#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx n SER 2 N 0.00 -7.40 -4.77 1.61 2.88 -1.26 -5.02 113.62 99.66 2dnx n SER 2 Ca 0.00 0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.45 2dnx n SER 2 Cb 0.00 -4.68 -0.05 0.00 -0.75 0.00 0.00 64.21 58.73 2dnx n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnx s SER 3 N -2.66 5.17 -0.22 -3.46 0.15 -1.26 -5.09 113.70 106.33 2dnx s SER 3 Ca 0.16 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.41 2dnx s SER 3 Cb -0.04 -1.18 0.05 0.00 -1.71 0.00 0.00 66.02 63.15 2dnx s SER 3 CO 0.78 -0.06 -0.09 -0.83 1.20 0.00 0.00 173.24 174.25 2dnx s GLY 4 N -3.80 1.35 0.20 9.45 0.00 -1.26 -5.11 107.32 108.15 2dnx s GLY 4 Ca 0.33 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2dnx s GLY 4 CO 0.23 0.75 0.00 -0.45 0.00 0.00 0.00 173.10 173.63 2dnx s SER 5 N 1.34 1.48 0.22 1.64 0.15 -1.26 -5.05 113.70 112.22 2dnx s SER 5 Ca -0.04 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2dnx s SER 5 Cb -0.18 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2dnx s SER 5 CO -0.07 -0.55 0.00 -1.54 1.20 0.00 0.00 173.24 172.28 2dnx n SER 6 N -0.33 0.01 0.00 5.45 3.41 -1.26 -5.14 113.62 115.76 2dnx n SER 6 Ca -0.06 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2dnx n SER 6 Cb 0.64 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2dnx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnx n GLY 7 N 1.79 0.35 1.02 5.00 0.00 -1.26 -5.16 105.19 106.93 2dnx n GLY 7 Ca 0.00 0.42 0.13 0.00 0.00 0.00 0.00 46.02 46.57 2dnx n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dnx n GLN 8 N 0.00 -2.25 -2.95 1.61 7.27 -1.26 -4.24 117.38 115.56 2dnx n GLN 8 Ca 0.00 1.72 -0.42 0.00 0.07 0.00 0.00 57.00 58.36 2dnx n GLN 8 Cb 0.00 -2.67 -0.05 0.00 2.41 0.00 0.00 30.24 29.93 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2dnx s LEU 9 N -6.52 4.15 -0.90 1.69 2.01 -1.26 -4.29 118.68 113.56 2dnx s LEU 9 Ca 0.00 0.21 -0.07 0.00 0.01 0.00 0.00 54.13 54.28 2dnx s LEU 9 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 46.19 43.18 2dnx s LEU 9 CO 0.00 -0.81 0.68 0.54 1.01 0.00 0.00 176.35 177.77 2dnx n ARG 10 N 6.56 -1.33 -2.24 1.70 1.74 -1.26 -4.93 116.66 116.89 2dnx n ARG 10 Ca 0.03 0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 57.64 2dnx n ARG 10 Cb 0.48 -3.68 -0.02 0.00 -1.02 0.00 0.00 32.46 28.22 2dnx n ARG 10 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dnx s ASP 11 N -3.13 6.50 0.27 0.55 -1.08 -1.26 -4.67 116.67 113.84 2dnx s ASP 11 Ca 0.14 1.53 -0.03 0.00 -0.52 0.00 0.00 52.55 53.66 2dnx s ASP 11 Cb -0.06 -2.50 0.56 0.00 -1.46 0.00 0.00 42.92 39.47 2dnx s ASP 11 CO 0.85 -0.68 1.62 0.15 0.52 0.00 0.00 175.17 177.63 2dnx h PHE 12 N 0.55 -0.01 -0.07 -5.34 3.04 -1.93 1.79 116.94 114.96 2dnx h PHE 12 Ca -0.46 0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.46 2dnx h PHE 12 Cb 1.19 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.83 2dnx h PHE 12 CO 0.64 -0.29 -0.36 0.77 -2.02 0.00 0.00 178.31 177.05 2dnx h SER 13 N 0.09 0.15 0.08 0.41 0.02 -1.96 0.58 113.55 112.92 2dnx h SER 13 Ca 0.48 -0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 61.14 2dnx h SER 13 Cb 0.91 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2dnx h SER 13 CO -0.75 0.50 -0.96 0.28 -1.14 0.00 0.00 176.83 174.76 2dnx h SER 14 N 0.13 0.80 -0.04 3.07 0.02 0.13 -2.49 113.55 115.16 2dnx h SER 14 Ca 0.01 -0.61 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 2dnx h SER 14 Cb 0.69 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2dnx h SER 14 CO 0.05 1.41 -0.24 0.40 -1.14 0.00 0.00 176.83 177.31 2dnx h ILE 15 N 0.37 1.46 0.06 3.27 2.04 0.24 -3.03 117.51 121.91 2dnx h ILE 15 Ca -0.10 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.05 2dnx h ILE 15 Cb 1.60 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 40.11 2dnx h ILE 15 CO 0.18 0.48 -0.20 0.40 0.00 0.00 0.00 178.15 179.02 2dnx h ILE 16 N -0.31 0.00 -0.92 -0.67 2.04 0.08 0.36 117.51 118.09 2dnx h ILE 16 Ca -0.02 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 2dnx h ILE 16 Cb 0.91 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.82 2dnx h ILE 16 CO 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.93 2dnx n GLN 17 N -3.56 -0.12 -0.07 2.37 1.13 -0.94 0.13 117.38 116.32 2dnx n GLN 17 Ca -0.03 1.44 -0.08 0.00 -1.94 0.00 0.00 57.00 56.38 2dnx n GLN 17 Cb 0.16 -2.14 -0.01 0.00 0.11 0.00 0.00 30.24 28.35 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2dnx h THR 