#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 -1.39 0.29 1.61 1.04 -1.26 -4.93 113.70 109.06 2dnx s SER 2 Ca 0.00 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2dnx s SER 2 Cb 0.00 1.86 0.00 0.00 0.10 0.00 0.00 66.02 67.98 2dnx s SER 2 CO 0.00 -0.10 0.00 -1.20 0.98 0.00 0.00 173.24 172.92 2dnx n SER 3 N 3.54 -1.06 0.00 7.02 7.64 -1.26 -5.16 113.62 124.35 2dnx n SER 3 Ca 0.15 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2dnx n SER 3 Cb 0.56 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 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 0.73 6.18 3.59 0.23 0.00 -1.26 -5.18 105.19 109.48 2dnx n GLY 4 Ca 0.00 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnx s SER 5 N 1.00 3.88 0.27 1.61 0.01 -1.26 -5.03 113.70 114.19 2dnx s SER 5 Ca 0.00 -1.22 -0.21 0.00 1.31 0.00 0.00 55.95 55.82 2dnx s SER 5 Cb 0.00 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.86 2dnx s SER 5 CO 0.00 -0.31 0.74 -0.44 0.41 0.00 0.00 173.24 173.63 2dnx s SER 6 N -3.67 -0.25 -0.30 2.44 0.01 -1.26 -5.08 113.70 105.58 2dnx s SER 6 Ca 0.34 -0.60 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 2dnx s SER 6 Cb 0.05 0.72 0.17 0.00 0.21 0.00 0.00 66.02 67.17 2dnx s SER 6 CO 0.18 -1.32 0.96 -0.83 0.41 0.00 0.00 173.24 172.63 2dnx s GLY 7 N -2.92 -0.35 -0.43 3.44 0.00 -1.26 -4.42 107.32 101.38 2dnx s GLY 7 Ca 0.11 2.80 0.02 0.00 0.00 0.00 0.00 44.72 47.64 2dnx s GLY 7 CO 0.07 3.46 0.98 -1.06 0.00 0.00 0.00 173.10 176.55 2dnx n GLN 8 N 5.21 0.43 -2.73 2.90 6.02 -1.26 -4.99 117.38 122.95 2dnx n GLN 8 Ca -0.07 -1.35 -0.01 0.00 -0.01 0.00 0.00 57.00 55.55 2dnx n GLN 8 Cb 0.53 -0.85 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2dnx n LEU 9 N 2.07 -7.43 -3.69 1.08 7.94 -1.26 -4.21 117.00 111.50 2dnx n LEU 9 Ca 0.09 1.53 -0.25 0.00 -1.11 0.00 0.00 56.01 56.27 2dnx n LEU 9 Cb 0.64 -3.23 0.01 0.00 0.53 0.00 0.00 43.42 41.37 2dnx n LEU 9 CO -0.05 -3.27 -0.10 0.54 -1.11 0.00 0.00 177.39 173.40 2dnx n ARG 10 N 0.94 -1.25 -2.78 1.96 1.74 -1.26 -4.93 116.66 111.08 2dnx n ARG 10 Ca -0.07 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.42 2dnx n ARG 10 Cb 0.14 -3.23 -0.04 0.00 -1.02 0.00 0.00 32.46 28.31 2dnx n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnx s ASP 11 N -3.15 6.63 0.23 0.55 1.11 -1.26 -4.73 116.67 116.05 2dnx s ASP 11 Ca 0.16 1.32 -0.15 0.00 0.18 0.00 0.00 52.55 54.06 2dnx s ASP 11 Cb -0.07 -2.40 0.27 0.00 1.07 0.00 0.00 42.92 41.79 2dnx s ASP 11 CO 0.88 -0.41 1.46 0.33 1.18 0.00 0.00 175.17 178.61 2dnx n PHE 12 N -1.14 0.09 -0.35 4.23 7.35 -1.26 0.19 117.46 126.57 2dnx n PHE 12 Ca 0.04 1.15 -0.03 0.00 -0.76 0.00 0.00 57.45 57.85 2dnx n PHE 12 Cb 0.54 -0.89 0.10 0.00 0.35 0.00 0.00 39.48 39.58 2dnx n PHE 12 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2dnx h SER 13 N 0.00 1.14 -0.59 -2.13 0.02 -1.93 1.43 113.55 111.49 2dnx h SER 13 Ca 0.35 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 2dnx h SER 13 Cb 0.59 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2dnx h SER 13 CO -0.94 0.88 0.05 0.28 -1.14 0.00 0.00 176.83 175.95 2dnx h SER 14 N 1.30 0.99 0.06 3.07 0.02 0.18 0.80 113.55 119.97 2dnx h SER 14 Ca 0.34 -0.25 -0.26 0.00 -0.84 0.00 0.00 61.79 60.77 2dnx h SER 14 Cb -0.04 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.25 2dnx h SER 14 CO -0.06 1.02 -1.04 0.40 -1.14 0.00 0.00 176.83 176.01 2dnx h ILE 15 N 0.95 1.30 0.18 3.27 2.04 0.20 -2.91 117.51 122.53 2dnx h ILE 15 Ca 0.18 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 2dnx h ILE 15 Cb 0.49 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2dnx h ILE 15 CO 0.02 0.70 -0.09 0.40 0.00 0.00 0.00 178.15 179.19 2dnx h ILE 16 N 0.37 0.00 -0.85 -0.67 2.04 0.22 0.11 117.51 118.73 2dnx h ILE 16 Ca -0.12 -0.12 0.18 0.00 1.00 0.00 0.00 64.86 65.80 2dnx h ILE 16 Cb 1.69 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.61 2dnx h ILE 16 CO 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 178.17 2dnx n GLN 17 N -2.97 -0.08 -0.11 2.37 6.02 0.28 0.18 117.38 123.08 2dnx n GLN 17 Ca -0.03 1.32 -0.10 0.00 -0.01 0.00 0.00 57.00 58.17 2dnx n GLN 17 Cb 0.09 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.35 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dnx h THR 18 N 0.00 1.24 0.23 5.09 2.02 -1.54 -1.79 112.91 118.16 2dnx h THR 18 Ca 0.42 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2dnx h THR 18 Cb 0.68 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2dnx h THR 