#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 3.78 0.20 1.61 1.04 -1.26 -5.11 113.70 113.96 2dnx s SER 2 Ca 0.00 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 2dnx s SER 2 Cb 0.00 -1.58 -0.08 0.00 0.10 0.00 0.00 66.02 64.47 2dnx s SER 2 CO 0.00 0.12 0.68 -0.55 0.98 0.00 0.00 173.24 174.47 2dnx s SER 3 N 0.59 7.02 0.00 7.02 0.15 -1.26 -4.88 113.70 122.33 2dnx s SER 3 Ca -0.09 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2dnx s SER 3 Cb -0.16 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dnx s SER 3 CO 0.03 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2dnx n GLY 4 N 0.81 -0.29 1.55 9.45 0.00 -1.26 -5.10 105.19 110.35 2dnx n GLY 4 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnx n SER 5 N -0.13 -1.02 -3.39 1.61 2.88 -1.26 -5.07 113.62 107.24 2dnx n SER 5 Ca 0.00 0.26 -0.29 0.00 -1.33 0.00 0.00 58.87 57.51 2dnx n SER 5 Cb 0.00 1.24 0.03 0.00 -0.75 0.00 0.00 64.21 64.73 2dnx n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dnx n SER 6 N -2.68 -5.93 -0.23 -3.46 3.41 -1.26 -4.74 113.62 98.74 2dnx n SER 6 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2dnx n SER 6 Cb 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 64.21 61.97 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 0.11 -0.43 0.00 5.00 0.00 -1.26 -5.16 105.19 103.45 2dnx n GLY 7 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2dnx n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dnx n GLN 8 N 1.95 0.00 -1.25 1.61 1.13 -1.26 -5.12 117.38 114.43 2dnx n GLN 8 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2dnx n GLN 8 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.41 2dnx n GLN 8 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2dnx n LEU 9 N 0.00 -0.11 -3.31 1.08 7.99 -1.26 -4.68 117.00 116.71 2dnx n LEU 9 Ca 0.00 0.58 -0.27 0.00 -0.01 0.00 0.00 56.01 56.31 2dnx n LEU 9 Cb 0.00 -1.14 -0.03 0.00 -0.11 0.00 0.00 43.42 42.13 2dnx n LEU 9 CO 0.00 -3.48 2.09 0.54 -1.51 0.00 0.00 177.39 175.03 2dnx n ARG 10 N -0.23 1.56 -3.59 3.23 1.74 -1.26 -4.55 116.66 113.56 2dnx n ARG 10 Ca 0.09 -1.45 -0.22 0.00 -0.77 0.00 0.00 57.85 55.50 2dnx n ARG 10 Cb 0.50 -2.55 -0.01 0.00 -1.02 0.00 0.00 32.46 29.37 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 4.27 6.24 0.23 0.55 2.15 -1.26 -4.84 116.67 124.00 2dnx s ASP 11 Ca 0.42 0.23 -0.17 0.00 0.43 0.00 0.00 52.55 53.47 2dnx s ASP 11 Cb 0.11 -1.86 0.24 0.00 -0.30 0.00 0.00 42.92 41.11 2dnx s ASP 11 CO 0.04 -0.25 1.51 0.33 -0.17 0.00 0.00 175.17 176.63 2dnx n PHE 12 N -1.65 0.04 0.01 -5.34 -0.00 -1.26 0.61 117.46 109.86 2dnx n PHE 12 Ca -0.06 1.20 -0.00 0.00 -0.00 0.00 0.00 57.45 58.59 2dnx n PHE 12 Cb 0.57 -0.87 -0.00 0.00 -0.00 0.00 0.00 39.48 39.18 2dnx n PHE 12 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2dnx h SER 13 N 0.00 -0.02 -0.94 -2.13 0.02 -1.94 1.05 113.55 109.59 2dnx h SER 13 Ca 0.34 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.54 2dnx h SER 13 Cb 0.59 0.01 -0.18 0.00 0.14 0.00 0.00 62.40 62.96 2dnx h SER 13 CO -0.97 -0.01 -0.01 -1.20 -1.14 0.00 0.00 176.83 173.50 2dnx n SER 14 N -2.20 -0.13 0.15 3.07 7.64 -0.68 0.07 113.62 121.55 2dnx n SER 14 Ca -0.00 1.60 -0.06 0.00 1.01 0.00 0.00 58.87 61.42 2dnx n SER 14 Cb 0.01 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2dnx n SER 14 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2dnx h ILE 15 N 0.00 0.00 -0.42 0.44 2.04 0.46 -1.80 117.51 118.22 2dnx h ILE 15 Ca 0.56 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.38 2dnx h ILE 15 Cb 1.12 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2dnx h ILE 15 CO -0.89 0.00 -0.25 -0.38 0.00 0.00 0.00 178.15 176.63 2dnx n ILE 16 N -3.29 -0.29 -0.31 -0.67 5.41 0.36 0.11 119.36 120.68 2dnx n ILE 16 Ca -0.05 1.74 0.11 0.00 1.00 0.00 0.00 62.75 65.55 2dnx n ILE 16 Cb 0.16 -2.22 0.23 0.00 -0.71 0.00 0.00 39.64 37.09 2dnx n ILE 16 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2dnx h GLN 17 N 0.00 0.05 -0.78 0.38 4.20 -0.43 1.21 115.11 119.74 2dnx h GLN 17 Ca 0.07 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2dnx h GLN 17 Cb 0.17 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2dnx h GLN 17 CO -0.40 0.03 0.39 1.15 -0.67 0.00 0.00 178.83 179.34 2dnx h THR 18 N 0.05 1.24 0.07 -0.54 2.02 0.17 -0.43 112.91 115.50 2dnx h THR 18 Ca 0.52 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2dnx h THR 18 Cb 1.01 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2dnx h THR 18 CO -0.84 0.28 -0.03 0.00 0.37 0.00 0.00 175.52 175.30 2dnx h SER 20 N -0.26 -0.97 0.41 0.00 0.87 0.45 0.90 113.55 114.96 2dnx h SER 20 Ca -0.01 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2dnx h SER 20 Cb 0.22 0.43 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2dnx h SER 20 CO 0.02 -0.34 -0.49 1.23 -0.53 0.00 0.00 176.83 176.71 2dnx h GLY 21 N -0.35 -1.24 -0.65 5.77 0.00 -0.95 -2.18 103.07 103.47 2dnx h GLY 21 Ca 0.11 0.59 0.11 0.00 0.00 0.00 0.00 47.33 48.14 2dnx h GLY 21 CO -0.38 -0.35 -0.43 3.43 0.00 0.00 0.00 176.54 178.81 2dnx h ASN 22 N -0.92 -1.50 -0.59 0.19 2.35 -0.65 -0.03 115.58 114.43 2dnx h ASN 22 Ca -0.05 0.27 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2dnx h ASN 22 Cb 0.82 0.71 -0.08 0.00 0.05 0.00 0.00 38.32 39.83 2dnx h ASN 22 CO -0.10 -0.31 -0.40 0.40 -1.65 0.00 0.00 177.43 175.36 2dnx h ILE 23 N -0.14 0.00 -0.71 2.81 2.04 -0.47 0.12 117.51 121.16 2dnx h ILE 23 Ca 0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.15 2dnx h ILE 23 Cb 0.55 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 2dnx h ILE 23 CO -0.78 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 176.95 2dnx n GLN 24 N -4.56 -0.31 -0.15 2.37 6.02 -0.08 -0.36 117.38 120.31 2dnx n GLN 24 Ca 0.00 1.33 -0.08 0.00 -0.01 0.00 0.00 57.00 58.24 2dnx n GLN 24 Cb 0.19 -1.96 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 2dnx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dnx h ARG 25 N 0.00 -0.25 -0.80 -1.09 -0.00 -0.50 0.89 114.38 112.62 2dnx h ARG 25 Ca 0.11 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 59.77 2dnx h ARG 25 Cb 0.29 0.06 -0.15 0.00 0.00 0.00 0.00 29.97 30.17 2dnx h ARG 25 CO -0.67 -0.17 -0.22 0.82 0.00 0.00 0.00 179.97 179.73 2dnx h ILE 26 N -0.26 0.18 -0.12 2.04 2.04 0.18 1.43 117.51 123.00 2dnx h ILE 26 Ca 0.17 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.93 2dnx h ILE 26 Cb 0.57 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dnx h ILE 26 CO -0.61 0.00 -0.38 -1.28 0.00 0.00 0.00 178.15 175.89 2dnx h SER 27 N -0.01 0.25 0.31 1.72 0.87 0.12 -1.86 113.55 114.95 2dnx h SER 27 Ca 0.37 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2dnx h SER 27 Cb 0.59 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2dnx h SER 27 CO -0.83 0.61 -0.15 1.56 -0.53 0.00 0.00 176.83 177.50 2dnx h GLN 28 N 0.21 -0.40 -0.97 2.24 4.20 0.86 -1.67 115.11 119.58 2dnx h GLN 28 Ca 0.02 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.00 2dnx h GLN 28 Cb 0.76 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.51 2dnx h GLN 28 CO 0.06 -0.27 0.54 0.00 -0.67 0.00 0.00 178.83 178.49 2dnx h ALA 29 N -1.69 1.70 0.00 3.87 0.00 0.49 1.59 119.26 125.22 2dnx h ALA 29 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dnx h ALA 29 Cb 0.32 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dnx h ALA 29 CO 0.07 -0.31 -0.05 1.15 0.00 0.00 0.00 179.25 180.11 2dnx h THR 30 N 0.51 0.87 0.20 0.00 2.02 -1.28 -1.35 112.91 113.89 2dnx h THR 30 Ca 0.63 -0.19 -0.32 0.00 0.77 0.00 0.00 66.41 67.30 2dnx h THR 30 Cb 1.20 1.11 0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2dnx h THR 30 CO -0.50 0.05 -1.38 0.00 0.37 0.00 0.00 175.52 174.06 2dnx h ALA 31 N 1.95 -0.08 -0.83 6.16 0.00 0.32 -3.01 119.26 123.76 2dnx h ALA 31 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 54.91 54.09 2dnx h ALA 31 Cb 0.10 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2dnx h ALA 31 CO 0.01 0.74 0.55 1.96 0.00 0.00 0.00 179.25 182.51 2dnx h GLN 32 N 0.17 1.04 -0.24 0.00 4.20 0.06 0.63 115.11 120.97 2dnx h GLN 32 Ca -0.22 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 2dnx h GLN 32 Cb 2.07 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.61 2dnx h GLN 32 CO 0.26 0.69 0.03 0.82 -0.67 0.00 0.00 178.83 179.96 2dnx h ILE 33 N 1.07 1.23 -0.27 2.54 2.04 -1.34 1.40 117.51 124.19 2dnx h ILE 33 Ca 0.32 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2dnx h ILE 33 Cb -0.03 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2dnx h ILE 33 CO -0.09 0.24 -0.18 0.11 0.00 0.00 0.00 178.15 178.24 2dnx h LYS 34 N 0.19 0.48 -0.05 2.37 1.57 -1.23 0.76 116.57 120.66 2dnx h LYS 34 Ca 0.07 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2dnx h LYS 34 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2dnx h LYS 34 CO 0.01 0.64 -0.30 -0.91 -0.57 0.00 0.00 179.45 178.32 2dnx h ASN 35 N 0.43 0.34 0.88 0.86 2.35 0.60 -2.98 115.58 118.06 2dnx h ASN 35 Ca 0.07 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2dnx