#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 -6.53 -0.06 1.61 2.88 -1.26 -4.93 113.62 105.33 2dnx n SER 2 Ca 0.00 1.16 -0.10 0.00 -1.33 0.00 0.00 58.87 58.61 2dnx n SER 2 Cb 0.00 -4.06 -0.03 0.00 -0.75 0.00 0.00 64.21 59.37 2dnx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dnx n SER 3 N -3.94 1.68 0.00 -3.46 7.64 -1.26 -5.14 113.62 109.15 2dnx n SER 3 Ca -0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2dnx n SER 3 Cb 0.56 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2dnx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 4 N 1.93 3.01 3.64 0.23 0.00 -1.26 -5.15 105.19 107.59 2dnx n GLY 4 Ca -0.16 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnx s SER 5 N 0.00 4.81 -0.26 1.61 1.04 -1.26 -5.10 113.70 114.53 2dnx s SER 5 Ca 0.00 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.27 2dnx s SER 5 Cb 0.00 -1.11 0.06 0.00 0.10 0.00 0.00 66.02 65.06 2dnx s SER 5 CO 0.00 0.22 -0.10 -0.55 0.98 0.00 0.00 173.24 173.79 2dnx s SER 6 N -1.94 4.48 0.00 7.02 0.15 -1.26 -5.03 113.70 117.12 2dnx s SER 6 Ca 0.22 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2dnx s SER 6 Cb -0.11 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2dnx s SER 6 CO 0.13 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dnx n GLY 7 N 4.44 0.41 2.37 9.45 0.00 -1.26 -5.13 105.19 115.48 2dnx n GLY 7 Ca -0.14 -2.29 -0.01 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 -4.88 -1.85 1.61 1.13 -1.26 -4.81 117.38 107.33 2dnx n GLN 8 Ca 0.00 3.54 -0.37 0.00 -1.94 0.00 0.00 57.00 58.23 2dnx n GLN 8 Cb 0.00 -4.54 0.04 0.00 0.11 0.00 0.00 30.24 25.86 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dnx s LEU 9 N -0.57 3.76 -0.58 1.08 1.43 -1.26 -3.72 118.68 118.81 2dnx s LEU 9 Ca -0.03 2.63 -0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2dnx s LEU 9 Cb 0.00 -4.42 0.03 0.00 0.03 0.00 0.00 46.19 41.84 2dnx s LEU 9 CO 0.08 -1.64 0.64 0.54 0.23 0.00 0.00 176.35 176.20 2dnx n ARG 10 N -1.31 -1.82 -3.36 1.70 1.74 -1.26 -4.93 116.66 107.42 2dnx n ARG 10 Ca 0.12 1.30 -0.33 0.00 -0.77 0.00 0.00 57.85 58.17 2dnx n ARG 10 Cb 0.47 -2.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.11 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 -2.16 6.70 0.10 0.55 2.15 -1.24 -4.85 116.67 117.92 2dnx s ASP 11 Ca 0.23 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 54.03 2dnx s ASP 11 Cb -0.03 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 2dnx s ASP 11 CO 0.86 -0.05 1.06 0.33 -0.17 0.00 0.00 175.17 177.21 2dnx n PHE 12 N 0.08 -0.27 -0.22 -5.34 -0.00 -1.26 0.18 117.46 110.62 2dnx n PHE 12 Ca -0.01 0.76 0.03 0.00 -0.00 0.00 0.00 57.45 58.24 2dnx n PHE 12 Cb 0.52 -0.53 0.14 0.00 -0.00 0.00 0.00 39.48 39.62 2dnx n PHE 12 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2dnx h SER 13 N 0.00 0.01 -0.62 -2.13 0.87 -1.98 1.58 113.55 111.28 2dnx h SER 13 Ca 0.10 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2dnx h SER 13 Cb 0.25 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2dnx h SER 13 CO -0.57 -0.01 0.41 0.28 -0.53 0.00 0.00 176.83 176.41 2dnx h SER 14 N 0.27 0.60 0.65 6.23 0.02 0.15 -0.84 113.55 120.63 2dnx h SER 14 Ca 0.36 -0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.04 2dnx h SER 14 Cb 0.58 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2dnx h SER 14 CO -0.45 0.41 -1.23 0.40 -1.14 0.00 0.00 176.83 174.81 2dnx h ILE 15 N 0.70 1.51 0.24 3.27 2.04 0.41 -3.19 117.51 122.50 2dnx h ILE 15 Ca 0.25 -3.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.02 2dnx h ILE 15 Cb 0.14 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 2dnx h ILE 15 CO -0.07 0.90 -0.28 0.40 0.00 0.00 0.00 178.15 179.09 2dnx h ILE 16 N 0.07 0.00 -0.61 -0.67 1.08 0.34 0.54 117.51 118.25 2dnx h ILE 16 Ca -0.13 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 2dnx h ILE 16 Cb 1.96 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.60 2dnx h ILE 16 CO 0.20 0.00 -0.37 1.56 -0.69 0.00 0.00 178.15 178.85 2dnx h GLN 17 N -0.53 -0.17 -0.94 2.37 1.08 -1.41 0.77 115.11 116.28 2dnx h GLN 17 Ca -0.03 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2dnx h GLN 17 Cb 0.47 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.87 2dnx h GLN 17 CO -0.06 -0.11 0.60 1.15 -0.95 0.00 0.00 178.83 179.46 2dnx h THR 18 N -0.17 0.90 0.22 -0.54 2.02 -1.47 0.65 112.91 114.52 2dnx h THR 18 Ca 0.22 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2dnx h THR 18 Cb 0.56 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2dnx