18 CO -0.86 0.28 -0.43 0.00 0.37 0.00 0.00 175.52 174.88 2dnx h SER 20 N -0.70 -1.33 0.46 0.00 0.87 -0.43 0.53 113.55 112.94 2dnx h SER 20 Ca -0.02 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2dnx h SER 20 Cb 0.66 0.63 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 2dnx h SER 20 CO -0.16 -0.32 -0.47 1.23 -0.53 0.00 0.00 176.83 176.57 2dnx h GLY 21 N -0.20 -1.23 -1.00 5.77 0.00 -0.78 -2.32 103.07 103.32 2dnx h GLY 21 Ca 0.20 0.57 0.13 0.00 0.00 0.00 0.00 47.33 48.24 2dnx h GLY 21 CO -0.68 -0.36 -0.47 3.43 0.00 0.00 0.00 176.54 178.46 2dnx h ASN 22 N -0.93 -1.73 -0.48 0.19 2.35 0.16 0.20 115.58 115.34 2dnx h ASN 22 Ca -0.06 0.32 0.05 0.00 -0.55 0.00 0.00 56.30 56.06 2dnx h ASN 22 Cb 0.81 0.84 -0.07 0.00 0.05 0.00 0.00 38.32 39.95 2dnx h ASN 22 CO -0.07 -0.27 -0.42 0.40 -1.65 0.00 0.00 177.43 175.43 2dnx h ILE 23 N -0.00 0.00 -0.66 2.81 2.04 -0.59 0.12 117.51 121.23 2dnx h ILE 23 Ca 0.27 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 2dnx h ILE 23 Cb 0.52 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 2dnx h ILE 23 CO -0.97 0.00 -0.47 1.56 0.00 0.00 0.00 178.15 178.27 2dnx h GLN 24 N -0.17 -0.10 -0.58 2.37 4.20 -0.10 0.38 115.11 121.11 2dnx h GLN 24 Ca 0.08 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.88 2dnx h GLN 24 Cb 0.38 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.08 2dnx h GLN 24 CO -0.55 -0.06 -0.45 0.00 -0.67 0.00 0.00 178.83 177.10 2dnx h ARG 25 N -0.10 -0.23 -0.41 1.46 -0.00 -0.08 1.44 114.38 116.47 2dnx h ARG 25 Ca 0.11 0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.64 2dnx h ARG 25 Cb 0.38 0.05 -0.06 0.00 0.00 0.00 0.00 29.97 30.34 2dnx h ARG 25 CO -0.67 -0.15 -0.35 0.82 0.00 0.00 0.00 179.97 179.62 2dnx h ILE 26 N -0.24 0.00 -0.81 2.04 2.04 0.12 1.16 117.51 121.82 2dnx h ILE 26 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 2dnx h ILE 26 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 2dnx h ILE 26 CO -0.69 0.00 0.48 0.77 0.00 0.00 0.00 178.15 178.71 2dnx h SER 27 N -0.13 0.73 0.22 1.72 4.64 -0.01 0.02 113.55 120.74 2dnx h SER 27 Ca 0.07 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2dnx h SER 27 Cb 0.31 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2dnx h SER 27 CO -0.45 0.46 -0.22 1.56 -0.87 0.00 0.00 176.83 177.31 2dnx h GLN 28 N 0.86 -0.42 -1.02 4.77 4.20 0.51 0.11 115.11 124.12 2dnx h GLN 28 Ca 0.36 0.03 0.25 0.00 0.06 0.00 0.00 58.65 59.35 2dnx h GLN 28 Cb 0.22 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 2dnx h GLN 28 CO -0.19 -0.28 0.66 0.00 -0.67 0.00 0.00 178.83 178.34 2dnx h ALA 29 N -1.38 2.19 0.00 3.87 0.00 0.14 1.48 119.26 125.55 2dnx h ALA 29 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2dnx h ALA 29 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dnx h ALA 29 CO -0.03 -0.58 -0.19 1.15 0.00 0.00 0.00 179.25 179.60 2dnx h THR 30 N 0.42 0.92 -0.05 0.00 2.02 -0.11 -0.82 112.91 115.29 2dnx h THR 30 Ca 0.58 -0.72 -0.20 0.00 0.77 0.00 0.00 66.41 66.84 2dnx h THR 30 Cb 1.42 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2dnx h THR 30 CO -0.29 0.19 -0.76 0.00 0.37 0.00 0.00 175.52 175.03 2dnx h ALA 31 N 1.81 0.15 -0.05 6.16 0.00 0.46 -3.10 119.26 124.69 2dnx h ALA 31 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2dnx h ALA 31 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dnx h ALA 31 CO 0.03 0.52 0.02 1.96 0.00 0.00 0.00 179.25 181.78 2dnx h GLN 32 N 0.21 0.07 -1.04 0.00 1.08 -0.75 -0.21 115.11 114.47 2dnx h GLN 32 Ca -0.08 -0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.37 2dnx h GLN 32 Cb 1.43 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.75 2dnx h GLN 32 CO 0.15 0.18 0.67 0.82 -0.95 0.00 0.00 178.83 179.69 2dnx h ILE 33 N -0.05 0.52 0.00 2.54 2.04 -1.24 2.30 117.51 123.62 2dnx h ILE 33 Ca 0.02 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 2dnx h ILE 33 Cb 0.13 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2dnx h ILE 33 CO -0.00 0.07 -0.86 0.11 0.00 0.00 0.00 178.15 177.48 2dnx h LYS 34 N 0.40 0.03 0.03 2.37 1.57 -1.32 0.42 116.57 120.07 2dnx h LYS 34 Ca 0.60 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 59.09 2dnx h LYS 34 Cb 1.50 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.84 2dnx h LYS 34 CO -0.31 0.87 -0.98 -0.97 -0.57 0.00 0.00 179.45 177.48 2dnx h ASN 35 N 0.02 0.82 1.29 0.86 -0.73 0.36 -3.07 115.58 115.12 2dnx h ASN 35 Ca -0.02 -0.77 0.00 0.00 1.87 0.00 0.00 56.30 57.39 2dnx h ASN 35 Cb 1.50 