h ASN 35 Cb 0.56 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2dnx h ASN 35 CO 0.04 0.96 0.00 0.18 -1.65 0.00 0.00 177.43 176.96 2dnx n LEU 36 N -4.46 0.56 0.00 1.61 4.77 0.48 -3.66 117.00 116.30 2dnx n LEU 36 Ca -0.09 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2dnx n LEU 36 Cb 0.50 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2dnx n LEU 36 CO 0.41 -0.39 0.46 0.80 -1.33 0.00 0.00 177.39 177.33 2dnx n MET 37 N -2.08 0.00 -0.30 3.23 1.56 0.26 -2.63 117.12 117.16 2dnx n MET 37 Ca 0.03 0.50 0.12 0.00 -0.27 0.00 0.00 57.70 58.08 2dnx n MET 37 Cb 0.27 -1.45 0.26 0.00 2.15 0.00 0.00 33.22 34.45 2dnx n MET 37 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2dnx h SER 38 N 0.00 -0.16 -0.79 6.12 0.87 -1.63 0.20 113.55 118.16 2dnx h SER 38 Ca 0.00 0.21 0.13 0.00 -1.23 0.00 0.00 61.79 60.91 2dnx h SER 38 Cb 0.00 0.32 -0.14 0.00 -0.44 0.00 0.00 62.40 62.14 2dnx h SER 38 CO 0.00 -0.20 -0.34 1.56 -0.53 0.00 0.00 176.83 177.32 2dnx h GLN 39 N 0.14 -0.07 -0.94 2.24 4.20 -1.61 1.37 115.11 120.44 2dnx h GLN 39 Ca 0.53 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.44 2dnx h GLN 39 Cb 1.07 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.78 2dnx h GLN 39 CO -0.71 -0.05 0.60 -0.07 -0.67 0.00 0.00 178.83 177.94 2dnx h LEU 40 N -0.07 0.59 -4.21 1.46 3.38 -0.35 -1.27 115.31 114.84 2dnx h LEU 40 Ca 0.30 0.06 -0.31 0.00 0.09 0.00 0.00 57.88 58.03 2dnx h LEU 40 Cb 0.58 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 2dnx h LEU 40 CO -0.83 0.24 -0.04 0.61 0.09 0.00 0.00 178.44 178.51 2dnx n GLY 41 N -1.44 3.49 3.64 0.83 0.00 0.47 -4.74 105.19 107.45 2dnx n GLY 41 Ca 0.20 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.09 0.00 0.10 2.61 2.01 -0.48 -4.99 115.64 114.80 2dnx s THR 42 Ca 0.64 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2dnx s THR 42 Cb 0.34 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2dnx s THR 42 CO -0.08 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.14 2dnx n LYS 43 N 3.78 -0.91 0.00 4.92 4.01 -1.26 -4.54 118.16 124.16 2dnx n LYS 43 Ca -0.18 0.60 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 2dnx n LYS 43 Cb 0.58 -1.11 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 2dnx n LYS 43 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dnx n GLN 44 N -2.00 0.00 -2.40 1.97 1.13 -1.26 -4.97 117.38 109.85 2dnx n GLN 44 Ca 0.00 0.40 -0.01 0.00 -1.94 0.00 0.00 57.00 55.45 2dnx n GLN 44 Cb 0.21 -1.09 0.01 0.00 0.11 0.00 0.00 30.24 29.48 2dnx n GLN 44 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2dnx n ASP 45 N -1.12 -0.66 -3.46 1.08 5.68 -1.26 -5.07 116.55 111.74 2dnx n ASP 45 Ca 0.00 -1.33 0.01 0.00 -0.50 0.00 0.00 54.79 52.96 2dnx n ASP 45 Cb 0.00 1.06 -0.04 0.00 -1.14 0.00 0.00 41.12 41.00 2dnx n ASP 45 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2dnx s SER 46 N -1.96 -0.64 -0.11 -1.12 0.01 -1.26 -5.05 113.70 103.56 2dnx s SER 46 Ca 0.09 0.90 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 2dnx s SER 46 Cb -0.01 1.68 -0.28 0.00 0.21 0.00 0.00 66.02 67.62 2dnx s SER 46 CO 0.02 -0.13 0.78 -1.28 0.41 0.00 0.00 173.24 173.04 2dnx h SER 47 N 7.38 0.17 -0.70 2.44 0.87 -2.02 -3.28 113.55 118.40 2dnx h SER 47 Ca -0.18 -0.96 0.12 0.00 -1.23 0.00 0.00 61.79 59.54 2dnx h SER 47 Cb 1.12 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.90 2dnx h SER 47 CO 0.10 1.17 -0.35 0.11 -0.53 0.00 0.00 176.83 177.33 2dnx h LYS 48 N -0.77 -0.12 -0.00 2.24 6.56 -1.99 -0.39 116.57 122.10 2dnx h LYS 48 Ca -0.07 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2dnx h LYS 48 Cb 1.25 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2dnx h LYS 48 CO 0.04 -0.08 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.28 2dnx h LEU 49 N -0.12 -0.02 -0.86 2.94 4.07 -1.99 0.10 115.31 119.42 2dnx h LEU 49 Ca 0.26 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.41 2dnx h LEU 49 Cb 0.56 0.01 -0.16 0.00 1.08 0.00 0.00 40.66 42.15 2dnx h LEU 49 CO -0.77 -0.01 -0.18 0.00 -1.08 0.00 0.00 178.44 176.40 2dnx n GLN 50 N -2.72 -0.08 -0.12 1.13 1.13 -0.65 0.17 117.38 116.24 2dnx n GLN 50 Ca -0.00 1.34 -0.05 0.00 -1.94 0.00 0.00 57.00 56.35 2dnx n GLN 50 Cb 0.00 -2.02 0.02 0.00 0.11 0.00 0.00 30.24 28.35 2dnx n GLN 50 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2dnx h GLU 51 N 0.00 0.01 -0.13 -1.09 4.22 0.54 -1.36 114.58 116.78 2dnx h GLU 51 Ca 0.43 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.91 