#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 -4.40 -4.36 1.61 2.88 -1.26 -5.08 113.62 103.01 2dnx n SER 2 Ca 0.00 -0.04 -0.19 0.00 -1.33 0.00 0.00 58.87 57.31 2dnx n SER 2 Cb 0.00 -2.79 -0.10 0.00 -0.75 0.00 0.00 64.21 60.57 2dnx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnx s SER 3 N -2.45 2.62 0.00 -3.46 0.01 -1.26 -5.02 113.70 104.15 2dnx s SER 3 Ca 0.01 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2dnx s SER 3 Cb -0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2dnx s SER 3 CO 0.31 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2dnx n GLY 4 N -0.42 2.37 3.44 3.44 0.00 -1.26 -4.84 105.19 107.92 2dnx n GLY 4 Ca -0.07 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.33 -0.28 1.61 1.04 -1.26 -5.00 113.70 109.48 2dnx s SER 5 Ca 0.00 0.48 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 2dnx s SER 5 Cb 0.00 1.29 0.11 0.00 0.10 0.00 0.00 66.02 67.52 2dnx s SER 5 CO 0.00 -0.07 0.90 -0.94 0.98 0.00 0.00 173.24 174.11 2dnx s SER 6 N 1.83 -0.60 0.40 7.02 1.04 -1.26 -5.14 113.70 116.99 2dnx s SER 6 Ca -0.04 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2dnx s SER 6 Cb -0.03 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.24 2dnx s SER 6 CO -0.15 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2dnx n GLY 7 N 3.05 0.92 2.48 7.32 0.00 -1.26 -3.96 105.19 113.75 2dnx n GLY 7 Ca -0.16 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2dnx n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dnx n GLN 8 N 0.00 2.53 -3.26 1.61 -0.06 -1.26 -5.08 117.38 111.86 2dnx n GLN 8 Ca 0.00 -3.85 -0.32 0.00 -2.00 0.00 0.00 57.00 50.83 2dnx n GLN 8 Cb 0.00 -1.87 -0.06 0.00 -4.06 0.00 0.00 30.24 24.25 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2dnx s LEU 9 N -3.58 4.13 -1.08 1.69 2.01 -1.25 -4.95 118.68 115.64 2dnx s LEU 9 Ca 0.38 1.12 -0.23 0.00 0.01 0.00 0.00 54.13 55.42 2dnx s LEU 9 Cb 0.39 -3.87 -0.12 0.00 0.01 0.00 0.00 46.19 42.60 2dnx s LEU 9 CO -0.02 -0.13 1.94 0.54 1.01 0.00 0.00 176.35 179.68 2dnx n ARG 10 N -0.19 1.44 -3.18 1.70 1.74 -1.26 -4.85 116.66 112.06 2dnx n ARG 10 Ca 0.02 -2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 54.49 2dnx n ARG 10 Cb 0.53 -3.58 -0.06 0.00 -1.02 0.00 0.00 32.46 28.33 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 6.36 6.81 0.14 0.55 1.01 -1.26 -4.84 116.67 125.45 2dnx s ASP 11 Ca 0.67 1.24 -0.21 0.00 0.71 0.00 0.00 52.55 54.97 2dnx s ASP 11 Cb 0.02 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.62 2dnx s ASP 11 CO 0.14 -0.13 1.22 0.33 0.21 0.00 0.00 175.17 176.94 2dnx n PHE 12 N -0.07 -0.23 -0.23 4.23 -0.00 -1.26 0.19 117.46 120.09 2dnx n PHE 12 Ca 0.02 0.98 0.01 0.00 -0.00 0.00 0.00 57.45 58.45 2dnx n PHE 12 Cb 0.53 -0.64 0.12 0.00 -0.00 0.00 0.00 39.48 39.49 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 0.38 0.02 -2.13 0.02 -1.93 1.11 113.55 111.01 2dnx h SER 13 Ca 0.17 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2dnx h SER 13 Cb 0.37 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2dnx h SER 13 CO -0.75 0.22 -0.01 0.28 -1.14 0.00 0.00 176.83 175.42 2dnx h SER 14 N 0.53 0.00 0.69 3.07 0.02 0.17 -0.38 113.55 117.65 2dnx h SER 14 Ca 0.33 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.02 2dnx h SER 14 Cb 0.36 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2dnx h SER 14 CO -0.27 0.01 -1.43 0.40 -1.14 0.00 0.00 176.83 174.40 2dnx h ILE 15 N 0.00 1.20 0.36 3.27 2.04 0.32 -3.28 117.51 121.42 2dnx h ILE 15 Ca -0.00 -2.99 -0.02 0.00 1.00 0.00 0.00 64.86 62.85 2dnx h ILE 15 Cb 0.03 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2dnx h ILE 15 CO 0.00 0.69 -0.17 0.40 0.00 0.00 0.00 178.15 179.07 2dnx h ILE 16 N 0.00 0.00 -0.87 -0.67 1.08 0.27 0.10 117.51 117.43 2dnx h ILE 16 Ca -0.18 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.38 2dnx h ILE 16 Cb 1.92 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.54 2dnx h ILE 16 CO 0.10 0.00 -0.51 1.56 -0.69 0.00 0.00 178.15 178.61 2dnx h GLN 17 N -0.50 -0.08 -0.75 2.37 1.08 -1.42 0.84 115.11 116.65 2dnx h GLN 17 