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.84 2dnx h ASN 35 CO 0.12 1.48 0.00 0.18 -0.37 0.00 0.00 177.43 178.84 2dnx n LEU 36 N -3.93 0.68 0.23 0.34 4.77 0.67 -3.62 117.00 116.13 2dnx n LEU 36 Ca -0.12 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 2dnx n LEU 36 Cb 0.86 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2dnx n LEU 36 CO 0.54 -0.22 0.58 -0.03 -1.33 0.00 0.00 177.39 176.94 2dnx h MET 37 N 0.00 -0.55 -0.96 3.23 4.05 -0.81 -3.04 114.93 116.85 2dnx h MET 37 Ca 0.00 0.04 0.26 0.00 -0.28 0.00 0.00 59.70 59.72 2dnx h MET 37 Cb 0.64 0.13 -0.18 0.00 -0.80 0.00 0.00 31.60 31.39 2dnx h MET 37 CO 0.00 -0.27 -0.01 0.43 0.23 0.00 0.00 176.91 177.29 2dnx n SER 38 N -5.25 -0.14 -0.39 1.39 7.64 -1.22 0.09 113.62 115.74 2dnx n SER 38 Ca -0.11 1.64 -0.08 0.00 1.01 0.00 0.00 58.87 61.34 2dnx n SER 38 Cb 0.29 -0.59 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 2dnx n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dnx n GLN 39 N -5.45 -0.36 -0.15 1.43 6.02 -1.15 0.87 117.38 118.59 2dnx n GLN 39 Ca 0.22 1.45 -0.07 0.00 -0.01 0.00 0.00 57.00 58.59 2dnx n GLN 39 Cb 0.71 -2.14 0.02 0.00 1.02 0.00 0.00 30.24 29.85 2dnx n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2dnx h LEU 40 N 0.00 0.48 -0.30 1.08 4.07 0.14 -2.31 115.31 118.47 2dnx h LEU 40 Ca 0.21 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.23 2dnx h LEU 40 Cb 0.45 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 2dnx h LEU 40 CO -0.92 0.35 -0.39 1.23 -1.08 0.00 0.00 178.44 177.63 2dnx h GLY 41 N 0.58 -0.50 -4.75 0.83 0.00 0.11 -1.98 103.07 97.36 2dnx h GLY 41 Ca 0.18 0.49 -0.52 0.00 0.00 0.00 0.00 47.33 47.47 2dnx h GLY 41 CO -0.06 -0.20 2.66 -0.37 0.00 0.00 0.00 176.54 178.56 2dnx n THR 42 N -5.42 3.86 -2.48 4.70 5.66 0.11 -4.74 114.28 115.96 2dnx n THR 42 Ca -0.01 -2.22 -0.17 0.00 -3.05 0.00 0.00 64.05 58.59 2dnx n THR 42 Cb 0.35 -2.43 0.02 0.00 -1.55 0.00 0.00 70.33 66.72 2dnx n THR 42 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2dnx n LYS 43 N 3.32 -0.87 -2.82 1.09 0.00 -0.75 -4.94 118.16 113.19 2dnx n LYS 43 Ca 0.67 0.77 -0.01 0.00 -0.00 0.00 0.00 58.31 59.74 2dnx n LYS 43 Cb 0.41 -1.05 0.01 0.00 -0.00 0.00 0.00 35.03 34.40 2dnx n LYS 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2dnx s GLN 44 N -1.25 0.44 -0.01 -1.58 -0.21 -0.90 -4.96 119.66 111.18 2dnx s GLN 44 Ca 0.16 -0.29 -0.10 0.00 0.02 0.00 0.00 55.36 55.15 2dnx s GLN 44 Cb -0.02 0.01 -0.06 0.00 1.00 0.00 0.00 33.01 33.95 2dnx s GLN 44 CO 0.37 -0.58 0.65 -0.44 -2.12 0.00 0.00 175.29 173.17 2dnx h ASP 45 N 5.26 -0.32 -4.73 5.90 3.32 -1.84 -2.49 116.42 121.53 2dnx h ASP 45 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2dnx h ASP 45 Cb 1.19 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2dnx h ASP 45 CO -0.04 -0.09 -0.97 -1.20 -1.72 0.00 0.00 179.24 175.22 2dnx n SER 46 N -3.79 -7.60 -0.16 6.45 7.64 -1.26 -3.78 113.62 111.12 2dnx n SER 46 Ca -0.05 1.73 -0.05 0.00 1.01 0.00 0.00 58.87 61.51 2dnx n SER 46 Cb 0.15 -4.88 0.01 0.00 -1.01 0.00 0.00 64.21 58.47 2dnx n SER 46 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dnx h SER 47 N 4.29 -1.00 -0.36 6.43 0.02 -1.99 0.28 113.55 121.22 2dnx h SER 47 Ca -0.07 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 2dnx h SER 47 Cb 0.16 0.50 -0.09 0.00 0.14 0.00 0.00 62.40 63.12 2dnx h SER 47 CO 0.00 -0.29 -0.27 0.11 -1.14 0.00 0.00 176.83 175.24 2dnx h LYS 48 N -0.17 -0.21 0.00 3.45 1.57 -1.98 0.37 116.57 119.59 2dnx h LYS 48 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2dnx h LYS 48 Cb 0.52 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dnx h LYS 48 CO -0.60 -0.14 0.00 1.28 -0.57 0.00 0.00 179.45 179.42 2dnx n LEU 49 N -5.40 0.00 -0.29 2.94 7.99 -0.00 -0.41 117.00 121.83 2dnx n LEU 49 Ca 0.01 0.90 0.10 0.00 -0.01 0.00 0.00 56.01 57.00 2dnx n LEU 49 Cb 0.32 -0.40 0.23 0.00 -0.11 0.00 0.00 43.42 43.46 2dnx n LEU 49 CO 0.10 -0.40 0.85 1.56 -1.51 0.00 0.00 177.39 178.00 2dnx h GLN 50 N 0.00 0.11 -0.83 3.23 4.20 -0.97 1.46 115.11 122.32 2dnx h GLN 50 Ca 0.00 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.91 2dnx h GLN 50 Cb 0.00 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2dnx h GLN 50 CO 0.00 0.07 0.57 0.93 -0.67 0.00 0.00 178.83 179.74 2dnx h GLU 51 N 0.12 0.20 0.11 1.46 4.39 0.13 -0.53 114.58 120.45 2dnx h GLU 51 Ca 0.50 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 2dnx h GLU 51 Cb 0.96 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2dnx