2dnx h GLU 51 Cb 0.69 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2dnx h GLU 51 CO -0.88 0.01 -0.13 -0.97 -2.18 0.00 0.00 179.01 174.86 2dnx h ASN 52 N 0.01 -0.41 -0.51 1.04 -0.73 0.35 -1.25 115.58 114.08 2dnx h ASN 52 Ca 0.19 0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.49 2dnx h ASN 52 Cb 0.29 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 39.01 2dnx h ASN 52 CO -0.40 -0.17 -0.37 -0.07 -0.37 0.00 0.00 177.43 176.05 2dnx h LEU 53 N -0.16 -1.32 -0.01 0.34 3.38 -0.07 0.59 115.31 118.06 2dnx h LEU 53 Ca 0.09 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dnx h LEU 53 Cb 0.29 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2dnx h LEU 53 CO -0.22 -0.18 -0.10 1.56 0.09 0.00 0.00 178.44 179.58 2dnx h GLN 54 N -0.08 -0.11 -0.92 1.13 4.20 -1.05 0.33 115.11 118.60 2dnx h GLN 54 Ca 0.08 0.01 0.32 0.00 0.06 0.00 0.00 58.65 59.12 2dnx h GLN 54 Cb 0.30 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 27.94 2dnx h GLN 54 CO -0.53 -0.07 0.24 0.94 -0.67 0.00 0.00 178.83 178.74 2dnx n GLN 55 N -3.06 -0.06 0.08 1.46 0.00 -0.50 0.17 117.38 115.46 2dnx n GLN 55 Ca -0.01 1.32 -0.13 0.00 -0.00 0.00 0.00 57.00 58.18 2dnx n GLN 55 Cb 0.07 -2.23 -0.08 0.00 0.00 0.00 0.00 30.24 28.00 2dnx n GLN 55 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2dnx h LEU 56 N 0.00 -0.14 0.28 1.69 3.38 0.16 -1.05 115.31 119.63 2dnx h LEU 56 Ca 0.66 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2dnx h LEU 56 Cb 1.58 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 2dnx h LEU 56 CO -0.79 0.07 -0.52 1.56 0.09 0.00 0.00 178.44 178.85 2dnx h GLN 57 N -0.35 -0.83 -0.44 1.13 4.20 0.55 -1.82 115.11 117.55 2dnx h GLN 57 Ca -0.02 0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2dnx h GLN 57 Cb 0.28 0.19 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 2dnx h GLN 57 CO 0.03 -0.55 -0.41 1.25 -0.67 0.00 0.00 178.83 178.48 2dnx h HIS 58 N -0.86 -1.18 -0.93 2.96 2.76 -0.68 0.64 115.15 117.86 2dnx h HIS 58 Ca -0.03 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.29 2dnx h HIS 58 Cb 0.81 0.58 -0.11 0.00 1.55 0.00 0.00 27.41 30.24 2dnx h HIS 58 CO -0.38 -0.43 -0.56 0.77 -1.30 0.00 0.00 177.93 176.04 2dnx h SER 59 N -0.29 -2.04 -0.94 3.26 0.02 -0.75 0.65 113.55 113.45 2dnx h SER 59 Ca 0.16 0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2dnx h SER 59 Cb 0.57 0.90 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 2dnx h SER 59 CO -0.59 -0.22 0.58 0.74 -1.14 0.00 0.00 176.83 176.19 2dnx h THR 60 N -0.01 1.26 -0.24 -2.27 2.02 -0.40 -2.27 112.91 111.00 2dnx h THR 60 Ca 0.15 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.82 2dnx h THR 60 Cb 0.39 -0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.65 2dnx h THR 60 CO -0.88 0.27 -0.53 -1.13 0.37 0.00 0.00 175.52 173.62 2dnx h ASN 61 N 1.30 -1.71 0.39 4.18 -0.73 0.59 0.23 115.58 119.82 2dnx h ASN 61 Ca 0.34 0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.72 2dnx h ASN 61 Cb -0.07 0.68 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 2dnx h ASN 61 CO -0.07 -0.43 -0.52 1.56 -0.37 0.00 0.00 177.43 177.60 2dnx h GLN 62 N -0.48 -0.91 -0.94 6.67 1.08 -0.66 -1.92 115.11 117.95 2dnx h GLN 62 Ca 0.05 0.06 0.15 0.00 -1.45 0.00 0.00 58.65 57.46 2dnx h GLN 62 Cb 0.62 0.21 -0.16 0.00 -0.05 0.00 0.00 27.48 28.10 2dnx h GLN 62 CO -0.48 -0.60 -0.34 1.28 -0.95 0.00 0.00 178.83 177.73 2dnx n LEU 63 N -5.53 -0.55 -0.03 1.46 4.77 -0.87 0.75 117.00 116.98 2dnx n LEU 63 Ca -0.11 1.64 -0.12 0.00 -0.03 0.00 0.00 56.01 57.39 2dnx n LEU 63 Cb 0.45 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2dnx n LEU 63 CO 0.23 -1.49 0.58 0.00 -1.33 0.00 0.00 177.39 175.39 2dnx h ALA 64 N 1.42 -0.54 -0.93 -1.18 0.00 0.05 1.32 119.26 119.40 2dnx h ALA 64 Ca 0.35 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.54 2dnx h ALA 64 Cb 0.59 0.81 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 2dnx h ALA 64 CO -0.94 -0.90 0.34 0.87 0.00 0.00 0.00 179.25 178.61 2dnx h LYS 65 N -0.44 0.22 -0.00 0.00 1.57 0.11 0.38 116.57 118.40 2dnx h LYS 65 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dnx h LYS 65 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dnx h LYS 65 CO -0.44 0.15 -0.01 0.93 -0.57 0.00 0.00 179.45 179.50 2dnx h GLU 66 N 0.23 0.02 -0.40 3.15 4.39 0.83 -1.67 114.58 121.13 2dnx h GLU 66 Ca 0.62 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.39 2dnx h GLU 66 Cb 1.33 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 