18 N 0.00 1.00 -0.20 5.09 2.02 -1.23 -1.52 112.91 118.06 2dnx h THR 18 Ca 0.41 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.54 2dnx h THR 18 Cb 0.64 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 2dnx h THR 18 CO -0.94 0.06 -0.31 0.00 0.37 0.00 0.00 175.52 174.70 2dnx h SER 20 N -0.34 -1.43 -0.12 0.00 0.87 -0.42 0.03 113.55 112.14 2dnx h SER 20 Ca 0.12 0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2dnx h SER 20 Cb 0.53 0.59 -0.05 0.00 -0.44 0.00 0.00 62.40 63.03 2dnx h SER 20 CO -0.39 -0.42 -0.37 1.23 -0.53 0.00 0.00 176.83 176.35 2dnx h GLY 21 N -0.45 -1.26 -0.78 5.77 0.00 -0.38 -1.41 103.07 104.57 2dnx h GLY 21 Ca 0.09 0.69 0.09 0.00 0.00 0.00 0.00 47.33 48.20 2dnx h GLY 21 CO -0.47 -0.32 -0.53 3.43 0.00 0.00 0.00 176.54 178.65 2dnx h ASN 22 N -0.38 -1.87 -0.83 0.19 4.21 -0.45 0.78 115.58 117.24 2dnx h ASN 22 Ca 0.03 0.29 0.08 0.00 1.21 0.00 0.00 56.30 57.90 2dnx h ASN 22 Cb 0.45 0.84 -0.10 0.00 -1.12 0.00 0.00 38.32 38.39 2dnx h ASN 22 CO -0.32 -0.30 -0.51 0.40 -1.29 0.00 0.00 177.43 175.42 2dnx h ILE 23 N -0.13 0.00 -0.64 2.81 2.04 -0.28 0.11 117.51 121.42 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 0.51 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.50 2dnx h ILE 23 CO -0.83 0.00 -0.47 1.56 0.00 0.00 0.00 178.15 178.41 2dnx h GLN 24 N -0.02 -0.11 -0.57 2.37 1.08 0.17 0.46 115.11 118.49 2dnx h GLN 24 Ca 0.13 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.43 2dnx h GLN 24 Cb 0.36 0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.71 2dnx h GLN 24 CO -0.79 -0.08 -0.42 0.00 -0.95 0.00 0.00 178.83 176.59 2dnx h ARG 25 N -0.12 -0.22 -0.73 1.46 -0.00 -0.08 1.17 114.38 115.85 2dnx h ARG 25 Ca 0.10 0.02 0.13 0.00 -0.50 0.00 0.00 59.98 59.73 2dnx h ARG 25 Cb 0.39 0.05 -0.14 0.00 0.00 0.00 0.00 29.97 30.27 2dnx h ARG 25 CO -0.66 -0.15 -0.28 0.82 0.00 0.00 0.00 179.97 179.70 2dnx h ILE 26 N -0.23 0.17 -0.32 2.04 2.04 0.11 1.04 117.51 122.36 2dnx h ILE 26 Ca 0.18 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 2dnx h ILE 26 Cb 0.56 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2dnx h ILE 26 CO -0.68 0.00 -0.16 -1.28 0.00 0.00 0.00 178.15 176.03 2dnx h SER 27 N -0.07 0.56 0.34 1.72 0.87 0.99 -1.77 113.55 116.18 2dnx h SER 27 Ca 0.31 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2dnx h SER 27 Cb 0.57 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2dnx h SER 27 CO -0.78 0.74 -0.16 1.56 -0.53 0.00 0.00 176.83 177.65 2dnx h GLN 28 N 0.51 -0.43 -0.91 2.24 4.20 0.84 -1.77 115.11 119.78 2dnx h GLN 28 Ca 0.09 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.07 2dnx h GLN 28 Cb 0.57 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.32 2dnx h GLN 28 CO 0.04 -0.29 0.37 0.00 -0.67 0.00 0.00 178.83 178.28 2dnx h ALA 29 N -1.74 1.47 -0.35 3.87 0.00 0.63 1.59 119.26 124.74 2dnx h ALA 29 Ca -0.05 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2dnx h ALA 29 Cb 0.34 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2dnx h ALA 29 CO 0.08 -0.41 0.24 1.15 0.00 0.00 0.00 179.25 180.30 2dnx h THR 30 N 0.33 0.90 0.02 0.00 2.02 -1.21 0.32 112.91 115.30 2dnx h THR 30 Ca 0.59 -0.05 -0.26 0.00 0.77 0.00 0.00 66.41 67.45 2dnx h THR 30 Cb 1.17 0.73 0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2dnx h THR 30 CO -0.58 0.03 -1.03 0.00 0.37 0.00 0.00 175.52 174.31 2dnx h ALA 31 N 1.82 0.09 -0.90 6.16 0.00 0.31 -2.83 119.26 123.92 2dnx h ALA 31 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dnx h ALA 31 Cb 0.44 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2dnx h ALA 31 CO -0.02 0.64 0.58 1.96 0.00 0.00 0.00 179.25 182.41 2dnx h GLN 32 N 0.31 1.20 -0.23 0.00 4.20 0.55 0.49 115.11 121.63 2dnx h GLN 32 Ca -0.13 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2dnx h GLN 32 Cb 1.69 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 2dnx h GLN 32 CO 0.20 0.81 0.12 0.82 -0.67 0.00 0.00 178.83 180.12 2dnx h ILE 33 N 1.23 1.11 -0.53 2.54 2.04 -1.03 1.41 117.51 124.28 2dnx h ILE 33 Ca 0.33 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2dnx h ILE 33 Cb -0.11 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2dnx h ILE 33 CO -0.07 0.11 0.05 0.11 0.00 0.00 0.00 178.15 178.35 2dnx h LYS 34 N 0.26 0.87 -0.11 2.37 1.57 -1.16 2.06 116.57 122.41 2dnx h LYS 34 Ca 0.08 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 2dnx h LYS 34 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2dnx h LYS 34 CO -0.01 0.83 -0.58 -0.91 -0.57 0.00 0.00 179.45 178.21 2dnx h ASN 35 N 0.81 0.41 1.30 0.86 4.21 0.54 -2.84 115.58 120.88 2dnx h ASN 35 Ca 0.16 -0.23 -0.10 0.00 1.21 0.00 0.00 56.30 57.34 2dnx h ASN 35 Cb 0.42 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 2dnx h ASN 35 CO 0.01 0.90 -0.72 -0.07 -1.29 0.00 0.00 177.43 176.26 2dnx h LEU 36 N 0.28 0.00 -0.24 1.61 3.38 0.25 -3.23 115.31 117.36 2dnx h LEU 36 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 36 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2dnx h LEU 36 CO 0.10 0.43 0.09 -0.03 0.09 0.00 0.00 178.44 179.12 2dnx h MET 37 N 0.00 0.19 0.00 1.13 4.05 0.36 -1.35 114.93 119.31 2dnx h MET 37 Ca -0.04 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 2dnx h MET 37 Cb 1.37 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.12 2dnx h MET 37 CO 0.05 0.13 -0.30 0.77 0.23 0.00 0.00 176.91 177.79 2dnx h SER 38 N 0.20 0.00 0.39 1.39 0.02 -1.63 -2.35 113.55 111.56 2dnx h SER 38 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2dnx h SER 38 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2dnx h SER 38 CO -0.10 0.30 -0.03 1.56 -1.14 0.00 0.00 176.83 177.42 2dnx h GLN 39 N 0.00 0.00 0.95 3.45 4.20 -1.27 -2.87 115.11 119.57 2dnx h GLN 39 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2dnx h GLN 39 Cb 0.75 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 2dnx h GLN 39 CO 0.04 0.03 -0.46 -0.07 -0.67 0.00 0.00 178.83 177.70 2dnx h LEU 40 N 0.00 -1.08 -5.80 1.46 3.38 -1.06 -3.21 115.31 109.01 2dnx h LEU 40 Ca -0.00 0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.36 2dnx h LEU 40 Cb 0.23 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2dnx h LEU 40 CO 0.00 -0.77 3.06 0.61 0.09 0.00 0.00 178.44 181.43 2dnx n GLY 41 N -1.62 3.80 3.57 0.83 0.00 -1.08 -4.77 105.19 105.92 2dnx n GLY 41 Ca -0.16 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 2dnx n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dnx s THR 42 N 3.38 0.00 0.19 2.61 2.01 -1.21 -5.06 115.64 117.57 2dnx s THR 42 Ca 0.54 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2dnx s THR 42 Cb 0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2dnx s THR 42 CO -0.03 0.00 0.00 1.17 -0.69 0.00 0.00 174.62 175.07 2dnx n LYS 43 N 0.19 -1.68 0.01 4.92 3.00 -1.26 -4.57 118.16 118.77 2dnx n LYS 43 Ca -0.06 1.11 -0.00 0.00 -0.00 0.00 0.00 58.31 59.36 2dnx n LYS 43 Cb 0.59 -2.05 -0.00 0.00 0.00 0.00 0.00 35.03 33.57 2dnx n LYS 43 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2dnx h GLN 44 N 0.00 -0.02 -6.01 1.64 4.20 -1.98 -3.47 115.11 109.46 2dnx h GLN 44 Ca 0.02 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 2dnx h GLN 44 Cb 0.76 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 2dnx h GLN 44 CO 0.01 -0.02 -0.28 -0.51 -0.67 0.00 0.00 178.83 177.36 2dnx s ASP 45 N -2.58 4.68 -0.45 1.46 1.01 -1.26 -5.09 116.67 114.44 2dnx s ASP 45 Ca -0.00 -1.21 0.05 0.00 0.71 0.00 0.00 52.55 52.10 2dnx s ASP 45 Cb 0.00 0.42 0.29 0.00 1.01 0.00 0.00 42.92 44.64 2dnx s ASP 45 CO 0.01 -1.14 1.07 -1.54 0.21 0.00 0.00 175.17 173.78 2dnx n SER 46 N -1.82 -2.38 -0.09 0.27 3.41 -1.26 -4.92 113.62 106.83 2dnx n SER 46 Ca 0.00 -3.26 -0.17 0.00 -0.26 0.00 0.00 58.87 55.19 2dnx n SER 46 Cb 0.64 1.74 -0.09 0.00 -0.26 0.00 0.00 64.21 66.24 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 3.30 0.00 -0.49 4.04 0.02 -1.98 -3.24 113.55 115.19 2dnx h SER 47 Ca -0.15 -0.47 0.08 0.00 -0.84 0.00 0.00 61.79 60.41 2dnx h SER 47 Cb 1.09 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 2dnx h SER 47 CO 0.17 1.25 -0.44 0.50 -1.14 0.00 0.00 176.83 177.16 2dnx h LYS 48 N -1.00 -0.27 -0.05 3.45 3.64 -1.99 -0.47 116.57 119.87 2dnx h LYS 48 Ca -0.22 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2dnx h LYS 48 Cb 1.06 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2dnx h LYS 48 CO -0.13 -0.18 -0.31 -0.07 -2.27 0.00 0.00 179.45 176.48 2dnx h LEU 49 N -0.28 -0.98 -0.66 5.20 -0.00 -1.96 1.00 115.31 117.63 2dnx h LEU 49 Ca 0.15 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.21 2dnx h LEU 49 Cb 0.57 0.38 -0.08 0.00 -0.00 0.00 0.00 40.66 41.53 2dnx h LEU 49 CO -0.63 -0.29 -0.39 0.00 -0.00 0.00 0.00 178.44 177.13 2dnx n GLN 50 N -4.21 -0.29 -0.29 1.13 6.02 -0.67 0.19 117.38 119.26 2dnx n GLN 50 Ca -0.04 1.14 0.08 0.00 -0.01 0.00 0.00 57.00 58.17 2dnx n GLN 50 Cb 0.22 -1.68 0.23 0.00 1.02 0.00 0.00 30.24 30.03 2dnx n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2dnx