h GLU 51 CO -0.72 0.13 -0.05 -0.97 -1.16 0.00 0.00 179.01 176.24 2dnx h ASN 52 N 0.20 -0.13 -0.89 1.42 -0.73 0.48 -2.21 115.58 113.73 2dnx h ASN 52 Ca 0.41 -0.44 0.10 0.00 1.87 0.00 0.00 56.30 58.25 2dnx h ASN 52 Cb 1.30 0.03 -0.13 0.00 0.27 0.00 0.00 38.32 39.80 2dnx h ASN 52 CO -0.09 0.44 -0.51 -0.07 -0.37 0.00 0.00 177.43 176.83 2dnx h LEU 53 N -0.77 -1.86 -1.55 0.34 3.38 -0.28 1.86 115.31 116.42 2dnx h LEU 53 Ca -0.02 0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2dnx h LEU 53 Cb 0.56 0.85 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2dnx h LEU 53 CO 0.02 -0.27 0.34 1.56 0.09 0.00 0.00 178.44 180.18 2dnx h GLN 54 N -0.06 0.58 0.00 1.13 4.20 -1.47 0.70 115.11 120.19 2dnx h GLN 54 Ca 0.20 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2dnx h GLN 54 Cb 0.50 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2dnx h GLN 54 CO -0.89 0.38 -0.43 -0.56 -0.67 0.00 0.00 178.83 176.66 2dnx h GLN 55 N 0.60 0.00 0.00 1.46 3.07 0.26 0.30 115.11 120.79 2dnx h GLN 55 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.78 2dnx h GLN 55 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 2dnx h GLN 55 CO -0.05 0.43 -1.20 -0.07 0.09 0.00 0.00 178.83 178.02 2dnx h LEU 56 N 0.00 0.00 0.01 0.06 3.38 0.44 -3.12 115.31 116.08 2dnx h LEU 56 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dnx h LEU 56 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dnx h LEU 56 CO 0.06 0.58 -0.16 1.56 0.09 0.00 0.00 178.44 180.56 2dnx h GLN 57 N 0.00 0.03 0.26 1.13 4.20 0.57 -3.10 115.11 118.20 2dnx h GLN 57 Ca -0.12 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.54 2dnx h GLN 57 Cb 1.55 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 2dnx h GLN 57 CO 0.05 1.02 -0.33 1.25 -0.67 0.00 0.00 178.83 180.16 2dnx h HIS 58 N -0.94 -0.88 -0.56 2.96 2.76 -0.57 0.86 115.15 118.77 2dnx h HIS 58 Ca -0.04 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.24 2dnx h HIS 58 Cb 1.08 0.35 -0.11 0.00 1.55 0.00 0.00 27.41 30.28 2dnx h HIS 58 CO 0.26 -0.45 -0.34 0.77 -1.30 0.00 0.00 177.93 176.86 2dnx h SER 59 N -0.64 -1.18 -0.57 3.26 0.02 -1.70 0.15 113.55 112.89 2dnx h SER 59 Ca -0.00 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2dnx h SER 59 Cb 0.60 0.58 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2dnx h SER 59 CO -0.11 -0.31 0.29 0.74 -1.14 0.00 0.00 176.83 176.30 2dnx h THR 60 N -0.18 1.20 -0.16 -2.27 2.02 -1.37 -1.47 112.91 110.68 2dnx h THR 60 Ca 0.22 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.88 2dnx h THR 60 Cb 0.55 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2dnx h THR 60 CO -0.66 0.22 -0.39 -1.13 0.37 0.00 0.00 175.52 173.93 2dnx h ASN 61 N 0.77 -1.26 0.12 4.18 -1.24 0.33 0.18 115.58 118.68 2dnx h ASN 61 Ca 0.20 0.15 0.02 0.00 0.71 0.00 0.00 56.30 57.38 2dnx h ASN 61 Cb 0.09 0.50 -0.04 0.00 0.73 0.00 0.00 38.32 39.59 2dnx h ASN 61 CO -0.03 -0.32 -0.41 1.56 -1.29 0.00 0.00 177.43 176.94 2dnx h GLN 62 N -0.37 -0.62 -0.98 6.67 4.20 -0.89 -1.62 115.11 121.50 2dnx h GLN 62 Ca 0.03 0.04 0.18 0.00 0.06 0.00 0.00 58.65 58.96 2dnx h GLN 62 Cb 0.46 0.14 -0.17 0.00 0.30 0.00 0.00 27.48 28.21 2dnx h GLN 62 CO -0.35 -0.41 -0.30 1.28 -0.67 0.00 0.00 178.83 178.37 2dnx n LEU 63 N -5.46 -0.47 0.03 1.46 4.77 -0.56 0.94 117.00 117.71 2dnx n LEU 63 Ca -0.07 1.69 -0.11 0.00 -0.03 0.00 0.00 56.01 57.49 2dnx n LEU 63 Cb 0.37 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2dnx n LEU 63 CO 0.20 -1.58 0.68 0.00 -1.33 0.00 0.00 177.39 175.36 2dnx h ALA 64 N 1.70 -0.34 -1.00 -1.18 0.00 0.25 1.03 119.26 119.71 2dnx h ALA 64 Ca 0.41 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.49 2dnx h ALA 64 Cb 0.66 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2dnx h ALA 64 CO -0.99 -0.77 0.62 0.87 0.00 0.00 0.00 179.25 178.98 2dnx h LYS 65 N -0.39 0.82 -0.14 0.00 1.57 0.14 0.87 116.57 119.44 2dnx h LYS 65 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2dnx h LYS 65 Cb 0.50 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2dnx h LYS 65 CO -0.28 0.55 -0.07 0.93 -0.57 0.00 0.00 179.45 180.00 2dnx h GLU 66 N 0.85 0.31 -0.30 3.15 5.08 0.20 -2.50 114.58 121.36 2dnx h GLU 66 Ca 0.53 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2dnx h GLU 66 Cb 0.73 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2dnx h GLU 66 CO -0.32 0.64 -0.10 1.15 -1.00 0.00 0.00 179.01 179.38 2dnx h THR 67 N -0.03 0.65 -0.06 1.13 2.02 0.26 0.88 112.91 117.76 2dnx h THR 