2dnx h GLU 66 CO -0.66 0.62 -0.36 1.15 -1.16 0.00 0.00 179.01 178.60 2dnx h THR 67 N -0.58 0.19 -0.02 1.13 2.02 0.46 1.47 112.91 117.58 2dnx h THR 67 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2dnx h THR 67 Cb 0.62 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2dnx h THR 67 CO 0.00 0.00 -0.02 -1.13 0.37 0.00 0.00 175.52 174.75 2dnx h ASN 68 N -0.28 -0.05 -0.87 4.18 -0.73 -0.49 0.52 115.58 117.86 2dnx h ASN 68 Ca 0.16 0.01 0.10 0.00 1.87 0.00 0.00 56.30 58.44 2dnx h ASN 68 Cb 0.56 0.03 -0.08 0.00 0.27 0.00 0.00 38.32 39.10 2dnx h ASN 68 CO -0.55 -0.02 0.51 -0.33 -0.37 0.00 0.00 177.43 176.66 2dnx h GLU 69 N -0.02 0.81 0.16 6.67 4.39 -0.18 -0.74 114.58 125.67 2dnx h GLU 69 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2dnx h GLU 69 Cb 0.04 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2dnx h GLU 69 CO -0.03 0.54 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.21 2dnx h LEU 70 N 0.84 -0.19 -1.66 1.33 3.38 0.27 -1.74 115.31 117.53 2dnx h LEU 70 Ca 0.42 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2dnx h LEU 70 Cb 0.40 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dnx h LEU 70 CO -0.25 0.18 0.54 -0.07 0.09 0.00 0.00 178.44 178.92 2dnx h LEU 71 N -0.57 0.00 0.02 1.67 3.38 0.71 0.53 115.31 121.04 2dnx h LEU 71 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2dnx h LEU 71 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dnx h LEU 71 CO 0.04 0.00 -0.21 0.11 0.09 0.00 0.00 178.44 178.47 2dnx h LYS 72 N 0.00 0.05 0.00 1.13 1.57 -0.60 -3.28 116.57 115.44 2dnx h LYS 72 Ca 0.11 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2dnx h LYS 72 Cb 1.19 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2dnx h LYS 72 CO -0.00 1.04 -0.15 1.05 -0.57 0.00 0.00 179.45 180.82 2dnx h GLU 73 N -0.90 0.00 0.00 3.15 4.11 0.66 -2.28 114.58 119.32 2dnx h GLU 73 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2dnx h GLU 73 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2dnx h GLU 73 CO 0.01 0.15 0.00 -0.11 0.07 0.00 0.00 179.01 179.13 2dnx n LEU 74 N -4.23 0.00 -0.06 3.06 0.00 0.14 -1.68 117.00 114.22 2dnx n LEU 74 Ca -0.02 0.99 0.23 0.00 0.00 0.00 0.00 56.01 57.21 2dnx n LEU 74 Cb 0.22 -0.49 0.70 0.00 0.00 0.00 0.00 43.42 43.85 2dnx n LEU 74 CO 0.35 -0.49 1.21 1.23 0.00 0.00 0.00 177.39 179.69 2dnx h GLY 75 N 0.00 0.01 0.90 -3.96 0.00 -1.60 0.19 103.07 98.61 2dnx h GLY 75 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2dnx h GLY 75 CO 0.00 0.00 0.58 1.76 0.00 0.00 0.00 176.54 178.88 2dnx h SER 76 N 0.01 0.90 -3.01 0.19 0.02 -0.80 -3.43 113.55 107.43 2dnx h SER 76 Ca 0.31 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.71 2dnx h SER 76 Cb 1.25 -0.19 0.20 0.00 0.14 0.00 0.00 62.40 63.80 2dnx h SER 76 CO -0.01 0.58 -0.72 0.18 -1.14 0.00 0.00 176.83 175.72 2dnx n LEU 77 N -4.48 -0.84 0.00 5.07 4.77 0.67 -4.98 117.00 117.21 2dnx n LEU 77 Ca 0.13 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2dnx n LEU 77 Cb 0.18 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2dnx n LEU 77 CO 0.33 -3.83 0.00 -0.81 -1.33 0.00 0.00 177.39 171.75 2dnx n PRO 78 N -0.39 -0.01 -4.19 3.23 -0.04 -1.26 -5.05 135.00 127.30 2dnx n PRO 78 Ca 0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2dnx n PRO 78 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 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 2.27 0.82 1.53 1.43 -1.26 -5.09 118.68 118.38 2dnx s LEU 79 Ca 0.00 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2dnx s LEU 79 Cb 0.00 -0.52 0.08 0.00 0.03 0.00 0.00 46.19 45.78 2dnx s LEU 79 CO 0.00 -0.07 1.11 -2.16 0.23 0.00 0.00 176.35 175.46 2dnx s PRO 80 N -1.69 1.89 0.31 1.29 0.04 -1.26 -4.96 135.00 130.62 2dnx s PRO 80 Ca -0.02 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.65 2dnx s PRO 80 Cb -0.10 -1.90 0.50 0.00 0.04 0.00 0.00 34.50 33.03 2dnx s PRO 80 CO 0.02 -1.74 1.73 -0.07 0.04 0.00 0.00 177.00 176.98 2dnx h LEU 81 N -1.17 0.25 -9.63 -3.56 -0.00 -2.01 -3.43 115.31 95.76 2dnx h LEU 81 Ca -0.48 -0.10 -0.52 0.00 -0.00 0.00 0.00 57.88 56.78 2dnx h LEU 81 Cb 1.28 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.85 2dnx h LEU 81 CO 0.60 0.61 0.26 -0.44 -0.00 0.00 0.00 178.44 179.46 2dnx s SER 82 N -6.88 7.42 0.10 -0.43 0.01 -1.26 -4.96 113.70 107.71 2dnx s SER 82 Ca -0.05 1.69 -0.09 0.00 1.31 0.00 0.00 55.95 58.81 2dnx s SER 82 Cb 0.14 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.67 2dnx s SER 82 CO 0.77 