Ca -0.05 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.29 2dnx h GLN 17 Cb 0.37 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.72 2dnx h GLN 17 CO 0.08 -0.05 0.32 1.15 -0.95 0.00 0.00 178.83 179.38 2dnx h THR 18 N -0.08 0.69 0.18 -0.54 2.02 -1.61 0.43 112.91 114.00 2dnx h THR 18 Ca 0.20 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2dnx h THR 18 Cb 0.50 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2dnx h THR 18 CO -0.88 0.09 -0.09 0.00 0.37 0.00 0.00 175.52 175.01 2dnx h SER 20 N -0.28 -1.33 -0.43 0.00 0.87 0.19 -1.54 113.55 111.05 2dnx h SER 20 Ca -0.03 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2dnx h SER 20 Cb 0.21 0.46 -0.09 0.00 -0.44 0.00 0.00 62.40 62.54 2dnx h SER 20 CO 0.04 -0.57 -0.51 1.23 -0.53 0.00 0.00 176.83 176.49 2dnx h GLY 21 N -0.84 -0.83 -0.82 5.77 0.00 -0.15 -0.94 103.07 105.27 2dnx h GLY 21 Ca -0.04 0.66 0.10 0.00 0.00 0.00 0.00 47.33 48.04 2dnx h GLY 21 CO -0.13 -0.14 -0.52 3.43 0.00 0.00 0.00 176.54 179.19 2dnx h ASN 22 N -0.36 -1.85 -0.49 0.19 4.21 -0.72 0.91 115.58 117.47 2dnx h ASN 22 Ca 0.10 0.30 0.05 0.00 1.21 0.00 0.00 56.30 57.96 2dnx h ASN 22 Cb 0.59 0.84 -0.08 0.00 -1.12 0.00 0.00 38.32 38.55 2dnx h ASN 22 CO -0.60 -0.29 -0.48 0.40 -1.29 0.00 0.00 177.43 175.17 2dnx h ILE 23 N -0.10 0.00 -0.69 2.81 2.04 -0.16 -0.30 117.51 121.12 2dnx h ILE 23 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 2dnx h ILE 23 Cb 0.50 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.50 2dnx h ILE 23 CO -0.85 0.00 -0.43 1.56 0.00 0.00 0.00 178.15 178.43 2dnx h GLN 24 N -0.24 -0.03 -0.63 2.37 4.20 0.05 0.12 115.11 120.96 2dnx h GLN 24 Ca 0.08 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.86 2dnx h GLN 24 Cb 0.46 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.15 2dnx h GLN 24 CO -0.59 -0.02 -0.57 0.00 -0.67 0.00 0.00 178.83 176.99 2dnx h ARG 25 N -0.03 -0.24 -0.98 1.46 -0.00 -0.05 0.95 114.38 115.49 2dnx h ARG 25 Ca 0.11 0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.71 2dnx h ARG 25 Cb 0.31 0.05 -0.12 0.00 0.00 0.00 0.00 29.97 30.21 2dnx h ARG 25 CO -0.66 -0.16 -0.55 -0.89 0.00 0.00 0.00 179.97 177.71 2dnx n ILE 26 N -5.33 -0.64 -0.36 2.04 5.41 -0.08 0.20 119.36 120.59 2dnx n ILE 26 Ca -0.01 2.37 -0.03 0.00 1.00 0.00 0.00 62.75 66.08 2dnx n ILE 26 Cb 0.31 -2.95 0.10 0.00 -0.71 0.00 0.00 39.64 36.39 2dnx n ILE 26 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dnx h SER 27 N 0.00 1.11 0.33 4.38 0.87 0.15 -0.25 113.55 120.14 2dnx h SER 27 Ca 0.19 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2dnx h SER 27 Cb 0.43 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2dnx h SER 27 CO -0.93 0.82 -0.16 1.56 -0.53 0.00 0.00 176.83 177.59 2dnx h GLN 28 N 1.31 -0.42 -0.89 2.24 4.20 0.87 -1.76 115.11 120.65 2dnx h GLN 28 Ca 0.35 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.33 2dnx h GLN 28 Cb -0.13 0.10 -0.14 0.00 0.30 0.00 0.00 27.48 27.60 2dnx h GLN 28 CO -0.07 -0.28 0.23 0.00 -0.67 0.00 0.00 178.83 178.03 2dnx h ALA 29 N -1.78 1.29 -0.79 3.87 0.00 0.23 1.55 119.26 123.64 2dnx h ALA 29 Ca -0.04 0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.23 2dnx h ALA 29 Cb 0.34 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2dnx h ALA 29 CO 0.07 -0.49 0.52 1.15 0.00 0.00 0.00 179.25 180.51 2dnx h THR 30 N 0.19 0.85 -0.18 0.00 2.02 -0.89 -0.08 112.91 114.82 2dnx h THR 30 Ca 0.56 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.45 2dnx h THR 30 Cb 1.15 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2dnx h THR 30 CO -0.67 0.10 -0.29 0.00 0.37 0.00 0.00 175.52 175.03 2dnx h ALA 31 N 1.63 0.28 -0.67 6.16 0.00 0.31 -2.57 119.26 124.40 2dnx h ALA 31 Ca 0.38 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2dnx h ALA 31 Cb 0.69 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2dnx h ALA 31 CO -0.14 0.29 0.27 1.96 0.00 0.00 0.00 179.25 181.62 2dnx h GLN 32 N 0.16 0.44 0.08 0.00 4.20 0.33 0.47 115.11 120.79 2dnx h GLN 32 Ca 0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dnx h GLN 32 Cb 0.87 