67 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 2dnx h THR 67 Cb 0.55 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2dnx h THR 67 CO 0.02 0.00 -0.27 -1.13 0.37 0.00 0.00 175.52 174.51 2dnx h ASN 68 N -0.04 -0.81 0.82 4.18 -1.24 -0.89 1.11 115.58 118.72 2dnx h ASN 68 Ca 0.15 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.24 2dnx h ASN 68 Cb 0.26 0.34 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2dnx h ASN 68 CO -0.33 -0.33 -0.46 -0.33 -1.29 0.00 0.00 177.43 174.69 2dnx h GLU 69 N -0.38 -1.14 -0.98 6.67 5.08 -0.90 0.25 114.58 123.18 2dnx h GLU 69 Ca 0.08 0.08 0.21 0.00 -1.00 0.00 0.00 59.36 58.73 2dnx h GLU 69 Cb 0.49 0.26 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 2dnx h GLU 69 CO -0.27 -0.76 0.57 -0.07 -1.00 0.00 0.00 179.01 177.48 2dnx h LEU 70 N -1.18 0.68 -1.40 1.33 3.38 0.10 1.93 115.31 120.15 2dnx h LEU 70 Ca -0.11 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dnx h LEU 70 Cb 0.93 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2dnx h LEU 70 CO 0.14 0.17 -0.07 -0.07 0.09 0.00 0.00 178.44 178.70 2dnx h LEU 71 N 0.64 0.00 0.00 1.67 3.38 0.18 -0.70 115.31 120.49 2dnx h LEU 71 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2dnx h LEU 71 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dnx h LEU 71 CO -0.43 0.07 -0.15 0.11 0.09 0.00 0.00 178.44 178.13 2dnx h LYS 72 N 0.00 0.00 0.07 1.13 1.57 0.65 -3.27 116.57 116.72 2dnx h LYS 72 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2dnx h LYS 72 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2dnx h LYS 72 CO 0.01 0.00 -2.01 0.39 -0.57 0.00 0.00 179.45 177.27 2dnx n GLU 73 N -2.63 0.71 0.02 3.15 -0.58 -0.11 -3.48 120.64 117.72 2dnx n GLU 73 Ca 0.04 0.24 -0.16 0.00 -0.42 0.00 0.00 57.16 56.87 2dnx n GLU 73 Cb 0.48 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 2dnx n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dnx h LEU 74 N 0.04 -1.71 -1.20 -4.62 3.38 -1.22 0.34 115.31 110.31 2dnx h LEU 74 Ca -0.42 0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2dnx h LEU 74 Cb 2.03 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 43.39 2dnx h LEU 74 CO 0.06 -0.50 0.52 1.23 0.09 0.00 0.00 178.44 179.84 2dnx h GLY 75 N -0.63 1.13 0.28 0.83 0.00 -1.76 -1.92 103.07 101.01 2dnx h GLY 75 Ca 0.02 -0.43 0.14 0.00 0.00 0.00 0.00 47.33 47.07 2dnx h GLY 75 CO -0.40 0.42 0.48 1.76 0.00 0.00 0.00 176.54 178.80 2dnx h SER 76 N 1.09 0.62 -2.53 0.19 0.02 -1.15 -3.42 113.55 108.37 2dnx h SER 76 Ca 0.29 0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.75 2dnx h SER 76 Cb -0.12 -0.03 0.20 0.00 0.14 0.00 0.00 62.40 62.59 2dnx h SER 76 CO -0.06 0.28 -0.98 0.18 -1.14 0.00 0.00 176.83 175.11 2dnx n LEU 77 N -4.81 -2.22 0.00 5.07 4.77 -0.05 -4.96 117.00 114.79 2dnx n LEU 77 Ca 0.17 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2dnx n LEU 77 Cb 0.42 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2dnx n LEU 77 CO 0.23 -4.33 0.00 -0.81 -1.33 0.00 0.00 177.39 171.15 2dnx n PRO 78 N 0.74 -0.46 -4.46 3.23 -0.04 -1.26 -5.04 135.00 127.71 2dnx n PRO 78 Ca 0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.30 2dnx n PRO 78 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.20 0.82 1.53 1.43 -1.26 -5.09 118.68 118.31 2dnx s LEU 79 Ca 0.00 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 2dnx s LEU 79 Cb 0.00 -0.81 0.08 0.00 0.03 0.00 0.00 46.19 45.50 2dnx s LEU 79 CO 0.00 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.61 2dnx s PRO 80 N -1.32 1.90 0.30 1.29 0.04 -1.26 -4.96 135.00 131.00 2dnx s PRO 80 Ca 0.05 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.71 2dnx s PRO 80 Cb -0.09 -1.90 0.49 0.00 0.04 0.00 0.00 34.50 33.04 2dnx s PRO 80 CO 0.02 -1.73 1.75 -0.07 0.04 0.00 0.00 177.00 177.01 2dnx h LEU 81 N -1.17 0.34 -9.93 -3.56 -0.00 -2.02 -3.43 115.31 95.54 2dnx h LEU 81 Ca -0.48 -0.12 -0.49 0.00 -0.00 0.00 0.00 57.88 56.79 2dnx h LEU 81 Cb 1.28 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 2dnx h LEU 81 CO 0.60 0.63 0.18 -0.44 -0.00 0.00 0.00 178.44 179.40 2dnx s SER 82 N -6.85 7.00 -0.02 -0.43 0.01 -1.26 -4.99 113.70 107.17 2dnx s SER 82 Ca -0.06 1.48 -0.12 0.00 1.31 0.00 0.00 55.95 58.57 2dnx s SER 82 Cb 0.14 -2.45 -0.32 0.00 0.21 0.00 0.00 66.02 63.60 2dnx s SER 82 CO 0.77 -0.11 0.79 0.74 0.41 0.00 0.00 173.24 175.84 2dnx h THR 83 N 2.38 1.06 -1.35 1.44 2.02 -2.00 -3.11 112.91 113.35 2dnx h THR 83 Ca -0.48 -2.60 0.39 0.00 0.77 0.00 0.00 