0.50 1.61 0.04 -1.26 -4.78 135.00 131.79 2dnx s PRO 127 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2dnx s PRO 127 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2dnx s PRO 127 CO 0.00 -2.35 0.00 0.45 0.04 0.00 0.00 177.00 175.14 2dnx n SER 128 N -3.85 -7.13 -4.58 6.66 2.88 -1.26 -4.32 113.62 102.02 2dnx n SER 128 Ca 0.08 1.56 -0.17 0.00 -1.33 0.00 0.00 58.87 59.01 2dnx n SER 128 Cb 0.59 -4.11 -0.11 0.00 -0.75 0.00 0.00 64.21 59.84 2dnx n SER 128 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnx s SER 129 N -4.96 3.72 0.00 -3.46 0.15 -1.26 -5.17 113.70 102.73 2dnx s SER 129 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2dnx s SER 129 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dnx s SER 129 CO 0.00 -4.47 0.48 0.61 1.20 0.00 0.00 173.24 171.05