0.07 1.25 0.74 0.41 0.00 0.00 173.24 176.48 2dnx h THR 83 N 3.71 1.34 -1.05 1.44 2.02 -1.99 -2.68 112.91 115.70 2dnx h THR 83 Ca -0.45 -2.34 0.29 0.00 0.77 0.00 0.00 66.41 64.69 2dnx h THR 83 Cb 1.21 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 69.94 2dnx h THR 83 CO 0.69 0.71 0.73 0.28 0.37 0.00 0.00 175.52 178.30 2dnx h SER 84 N 0.32 0.17 0.55 4.18 0.02 -1.97 0.57 113.55 117.39 2dnx h SER 84 Ca -0.10 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.59 2dnx h SER 84 Cb 1.63 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.13 2dnx h SER 84 CO 0.18 0.04 -1.59 -0.33 -1.14 0.00 0.00 176.83 173.99 2dnx h GLU 85 N 0.15 0.04 0.01 3.45 4.39 -1.94 -3.26 114.58 117.42 2dnx h GLU 85 Ca 0.53 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.16 2dnx h GLU 85 Cb 1.82 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.50 2dnx h GLU 85 CO -0.11 0.69 -0.01 1.96 -1.16 0.00 0.00 179.01 180.37 2dnx h GLN 86 N 0.01 -0.02 -0.62 2.33 4.20 0.49 0.14 115.11 121.64 2dnx h GLN 86 Ca -0.25 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.59 2dnx h GLN 86 Cb 1.97 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.67 2dnx h GLN 86 CO 0.10 -0.01 0.13 0.07 -0.67 0.00 0.00 178.83 178.44 2dnx h ARG 87 N -0.02 0.25 -0.85 1.46 0.11 -1.60 0.37 114.38 114.10 2dnx h ARG 87 Ca -0.00 -0.01 0.22 0.00 0.10 0.00 0.00 59.98 60.28 2dnx h ARG 87 Cb 0.02 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 31.00 2dnx h ARG 87 CO -0.00 0.16 0.59 1.96 0.10 0.00 0.00 179.97 182.77 2dnx h GLN 88 N 0.25 0.18 0.14 0.08 1.08 -1.53 0.87 115.11 116.18 2dnx h GLN 88 Ca 0.33 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 2dnx h GLN 88 Cb 0.50 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2dnx h GLN 88 CO -0.42 0.12 -0.06 1.96 -0.95 0.00 0.00 178.83 179.47 2dnx h GLN 89 N 0.19 -0.18 -0.89 1.46 4.20 0.26 -2.00 115.11 118.15 2dnx h GLN 89 Ca 0.42 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.32 2dnx h GLN 89 Cb 1.37 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.12 2dnx h GLN 89 CO -0.08 -0.12 0.58 0.07 -0.67 0.00 0.00 178.83 178.61 2dnx h ARG 90 N -0.34 0.54 -0.40 1.46 0.11 -0.98 0.12 114.38 114.90 2dnx h ARG 90 Ca -0.02 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2dnx h ARG 90 Cb 0.14 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.08 2dnx h ARG 90 CO 0.03 0.36 0.26 -0.07 0.10 0.00 0.00 179.97 180.65 2dnx h LEU 91 N 0.56 0.46 -0.48 0.08 3.38 0.70 0.45 115.31 120.45 2dnx h LEU 91 Ca 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2dnx h LEU 91 Cb 0.93 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2dnx h LEU 91 CO -0.20 0.33 0.32 1.56 0.09 0.00 0.00 178.44 180.54 2dnx h GLN 92 N 0.54 0.64 0.09 1.13 1.08 -0.01 -2.32 115.11 116.27 2dnx h GLN 92 Ca 0.15 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2dnx h GLN 92 Cb -0.06 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2dnx h GLN 92 CO -0.03 0.42 -0.04 -0.22 -0.95 0.00 0.00 178.83 178.01 2dnx h LYS 93 N 0.66 -0.12 -0.84 1.46 3.64 -0.78 -1.44 116.57 119.15 2dnx h LYS 93 Ca 0.18 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 2dnx h LYS 93 Cb -0.07 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.65 2dnx h LYS 93 CO -0.04 0.05 -0.48 0.93 -2.27 0.00 0.00 179.45 177.64 2dnx h GLU 94 N -0.27 -0.09 -0.22 1.90 4.39 0.17 0.37 114.58 120.83 2dnx h GLU 94 Ca -0.01 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2dnx h GLU 94 Cb 0.22 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2dnx h GLU 94 CO 0.02 -0.06 0.07 0.00 -1.16 0.00 0.00 179.01 177.88 2dnx h ARG 95 N -0.09 0.17 -0.70 2.33 -0.00 -1.32 -1.95 114.38 112.82 2dnx h ARG 95 Ca 0.22 -0.01 0.15 0.00 -0.50 0.00 0.00 59.98 59.84 2dnx h ARG 95 Cb 0.53 -0.04 -0.12 0.00 0.00 0.00 0.00 29.97 30.34 2dnx h ARG 95 CO -0.86 0.11 0.05 -0.07 0.00 0.00 0.00 179.97 179.20 2dnx h LEU 96 N 0.17 -0.22 -0.13 3.04 3.38 0.54 1.14 115.31 123.23 2dnx h LEU 96 Ca 0.10 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2dnx h LEU 96 Cb 0.07 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2dnx h LEU 96 CO -0.11 -0.12 -0.05 0.24 0.09 0.00 0.00 178.44 178.49 2dnx h MET 97 N 0.15 -0.04 0.75 1.13 2.86 0.26 0.12 114.93 120.17 2dnx h MET 97 Ca 0.38 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.99 2dnx h MET 97 Cb 0.65 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.32 2dnx h MET 97 CO -0.57 -0.02 -0.36 -0.91 1.06 0.00 0.00 176.91 176.10 2dnx h ASN 98 N -0.04 -0.85 -0.99 1.22 2.35 -0.27 -1.52 115.58 115.49 2dnx h ASN 98 Ca 0.07 0.03 0.13 0.00 -0.55 0.00 0.00 56.30 55.98 2dnx h ASN 98 Cb 0.14 0.22 -0.14 0.00 0.05 0.00 0.00 38.32 38.59 2dnx h ASN 98 CO -0.16 -0.50 -0.47 0.44 -1.65 0.00 0.00 177.43 175.10 2dnx h ASP 99 N -1.21 -1.72 -0.15 5.81 5.19 0.13 0.28 116.42 124.75 2dnx h ASP 99 Ca -0.10 0.32 0.05 0.00 -0.62 0.00 0.00 57.03 56.67 2dnx h ASP 99 Cb 0.77 0.83 -0.07 0.00 0.18 0.00 0.00 39.33 41.05 2dnx h ASP 99 CO 0.17 -0.27 -0.33 0.15 -3.12 0.00 0.00 179.24 175.84 2dnx h PHE 100 N -0.01 -0.91 0.00 4.55 3.57 -0.72 -2.41 116.94 121.02 2dnx h PHE 100 Ca 0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2dnx h PHE 100 Cb 0.53 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2dnx h PHE 100 CO -0.93 -0.40 0.00 0.45 -2.23 0.00 0.00 178.31 175.20 2dnx n SER 101 N -5.41 0.00 -0.24 0.41 2.88 0.85 0.26 113.62 112.37 2dnx n SER 101 Ca -0.03 1.00 0.22 0.00 -1.33 0.00 0.00 58.87 58.73 2dnx n SER 101 Cb 0.33 -0.50 0.41 0.00 -0.75 0.00 0.00 64.21 63.70 2dnx n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dnx n ALA 102 N -2.75 0.72 -0.02 -1.46 0.00 -0.42 0.29 120.51 116.88 2dnx n ALA 102 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 2dnx n ALA 102 Cb 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 2dnx n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dnx h ALA 103 N 1.50 -0.07 0.20 0.00 0.00 0.11 -2.81 119.26 118.19 2dnx h ALA 103 Ca 0.61 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2dnx h ALA 103 Cb 1.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2dnx h ALA 103 CO -0.59 -0.13 -0.25 1.25 0.00 0.00 0.00 179.25 179.53 2dnx h LEU 104 N -0.89 -0.69 -0.87 0.00 7.12 1.50 -1.47 115.31 120.02 2dnx h LEU 104 Ca -0.01 0.07 0.22 0.00 0.13 0.00 0.00 57.88 58.30 2dnx h LEU 104 Cb 0.65 0.25 -0.13 0.00 -0.53 0.00 0.00 40.66 40.89 2dnx h LEU 104 CO 0.01 -0.36 0.27 -1.13 -0.13 0.00 0.00 178.44 177.10 2dnx h ASN 105 N -0.51 0.08 0.03 1.25 -0.73 0.43 0.23 115.58 116.36 2dnx h ASN 105 Ca 0.01 0.18 0.03 0.00 1.87 0.00 0.00 56.30 58.39 2dnx h ASN 105 Cb 0.49 0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.26 2dnx h ASN 105 CO -0.09 -0.11 -0.36 -1.13 -0.37 0.00 0.00 177.43 175.37 2dnx h ASN 106 N 0.26 -1.07 -0.74 1.15 -0.73 -1.01 0.18 115.58 113.61 2dnx h ASN 106 Ca 0.54 0.13 0.10 0.00 1.87 0.00 0.00 56.30 58.94 2dnx h ASN 106 Cb 1.06 0.42 -0.05 0.00 0.27 0.00 0.00 38.32 40.02 2dnx h ASN 106 CO -0.61 -0.42 0.49 0.15 -0.37 0.00 0.00 177.43 176.67 2dnx h PHE 107 N -0.53 0.67 0.69 0.67 3.57 -0.07 -0.73 116.94 121.20 2dnx h PHE 107 Ca 0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2dnx h PHE 107 Cb 0.60 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.14 2dnx h PHE 107 CO -0.36 0.31 -0.33 1.96 -2.23 0.00 0.00 178.31 177.66 2dnx h GLN 108 N 0.62 -0.90 -0.08 1.11 1.08 0.87 0.74 115.11 118.55 2dnx h GLN 108 Ca 0.34 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.63 2dnx h GLN 108 Cb 0.51 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2dnx h GLN 108 CO -0.12 -0.57 0.20 0.00 -0.95 0.00 0.00 178.83 177.39 2dnx h ALA 109 N -0.90 1.44 0.00 3.87 0.00 -0.26 0.69 119.26 124.10 2dnx h ALA 109 Ca -0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2dnx h ALA 109 Cb 0.74 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2dnx h ALA 109 CO 0.16 -0.24 -1.38 0.28 0.00 0.00 0.00 179.25 178.07 2dnx h VAL 110 N 0.00 0.92 -0.11 0.00 2.07 -0.52 -2.65 116.25 115.95 2dnx h VAL 110 Ca 0.04 -2.60 -0.16 0.00 0.82 0.00 0.00 66.70 64.80 2dnx h VAL 110 Cb 0.44 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2dnx h VAL 110 CO -0.00 0.52 -0.63 0.06 0.02 0.00 0.00 177.57 177.54 2dnx h GLN 111 N 0.00 0.40 0.01 1.57 3.07 0.65 -0.67 115.11 120.14 2dnx h GLN 111 Ca -0.17 -0.28 -0.22 0.00 0.09 0.00 0.00 58.65 58.06 2dnx h GLN 111 Cb 1.79 0.05 -0.03 0.00 0.08 0.00 0.00 27.48 29.36 2dnx h GLN 111 CO 0.08 0.90 -1.11 0.07 0.09 0.00 0.00 178.83 178.86 2dnx h ARG 112 N 0.29 0.01 0.00 0.06 -0.00 -1.13 -2.80 114.38 110.82 2dnx h ARG 112 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2dnx h ARG 112 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2dnx h ARG 112 CO 0.11 0.94 0.00 0.00 -0.00 0.00 0.00 179.97 181.02 2dnx h ARG 113 N 0.00 0.00 0.00 0.08 3.08 -1.39 -3.11 114.38 113.04 2dnx h ARG 113 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2dnx h ARG 113 Cb 1.