66.41 64.50 2dnx h THR 83 Cb 1.19 2.85 -0.06 0.00 -1.74 0.00 0.00 68.15 70.38 2dnx h THR 83 CO 0.65 0.84 0.96 -1.28 0.37 0.00 0.00 175.52 177.06 2dnx h SER 84 N 0.12 0.04 0.22 4.18 0.87 -1.97 0.72 113.55 117.72 2dnx h SER 84 Ca -0.31 0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 59.91 2dnx h SER 84 Cb 2.12 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 64.08 2dnx h SER 84 CO 0.21 -0.00 -1.79 -0.33 -0.53 0.00 0.00 176.83 174.38 2dnx h GLU 85 N 0.03 0.33 -0.85 2.24 4.39 -1.96 -3.17 114.58 115.59 2dnx h GLU 85 Ca 0.66 -0.57 0.15 0.00 0.34 0.00 0.00 59.36 59.94 2dnx h GLU 85 Cb 2.55 0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 31.32 2dnx h GLU 85 CO -0.05 1.24 0.42 1.96 -1.16 0.00 0.00 179.01 181.43 2dnx h GLN 86 N 0.09 0.57 0.41 2.33 4.20 0.46 0.16 115.11 123.33 2dnx h GLN 86 Ca -0.35 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 2dnx h GLN 86 Cb 2.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.73 2dnx h GLN 86 CO 0.15 0.38 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.40 2dnx h ARG 87 N 0.59 -0.53 -1.55 1.46 9.65 -1.28 -2.15 114.38 120.57 2dnx h ARG 87 Ca 0.47 0.04 0.45 0.00 -1.10 0.00 0.00 59.98 59.84 2dnx h ARG 87 Cb 0.69 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.32 2dnx h ARG 87 CO -0.38 -0.35 1.11 1.96 2.80 0.00 0.00 179.97 185.11 2dnx h GLN 88 N -0.85 0.01 0.13 0.20 1.08 -1.46 1.16 115.11 115.39 2dnx h GLN 88 Ca -0.06 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2dnx h GLN 88 Cb 0.42 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dnx h GLN 88 CO 0.09 0.01 -0.06 1.96 -0.95 0.00 0.00 178.83 179.88 2dnx h GLN 89 N 0.01 -0.17 -0.74 1.46 4.20 -0.59 -2.51 115.11 116.77 2dnx h GLN 89 Ca 0.75 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.56 2dnx h GLN 89 Cb 2.95 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 30.72 2dnx h GLN 89 CO -0.04 -0.11 0.49 0.07 -0.67 0.00 0.00 178.83 178.56 2dnx h ARG 90 N -0.31 0.66 -0.29 1.46 0.11 -0.44 -1.18 114.38 114.39 2dnx h ARG 90 Ca -0.02 -0.04 0.06 0.00 0.10 0.00 0.00 59.98 60.08 2dnx h ARG 90 Cb 0.14 -0.15 -0.05 0.00 1.11 0.00 0.00 29.97 31.01 2dnx h ARG 90 CO 0.03 0.44 -0.06 -0.07 0.10 0.00 0.00 179.97 180.41 2dnx h LEU 91 N 0.68 -0.25 0.03 0.08 3.38 0.12 0.66 115.31 120.02 2dnx h LEU 91 Ca 0.33 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 2dnx h LEU 91 Cb 0.40 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dnx h LEU 91 CO -0.12 -0.09 -0.01 1.56 0.09 0.00 0.00 178.44 179.87 2dnx h GLN 92 N 0.01 -0.03 0.11 1.13 1.08 -0.78 -1.20 115.11 115.43 2dnx h GLN 92 Ca 0.14 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2dnx h GLN 92 Cb 0.21 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 2dnx h GLN 92 CO -0.29 0.01 -0.30 -0.22 -0.95 0.00 0.00 178.83 177.08 2dnx h LYS 93 N -0.07 -0.50 -0.56 1.46 3.64 -0.72 0.81 116.57 120.64 2dnx h LYS 93 Ca -0.00 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2dnx h LYS 93 Cb 0.06 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.88 2dnx h LYS 93 CO 0.01 -0.33 -0.24 0.93 -2.27 0.00 0.00 179.45 177.54 2dnx h GLU 94 N -0.52 -0.10 -0.35 1.90 4.39 0.47 0.91 114.58 121.28 2dnx h GLU 94 Ca 0.03 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2dnx h GLU 94 Cb 0.55 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2dnx h GLU 94 CO -0.18 -0.07 0.16 0.00 -1.16 0.00 0.00 179.01 177.76 2dnx h ARG 95 N -0.11 0.51 -0.62 2.33 -0.00 -0.59 -0.45 114.38 115.47 2dnx h ARG 95 Ca 0.25 -0.08 0.06 0.00 -0.50 0.00 0.00 59.98 59.71 2dnx h ARG 95 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 29.97 30.35 2dnx h ARG 95 CO -0.63 0.48 0.41 -0.07 0.00 0.00 0.00 179.97 180.16 2dnx h LEU 96 N 0.42 0.53 -0.31 3.04 3.38 0.26 0.71 115.31 123.35 2dnx h LEU 96 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2dnx h LEU 96 Cb 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dnx h LEU 96 CO -0.01 0.35 -0.42 0.24 0.09 0.00 0.00 178.44 178.69 2dnx h MET 97 N 0.61 0.82 0.23 1.13 2.86 0.14 -1.40 114.93 119.33 2dnx h MET 97 Ca 0.27 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2dnx h MET 97 Cb 0.27 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2dnx h MET 97 CO -0.08 1.11 -0.11 -0.91 1.06 0.00 0.00 176.91 177.98 2dnx h ASN 98 N 0.59 -0.27 -0.45 1.22 2.35 0.16 -2.58 115.58 116.61 2dnx h ASN 98 Ca 0.03 -0.26 0.09 0.00 -0.55 0.00 0.00 56.30 55.61 2dnx h ASN 98 Cb 1.01 0.07 -0.10 0.00 0.05 0.00 0.00 38.32 39.35 2dnx h ASN 98 CO 