h THR 18 CO -0.70 0.16 -0.11 0.00 0.37 0.00 0.00 175.52 175.24 2dnx h SER 20 N -0.58 -1.22 -0.59 0.00 0.87 0.13 -0.09 113.55 112.07 2dnx h SER 20 Ca -0.03 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.71 2dnx h SER 20 Cb 0.43 0.39 -0.11 0.00 -0.44 0.00 0.00 62.40 62.66 2dnx h SER 20 CO 0.05 -0.64 -0.38 1.23 -0.53 0.00 0.00 176.83 176.55 2dnx h GLY 21 N -1.00 -0.28 0.00 5.77 0.00 0.22 0.02 103.07 107.82 2dnx h GLY 21 Ca -0.07 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.81 2dnx h GLY 21 CO 0.00 -0.19 -0.36 3.43 0.00 0.00 0.00 176.54 179.43 2dnx h ASN 22 N -0.19 -1.15 -0.68 0.19 4.21 -0.89 -1.19 115.58 115.87 2dnx h ASN 22 Ca 0.21 0.17 0.09 0.00 1.21 0.00 0.00 56.30 57.98 2dnx h ASN 22 Cb 0.56 0.49 -0.11 0.00 -1.12 0.00 0.00 38.32 38.14 2dnx h ASN 22 CO -0.69 -0.37 -0.46 0.40 -1.29 0.00 0.00 177.43 175.02 2dnx h ILE 23 N -0.39 0.06 -0.38 2.81 2.04 0.79 -0.34 117.51 122.10 2dnx h ILE 23 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2dnx h ILE 23 Cb 0.57 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 2dnx h ILE 23 CO -0.43 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 178.82 2dnx h GLN 24 N -0.18 -0.29 -0.69 2.37 4.20 -0.01 -0.48 115.11 120.03 2dnx h GLN 24 Ca 0.19 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.00 2dnx h GLN 24 Cb 0.55 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.29 2dnx h GLN 24 CO -0.76 -0.19 -0.53 0.00 -0.67 0.00 0.00 178.83 176.68 2dnx h ARG 25 N -0.30 -0.19 -0.82 1.46 -0.00 -0.19 1.55 114.38 115.89 2dnx h ARG 25 Ca 0.07 0.01 0.17 0.00 -0.50 0.00 0.00 59.98 59.73 2dnx h ARG 25 Cb 0.47 0.04 -0.15 0.00 0.00 0.00 0.00 29.97 30.33 2dnx h ARG 25 CO -0.51 -0.13 -0.15 0.82 0.00 0.00 0.00 179.97 180.00 2dnx h ILE 26 N -0.20 0.20 -0.05 2.04 2.04 -0.06 1.57 117.51 123.04 2dnx h ILE 26 Ca 0.14 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.89 2dnx h ILE 26 Cb 0.53 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2dnx h ILE 26 CO -0.76 0.00 -0.47 -1.28 0.00 0.00 0.00 178.15 175.64 2dnx h SER 27 N 0.02 0.14 0.30 1.72 0.87 0.13 -2.03 113.55 114.69 2dnx h SER 27 Ca 0.41 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2dnx h SER 27 Cb 0.66 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2dnx h SER 27 CO -0.82 0.59 -0.15 1.56 -0.53 0.00 0.00 176.83 177.49 2dnx h GLN 28 N 0.10 -0.39 -0.98 2.24 4.20 1.25 -1.93 115.11 119.59 2dnx h GLN 28 Ca 0.00 0.03 0.25 0.00 0.06 0.00 0.00 58.65 58.99 2dnx h GLN 28 Cb 0.87 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.61 2dnx h GLN 28 CO 0.07 -0.26 0.55 0.00 -0.67 0.00 0.00 178.83 178.51 2dnx h ALA 29 N -1.65 1.72 0.00 3.87 0.00 0.57 1.54 119.26 125.31 2dnx h ALA 29 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dnx h ALA 29 Cb 0.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dnx h ALA 29 CO 0.07 -0.31 -0.06 1.15 0.00 0.00 0.00 179.25 180.10 2dnx h THR 30 N 0.52 0.95 0.19 0.00 2.02 -1.34 -0.88 112.91 114.37 2dnx h THR 30 Ca 0.63 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 67.30 2dnx h THR 30 Cb 1.22 1.11 0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2dnx h THR 30 CO -0.50 0.06 -1.36 0.00 0.37 0.00 0.00 175.52 174.09 2dnx h ALA 31 N 1.94 -0.07 -0.60 6.16 0.00 0.29 -2.98 119.26 124.00 2dnx h ALA 31 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 2dnx h ALA 31 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2dnx h ALA 31 CO 0.01 0.73 0.35 1.96 0.00 0.00 0.00 179.25 182.29 2dnx h GLN 32 N 0.19 0.81 -0.25 0.00 4.20 0.06 0.58 115.11 120.70 2dnx h GLN 32 Ca -0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 2dnx h GLN 32 Cb 2.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.65 2dnx h GLN 32 CO 0.25 0.58 0.00 0.82 -0.67 0.00 0.00 178.83 179.82 2dnx h ILE 33 N 0.83 1.25 -0.34 2.54 2.04 -1.23 1.52 117.51 124.12 2dnx h ILE 33 Ca 0.22 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 2dnx h ILE 33 Cb -0.02 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2dnx h ILE 33 CO -0.04 0.28 -0.22 0.11 0.00 0.00 0.00 178.15 178.29 2dnx h LYS 34 N 0.22 0.65 -0.12 2.37 1.57 -1.23 0.76 116.57 120.78 2dnx h LYS 34 Ca 0.07 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 2dnx h LYS 34 Cb 0.41 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.69 2dnx h LYS 34 CO 0.01 0.82 -0.52 -0.91 -0.57 0.00 0.00 179.45 178.28 2dnx h ASN 35 N 0.57 0.66 1.11 0.86 4.21 0.41 -2.89 115.58 120.50 2dnx h ASN 35 Ca 0.08 -0.63 0.00 0.00 1.21 0.00 0.00 56.30 56.97 2dnx h ASN 35 