h GLU 51 N 0.00 0.52 -0.28 -1.09 5.08 -0.56 0.58 114.58 118.83 2dnx h GLU 51 Ca 0.11 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2dnx h GLU 51 Cb 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2dnx h GLU 51 CO -0.62 0.35 0.07 -0.97 -1.00 0.00 0.00 179.01 176.84 2dnx h ASN 52 N 0.54 0.06 -0.28 1.42 -0.73 0.47 -0.91 115.58 116.15 2dnx h ASN 52 Ca 0.47 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.71 2dnx h ASN 52 Cb 0.73 0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.31 2dnx h ASN 52 CO -0.41 0.07 -0.39 -0.07 -0.37 0.00 0.00 177.43 176.26 2dnx h LEU 53 N 0.19 -1.32 -0.00 0.34 3.38 0.19 0.94 115.31 119.03 2dnx h LEU 53 Ca 0.13 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.28 2dnx h LEU 53 Cb 0.12 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2dnx h LEU 53 CO -0.15 -0.29 -0.26 1.56 0.09 0.00 0.00 178.44 179.39 2dnx h GLN 54 N -0.29 -0.31 -0.82 1.13 4.20 -1.18 0.48 115.11 118.32 2dnx h GLN 54 Ca 0.05 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.92 2dnx h GLN 54 Cb 0.42 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.13 2dnx h GLN 54 CO -0.41 -0.21 -0.33 1.96 -0.67 0.00 0.00 178.83 179.17 2dnx h GLN 55 N -0.32 -0.06 0.32 1.46 4.20 -0.74 0.35 115.11 120.31 2dnx h GLN 55 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2dnx h GLN 55 Cb 0.35 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2dnx h GLN 55 CO -0.18 -0.04 -0.46 -0.07 -0.67 0.00 0.00 178.83 177.42 2dnx h LEU 56 N -0.06 -1.29 -0.26 1.46 3.38 0.16 0.30 115.31 118.99 2dnx h LEU 56 Ca 0.32 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.45 2dnx h LEU 56 Cb 0.59 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2dnx h LEU 56 CO -0.85 -0.57 -0.44 1.56 0.09 0.00 0.00 178.44 178.22 2dnx h GLN 57 N -0.82 -0.34 -0.35 1.13 4.20 0.23 -1.11 115.11 118.05 2dnx h GLN 57 Ca -0.02 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2dnx h GLN 57 Cb 0.77 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.54 2dnx h GLN 57 CO -0.14 -0.23 -0.45 1.25 -0.67 0.00 0.00 178.83 178.59 2dnx h HIS 58 N -0.35 -1.31 -0.96 2.96 2.76 -0.22 0.38 115.15 118.41 2dnx h HIS 58 Ca 0.05 0.07 0.29 0.00 -2.20 0.00 0.00 60.37 58.58 2dnx h HIS 58 Cb 0.49 0.62 -0.18 0.00 1.55 0.00 0.00 27.41 29.89 2dnx h HIS 58 CO -0.66 -0.46 0.12 0.43 -1.30 0.00 0.00 177.93 176.06 2dnx n SER 59 N -5.42 -0.02 -0.04 3.26 7.64 0.10 0.11 113.62 119.25 2dnx n SER 59 Ca -0.02 1.63 -0.14 0.00 1.01 0.00 0.00 58.87 61.35 2dnx n SER 59 Cb 0.35 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 2dnx n SER 59 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2dnx h THR 60 N 0.00 1.40 -0.72 0.44 2.02 0.54 -2.61 112.91 113.98 2dnx h THR 60 Ca 0.63 -1.57 0.13 0.00 0.77 0.00 0.00 66.41 66.37 2dnx h THR 60 Cb 1.40 2.18 -0.13 0.00 -1.74 0.00 0.00 68.15 69.86 2dnx h THR 60 CO -0.87 0.45 -0.32 -1.13 0.37 0.00 0.00 175.52 174.01 2dnx h ASN 61 N -0.14 -1.16 0.96 4.18 -0.73 0.46 0.17 115.58 119.32 2dnx h ASN 61 Ca -0.00 0.25 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 2dnx h ASN 61 Cb 0.85 0.61 0.01 0.00 0.27 0.00 0.00 38.32 40.05 2dnx h ASN 61 CO 0.05 -0.29 -0.49 1.56 -0.37 0.00 0.00 177.43 177.89 2dnx h GLN 62 N -0.10 -1.28 -0.89 6.67 4.20 -1.04 -2.48 115.11 120.21 2dnx h GLN 62 Ca 0.29 0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.16 2dnx h GLN 62 Cb 0.57 0.29 -0.11 0.00 0.30 0.00 0.00 27.48 28.53 2dnx h GLN 62 CO -0.78 -0.85 -0.52 1.28 -0.67 0.00 0.00 178.83 177.29 2dnx n LEU 63 N -5.67 -0.94 -0.27 1.46 4.77 -0.49 0.04 117.00 115.92 2dnx n LEU 63 Ca -0.16 1.61 -0.12 0.00 -0.03 0.00 0.00 56.01 57.31 2dnx n LEU 63 Cb 0.53 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2dnx n LEU 63 CO 0.39 -1.30 0.49 0.00 -1.33 0.00 0.00 177.39 175.64 2dnx h ALA 64 N 0.41 -0.63 -0.83 -1.18 0.00 -0.62 0.67 119.26 117.07 2dnx h ALA 64 Ca 0.14 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.26 2dnx h ALA 64 Cb 0.36 1.