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 2dnx h GLN 32 CO 0.07 0.29 -0.04 0.82 -0.67 0.00 0.00 178.83 179.29 2dnx h ILE 33 N 0.45 0.91 -0.80 2.54 2.04 -1.17 1.32 117.51 122.81 2dnx h ILE 33 Ca 0.34 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.26 2dnx h ILE 33 Cb 0.44 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2dnx h ILE 33 CO -0.33 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.46 2dnx h LYS 34 N -0.11 0.87 -0.14 2.37 1.57 -0.84 1.67 116.57 121.96 2dnx h LYS 34 Ca -0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2dnx h LYS 34 Cb 0.09 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2dnx h LYS 34 CO 0.01 0.57 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.25 2dnx h ASN 35 N 0.90 0.50 1.08 0.86 4.21 0.74 -2.80 115.58 121.07 2dnx h ASN 35 Ca 0.34 -0.57 0.00 0.00 1.21 0.00 0.00 56.30 57.28 2dnx h ASN 35 Cb 0.18 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2dnx h ASN 35 CO -0.11 0.98 0.00 -0.07 -1.29 0.00 0.00 177.43 176.94 2dnx h LEU 36 N 0.05 0.00 0.13 1.61 3.38 0.27 -3.02 115.31 117.72 2dnx h LEU 36 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dnx h LEU 36 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2dnx h LEU 36 CO 0.07 0.00 -0.06 -0.03 0.09 0.00 0.00 178.44 178.51 2dnx h MET 37 N 0.00 -0.16 0.00 1.13 4.05 0.27 -2.69 114.93 117.53 2dnx h MET 37 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2dnx h MET 37 Cb 0.54 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2dnx h MET 37 CO 0.00 0.20 0.00 0.43 0.23 0.00 0.00 176.91 177.77 2dnx n SER 38 N -4.99 0.41 0.16 1.39 7.64 -1.08 -1.42 113.62 115.73 2dnx n SER 38 Ca -0.09 0.63 0.02 0.00 1.01 0.00 0.00 58.87 60.44 2dnx n SER 38 Cb 0.23 -0.71 0.21 0.00 -1.01 0.00 0.00 64.21 62.93 2dnx n SER 38 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dnx h GLN 39 N 0.00 0.00 -1.04 1.43 1.08 -1.36 -3.11 115.11 112.11 2dnx h GLN 39 Ca 0.00 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 57.53 2dnx h GLN 39 Cb 0.21 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.49 2dnx h GLN 39 CO 0.00 0.52 0.61 -0.07 -0.95 0.00 0.00 178.83 178.95 2dnx h LEU 40 N 0.00 0.48 -5.56 1.46 -0.00 -1.20 -1.45 115.31 109.05 2dnx h LEU 40 Ca -0.01 0.18 -0.71 0.00 -0.00 0.00 0.00 57.88 57.34 2dnx h LEU 40 Cb 1.08 0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 2dnx h LEU 40 CO 0.07 -0.13 3.01 0.61 -0.00 0.00 0.00 178.44 181.99 2dnx n GLY 41 N -1.33 4.69 3.65 0.83 0.00 -1.18 -4.78 105.19 107.07 2dnx n GLY 41 Ca 0.32 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 0.88 0.00 0.16 2.61 2.01 -0.55 -5.11 115.64 115.64 2dnx s THR 42 Ca 0.57 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2dnx s THR 42 Cb 0.16 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2dnx s THR 42 CO -0.07 0.00 0.00 1.17 -0.69 0.00 0.00 174.62 175.03 2dnx n LYS 43 N 2.85 -1.35 -3.70 4.92 3.00 -1.26 -4.68 118.16 117.94 2dnx n LYS 43 Ca -0.15 0.90 -0.28 0.00 -0.00 0.00 0.00 58.31 58.78 2dnx n LYS 43 Cb 0.57 -1.64 -0.11 0.00 0.00 0.00 0.00 35.03 33.85 2dnx n LYS 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2dnx n GLN 44 N -2.57 1.34 0.02 1.64 7.27 -1.26 -4.81 117.38 119.00 2dnx n GLN 44 Ca 0.00 -4.06 0.00 0.00 0.07 0.00 0.00 57.00 53.01 2dnx n GLN 44 Cb 0.30 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 30.89 2dnx n GLN 44 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2dnx n ASP 45 N 2.15 -0.31 -3.76 1.69 2.03 -1.26 -5.03 116.55 112.05 2dnx n ASP 45 Ca 0.24 0.25 -0.24 0.00 0.52 0.00 0.00 54.79 55.56 2dnx n ASP 45 Cb 0.40 0.52 0.03 0.00 -0.72 0.00 0.00 41.12 41.35 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dnx n SER 46 N -2.28 -2.32 -0.05 1.67 3.41 -1.26 -4.92 113.62 107.87 2dnx n SER 46 Ca 0.00 -0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 57.78 2dnx n SER 46 Cb 0.00 -4.03 -0.01 0.00 -0.26 0.00 0.00 64.21 59.91 2dnx n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dnx h SER 47 N -1.95 0.00 -0.01 4.04 0.02 -1.98 -3.28 113.55 110.38 2dnx h SER 47 Ca -0.60 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 2dnx h SER 47 Cb 1.