Cb 0.68 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2dnx h ASN 35 CO 0.05 1.18 0.00 0.18 -1.29 0.00 0.00 177.43 177.55 2dnx n LEU 36 N -4.20 0.72 0.29 1.61 4.77 0.52 -3.58 117.00 117.12 2dnx n LEU 36 Ca -0.08 0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 2dnx n LEU 36 Cb 0.61 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2dnx n LEU 36 CO 0.47 -0.35 0.45 -0.03 -1.33 0.00 0.00 177.39 176.60 2dnx h MET 37 N 0.00 -0.72 -0.54 3.23 4.05 0.75 -2.87 114.93 118.84 2dnx h MET 37 Ca 0.00 0.05 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 2dnx h MET 37 Cb 0.55 0.16 -0.10 0.00 -0.80 0.00 0.00 31.60 31.42 2dnx h MET 37 CO 0.00 -0.48 -0.07 0.77 0.23 0.00 0.00 176.91 177.36 2dnx h SER 38 N -0.83 -0.37 -0.98 1.39 0.02 -1.62 -0.62 113.55 110.53 2dnx h SER 38 Ca -0.08 0.15 0.18 0.00 -0.84 0.00 0.00 61.79 61.20 2dnx h SER 38 Cb 0.57 0.28 -0.17 0.00 0.14 0.00 0.00 62.40 63.22 2dnx h SER 38 CO 0.13 -0.14 -0.31 1.56 -1.14 0.00 0.00 176.83 176.93 2dnx h GLN 39 N 0.05 -0.00 0.15 3.45 4.20 -1.60 0.49 115.11 121.84 2dnx h GLN 39 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2dnx h GLN 39 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2dnx h GLN 39 CO -0.50 -0.00 -0.12 -0.07 -0.67 0.00 0.00 178.83 177.46 2dnx h LEU 40 N -0.00 -0.32 -7.74 1.46 3.38 -0.90 -3.32 115.31 107.87 2dnx h LEU 40 Ca 0.41 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 58.13 2dnx h LEU 40 Cb 0.66 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dnx h LEU 40 CO -0.99 -0.19 0.87 0.61 0.09 0.00 0.00 178.44 178.82 2dnx n GLY 41 N -1.24 0.62 2.42 0.83 0.00 0.17 -4.76 105.19 103.22 2dnx n GLY 41 Ca -0.08 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 2dnx n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dnx n THR 42 N 7.98 0.00 -1.62 2.61 -2.24 -1.25 -4.90 114.28 114.86 2dnx n THR 42 Ca 0.44 -1.20 -0.32 0.00 -2.27 0.00 0.00 64.05 60.71 2dnx n THR 42 Cb 0.46 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 2dnx n THR 42 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2dnx n LYS 43 N -0.41 3.35 -3.60 -0.78 0.00 -1.26 -4.83 118.16 110.63 2dnx n LYS 43 Ca -0.00 -2.63 0.02 0.00 0.00 0.00 0.00 58.31 55.69 2dnx n LYS 43 Cb 0.42 -2.38 -0.00 0.00 0.00 0.00 0.00 35.03 33.06 2dnx n LYS 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2dnx s GLN 44 N -0.85 0.29 0.58 1.64 -0.44 -1.26 -5.18 119.66 114.44 2dnx s GLN 44 Ca 0.59 -0.15 0.01 0.00 -2.50 0.00 0.00 55.36 53.30 2dnx s GLN 44 Cb 0.28 0.10 0.05 0.00 -1.64 0.00 0.00 33.01 31.80 2dnx s GLN 44 CO -0.13 -0.13 0.82 -0.51 0.50 0.00 0.00 175.29 175.84 2dnx s ASP 45 N -2.90 5.12 -0.30 6.67 1.11 -1.26 -4.92 116.67 120.19 2dnx s ASP 45 Ca 0.14 -0.03 -0.07 0.00 0.18 0.00 0.00 52.55 52.77 2dnx s ASP 45 Cb 0.05 -0.77 0.19 0.00 1.07 0.00 0.00 42.92 43.46 2dnx s ASP 45 CO -0.05 -1.27 0.93 -0.44 1.18 0.00 0.00 175.17 175.52 2dnx s SER 46 N -4.47 -0.73 -0.12 0.27 0.01 -1.26 -5.04 113.70 102.36 2dnx s SER 46 Ca 0.59 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.83 2dnx s SER 46 Cb -0.10 1.48 -0.26 0.00 0.21 0.00 0.00 66.02 67.36 2dnx s SER 46 CO 0.40 -0.13 0.49 -1.28 0.41 0.00 0.00 173.24 173.13 2dnx h SER 47 N 7.55 0.33 -0.17 2.44 0.87 -2.00 -3.31 113.55 119.27 2dnx h SER 47 Ca -0.08 -0.83 0.02 0.00 -1.23 0.00 0.00 61.79 59.67 2dnx h SER 47 Cb 1.18 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2dnx h SER 47 CO -0.03 1.62 -0.22 0.11 -0.53 0.00 0.00 176.83 177.79 2dnx h LYS 48 N -0.35 -0.14 -0.69 2.24 6.56 -1.99 -0.39 116.57 121.80 2dnx h LYS 48 Ca -0.32 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.35 2dnx h LYS 48 Cb 1.73 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 33.33 2dnx h LYS 48 CO 0.03 -0.10 -0.48 -0.07 -2.06 0.00 0.00 179.45 176.77 2dnx h LEU 49 N -0.15 -1.73 -0.83 2.94 3.38 -1.97 0.19 115.31 117.14 2dnx h LEU 49 Ca 0.03 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2dnx h LEU 49 Cb 0.23 0.75 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 2dnx h LEU 49 CO -0.24 -0.23 -0.49 0.00 0.09 0.00 0.00 178.44 177.57 2dnx n GLN 50 N -4.89 -0.36 -0.36 1.13 1.13 -0.70 0.19 117.38 113.51 2dnx n GLN 50 Ca 0.00 1.30 0.08 0.00 -1.94 0.00 0.00 57.00 56.44 2dnx n GLN 50 Cb 0.24 -1.91 0.25 0.00 0.11 0.00 0.00 30.24 28.93 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 0.92 -0.26 -1.09 4.22 0.70 -0.37 114.58 118.70 2dnx h GLU 51 Ca 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 2dnx h GLU 51 Cb 0.34 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dnx