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 2dnx h ALA 64 CO -0.83 -0.95 -0.27 0.87 0.00 0.00 0.00 179.25 178.07 2dnx h LYS 65 N -0.18 -0.03 -0.18 0.00 1.57 0.09 0.54 116.57 118.38 2dnx h LYS 65 Ca 0.11 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2dnx h LYS 65 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2dnx h LYS 65 CO -0.72 -0.02 0.06 0.93 -0.57 0.00 0.00 179.45 179.13 2dnx h GLU 66 N -0.03 0.14 -0.10 3.15 5.08 0.16 0.92 114.58 123.90 2dnx h GLU 66 Ca 0.37 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2dnx h GLU 66 Cb 0.61 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2dnx h GLU 66 CO -0.86 0.09 -0.22 1.15 -1.00 0.00 0.00 179.01 178.17 2dnx h THR 67 N 0.15 0.47 -0.85 1.13 2.02 0.47 0.40 112.91 116.69 2dnx h THR 67 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.32 2dnx h THR 67 Cb 0.05 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2dnx h THR 67 CO -0.08 0.00 0.53 -1.13 0.37 0.00 0.00 175.52 175.20 2dnx h ASN 68 N -0.29 0.82 -0.89 4.18 -1.24 0.05 0.60 115.58 118.82 2dnx h ASN 68 Ca 0.09 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 2dnx h ASN 68 Cb 0.43 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.28 2dnx h ASN 68 CO -0.27 0.52 0.49 -0.33 -1.29 0.00 0.00 177.43 176.55 2dnx h GLU 69 N 0.95 1.23 -0.05 6.67 4.39 0.54 -1.62 114.58 126.70 2dnx h GLU 69 Ca 0.38 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 2dnx h GLU 69 Cb 0.19 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2dnx h GLU 69 CO -0.18 0.90 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.44 2dnx h LEU 70 N 1.24 0.14 -2.04 1.33 3.38 0.13 -1.19 115.31 118.29 2dnx h LEU 70 Ca 0.31 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2dnx h LEU 70 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2dnx h LEU 70 CO -0.05 0.61 0.33 -0.07 0.09 0.00 0.00 178.44 179.35 2dnx h LEU 71 N -0.33 0.00 0.12 1.67 3.38 0.41 1.36 115.31 121.92 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 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2dnx h LEU 71 CO 0.01 0.00 -1.82 0.11 0.09 0.00 0.00 178.44 176.83 2dnx h LYS 72 N 0.00 0.25 0.00 1.13 1.57 -0.90 -3.28 116.57 115.34 2dnx h LYS 72 Ca 0.03 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 2dnx h LYS 72 Cb 0.69 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2dnx h LYS 72 CO -0.00 1.12 -0.26 1.05 -0.57 0.00 0.00 179.45 180.79 2dnx h GLU 73 N 0.07 0.00 0.18 3.15 4.11 0.13 -2.88 114.58 119.35 2dnx h GLU 73 Ca -0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 2dnx h GLU 73 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2dnx h GLU 73 CO 0.12 0.26 -0.09 1.25 0.07 0.00 0.00 179.01 180.62 2dnx h LEU 74 N 0.00 -0.21 -2.13 3.06 6.46 0.14 -2.85 115.31 119.78 2dnx h LEU 74 Ca -0.00 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 2dnx h LEU 74 Cb 1.04 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 2dnx h LEU 74 CO 0.03 -0.11 0.31 1.23 -0.62 0.00 0.00 178.44 179.28 2dnx h GLY 75 N -0.32 0.00 0.98 3.75 0.00 -1.67 0.35 103.07 106.16 2dnx h GLY 75 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2dnx h GLY 75 CO 0.04 0.00 0.28 1.76 0.00 0.00 0.00 176.54 178.62 2dnx h SER 76 N 0.00 0.63 -2.36 0.19 0.02 -1.38 -3.44 113.55 107.22 2dnx h SER 76 Ca 0.09 -0.09 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2dnx h SER 76 Cb 0.71 -0.16 0.22 0.00 0.14 0.00 0.00 62.40 63.30 2dnx h SER 76 CO -0.00 0.54 -1.36 0.18 -1.14 0.00 0.00 176.83 175.05 2dnx n LEU 77 N -4.65 -3.89 0.00 5.07 4.77 0.11 -4.96 117.00 113.46 2dnx n LEU 77 Ca 0.02 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2dnx n LEU 77 Cb 0.08 -0.90 0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2dnx n LEU 77 CO 0.36 -5.10 0.20 -0.81 -1.33 0.00 0.00 177.39 170.72 2dnx n PRO 78 N 1.29 -0.95 -4.35 3.23 -0.04 -1.26 -5.06 135.00 127.86 2dnx n PRO 78 Ca 0.03 -0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 62.67 2dnx n PRO 78 Cb 0.53 -0.40 -0.11 0.00 -0.04 0.00 0.00 33.50 33.48 2dnx n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dnx s LEU 79 N 0.00 2.96 0.28 1.53 1.43 -1.26 -5.10 118.68 118.53 2dnx s LEU 79 Ca 0.20 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2dnx s LEU 79 Cb -0.01 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 2dnx s LEU 79 CO 0.14 0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.85 2dnx s PRO 80 N -1.93 4.63 0.61 1.29 0.04 -1.26 -4.88 135.00 133.49 2dnx s PRO 80 Ca 0.19 1.75 0.27 0.00 0.04 0.00 0.00 61.00 63.26 2dnx s PRO 80 Cb -0.11 -3.16 1.26 0.00 0.04 0.00 0.00 34.50 32.53 2dnx s PRO 80 CO 0.11 0.22 1.67 -0.07 0.04 0.00 0.00 177.00 178.97 2dnx h LEU 81 N 3.77 0.00 -9.57 -3.56 4.07 -2.00 -3.38 115.31 104.64 2dnx h LEU 81 Ca -0.47 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 56.91 2dnx h LEU 81 Cb 1.21 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.89 2dnx h LEU 81 CO 0.67 0.00 -0.12 -0.44 -1.08 0.00 0.00 178.44 177.47 2dnx s SER 82 N -4.47 6.86 0.41 -0.43 