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 2dnx h SER 47 CO 0.60 0.51 -0.21 0.50 -1.14 0.00 0.00 176.83 177.08 2dnx h LYS 48 N -0.71 -0.25 0.00 3.45 3.64 -1.98 0.43 116.57 121.15 2dnx h LYS 48 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2dnx h LYS 48 Cb 0.31 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2dnx h LYS 48 CO 0.00 -0.16 0.00 1.47 -2.27 0.00 0.00 179.45 178.49 2dnx n LEU 49 N -3.67 0.00 -0.34 5.20 -0.00 -1.26 0.15 117.00 117.08 2dnx n LEU 49 Ca -0.03 0.84 -0.02 0.00 -0.00 0.00 0.00 56.01 56.80 2dnx n LEU 49 Cb 0.15 -0.39 0.02 0.00 -0.00 0.00 0.00 43.42 43.20 2dnx n LEU 49 CO 0.04 -0.39 0.49 0.00 -0.00 0.00 0.00 177.39 177.53 2dnx n GLN 50 N -2.65 -0.23 -0.19 1.47 6.02 -1.11 0.17 117.38 120.87 2dnx n GLN 50 Ca 0.00 1.32 -0.04 0.00 -0.01 0.00 0.00 57.00 58.28 2dnx n GLN 50 Cb 0.00 -1.96 0.06 0.00 1.02 0.00 0.00 30.24 29.36 2dnx n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2dnx h GLU 51 N 0.00 0.57 0.27 -1.09 5.08 0.18 -2.41 114.58 117.17 2dnx h GLU 51 Ca 0.28 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2dnx h GLU 51 Cb 0.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dnx h GLU 51 CO -0.85 0.37 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.48 2dnx h ASN 52 N 0.58 -0.36 -0.99 1.42 2.35 1.08 0.13 115.58 119.79 2dnx h ASN 52 Ca 0.24 0.02 0.24 0.00 -0.55 0.00 0.00 56.30 56.25 2dnx h ASN 52 Cb 0.13 0.10 -0.19 0.00 0.05 0.00 0.00 38.32 38.41 2dnx h ASN 52 CO -0.15 -0.24 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.22 2dnx h LEU 53 N -0.39 -0.68 -0.47 1.61 3.38 0.11 2.18 115.31 121.06 2dnx h LEU 53 Ca -0.03 0.29 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 2dnx h LEU 53 Cb 0.31 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dnx h LEU 53 CO 0.04 -0.35 -0.54 1.56 0.09 0.00 0.00 178.44 179.25 2dnx h GLN 54 N 0.00 0.64 0.00 1.13 1.08 -1.02 -0.72 115.11 116.22 2dnx h GLN 54 Ca 0.55 -0.40 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2dnx h GLN 54 Cb 1.01 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2dnx h GLN 54 CO -0.97 1.01 -0.16 -0.56 -0.95 0.00 0.00 178.83 177.21 2dnx h GLN 55 N 0.49 0.00 0.08 1.46 3.07 0.51 -1.71 115.11 119.01 2dnx h GLN 55 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.58 2dnx h GLN 55 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 2dnx h GLN 55 CO 0.11 0.16 -0.83 -0.07 0.09 0.00 0.00 178.83 178.29 2dnx h LEU 56 N 0.00 0.26 0.22 0.06 3.38 0.30 -2.98 115.31 116.55 2dnx h LEU 56 Ca -0.00 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.10 2dnx h LEU 56 Cb 0.58 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2dnx h LEU 56 CO 0.02 1.37 -0.29 1.56 0.09 0.00 0.00 178.44 181.18 2dnx h GLN 57 N -0.60 -0.55 0.25 1.13 4.20 -0.99 -1.35 115.11 117.20 2dnx h GLN 57 Ca -0.18 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2dnx h GLN 57 Cb 1.46 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.33 2dnx h GLN 57 CO 0.04 -0.37 -0.50 1.25 -0.67 0.00 0.00 178.83 178.58 2dnx h HIS 58 N -0.57 -1.42 -0.99 2.96 2.76 -1.47 1.04 115.15 117.45 2dnx h HIS 58 Ca 0.01 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.34 2dnx h HIS 58 Cb 0.55 0.59 -0.15 0.00 1.55 0.00 0.00 27.41 29.95 2dnx h HIS 58 CO -0.22 -0.61 -0.43 0.45 -1.30 0.00 0.00 177.93 175.83 2dnx n SER 59 N -5.51 -0.73 -0.16 3.26 2.88 -1.11 0.59 113.62 112.84 2dnx n SER 59 Ca -0.09 1.73 -0.09 0.00 -1.33 0.00 0.00 58.87 59.08 2dnx n SER 59 Cb 0.42 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2dnx n SER 59 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dnx h THR 60 N 0.00 1.24 -0.51 2.46 2.02 -0.62 -1.73 112.91 115.77 2dnx h THR 60 Ca 0.30 -0.86 0.08 0.00 0.77 0.00 0.00 66.41 66.71 2dnx h THR 60 Cb 0.55 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 67.80 2dnx h THR 60 CO -0.97 0.30 -0.42 -1.13 0.37 0.00 0.00 175.52 173.67 2dnx h ASN 61 N 0.60 -1.44 0.92 4.18 -1.24 0.67 0.30 115.58 119.57 2dnx h ASN 61 Ca 0.14 0.23 -0.04 0.00 0.71 0.00 0.00 56.30 57.34 2dnx h ASN 61 Cb 