h GLU 51 CO -0.78 0.61 0.13 -0.97 -2.18 0.00 0.00 179.01 175.82 2dnx h ASN 52 N 0.95 0.34 -0.23 1.04 -0.73 0.49 -1.60 115.58 115.85 2dnx h ASN 52 Ca 0.51 -0.13 0.04 0.00 1.87 0.00 0.00 56.30 58.59 2dnx h ASN 52 Cb 0.57 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 39.00 2dnx h ASN 52 CO -0.29 0.37 -0.54 -0.07 -0.37 0.00 0.00 177.43 176.54 2dnx h LEU 53 N 0.29 -1.74 0.00 0.34 3.38 0.23 0.57 115.31 118.38 2dnx h LEU 53 Ca 0.09 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2dnx h LEU 53 Cb 0.12 0.69 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dnx h LEU 53 CO -0.01 -0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.07 2dnx n GLN 54 N -5.34 0.00 -0.33 1.13 1.13 -0.88 -0.17 117.38 112.93 2dnx n GLN 54 Ca -0.05 0.70 0.05 0.00 -1.94 0.00 0.00 57.00 55.76 2dnx n GLN 54 Cb 0.36 -1.49 0.12 0.00 0.11 0.00 0.00 30.24 29.34 2dnx n GLN 54 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2dnx n GLN 55 N -2.39 -0.09 0.00 -1.09 1.13 -0.61 0.14 117.38 114.48 2dnx n GLN 55 Ca 0.00 1.42 -0.09 0.00 -1.94 0.00 0.00 57.00 56.39 2dnx n GLN 55 Cb 0.00 -2.12 -0.03 0.00 0.11 0.00 0.00 30.24 28.19 2dnx n GLN 55 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dnx h LEU 56 N 0.00 -0.40 0.06 1.08 3.38 0.67 0.53 115.31 120.64 2dnx h LEU 56 Ca 0.43 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2dnx h LEU 56 Cb 0.66 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2dnx h LEU 56 CO -0.94 -0.17 -0.13 1.56 0.09 0.00 0.00 178.44 178.85 2dnx h GLN 57 N -0.16 -0.20 -0.84 1.13 4.20 0.47 -1.60 115.11 118.11 2dnx h GLN 57 Ca 0.08 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.91 2dnx h GLN 57 Cb 0.28 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.98 2dnx h GLN 57 CO -0.21 -0.13 -0.49 1.25 -0.67 0.00 0.00 178.83 178.57 2dnx h HIS 58 N -0.21 -1.51 -0.96 2.96 2.76 -0.86 0.26 115.15 117.60 2dnx h HIS 58 Ca -0.01 0.11 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 2dnx h HIS 58 Cb 0.20 0.77 -0.13 0.00 1.55 0.00 0.00 27.41 29.80 2dnx h HIS 58 CO -0.27 -0.40 -0.50 0.43 -1.30 0.00 0.00 177.93 175.89 2dnx n SER 59 N -5.36 -0.89 -0.16 3.26 7.64 0.17 0.69 113.62 118.97 2dnx n SER 59 Ca 0.04 1.69 -0.06 0.00 1.01 0.00 0.00 58.87 61.55 2dnx n SER 59 Cb 0.33 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.02 -0.47 0.44 2.02 0.28 -1.82 112.91 114.38 2dnx h THR 60 Ca 0.21 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.25 2dnx h THR 60 Cb 0.45 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 2dnx h THR 60 CO -0.91 0.10 -0.43 -1.13 0.37 0.00 0.00 175.52 173.51 2dnx h ASN 61 N 0.54 -1.50 0.17 4.18 -1.24 0.34 0.24 115.58 118.31 2dnx h ASN 61 Ca 0.20 0.21 0.01 0.00 0.71 0.00 0.00 56.30 57.43 2dnx h ASN 61 Cb 0.05 0.63 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 2dnx h ASN 61 CO -0.11 -0.26 -0.46 1.56 -1.29 0.00 0.00 177.43 176.87 2dnx h GLN 62 N -0.19 -0.70 -0.94 6.67 4.20 -0.88 -1.41 115.11 121.85 2dnx h GLN 62 Ca 0.08 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.98 2dnx h GLN 62 Cb 0.40 0.16 -0.15 0.00 0.30 0.00 0.00 27.48 28.19 2dnx h GLN 62 CO -0.54 -0.47 -0.37 1.28 -0.67 0.00 0.00 178.83 178.05 2dnx n LEU 63 N -5.48 -0.62 0.07 1.46 4.77 -0.60 0.53 117.00 117.12 2dnx n LEU 63 Ca -0.08 1.65 -0.13 0.00 -0.03 0.00 0.00 56.01 57.41 2dnx n LEU 63 Cb 0.40 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2dnx n LEU 63 CO 0.19 -1.48 0.59 0.00 -1.33 0.00 0.00 177.39 175.37 2dnx h ALA 64 N 1.28 -0.66 -0.90 -1.18 0.00 0.19 0.63 119.26 118.62 2dnx h ALA 64 Ca 0.32 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.43 2dnx h ALA 64 Cb 0.56 0.72 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2dnx h ALA 64 CO -0.94 -0.95 0.13 0.87 0.00 0.00 0.00 179.25 178.37 2dnx h LYS 65 N -0.57 0.11 0.00 0.00 1.57 0.11 0.41 116.57 118.19 2dnx h LYS 65 Ca 0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2dnx h LYS 65 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2dnx h LYS 65 CO -0.30 0.07 -0.00 0.93 -0.57 0.00 0.00 179.45 179.57 2dnx h GLU 66 N 0.11 -0.00 -0.39 3.15 4.39 0.96 -2.26 114.58 120.53 2dnx h GLU 66 Ca 0.55 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.34 2dnx h GLU 66 Cb 1.12 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 2dnx h GLU 66 CO -0.75 0.34 -0.26 1.15 -1.16 0.00 0.00 179.01 178.33 2dnx h THR 67 N -0.35 0.33 -0.59 1.13 2.02 0.40 0.56 112.91 116.41 2dnx h THR 67 Ca -0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2dnx h