0.10 0.21 -0.25 0.44 -1.65 0.00 0.00 177.43 176.28 2dnx h ASP 99 N -0.84 -0.84 -0.95 5.81 5.19 0.30 0.24 116.42 125.34 2dnx h ASP 99 Ca -0.03 0.18 0.18 0.00 -0.62 0.00 0.00 57.03 56.74 2dnx h ASP 99 Cb 0.51 0.44 -0.11 0.00 0.18 0.00 0.00 39.33 40.35 2dnx h ASP 99 CO 0.05 -0.27 0.54 0.15 -3.12 0.00 0.00 179.24 176.59 2dnx h PHE 100 N -0.16 0.94 0.49 4.55 3.57 -1.29 -1.10 116.94 123.95 2dnx h PHE 100 Ca 0.21 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dnx h PHE 100 Cb 0.49 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2dnx h PHE 100 CO -0.50 0.18 -0.26 1.03 -2.23 0.00 0.00 178.31 176.53 2dnx h SER 101 N 0.68 -0.62 -1.01 0.41 0.87 -0.14 0.82 113.55 114.55 2dnx h SER 101 Ca 0.55 0.03 0.25 0.00 -1.23 0.00 0.00 61.79 61.38 2dnx h SER 101 Cb 0.86 0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 2dnx h SER 101 CO -0.40 -0.43 0.66 0.00 -0.53 0.00 0.00 176.83 176.13 2dnx h ALA 102 N -0.20 2.23 0.04 6.23 0.00 -0.07 1.08 119.26 128.58 2dnx h ALA 102 Ca -0.06 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2dnx h ALA 102 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2dnx h ALA 102 CO 0.09 -0.61 -1.01 0.00 0.00 0.00 0.00 179.25 177.73 2dnx h ALA 103 N 1.61 0.35 0.53 0.00 0.00 -0.41 -2.97 119.26 118.37 2dnx h ALA 103 Ca 0.56 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2dnx h ALA 103 Cb 1.42 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dnx h ALA 103 CO -0.26 0.97 -0.25 1.25 0.00 0.00 0.00 179.25 180.96 2dnx h LEU 104 N 0.10 -0.60 -0.99 0.00 5.85 0.78 -2.73 115.31 117.72 2dnx h LEU 104 Ca -0.07 0.02 0.32 0.00 0.84 0.00 0.00 57.88 58.99 2dnx h LEU 104 Cb 1.69 0.15 -0.15 0.00 0.37 0.00 0.00 40.66 42.73 2dnx h LEU 104 CO 0.16 -0.26 0.51 -1.13 -0.34 0.00 0.00 178.44 177.38 2dnx h ASN 105 N -1.05 0.40 0.12 1.25 -0.73 0.38 0.50 115.58 116.46 2dnx h ASN 105 Ca -0.07 0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.32 2dnx h ASN 105 Cb 0.54 0.18 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 2dnx h ASN 105 CO 0.12 -0.18 -0.33 -1.13 -0.37 0.00 0.00 177.43 175.54 2dnx h ASN 106 N 0.26 -0.96 -0.68 1.15 -0.73 -1.44 0.93 115.58 114.12 2dnx h ASN 106 Ca 0.72 0.11 0.10 0.00 1.87 0.00 0.00 56.30 59.10 2dnx h ASN 106 Cb 1.67 0.36 -0.07 0.00 0.27 0.00 0.00 38.32 40.54 2dnx h ASN 106 CO -0.64 -0.42 0.30 0.15 -0.37 0.00 0.00 177.43 176.45 2dnx h PHE 107 N -0.55 0.53 0.37 0.67 3.57 0.26 -0.80 116.94 120.99 2dnx h PHE 107 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2dnx h PHE 107 Cb 0.59 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2dnx h PHE 107 CO -0.30 0.16 -0.28 1.96 -2.23 0.00 0.00 178.31 177.62 2dnx h GLN 108 N 0.51 -0.60 -0.55 1.11 4.20 -0.37 1.44 115.11 120.85 2dnx h GLN 108 Ca 0.34 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.25 2dnx h GLN 108 Cb 0.41 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2dnx h GLN 108 CO -0.30 -0.40 0.70 0.00 -0.67 0.00 0.00 178.83 178.16 2dnx h ALA 109 N -1.41 2.30 0.20 3.87 0.00 -0.59 1.22 119.26 124.86 2dnx h ALA 109 Ca -0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 2dnx h ALA 109 Cb 0.51 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2dnx h ALA 109 CO 0.02 -0.98 -1.70 0.28 0.00 0.00 0.00 179.25 176.87 2dnx h VAL 110 N 0.00 1.01 -0.83 0.00 2.07 0.29 -3.06 116.25 115.72 2dnx h VAL 110 Ca 0.26 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 65.26 2dnx h VAL 110 Cb 1.65 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 34.19 2dnx h VAL 110 CO -0.00 0.85 0.55 0.06 0.02 0.00 0.00 177.57 179.04 2dnx h GLN 111 N 0.11 0.98 0.57 1.57 3.07 1.13 -1.08 115.11 121.47 2dnx h GLN 111 Ca -0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.33 2dnx h GLN 111 Cb 2.11 -0.22 0.01 0.00 0.08 0.00 0.00 27.48 29.46 2dnx h GLN 111 CO 0.20 0.65 -0.27 -0.09 0.09 0.00 0.00 178.83 179.41 2dnx h ARG 112 N 1.01 -0.73 -1.02 0.06 1.12 -1.13 -2.15 114.38 111.53 2dnx h ARG 112 Ca 0.33 0.05 0.30 0.00 -1.11 0.00 0.00 59.98 59.55 2dnx h ARG 112 Cb 0.06 0.17 -0.13 0.00 -0.01 0.00 0.00 29.97 30.05 2dnx h ARG 112 CO -0.10 -0.45 0.60 0.00 -3.11 0.00 0.00 179.97 176.91 2dnx h ARG 113 N -1.14 0.40 0.38 0.20 3.08 -1.40 0.27 114.38 116.16 2dnx h ARG 113 Ca -0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2dnx h ARG 113 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2dnx h ARG 113 CO 0.13 0.26 -0.18 0.28 -1.07 0.00 0.00 179.97 179.39 2dnx h VAL 114 N 0.41 0.64 -0.96 2.04 2.07 -1.12 0.90 116.25 120.22 2dnx