0.35 0.65 0.01 0.00 0.73 0.00 0.00 38.32 40.06 2dnx h ASN 61 CO 0.01 -0.34 -0.45 1.56 -1.29 0.00 0.00 177.43 176.91 2dnx h GLN 62 N -0.26 -1.20 -0.93 6.67 1.08 -0.65 -2.11 115.11 117.71 2dnx h GLN 62 Ca 0.17 0.08 0.09 0.00 -1.45 0.00 0.00 58.65 57.54 2dnx h GLN 62 Cb 0.57 0.27 -0.12 0.00 -0.05 0.00 0.00 27.48 28.15 2dnx h GLN 62 CO -0.64 -0.80 -0.52 1.28 -0.95 0.00 0.00 178.83 177.20 2dnx n LEU 63 N -5.63 -0.92 -0.10 1.46 4.77 -0.66 0.09 117.00 116.02 2dnx n LEU 63 Ca -0.16 1.65 -0.14 0.00 -0.03 0.00 0.00 56.01 57.33 2dnx n LEU 63 Cb 0.50 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 2dnx n LEU 63 CO 0.40 -1.37 0.51 0.00 -1.33 0.00 0.00 177.39 175.60 2dnx h ALA 64 N 0.61 -0.79 -0.96 -1.18 0.00 -0.31 0.52 119.26 117.15 2dnx h ALA 64 Ca 0.18 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2dnx h ALA 64 Cb 0.41 1.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 2dnx h ALA 64 CO -0.88 -1.05 -0.34 0.87 0.00 0.00 0.00 179.25 177.85 2dnx h LYS 65 N -0.45 -0.01 -0.13 0.00 1.57 0.36 0.67 116.57 118.59 2dnx h LYS 65 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dnx h LYS 65 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2dnx h LYS 65 CO -0.55 -0.01 0.08 0.93 -0.57 0.00 0.00 179.45 179.34 2dnx h GLU 66 N -0.01 0.17 -0.28 3.15 4.39 0.96 -0.92 114.58 122.04 2dnx h GLU 66 Ca 0.38 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.12 2dnx h GLU 66 Cb 0.63 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 2dnx h GLU 66 CO -0.97 0.11 -0.43 1.15 -1.16 0.00 0.00 179.01 177.71 2dnx h THR 67 N 0.17 0.12 -0.98 1.13 2.02 0.51 1.28 112.91 117.15 2dnx h THR 67 Ca 0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 2dnx h THR 67 Cb -0.02 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.44 2dnx h THR 67 CO -0.01 0.00 0.63 -1.13 0.37 0.00 0.00 175.52 175.38 2dnx h ASN 68 N -0.41 0.94 -0.35 4.18 -0.73 -0.53 1.09 115.58 119.77 2dnx h ASN 68 Ca 0.11 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 2dnx h ASN 68 Cb 0.60 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 2dnx h ASN 68 CO -0.49 0.54 0.07 -0.33 -0.37 0.00 0.00 177.43 176.85 2dnx h GLU 69 N 1.03 0.57 -0.10 6.67 4.39 0.77 -2.03 114.58 125.88 2dnx h GLU 69 Ca 0.46 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 2dnx h GLU 69 Cb 0.37 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2dnx h GLU 69 CO -0.21 0.63 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.17 2dnx h LEU 70 N 0.41 0.20 -2.03 1.33 3.38 0.28 -0.73 115.31 118.15 2dnx h LEU 70 Ca 0.11 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2dnx h LEU 70 Cb 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dnx h LEU 70 CO 0.00 0.53 0.33 -0.07 0.09 0.00 0.00 178.44 179.33 2dnx h LEU 71 N -0.14 0.00 0.14 1.67 3.38 0.13 1.28 115.31 121.77 2dnx h LEU 71 Ca 0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 2dnx h LEU 71 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dnx h LEU 71 CO 0.01 0.00 -1.82 0.11 0.09 0.00 0.00 178.44 176.83 2dnx h LYS 72 N 0.00 0.30 0.00 1.13 1.57 -0.74 -3.26 116.57 115.57 2dnx h LYS 72 Ca 0.03 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2dnx h LYS 72 Cb 0.70 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2dnx h LYS 72 CO -0.00 1.25 -0.38 1.05 -0.57 0.00 0.00 179.45 180.80 2dnx h GLU 73 N 0.00 0.00 0.22 3.15 4.11 0.12 -2.51 114.58 119.68 2dnx h GLU 73 Ca -0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 2dnx h GLU 73 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2dnx h GLU 73 CO 0.11 0.38 -0.11 1.25 0.07 0.00 0.00 179.01 180.71 2dnx h LEU 74 N 0.00 -0.25 -2.07 3.06 6.46 0.13 -2.71 115.31 119.93 2dnx h LEU 74 Ca -0.00 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 2dnx h LEU 74 Cb 0.94 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 2dnx h LEU 74 CO 0.05 -0.15 0.35 1.23 -0.62 0.00 0.00 178.44 179.30 2dnx h GLY 75 N -0.37 0.00 1.01 3.75 0.00 -1.64 0.10 103.07 105.94 2dnx h GLY 75 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2dnx h GLY 75 CO 0.05 0.00 0.48 0.23 0.00 0.00 0.00 