THR 67 Cb 0.34 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2dnx h THR 67 CO 0.00 0.00 0.40 -1.13 0.37 0.00 0.00 175.52 175.16 2dnx h ASN 68 N -0.19 0.40 0.92 4.18 -1.24 -0.43 1.18 115.58 120.40 2dnx h ASN 68 Ca 0.19 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.12 2dnx h ASN 68 Cb 0.49 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2dnx h ASN 68 CO -0.50 0.25 -0.40 -0.33 -1.29 0.00 0.00 177.43 175.16 2dnx h GLU 69 N 0.45 0.00 0.11 6.67 5.08 0.49 -2.66 114.58 124.72 2dnx h GLU 69 Ca 0.27 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.31 2dnx h GLU 69 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2dnx h GLU 69 CO -0.08 0.40 -1.69 -0.07 -1.00 0.00 0.00 179.01 176.57 2dnx h LEU 70 N 0.00 0.35 -2.34 1.33 3.38 0.39 -2.69 115.31 115.73 2dnx h LEU 70 Ca -0.00 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2dnx h LEU 70 Cb 0.97 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dnx h LEU 70 CO 0.05 1.51 -0.04 -0.07 0.09 0.00 0.00 178.44 179.98 2dnx h LEU 71 N 0.06 0.00 0.11 1.67 3.38 0.13 0.65 115.31 121.30 2dnx h LEU 71 Ca -0.30 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.35 2dnx h LEU 71 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2dnx h LEU 71 CO 0.13 0.04 -1.70 0.07 0.09 0.00 0.00 178.44 177.07 2dnx h LYS 72 N 0.00 0.22 0.00 1.13 2.10 -1.54 -3.34 116.57 115.14 2dnx h LYS 72 Ca -0.00 -0.38 -0.08 0.00 -2.00 0.00 0.00 60.65 58.19 2dnx h LYS 72 Cb 0.18 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 2dnx h LYS 72 CO 0.00 1.18 -0.37 1.05 -2.00 0.00 0.00 179.45 179.32 2dnx h GLU 73 N -0.22 0.00 0.05 0.07 4.11 -1.04 -2.06 114.58 115.49 2dnx h GLU 73 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2dnx h GLU 73 Cb 1.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 2dnx h GLU 73 CO 0.03 0.37 -0.05 -0.07 0.07 0.00 0.00 179.01 179.36 2dnx h LEU 74 N 0.00 -0.14 -2.49 3.06 3.38 0.16 -1.75 115.31 117.54 2dnx h LEU 74 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 74 Cb 0.69 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dnx h LEU 74 CO 0.05 -0.07 0.04 1.23 0.09 0.00 0.00 178.44 179.78 2dnx h GLY 75 N -0.10 0.00 1.34 0.83 0.00 -1.68 -0.64 103.07 102.82 2dnx h GLY 75 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2dnx h GLY 75 CO -0.01 0.00 0.44 0.23 0.00 0.00 0.00 176.54 177.20 2dnx h SER 76 N 0.00 0.75 -3.12 0.19 0.87 -0.70 -3.43 113.55 108.11 2dnx h SER 76 Ca 0.01 -0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2dnx h SER 76 Cb 0.09 -0.19 0.20 0.00 -0.44 0.00 0.00 62.40 62.07 2dnx h SER 76 CO -0.00 0.54 -0.66 0.18 -0.53 0.00 0.00 176.83 176.36 2dnx n LEU 77 N -4.44 -0.51 -4.79 2.23 4.77 -0.25 -4.95 117.00 109.05 2dnx n LEU 77 Ca 0.07 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 56.20 2dnx n LEU 77 Cb 0.05 -1.15 0.12 0.00 -2.33 0.00 0.00 43.42 40.11 2dnx n LEU 77 CO 0.36 -3.71 0.71 -2.16 -1.33 0.00 0.00 177.39 171.26 2dnx s PRO 78 N -2.97 1.36 -0.01 3.23 0.04 -1.26 -5.06 135.00 130.33 2dnx s PRO 78 Ca 0.59 0.37 0.02 0.00 0.04 0.00 0.00 61.00 62.02 2dnx s PRO 78 Cb -0.28 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2dnx s PRO 78 CO 0.65 -2.06 -0.04 -0.51 0.04 0.00 0.00 177.00 175.08 2dnx s LEU 79 N -5.97 3.32 0.81 -3.56 1.43 -1.26 -5.11 118.68 108.33 2dnx s LEU 79 Ca 0.63 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 2dnx s LEU 79 Cb -0.15 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2dnx s LEU 79 CO 0.53 0.29 1.10 -2.16 0.23 0.00 0.00 176.35 176.34 2dnx s PRO 80 N -1.42 2.02 0.32 1.29 0.04 -1.26 -4.96 135.00 131.03 2dnx s PRO 80 Ca 0.18 0.61 0.07 0.00 0.04 0.00 0.00 61.00 61.90 2dnx s PRO 80 Cb -0.11 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 33.05 2dnx s PRO 80 CO 0.08 -1.66 1.75 -0.07 0.04 0.00 0.00 177.00 177.14 2dnx h LEU 81 N -1.12 0.24 -9.19 -3.56 -0.00 -2.02 -3.42 115.31 96.25 2dnx h LEU 81 Ca -0.47 -0.09 -0.57 0.00 -0.00 0.00 0.00 57.88 56.74 2dnx h LEU 81 Cb 1.27 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.80 2dnx h LEU 81 CO 0.59 0.58 0.38 -0.44 -0.00 0.00 0.00 178.44 179.55 2dnx s SER 82 N -6.88 6.99 0.18 -0.43 0.01 -1.26 -4.94 113.70 107.37 2dnx s SER 82 Ca -0.05 1.21 -0.10 0.00 1.31 0.00 0.00 55.95 58.32 2dnx s SER 82 Cb 0.14 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.98 2dnx s SER 82 CO 0.76 -0.38 1.66 0.74 0.41 0.00 0.00 173.24 176.44 2dnx h THR 83 N 5.14 1.26 -1.37 1.44 2.02 -2.00 -2.44 112.91 116.97 2dnx h THR 83 Ca -0.31 -1.04 0.41 0.00 0.77 0.00 0.00 66.41 