0.01 -1.26 -4.96 113.70 109.86 2dnx s SER 82 Ca -0.03 1.02 0.25 0.00 1.31 0.00 0.00 55.95 58.50 2dnx s SER 82 Cb 0.14 -2.30 0.59 0.00 0.21 0.00 0.00 66.02 64.66 2dnx s SER 82 CO 0.48 0.20 1.70 0.74 0.41 0.00 0.00 173.24 176.76 2dnx h THR 83 N 3.99 0.00 -0.12 1.44 2.02 -2.01 -2.97 112.91 115.26 2dnx h THR 83 Ca -0.47 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 2dnx h THR 83 Cb 1.20 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2dnx h THR 83 CO 0.67 0.00 -0.46 -1.28 0.37 0.00 0.00 175.52 174.82 2dnx h SER 84 N 0.00 0.31 1.10 4.18 0.87 -1.92 -2.60 113.55 115.49 2dnx h SER 84 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2dnx h SER 84 Cb 0.86 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2dnx h SER 84 CO 0.00 0.73 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.19 2dnx h GLU 85 N 0.24 0.00 0.21 2.24 4.39 -1.88 -3.22 114.58 116.56 2dnx h GLU 85 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2dnx h GLU 85 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2dnx h GLU 85 CO 0.07 0.00 -0.10 1.96 -1.16 0.00 0.00 179.01 179.78 2dnx h GLN 86 N 0.00 -0.27 -0.90 2.33 4.20 -1.31 -0.80 115.11 118.36 2dnx h GLN 86 Ca 0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.83 2dnx h GLN 86 Cb 0.81 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.57 2dnx h GLN 86 CO 0.00 -0.18 0.55 0.07 -0.67 0.00 0.00 178.83 178.60 2dnx h ARG 87 N -0.38 0.88 0.00 1.46 0.11 -1.70 0.22 114.38 114.97 2dnx h ARG 87 Ca -0.03 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2dnx h ARG 87 Cb 0.21 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2dnx h ARG 87 CO 0.05 0.58 -0.03 1.96 0.10 0.00 0.00 179.97 182.63 2dnx h GLN 88 N 0.91 0.00 0.30 0.08 1.08 -1.60 0.40 115.11 116.28 2dnx h GLN 88 Ca 0.43 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.62 2dnx h GLN 88 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2dnx h GLN 88 CO -0.24 0.03 -0.14 1.96 -0.95 0.00 0.00 178.83 179.48 2dnx h GLN 89 N 0.00 -0.39 -0.91 1.46 4.20 0.92 -1.97 115.11 118.43 2dnx h GLN 89 Ca -0.00 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 2dnx h GLN 89 Cb 0.05 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2dnx h GLN 89 CO 0.00 -0.26 0.59 0.07 -0.67 0.00 0.00 178.83 178.56 2dnx h ARG 90 N -1.01 0.94 0.20 1.46 0.11 -1.12 -1.22 114.38 113.75 2dnx h ARG 90 Ca -0.04 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 2dnx h ARG 90 Cb 0.31 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2dnx h ARG 90 CO 0.07 0.62 -0.10 -0.07 0.10 0.00 0.00 179.97 180.59 2dnx h LEU 91 N 0.97 -0.24 -0.91 0.08 3.38 -0.28 0.66 115.31 118.97 2dnx h LEU 91 Ca 0.41 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.52 2dnx h LEU 91 Cb 0.31 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 2dnx h LEU 91 CO -0.17 -0.17 0.53 1.56 0.09 0.00 0.00 178.44 180.28 2dnx h GLN 92 N -0.28 0.78 -0.25 1.13 1.08 -0.52 -0.50 115.11 116.56 2dnx h GLN 92 Ca -0.03 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 2dnx h GLN 92 Cb 0.22 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2dnx h GLN 92 CO 0.04 0.52 -0.18 -0.22 -0.95 0.00 0.00 178.83 178.04 2dnx h LYS 93 N 0.80 0.55 -0.74 1.46 3.64 -0.69 -2.01 116.57 119.59 2dnx h LYS 93 Ca 0.47 -0.27 0.16 0.00 -1.27 0.00 0.00 60.65 59.75 2dnx h LYS 93 Cb 0.54 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 2dnx h LYS 93 CO -0.30 0.84 0.15 0.93 -2.27 0.00 0.00 179.45 178.80 2dnx h GLU 94 N 0.27 0.22 -0.44 1.90 4.39 0.19 0.21 114.58 121.31 2dnx h GLU 94 Ca 0.05 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2dnx h GLU 94 Cb 0.71 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2dnx h GLU 94 CO 0.05 0.15 -0.16 0.00 -1.16 0.00 0.00 179.01 177.88 2dnx h ARG 95 N 0.23 0.89 -0.47 2.33 2.47 -1.16 -2.42 114.38 116.24 2dnx h ARG 95 Ca 0.42 -0.37 0.08 0.00 -1.26 0.00 0.00 59.98 58.85 2dnx h ARG 95 Cb 0.73 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 2dnx h ARG 95 CO -0.54 1.01 0.11 -0.07 0.56 0.00 0.00 179.97 181.04 2dnx h LEU 96 N 0.72 0.04 -0.16 3.04 3.38 0.04 0.48 115.31 122.86 2dnx h LEU 96 Ca 0.10 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dnx h LEU 96 Cb 0.72 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2dnx h LEU 96 CO 0.06 0.05 0.07 0.24 0.09 0.00 0.00 178.44 178.95 2dnx h MET 97 N 0.25 0.15 0.92 1.13 2.86 -0.63 0.14 114.93 119.74 2dnx h MET 97 Ca 0.23 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2dnx h MET 97 Cb 0.29 