176.54 177.30 2dnx h SER 76 N 0.00 0.98 -2.75 0.19 0.87 -1.30 -3.44 113.55 108.10 2dnx h SER 76 Ca 0.16 -0.07 -0.55 0.00 -1.23 0.00 0.00 61.79 60.09 2dnx h SER 76 Cb 0.86 -0.25 0.21 0.00 -0.44 0.00 0.00 62.40 62.78 2dnx h SER 76 CO -0.00 0.77 -0.99 0.18 -0.53 0.00 0.00 176.83 176.26 2dnx n LEU 77 N -4.45 -2.12 0.00 2.23 4.77 0.36 -4.97 117.00 112.82 2dnx n LEU 77 Ca 0.08 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2dnx n LEU 77 Cb 0.07 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2dnx n LEU 77 CO 0.38 -4.36 0.00 -0.81 -1.33 0.00 0.00 177.39 171.26 2dnx n PRO 78 N 0.25 -0.27 -4.55 3.23 -0.04 -1.26 -5.05 135.00 127.31 2dnx n PRO 78 Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 2dnx n PRO 78 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.24 0.78 1.53 1.43 -1.26 -5.09 118.68 118.31 2dnx s LEU 79 Ca 0.00 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2dnx s LEU 79 Cb 0.00 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.21 2dnx s LEU 79 CO 0.00 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 2dnx s PRO 80 N -1.59 2.21 0.34 1.29 0.04 -1.26 -4.95 135.00 131.08 2dnx s PRO 80 Ca 0.10 0.69 0.09 0.00 0.04 0.00 0.00 61.00 61.92 2dnx s PRO 80 Cb -0.10 -1.93 0.60 0.00 0.04 0.00 0.00 34.50 33.12 2dnx s PRO 80 CO 0.03 -1.54 1.78 -0.07 0.04 0.00 0.00 177.00 177.24 2dnx h LEU 81 N -1.04 0.15 -9.28 -3.56 -0.00 -2.01 -3.42 115.31 96.16 2dnx h LEU 81 Ca -0.46 -0.05 -0.56 0.00 -0.00 0.00 0.00 57.88 56.80 2dnx h LEU 81 Cb 1.26 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 2dnx h LEU 81 CO 0.59 0.50 0.38 -0.44 -0.00 0.00 0.00 178.44 179.46 2dnx s SER 82 N -6.90 7.14 0.23 -0.43 0.01 -1.26 -4.94 113.70 107.55 2dnx s SER 82 Ca -0.04 1.39 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 2dnx s SER 82 Cb 0.14 -2.50 0.25 0.00 0.21 0.00 0.00 66.02 64.12 2dnx s SER 82 CO 0.75 -0.33 1.70 0.74 0.41 0.00 0.00 173.24 176.51 2dnx h THR 83 N 5.00 1.26 -0.71 1.44 2.02 -2.00 -2.10 112.91 117.81 2dnx h THR 83 Ca -0.35 -1.14 0.21 0.00 0.77 0.00 0.00 66.41 65.90 2dnx h THR 83 Cb 1.17 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2dnx h THR 83 CO 0.81 0.39 0.57 0.28 0.37 0.00 0.00 175.52 177.94 2dnx h SER 84 N 0.76 0.00 0.32 4.18 0.02 -1.96 0.26 113.55 117.13 2dnx h SER 84 Ca 0.13 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.76 2dnx h SER 84 Cb 0.56 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2dnx h SER 84 CO 0.03 0.00 -1.80 -0.33 -1.14 0.00 0.00 176.83 173.59 2dnx h GLU 85 N 0.00 0.16 0.03 3.45 4.39 -1.79 -3.21 114.58 117.62 2dnx h GLU 85 Ca 0.34 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2dnx h GLU 85 Cb 1.48 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 30.21 2dnx h GLU 85 CO -0.00 0.93 -0.27 1.96 -1.16 0.00 0.00 179.01 180.46 2dnx h GLN 86 N 0.04 -0.35 -0.10 2.33 4.20 0.13 0.28 115.11 121.64 2dnx h GLN 86 Ca -0.34 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.42 2dnx h GLN 86 Cb 2.02 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.86 2dnx h GLN 86 CO 0.10 -0.24 -0.07 0.07 -0.67 0.00 0.00 178.83 178.02 2dnx h ARG 87 N -0.37 -0.07 -0.37 1.46 0.11 -1.60 0.41 114.38 113.95 2dnx h ARG 87 Ca 0.00 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.19 2dnx h ARG 87 Cb 0.38 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2dnx h ARG 87 CO -0.17 -0.05 0.53 1.96 0.10 0.00 0.00 179.97 182.34 2dnx h GLN 88 N -0.08 0.00 0.03 0.08 1.08 -1.48 1.14 115.11 115.89 2dnx h GLN 88 Ca 0.06 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2dnx h GLN 88 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2dnx h GLN 88 CO -0.14 0.00 -0.01 1.96 -0.95 0.00 0.00 178.83 179.68 2dnx h GLN 89 N 0.00 -0.04 -0.55 1.46 4.20 0.17 -2.89 115.11 117.47 2dnx h GLN 89 Ca 0.18 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.96 2dnx h GLN 89 Cb 1.23 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 2dnx h GLN 89 CO -0.00 -0.02 0.36 0.07 -0.67 0.00 0.00 178.83 178.57 2dnx h ARG 90 N -0.42 0.45 0.35 1.46 0.11 -0.67 -1.84 114.38 113.83 2dnx h ARG 90 Ca -0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2dnx h ARG 90 Cb 0.03 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 2dnx h ARG 90 CO 0.01 0.30 -0.22 -0.07 0.10 0.00 0.00 179.97 180.09 2dnx h LEU 91 N 0.47 -0.55 0.24 0.08 3.38 0.12 0.21 115.31 119.26 2dnx h LEU 91 Ca 0.24 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dnx h LEU 91 Cb 0.35 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2dnx h LEU 91 CO -0.07 -0.35 -0.38 1.56 0.09 0.00 0.00 178.44 179.30 2dnx h GLN 92 N -0.55 -0.63 -0.44 1.13 1.08 -1.13 -0.65 115.11 113.93 2dnx h GLN 92 Ca -0.04 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 2dnx h GLN 92 Cb 0.46 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 2dnx h GLN 92 CO 0.03 -0.42 -0.50 -0.22 -0.95 0.00 0.00 178.83 176.78 2dnx h LYS 93 N -0.65 -0.33 -0.90 1.46 3.64 -1.36 0.35 116.57 118.78 2dnx h LYS 93 Ca -0.03 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 2dnx h LYS 93 Cb 0.60 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.35 2dnx h LYS 93 CO -0.12 -0.22 -0.41 0.93 -2.27 0.00 0.00 179.45 177.36 2dnx h GLU 94 N -0.35 -0.04 -0.41 1.90 4.39 -0.29 0.70 114.58 120.48 2dnx h GLU 94 Ca 0.11 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.84 2dnx h GLU 94 Cb 0.59 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2dnx h GLU 94 CO -0.61 -0.03 0.24 0.00 -1.16 0.00 0.00 179.01 177.45 2dnx h ARG 95 N -0.05 0.46 -0.82 2.33 2.47 0.57 -1.08 114.38 118.27 2dnx h ARG 95 Ca 0.29 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.09 2dnx h ARG 95 Cb 0.57 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.71 2dnx h ARG 95 CO -0.91 0.31 0.46 -0.07 0.56 0.00 0.00 179.97 180.31 2dnx h LEU 96 N 0.48 0.64 0.04 3.04 3.38 0.38 0.76 115.31 124.03 2dnx h LEU 96 Ca 0.17 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2dnx h LEU 96 Cb 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dnx h LEU 96 CO -0.08 0.36 -0.02 0.24 0.09 0.00 0.00 178.44 179.02 2dnx h MET 97 N 0.75 -0.05 -0.60 1.13 2.86 0.10 0.43 114.93 119.56 2dnx h MET 97 Ca 0.40 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.99 2dnx h MET 97 Cb 0.39 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2dnx h MET 97 CO -0.26 0.00 0.15 -0.91 1.06 0.00 0.00 176.91 176.96 2dnx h ASN 98 N -0.09 0.87 0.82 1.22 2.35 -0.34 -1.29 115.58 119.11 2dnx h ASN 98 Ca -0.01 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 2dnx h ASN 98 Cb 0.08 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.23 2dnx h ASN 98 CO 0.01 0.84 -0.39 0.44 -1.65 0.00 0.00 177.43 176.68 2dnx h ASP 99 N 0.89 -0.93 -0.99 5.81 3.32 0.93 -2.16 116.42 123.29 2dnx h ASP 99 Ca 0.19 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.49 2dnx h ASP 99 Cb 0.31 0.24 -0.12 0.00 0.22 0.00 0.00 39.33 39.98 2dnx h ASP 99 CO -0.00 -0.59 0.58 0.15 -1.72 0.00 0.00 179.24 177.65 2dnx h PHE 100 N -1.23 0.99 0.53 4.55 3.57 -0.04 -0.92 116.94 124.39 2dnx h PHE 100 Ca -0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2dnx h PHE 100 Cb 0.85 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2dnx h PHE 100 CO -0.00 0.10 -0.44 0.66 -2.23 0.00 0.00 178.31 176.39 2dnx h SER 101 N 0.61 -1.18 -0.95 0.41 4.64 -1.02 1.47 113.55 117.53 2dnx h SER 101 Ca 0.62 0.09 0.23 0.00 -0.47 0.00 0.00 61.79 62.26 2dnx h SER 101 Cb 1.12 0.38 -0.12 0.00 -0.31 0.00 0.00 62.40 63.47 2dnx h SER 101 CO -0.46 -0.63 0.50 0.00 -0.87 0.00 0.00 176.83 175.38 2dnx h ALA 102 N -0.72 1.61 -0.14 5.18 0.00 -0.54 0.95 119.26 125.61 2dnx h ALA 102 Ca -0.06 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2dnx h ALA 102 Cb 0.82 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dnx h ALA 102 CO -0.02 -0.29 -0.63 0.00 0.00 0.00 0.00 179.25 178.32 2dnx h ALA 103 N 1.71 0.65 0.82 0.00 0.00 -0.43 -2.78 119.26 119.23 2dnx h ALA 103 Ca 0.60 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2dnx h ALA 103 Cb 1.