66.24 2dnx h THR 83 Cb 1.14 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 2dnx h THR 83 CO 0.83 0.38 0.93 -1.28 0.37 0.00 0.00 175.52 176.75 2dnx h SER 84 N 0.94 0.17 0.13 4.18 0.87 -1.96 0.57 113.55 118.44 2dnx h SER 84 Ca 0.18 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.57 2dnx h SER 84 Cb 0.46 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2dnx h SER 84 CO 0.02 -0.05 -1.18 -0.33 -0.53 0.00 0.00 176.83 174.75 2dnx h GLU 85 N 0.10 0.27 -0.82 2.24 4.39 -1.84 -3.03 114.58 115.90 2dnx h GLU 85 Ca 0.74 -0.46 0.16 0.00 0.34 0.00 0.00 59.36 60.14 2dnx h GLU 85 Cb 2.54 0.17 -0.15 0.00 -0.10 0.00 0.00 28.75 31.21 2dnx h GLU 85 CO -0.22 1.22 -0.22 1.96 -1.16 0.00 0.00 179.01 180.60 2dnx h GLN 86 N -0.33 -0.01 0.60 2.33 4.20 0.46 0.25 115.11 122.61 2dnx h GLN 86 Ca -0.24 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 2dnx h GLN 86 Cb 1.72 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.50 2dnx h GLN 86 CO 0.10 -0.00 -0.29 -0.09 -0.67 0.00 0.00 178.83 177.87 2dnx h ARG 87 N -0.01 -0.77 -1.60 1.46 9.65 -1.43 -2.50 114.38 119.18 2dnx h ARG 87 Ca 0.39 0.05 0.47 0.00 -1.10 0.00 0.00 59.98 59.78 2dnx h ARG 87 Cb 0.60 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 29.29 2dnx h ARG 87 CO -0.84 -0.51 1.31 1.96 2.80 0.00 0.00 179.97 184.68 2dnx h GLN 88 N -1.16 0.00 0.00 0.20 1.08 -1.20 0.94 115.11 114.97 2dnx h GLN 88 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2dnx h GLN 88 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2dnx h GLN 88 CO 0.13 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.05 2dnx n GLN 89 N -3.73 0.00 -0.24 1.46 6.02 0.82 -3.08 117.38 118.62 2dnx n GLN 89 Ca 0.36 0.48 0.20 0.00 -0.01 0.00 0.00 57.00 58.03 2dnx n GLN 89 Cb 1.79 -1.11 0.52 0.00 1.02 0.00 0.00 30.24 32.47 2dnx n GLN 89 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2dnx h ARG 90 N 0.00 0.37 -0.97 -1.09 0.11 -0.60 0.35 114.38 112.55 2dnx h ARG 90 Ca 0.00 -0.02 0.12 0.00 0.10 0.00 0.00 59.98 60.18 2dnx h ARG 90 Cb 0.00 -0.08 -0.08 0.00 1.11 0.00 0.00 29.97 30.91 2dnx h ARG 90 CO 0.00 0.25 0.60 -0.07 0.10 0.00 0.00 179.97 180.85 2dnx h LEU 91 N 0.38 0.87 0.09 0.08 3.38 0.71 1.15 115.31 121.98 2dnx h LEU 91 Ca 0.47 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 2dnx h LEU 91 Cb 1.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dnx h LEU 91 CO -0.17 0.46 -0.04 1.56 0.09 0.00 0.00 178.44 180.34 2dnx h GLN 92 N 0.95 -0.12 -1.00 1.13 1.08 -0.25 -2.91 115.11 113.99 2dnx h GLN 92 Ca 0.48 0.01 0.28 0.00 -1.45 0.00 0.00 58.65 57.97 2dnx h GLN 92 Cb 0.49 0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 27.80 2dnx h GLN 92 CO -0.27 -0.08 0.57 1.57 -0.95 0.00 0.00 178.83 179.67 2dnx h LYS 93 N -0.22 0.43 -0.17 1.46 2.10 -1.33 0.12 116.57 118.96 2dnx h LYS 93 Ca -0.01 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.66 2dnx h LYS 93 Cb 0.09 -0.10 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 2dnx h LYS 93 CO 0.02 0.28 -0.44 0.93 -2.00 0.00 0.00 179.45 178.24 2dnx h GLU 94 N 0.44 -0.47 -0.82 0.07 4.39 0.13 0.34 114.58 118.66 2dnx h GLU 94 Ca 0.68 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.46 2dnx h GLU 94 Cb 1.44 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 2dnx h GLU 94 CO -0.55 -0.31 0.52 0.00 -1.16 0.00 0.00 179.01 177.51 2dnx h ARG 95 N -0.48 0.95 -0.58 2.33 -0.00 -0.60 -1.45 114.38 114.54 2dnx h ARG 95 Ca 0.08 -0.06 0.07 0.00 -0.50 0.00 0.00 59.98 59.57 2dnx h ARG 95 Cb 0.63 -0.21 -0.06 0.00 0.00 0.00 0.00 29.97 30.33 2dnx h ARG 95 CO -0.43 0.63 0.26 -0.07 0.00 0.00 0.00 179.97 180.36 2dnx h LEU 96 N 0.98 0.33 -0.36 3.04 3.38 -0.05 1.50 115.31 124.13 2dnx h LEU 96 Ca 0.34 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.40 2dnx h LEU 96 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2dnx h LEU 96 CO -0.14 0.21 0.16 0.24 0.09 0.00 0.00 178.44 179.01 2dnx h MET 97 N 0.49 0.33 -0.11 1.13 2.86 0.62 1.46 114.93 121.71 2dnx h MET 97 Ca 0.28 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 2dnx h MET 97 Cb 0.27 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2dnx h MET 97 CO -0.23 0.22 -0.10 -0.91 1.06 0.00 0.00 176.91 176.94 2dnx h ASN 98 N 0.34 0.28 0.38 1.22 2.35 -0.61 -2.40 115.58 117.14 2dnx h ASN 98 Ca 0.16 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 2dnx h ASN 98 Cb 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2dnx h ASN 98 CO -0.12 0.70 -0.26 0.44 -1.65 0.00 0.00 177.43 176.53 2dnx h ASP 99 N -0.14 -0.67 -1.02 