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.92 2dnx h MET 97 CO -0.29 0.10 -0.47 -0.91 1.06 0.00 0.00 176.91 176.40 2dnx h ASN 98 N 0.15 -1.14 -0.51 1.22 2.35 -0.83 0.16 115.58 116.98 2dnx h ASN 98 Ca 0.06 0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 2dnx h ASN 98 Cb 0.02 0.31 -0.10 0.00 0.05 0.00 0.00 38.32 38.60 2dnx h ASN 98 CO -0.05 -0.78 -0.42 0.44 -1.65 0.00 0.00 177.43 174.97 2dnx h ASP 99 N -1.27 -1.43 -0.68 5.81 5.19 0.03 0.25 116.42 124.32 2dnx h ASP 99 Ca -0.12 0.23 0.12 0.00 -0.62 0.00 0.00 57.03 56.64 2dnx h ASP 99 Cb 0.99 0.65 -0.09 0.00 0.18 0.00 0.00 39.33 41.06 2dnx h ASP 99 CO 0.19 -0.34 0.24 0.15 -3.12 0.00 0.00 179.24 176.35 2dnx h PHE 100 N -0.26 0.40 0.42 4.55 3.57 -0.58 -1.31 116.94 123.73 2dnx h PHE 100 Ca 0.17 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2dnx h PHE 100 Cb 0.57 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2dnx h PHE 100 CO -0.67 0.05 -0.36 1.03 -2.23 0.00 0.00 178.31 176.13 2dnx h SER 101 N 0.39 -0.97 -1.08 0.41 0.87 0.24 0.73 113.55 114.14 2dnx h SER 101 Ca 0.36 0.08 0.30 0.00 -1.23 0.00 0.00 61.79 61.29 2dnx h SER 101 Cb 0.52 0.32 -0.11 0.00 -0.44 0.00 0.00 62.40 62.69 2dnx h SER 101 CO -0.38 -0.52 0.68 0.00 -0.53 0.00 0.00 176.83 176.07 2dnx h ALA 102 N -0.37 2.22 -0.00 6.23 0.00 0.03 1.40 119.26 128.76 2dnx h ALA 102 Ca -0.04 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2dnx h ALA 102 Cb 0.69 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dnx h ALA 102 CO -0.03 -0.69 -0.91 0.00 0.00 0.00 0.00 179.25 177.61 2dnx h ALA 103 N 1.65 0.42 0.68 0.00 0.00 -0.12 -3.03 119.26 118.86 2dnx h ALA 103 Ca 0.65 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2dnx h ALA 103 Cb 1.65 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.41 2dnx h ALA 103 CO -0.37 0.84 -0.33 1.25 0.00 0.00 0.00 179.25 180.65 2dnx h LEU 104 N 0.20 -0.77 -0.95 0.00 5.85 0.80 -2.73 115.31 117.71 2dnx h LEU 104 Ca -0.07 0.03 0.27 0.00 0.84 0.00 0.00 57.88 58.95 2dnx h LEU 104 Cb 1.54 0.20 -0.17 0.00 0.37 0.00 0.00 40.66 42.60 2dnx h LEU 104 CO 0.15 -0.46 0.10 -1.13 -0.34 0.00 0.00 178.44 176.76 2dnx h ASN 105 N -1.09 -0.33 -0.06 1.25 -0.73 -0.21 0.38 115.58 114.77 2dnx h ASN 105 Ca -0.09 0.26 0.02 0.00 1.87 0.00 0.00 56.30 58.36 2dnx h ASN 105 Cb 0.70 0.42 -0.06 0.00 0.27 0.00 0.00 38.32 39.65 2dnx h ASN 105 CO 0.15 -0.31 -0.51 0.78 -0.37 0.00 0.00 177.43 177.17 2dnx h ASN 106 N 0.05 -1.61 -0.64 1.15 4.21 -1.39 0.47 115.58 117.82 2dnx h ASN 106 Ca 0.59 0.19 0.13 0.00 1.21 0.00 0.00 56.30 58.42 2dnx h ASN 106 Cb 1.24 0.62 -0.10 0.00 -1.12 0.00 0.00 38.32 38.96 2dnx h ASN 106 CO -0.85 -0.48 0.10 0.15 -1.29 0.00 0.00 177.43 175.07 2dnx h PHE 107 N -0.60 0.14 0.68 1.19 3.57 -0.01 0.48 116.94 122.40 2dnx h PHE 107 Ca 0.02 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2dnx h PHE 107 Cb 0.66 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2dnx h PHE 107 CO -0.55 -0.09 -0.50 1.96 -2.23 0.00 0.00 178.31 176.91 2dnx h GLN 108 N 0.22 -1.08 -0.13 1.11 4.20 0.12 1.45 115.11 121.00 2dnx h GLN 108 Ca 0.34 0.07 0.04 0.00 0.06 0.00 0.00 58.65 59.16 2dnx h GLN 108 Cb 0.55 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2dnx h GLN 108 CO -0.47 -0.72 0.39 0.00 -0.67 0.00 0.00 178.83 177.36 2dnx h ALA 109 N -1.02 1.60 0.15 3.87 0.00 0.52 0.49 119.26 124.88 2dnx h ALA 109 Ca -0.09 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 2dnx h ALA 109 Cb 0.93 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2dnx h ALA 109 CO 0.04 -0.46 -1.79 0.28 0.00 0.00 0.00 179.25 177.32 2dnx h VAL 110 N 0.00 0.83 -0.88 0.00 2.07 0.99 -3.00 116.25 116.26 2dnx h VAL 110 Ca 0.06 -2.43 0.08 0.00 0.82 0.00 0.00 66.70 65.23 2dnx h VAL 110 Cb 0.84 2.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 2dnx h VAL 110 CO -0.00 0.84 0.57 0.06 0.02 0.00 0.00 177.57 179.06 2dnx h GLN 111 N 0.02 0.92 0.04 1.57 3.07 0.67 0.61 115.11 122.00 2dnx h GLN 111 Ca -0.37 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.31 2dnx h GLN 111 Cb 2.02 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 29.37 2dnx h GLN 111 CO 0.12 0.61 -0.02 -0.09 0.09 0.00 0.00 178.83 179.54 2dnx h ARG 112 N 0.94 -0.05 -0.89 0.06 1.12 -1.26 -2.28 114.38 112.02 2dnx h ARG 112 Ca 0.39 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.31 2dnx h ARG 112 Cb 0.28 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.19 2dnx h ARG 112 CO -0.15 0.52 0.57 0.00 -3.11 0.00 0.00 179.97 177.80 