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 2dnx h ARG 113 CO 0.13 0.00 -0.13 0.28 -1.07 0.00 0.00 179.97 179.18 2dnx h VAL 114 N 0.00 1.25 -0.74 2.04 2.07 -1.11 -3.19 116.25 116.56 2dnx h VAL 114 Ca 0.00 -1.98 0.17 0.00 0.82 0.00 0.00 66.70 65.71 2dnx h VAL 114 Cb 0.89 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.94 2dnx h VAL 114 CO 0.00 0.42 0.09 0.28 0.02 0.00 0.00 177.57 178.39 2dnx h SER 115 N -1.00 -0.16 0.02 0.57 0.02 -1.56 -0.10 113.55 111.33 2dnx h SER 115 Ca -0.03 0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2dnx h SER 115 Cb 0.78 0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 2dnx h SER 115 CO -0.02 -0.11 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.16 2dnx h GLU 116 N 0.18 -0.46 -0.99 3.45 4.22 -1.66 0.60 114.58 119.92 2dnx h GLU 116 Ca 0.41 0.03 0.26 0.00 0.08 0.00 0.00 59.36 60.14 2dnx h GLU 116 Cb 0.73 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 2dnx h GLU 116 CO -0.58 -0.30 0.57 0.87 -2.18 0.00 0.00 179.01 177.38 2dnx h LYS 117 N -0.47 0.51 0.00 1.92 1.79 -1.04 1.54 116.57 120.82 2dnx h LYS 117 Ca 0.06 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2dnx h LYS 117 Cb 0.55 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2dnx h LYS 117 CO -0.25 0.34 -0.48 0.93 -1.08 0.00 0.00 179.45 178.91 2dnx h GLU 118 N 0.53 0.00 0.00 3.15 4.39 -0.13 -2.48 114.58 120.04 2dnx h GLU 118 Ca 0.65 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.30 2dnx h GLU 118 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2dnx h GLU 118 CO -0.50 0.48 -0.24 0.87 -1.16 0.00 0.00 179.01 178.46 2dnx h LYS 119 N 0.00 0.00 0.16 2.33 1.57 0.75 -2.70 116.57 118.68 2dnx h LYS 119 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2dnx h LYS 119 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.47 2dnx h LYS 119 CO 0.06 0.24 -1.52 0.93 -0.57 0.00 0.00 179.45 178.59 2dnx h GLU 120 N 0.00 0.34 0.76 3.15 5.08 -0.24 -2.73 114.58 120.94 2dnx h GLU 120 Ca -0.00 -0.58 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 2dnx h GLU 120 Cb 0.91 0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.38 2dnx h GLU 120 CO 0.03 1.24 -0.36 1.03 -1.00 0.00 0.00 179.01 179.95 2dnx h SER 121 N 0.09 -0.86 0.02 1.42 0.87 -1.36 -2.12 113.55 111.61 2dnx h SER 121 Ca -0.25 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2dnx h SER 121 Cb 2.06 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 64.24 2dnx h SER 121 CO 0.20 -0.57 -0.02 0.40 -0.53 0.00 0.00 176.83 176.31 2dnx h ILE 122 N -1.09 1.01 0.00 2.23 2.04 -1.64 -3.33 117.51 116.73 2dnx h ILE 122 Ca -0.10 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2dnx h ILE 122 Cb 0.80 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2dnx h ILE 122 CO 0.17 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2dnx n ALA 123 N -2.53 0.00 0.04 1.87 0.00 -0.94 -4.99 120.51 113.96 2dnx n ALA 123 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2dnx n ALA 123 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.00 -2.37 0.00 1.74 -0.84 -5.07 116.66 110.12 2dnx n ARG 124 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2dnx n ARG 124 Cb 0.00 -0.11 -0.01 0.00 -1.02 0.00 0.00 32.46 31.32 2dnx n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2dnx n SER 125 N -2.93 -7.44 0.00 0.55 3.41 -1.17 -4.80 113.62 101.24 2dnx n SER 125 Ca 0.00 1.72 0.00 0.00 -0.26 0.00 0.00 58.87 60.33 2dnx n SER 125 Cb 0.00 -4.81 0.00 0.00 -0.26 0.00 0.00 64.21 59.14 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnx n GLY 126 N 1.87 0.60 3.77 5.00 0.00 -1.26 -4.83 105.19 110.34 2dnx n GLY 126 Ca -0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 -0.38 -0.43 1.61 0.04 -1.26 -5.07 135.00 129.51 2dnx s PRO 127 Ca 0.00 -0.29 -0.00 0.00 0.04 0.00 0.00 61.00 60.75 2dnx s PRO 127 Cb 0.00 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 33.03 2dnx s PRO 127 CO 0.00 -3.11 0.93 0.45 0.04 0.00 0.00 177.00 175.30 2dnx s SER 128 N -4.44 -0.83 -0.80 6.66 0.15 -1.26 -5.02 113.70 108.16 2dnx s SER 128 Ca 0.73 -0.99 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 2dnx s SER 128 Cb -0.06 1.09 0.21 0.00 -1.71 0.00 0.00 66.02 65.55 2dnx s SER 128 CO 0.55 -0.03 0.70 -0.55 1.20 0.00 0.00 173.24 175.11 2dnx s SER 129 N 0.93 6.25 0.00 5.45 0.15 -1.26 -5.23 113.70 119.99 2dnx s SER 129 Ca 0.27 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 53.95 2dnx s SER 129 Cb 0.07 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2dnx s SER 129 CO -0.08 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.54