5.81 3.32 0.24 -0.97 116.42 122.99 2dnx h ASP 99 Ca 0.02 0.05 0.27 0.00 0.02 0.00 0.00 57.03 57.38 2dnx h ASP 99 Cb 0.62 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.30 2dnx h ASP 99 CO 0.03 -0.40 0.69 0.15 -1.72 0.00 0.00 179.24 177.98 2dnx h PHE 100 N -0.62 0.41 0.44 4.55 3.57 0.20 -0.58 116.94 124.90 2dnx h PHE 100 Ca -0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2dnx h PHE 100 Cb 0.53 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2dnx h PHE 100 CO -0.12 0.05 -0.21 1.03 -2.23 0.00 0.00 178.31 176.84 2dnx h SER 101 N 0.26 -0.50 -0.89 0.41 0.87 -0.76 0.24 113.55 113.19 2dnx h SER 101 Ca 0.54 -0.10 0.23 0.00 -1.23 0.00 0.00 61.79 61.23 2dnx h SER 101 Cb 1.63 0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 63.59 2dnx h SER 101 CO -0.17 -0.10 0.34 0.00 -0.53 0.00 0.00 176.83 176.37 2dnx h ALA 102 N -0.71 1.39 -0.22 6.23 0.00 0.11 1.15 119.26 127.21 2dnx h ALA 102 Ca -0.06 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dnx h ALA 102 Cb 0.56 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dnx h ALA 102 CO 0.10 -0.40 -0.49 0.00 0.00 0.00 0.00 179.25 178.46 2dnx h ALA 103 N 1.74 0.74 0.72 0.00 0.00 -1.12 -2.77 119.26 118.56 2dnx h ALA 103 Ca 0.56 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dnx h ALA 103 Cb 1.11 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2dnx h ALA 103 CO -0.58 0.67 -0.35 1.25 0.00 0.00 0.00 179.25 180.25 2dnx h LEU 104 N 0.46 -0.82 -0.95 0.00 5.85 0.45 -2.71 115.31 117.59 2dnx h LEU 104 Ca 0.02 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.02 2dnx h LEU 104 Cb 1.02 0.21 -0.18 0.00 0.37 0.00 0.00 40.66 42.09 2dnx h LEU 104 CO 0.09 -0.51 -0.01 -1.13 -0.34 0.00 0.00 178.44 176.54 2dnx h ASN 105 N -1.11 -0.52 -0.16 1.25 -0.73 0.48 0.35 115.58 115.13 2dnx h ASN 105 Ca -0.10 0.27 0.03 0.00 1.87 0.00 0.00 56.30 58.37 2dnx h ASN 105 Cb 0.74 0.48 -0.06 0.00 0.27 0.00 0.00 38.32 39.75 2dnx h ASN 105 CO 0.16 -0.32 -0.49 -1.13 -0.37 0.00 0.00 177.43 175.28 2dnx h ASN 106 N 0.03 -1.56 -0.67 1.15 -0.73 -1.33 0.33 115.58 112.79 2dnx h ASN 106 Ca 0.55 0.19 0.14 0.00 1.87 0.00 0.00 56.30 59.05 2dnx h ASN 106 Cb 1.08 0.61 -0.11 0.00 0.27 0.00 0.00 38.32 40.17 2dnx h ASN 106 CO -0.90 -0.42 0.06 0.15 -0.37 0.00 0.00 177.43 175.96 2dnx h PHE 107 N -0.50 0.07 0.52 0.67 3.57 -0.06 0.69 116.94 121.90 2dnx h PHE 107 Ca 0.03 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2dnx h PHE 107 Cb 0.60 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2dnx h PHE 107 CO -0.59 -0.14 -0.45 1.96 -2.23 0.00 0.00 178.31 176.85 2dnx h GLN 108 N 0.17 -0.91 -0.12 1.11 4.20 0.22 1.40 115.11 121.17 2dnx h GLN 108 Ca 0.36 0.06 0.03 0.00 0.06 0.00 0.00 58.65 59.17 2dnx h GLN 108 Cb 0.60 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 2dnx h GLN 108 CO -0.53 -0.61 0.41 0.00 -0.67 0.00 0.00 178.83 177.42 2dnx h ALA 109 N -1.08 1.59 0.02 3.87 0.00 0.29 1.24 119.26 125.20 2dnx h ALA 109 Ca -0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 2dnx h ALA 109 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2dnx h ALA 109 CO -0.01 -0.47 -1.66 0.28 0.00 0.00 0.00 179.25 177.39 2dnx h VAL 110 N 0.00 0.93 -0.15 0.00 2.07 0.12 -2.92 116.25 116.30 2dnx h VAL 110 Ca 0.06 -2.74 -0.14 0.00 0.82 0.00 0.00 66.70 64.69 2dnx h VAL 110 Cb 0.87 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2dnx h VAL 110 CO -0.00 0.60 -0.51 0.06 0.02 0.00 0.00 177.57 177.74 2dnx h GLN 111 N 0.01 0.42 0.01 1.57 3.07 1.11 0.22 115.11 121.51 2dnx h GLN 111 Ca -0.27 -0.25 -0.20 0.00 0.09 0.00 0.00 58.65 58.02 2dnx h GLN 111 Cb 1.99 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 29.55 2dnx h GLN 111 CO 0.09 0.83 -0.95 0.07 0.09 0.00 0.00 178.83 178.96 2dnx h ARG 112 N 0.33 0.03 0.04 0.06 -0.00 -0.86 -2.68 114.38 111.30 2dnx h ARG 112 Ca 0.01 -0.05 -0.23 0.00 -0.00 0.00 0.00 59.98 59.72 2dnx h ARG 112 Cb 1.01 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.98 2dnx h ARG 112 CO 0.09 0.96 -1.05 0.00 -0.00 0.00 0.00 179.97 179.97 2dnx h ARG 113 N 0.01 0.11 0.18 0.08 3.08 -1.35 -2.99 114.38 113.51 2dnx h ARG 113 Ca -0.02 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2dnx h ARG 113 Cb 1.67 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.78 2dnx h ARG 113 CO 0.13 1.05 -0.09 0.28 -1.07 0.00 0.00 179.97 180.27 2dnx h VAL 114 N 0.04 0.93 -0.39 2.04 2.07 -0.59 -2.60 116.25 117.75 2dnx h VAL 114 Ca -0.05 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.83 2dnx h VAL 114 Cb 1.78 