h VAL 114 Ca 0.70 -0.16 0.20 0.00 0.82 0.00 0.00 66.70 68.25 2dnx h VAL 114 Cb 1.55 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 2dnx h VAL 114 CO -0.52 0.03 0.61 0.28 0.02 0.00 0.00 177.57 178.00 2dnx h SER 115 N -0.60 0.60 0.36 0.57 0.02 0.13 0.80 113.55 115.43 2dnx h SER 115 Ca -0.05 0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 2dnx h SER 115 Cb 0.44 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.95 2dnx h SER 115 CO 0.09 0.22 -1.06 -0.08 -1.14 0.00 0.00 176.83 174.86 2dnx h GLU 116 N 0.59 0.42 -0.60 3.45 4.81 -0.52 -1.84 114.58 120.89 2dnx h GLU 116 Ca 0.53 -0.52 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2dnx h GLU 116 Cb 1.05 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2dnx h GLU 116 CO -0.28 1.18 0.03 -0.22 -0.73 0.00 0.00 179.01 178.99 2dnx h LYS 117 N 0.21 1.04 0.00 1.92 1.63 0.40 -1.27 116.57 120.50 2dnx h LYS 117 Ca -0.11 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2dnx h LYS 117 Cb 1.72 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.25 2dnx h LYS 117 CO 0.19 1.01 0.00 0.93 -3.45 0.00 0.00 179.45 178.13 2dnx h GLU 118 N 0.94 0.00 0.03 1.90 4.39 0.42 -3.08 114.58 119.18 2dnx h GLU 118 Ca 0.17 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2dnx h GLU 118 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2dnx h GLU 118 CO 0.03 0.00 -0.01 -0.22 -1.16 0.00 0.00 179.01 177.64 2dnx h LYS 119 N 0.00 -0.04 -0.61 2.33 3.64 -0.53 -3.14 116.57 118.22 2dnx h LYS 119 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2dnx h LYS 119 Cb 0.67 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 2dnx h LYS 119 CO 0.00 0.66 0.20 0.93 -2.27 0.00 0.00 179.45 178.98 2dnx h GLU 120 N -0.90 0.35 -0.02 1.90 5.08 -1.28 0.63 114.58 120.35 2dnx h GLU 120 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dnx h GLU 120 Cb 0.72 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2dnx h GLU 120 CO 0.01 0.23 -0.20 0.77 -1.00 0.00 0.00 179.01 178.82 2dnx h SER 121 N 0.37 -0.63 0.27 1.42 0.02 -1.63 -3.19 113.55 110.17 2dnx h SER 121 Ca 0.32 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2dnx h SER 121 Cb 0.42 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2dnx h SER 121 CO -0.34 -0.19 -0.14 0.40 -1.14 0.00 0.00 176.83 175.42 2dnx h ILE 122 N -0.24 0.00 -2.94 3.27 2.04 -1.43 -3.49 117.51 114.71 2dnx h ILE 122 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2dnx h ILE 122 Cb 0.27 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2dnx h ILE 122 CO -0.14 0.00 -0.80 0.00 0.00 0.00 0.00 178.15 177.21 2dnx n ALA 123 N -2.21 -1.80 0.35 1.87 0.00 0.22 -4.69 120.51 114.24 2dnx n ALA 123 Ca -0.05 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 2dnx n ALA 123 Cb 0.15 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 2dnx n ALA 123 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2dnx h ARG 124 N -0.01 -0.96 -6.01 0.00 9.65 -1.92 -3.42 114.38 111.72 2dnx h ARG 124 Ca -0.02 0.07 -0.84 0.00 -1.10 0.00 0.00 59.98 58.09 2dnx h ARG 124 Cb 0.81 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2dnx h ARG 124 CO 0.01 -0.64 0.89 0.43 2.80 0.00 0.00 179.97 183.46 2dnx n SER 125 N -5.54 1.18 -4.72 -3.80 7.64 -1.26 -4.86 113.62 102.26 2dnx n SER 125 Ca -0.13 1.03 -0.32 0.00 1.01 0.00 0.00 58.87 60.46 2dnx n SER 125 Cb 0.43 -0.91 0.12 0.00 -1.01 0.00 0.00 64.21 62.84 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 3.93 1.80 0.74 0.23 0.00 -1.26 -5.01 107.32 107.76 2dnx s GLY 126 Ca 1.09 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 46.20 2dnx s GLY 126 CO 0.76 0.89 1.08 2.56 0.00 0.00 0.00 173.10 178.39 2dnx s PRO 127 N -4.61 2.59 -0.28 2.90 0.04 -1.26 -5.05 135.00 129.33 2dnx s PRO 127 Ca 0.66 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.55 2dnx s PRO 127 Cb -0.21 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.43 2dnx s PRO 127 CO 0.54 -1.31 -0.07 -1.54 0.04 0.00 0.00 177.00 174.66 2dnx s SER 128 N -3.84 4.54 -0.12 6.66 1.04 -1.26 -4.91 113.70 115.81 2dnx s SER 128 Ca 0.59 -1.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.40 2dnx s SER 128 Cb -0.14 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.44 2dnx s SER 128 CO 0.55 -0.23 0.16 -0.24 0.98 0.00 0.00 173.24 174.46 2dnx n SER 129 N 4.41 -1.90 0.00 7.02 2.88 -1.26 -5.36 113.62 119.40 2dnx n SER 129 Ca -0.10 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2dnx n SER 129 Cb 0.42 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42