2dnx h ARG 113 N -0.66 1.03 0.12 0.20 3.08 -1.29 -0.19 114.38 116.68 2dnx h ARG 113 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2dnx h ARG 113 Cb 0.59 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2dnx h ARG 113 CO 0.01 0.68 -0.10 0.28 -1.07 0.00 0.00 179.97 179.77 2dnx h VAL 114 N 1.06 0.78 -0.21 2.04 2.07 0.19 -2.13 116.25 120.05 2dnx h VAL 114 Ca 0.37 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.94 2dnx h VAL 114 Cb 0.10 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2dnx h VAL 114 CO -0.15 0.00 -0.12 0.28 0.02 0.00 0.00 177.57 177.60 2dnx h SER 115 N -0.23 -0.39 -0.87 0.57 0.02 -0.78 -1.03 113.55 110.84 2dnx h SER 115 Ca -0.00 0.09 0.23 0.00 -0.84 0.00 0.00 61.79 61.26 2dnx h SER 115 Cb 0.21 0.21 -0.14 0.00 0.14 0.00 0.00 62.40 62.82 2dnx h SER 115 CO -0.01 -0.15 0.27 -0.08 -1.14 0.00 0.00 176.83 175.72 2dnx h GLU 116 N -0.10 0.25 0.27 3.45 4.81 -0.74 0.48 114.58 123.00 2dnx h GLU 116 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2dnx h GLU 116 Cb 0.27 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2dnx h GLU 116 CO -0.27 0.16 -0.16 -0.22 -0.73 0.00 0.00 179.01 177.79 2dnx h LYS 117 N 0.25 -0.40 0.00 1.92 1.63 -0.55 0.84 116.57 120.27 2dnx h LYS 117 Ca 0.55 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 2dnx h LYS 117 Cb 1.09 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2dnx h LYS 117 CO -0.62 -0.26 0.00 0.39 -3.45 0.00 0.00 179.45 175.51 2dnx n GLU 118 N -5.28 0.05 -0.06 1.90 -0.58 0.60 -1.17 120.64 116.09 2dnx n GLU 118 Ca -0.09 0.43 -0.11 0.00 -0.42 0.00 0.00 57.16 56.96 2dnx n GLU 118 Cb 0.20 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.72 0.67 0.22 3.49 5.02 0.14 -3.82 118.16 122.15 2dnx n LYS 119 Ca 0.01 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 2dnx n LYS 119 Cb 0.09 -1.65 0.45 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.01 0.00 0.22 1.97 5.08 0.21 -1.46 114.58 120.61 2dnx h GLU 120 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2dnx h GLU 120 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 2dnx h GLU 120 CO 0.05 0.25 -0.11 1.03 -1.00 0.00 0.00 179.01 179.23 2dnx h SER 121 N 0.00 -0.25 0.13 1.42 0.87 -1.54 -3.38 113.55 110.79 2dnx h SER 121 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dnx h SER 121 Cb 0.75 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2dnx h SER 121 CO 0.03 -0.00 -0.09 0.40 -0.53 0.00 0.00 176.83 176.64 2dnx h ILE 122 N -0.66 0.00 -1.22 2.23 2.04 -1.66 -3.49 117.51 114.75 2dnx h ILE 122 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2dnx h ILE 122 Cb 0.23 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 2dnx h ILE 122 CO 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.95 2dnx n ALA 123 N -2.27 -1.40 -0.68 1.87 0.00 -0.55 -4.44 120.51 113.05 2dnx n ALA 123 Ca -0.02 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 2dnx n ALA 123 Cb 0.09 -0.50 0.17 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.55 -1.59 0.00 0.00 1.74 -1.26 -3.56 116.66 109.43 2dnx n ARG 124 Ca -0.00 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 2dnx n ARG 124 Cb 0.25 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2dnx n ARG 124 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dnx n SER 125 N -1.47 0.00 0.00 0.55 7.64 -1.26 -4.89 113.62 114.18 2dnx n SER 125 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dnx n SER 125 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 126 N 0.00 1.77 3.03 0.23 0.00 -1.23 -1.36 105.19 107.62 2dnx n GLY 126 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2dnx n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnx n PRO 127 N 5.91 2.17 -3.10 1.61 -0.04 -1.26 -4.48 135.00 135.81 2dnx n PRO 127 Ca 0.00 -2.30 -0.17 0.00 -0.04 0.00 0.00 63.50 60.99 2dnx n PRO 127 Cb 0.00 -3.17 0.02 0.00 -0.04 0.00 0.00 33.50 30.31 2dnx n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dnx n SER 128 N 7.53 -6.94 -2.98 3.54 7.64 -1.23 -4.25 113.62 116.93 2dnx n SER 128 Ca 0.50 0.41 -0.00 0.00 1.01 0.00 0.00 58.87 60.79 2dnx n SER 128 Cb 0.41 -3.59 -0.00 0.00 -1.01 0.00 0.00 64.21 60.01 2dnx n SER 128 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dnx n SER 129 N 0.10 -6.88 0.00 6.43 3.41 -0.47 -5.12 113.62 111.09 2dnx n SER 129 Ca 0.01 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2dnx n SER 129 Cb 0.48 -3.18 0.00 0.00 -0.26 0.00 0.00 64.21 61.24 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49