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.82 2dnx h VAL 114 CO 0.15 0.16 -0.13 0.28 0.02 0.00 0.00 177.57 178.05 2dnx h SER 115 N -0.61 -0.47 -1.00 0.57 0.02 -1.57 0.11 113.55 110.60 2dnx h SER 115 Ca -0.02 0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.25 2dnx h SER 115 Cb 0.45 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 2dnx h SER 115 CO 0.04 -0.17 0.60 -0.33 -1.14 0.00 0.00 176.83 175.83 2dnx h GLU 116 N -0.05 0.71 0.84 3.45 5.08 -1.50 0.48 114.58 123.58 2dnx h GLU 116 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2dnx h GLU 116 Cb 0.34 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2dnx h GLU 116 CO -0.43 0.47 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.43 2dnx h LYS 117 N 0.73 -1.09 0.00 2.33 1.63 -0.41 -1.33 116.57 118.43 2dnx h LYS 117 Ca 0.59 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 2dnx h LYS 117 Cb 0.95 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2dnx h LYS 117 CO -0.40 -0.72 0.00 0.93 -3.45 0.00 0.00 179.45 175.81 2dnx h GLU 118 N -1.21 0.00 0.05 1.90 4.39 -0.15 -2.76 114.58 116.80 2dnx h GLU 118 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2dnx h GLU 118 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2dnx h GLU 118 CO 0.19 0.00 -0.02 0.87 -1.16 0.00 0.00 179.01 178.89 2dnx h LYS 119 N 0.00 -0.06 -0.97 2.33 1.57 0.79 -3.17 116.57 117.06 2dnx h LYS 119 Ca 0.00 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.10 2dnx h LYS 119 Cb 0.02 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.17 2dnx h LYS 119 CO 0.00 -0.04 0.27 0.93 -0.57 0.00 0.00 179.45 180.04 2dnx h GLU 120 N -0.17 0.06 -0.11 3.15 5.08 -1.04 0.96 114.58 122.51 2dnx h GLU 120 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2dnx h GLU 120 Cb 0.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2dnx h GLU 120 CO 0.01 0.04 -0.25 1.03 -1.00 0.00 0.00 179.01 178.84 2dnx h SER 121 N 0.06 -0.80 -0.06 1.42 0.87 -1.59 -2.69 113.55 110.77 2dnx h SER 121 Ca 0.68 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.34 2dnx h SER 121 Cb 1.58 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 63.86 2dnx h SER 121 CO -0.80 -0.20 0.01 0.40 -0.53 0.00 0.00 176.83 175.70 2dnx h ILE 122 N -0.23 1.22 -1.15 2.23 2.04 -0.88 -3.36 117.51 117.39 2dnx h ILE 122 Ca 0.02 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2dnx h ILE 122 Cb 0.29 1.57 0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2dnx h ILE 122 CO -0.23 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.09 2dnx n ALA 123 N -2.25 -0.68 -1.75 1.87 0.00 0.31 -4.90 120.51 113.11 2dnx n ALA 123 Ca -0.07 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 2dnx n ALA 123 Cb 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.64 2dnx n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dnx s ARG 124 N -2.97 2.91 -0.16 0.00 0.52 -1.26 -4.22 118.95 113.78 2dnx s ARG 124 Ca 0.09 1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 57.22 2dnx s ARG 124 Cb -0.02 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.50 2dnx s ARG 124 CO 0.07 -1.28 0.01 0.43 0.02 0.00 0.00 175.30 174.55 2dnx n SER 125 N -1.57 -7.07 -3.65 0.23 7.64 -1.26 -4.75 113.62 103.19 2dnx n SER 125 Ca 0.14 0.96 -0.04 0.00 1.01 0.00 0.00 58.87 60.94 2dnx n SER 125 Cb 0.49 -3.53 -0.06 0.00 -1.01 0.00 0.00 64.21 60.10 2dnx n SER 125 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dnx s GLY 126 N -1.25 -0.63 -0.06 0.23 0.00 -1.24 -4.46 107.32 99.90 2dnx s GLY 126 Ca -0.01 2.14 -0.30 0.00 0.00 0.00 0.00 44.72 46.55 2dnx s GLY 126 CO 0.41 2.82 1.23 2.56 0.00 0.00 0.00 173.10 180.11 2dnx s PRO 127 N 2.67 4.33 -0.15 2.90 0.04 -1.26 -4.86 135.00 138.67 2dnx s PRO 127 Ca -0.06 1.70 -0.34 0.00 0.04 0.00 0.00 61.00 62.34 2dnx s PRO 127 Cb -0.11 -3.59 0.15 0.00 0.04 0.00 0.00 34.50 30.99 2dnx s PRO 127 CO -0.17 -0.49 1.37 0.45 0.04 0.00 0.00 177.00 178.19 2dnx s SER 128 N 1.58 -0.03 0.08 6.66 0.15 -1.26 -4.92 113.70 115.96 2dnx s SER 128 Ca 0.56 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 57.27 2dnx s SER 128 Cb -0.25 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2dnx s SER 128 CO 0.21 -0.09 -0.18 -0.94 1.20 0.00 0.00 173.24 173.44 2dnx s SER 129 N -2.60 3.84 0.00 5.45 1.04 -1.26 -5.21 113.70 114.96 2dnx s SER 129 Ca 0.13 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2dnx s SER 129 Cb 0.04 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2dnx s SER 129 CO -0.05 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.00