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2dnx h ALA 103 CO -0.49 0.71 -0.39 1.25 0.00 0.00 0.00 179.25 180.33 2dnx h LEU 104 N 0.36 -0.93 -0.82 0.00 5.85 0.90 -2.62 115.31 118.06 2dnx h LEU 104 Ca -0.01 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.93 2dnx h LEU 104 Cb 1.18 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 42.31 2dnx h LEU 104 CO 0.11 -0.60 0.01 -1.13 -0.34 0.00 0.00 178.44 176.50 2dnx h ASN 105 N -1.23 -0.38 -0.40 1.25 -0.73 -0.01 0.27 115.58 114.36 2dnx h ASN 105 Ca -0.11 0.22 0.07 0.00 1.87 0.00 0.00 56.30 58.35 2dnx h ASN 105 Cb 0.85 0.38 -0.09 0.00 0.27 0.00 0.00 38.32 39.73 2dnx h ASN 105 CO 0.18 -0.22 -0.42 0.78 -0.37 0.00 0.00 177.43 177.39 2dnx h ASN 106 N 0.09 -1.38 -0.69 1.15 4.21 -1.28 0.25 115.58 117.92 2dnx h ASN 106 Ca 0.46 0.21 0.11 0.00 1.21 0.00 0.00 56.30 58.29 2dnx h ASN 106 Cb 0.85 0.61 -0.08 0.00 -1.12 0.00 0.00 38.32 38.58 2dnx h ASN 106 CO -0.73 -0.36 0.30 0.15 -1.29 0.00 0.00 177.43 175.49 2dnx h PHE 107 N -0.32 0.52 0.54 1.19 3.57 -0.14 -0.72 116.94 121.58 2dnx h PHE 107 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2dnx h PHE 107 Cb 0.58 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2dnx h PHE 107 CO -0.61 0.14 -0.40 1.96 -2.23 0.00 0.00 178.31 177.16 2dnx h GLN 108 N 0.49 -0.87 -0.50 1.11 4.20 0.43 1.28 115.11 121.25 2dnx h GLN 108 Ca 0.35 0.06 0.15 0.00 0.06 0.00 0.00 58.65 59.27 2dnx h GLN 108 Cb 0.45 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2dnx h GLN 108 CO -0.32 -0.58 0.60 0.00 -0.67 0.00 0.00 178.83 177.86 2dnx h ALA 109 N -1.22 2.23 0.21 3.87 0.00 -0.29 0.86 119.26 124.92 2dnx h ALA 109 Ca -0.07 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 2dnx h ALA 109 Cb 0.75 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2dnx h ALA 109 CO 0.03 -0.86 -1.65 0.28 0.00 0.00 0.00 179.25 177.04 2dnx h VAL 110 N 0.00 1.05 -0.88 0.00 2.07 0.41 -2.83 116.25 116.08 2dnx h VAL 110 Ca 0.24 -2.57 0.08 0.00 0.82 0.00 0.00 66.70 65.27 2dnx h VAL 110 Cb 1.44 2.86 -0.06 0.00 -1.52 0.00 0.00 31.29 34.01 2dnx h VAL 110 CO -0.00 0.84 0.57 0.06 0.02 0.00 0.00 177.57 179.06 2dnx h GLN 111 N 0.11 0.90 0.15 1.57 3.07 0.87 0.59 115.11 122.36 2dnx h GLN 111 Ca -0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.36 2dnx h GLN 111 Cb 2.12 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 29.48 2dnx h GLN 111 CO 0.21 0.59 -0.07 -0.09 0.09 0.00 0.00 178.83 179.56 2dnx h ARG 112 N 0.92 -0.19 -0.81 0.06 1.12 -1.24 -1.78 114.38 112.46 2dnx h ARG 112 Ca 0.39 0.01 0.09 0.00 -1.11 0.00 0.00 59.98 59.37 2dnx h ARG 112 Cb 0.31 0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 30.24 2dnx h ARG 112 CO -0.16 0.26 0.46 0.00 -3.11 0.00 0.00 179.97 177.43 2dnx h ARG 113 N -0.81 0.76 -0.60 0.20 3.08 -1.21 0.12 114.38 115.91 2dnx h ARG 113 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2dnx h ARG 113 Cb 0.54 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2dnx h ARG 113 CO 0.03 0.50 0.31 0.28 -1.07 0.00 0.00 179.97 180.02 2dnx h VAL 114 N 0.78 1.20 0.48 2.04 2.07 0.13 -2.32 116.25 120.63 2dnx h VAL 114 Ca 0.39 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2dnx h VAL 114 Cb 0.35 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2dnx h VAL 114 CO -0.24 0.23 -0.24 0.28 0.02 0.00 0.00 177.57 177.62 2dnx h SER 115 N 0.82 -0.56 -1.06 0.57 0.02 -0.19 -2.11 113.55 111.03 2dnx h SER 115 Ca 0.21 0.02 0.30 0.00 -0.84 0.00 0.00 61.79 61.49 2dnx h SER 115 Cb 0.08 0.15 -0.12 0.00 0.14 0.00 0.00 62.40 62.65 2dnx h SER 115 CO -0.03 -0.40 0.65 -0.33 -1.14 0.00 0.00 176.83 175.59 2dnx h GLU 116 N -0.65 0.36 0.59 3.45 5.08 -0.65 0.24 114.58 122.99 2dnx h GLU 116 Ca -0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2dnx h GLU 116 Cb 0.50 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2dnx h GLU 116 CO 0.10 0.24 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.84 2dnx h LYS 117 N 0.37 -0.76 0.00 2.33 3.11 -0.83 0.08 116.57 120.86 2dnx h LYS 117 Ca 0.68 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.58 2dnx h LYS 117 Cb 1.66 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 2dnx h LYS 117 CO -0.45 -0.49 0.00 0.93 -2.81 0.00 0.00 179.45 176.63 2dnx h GLU 118 N -0.83 0.00 0.20 1.90 4.39 -0.17 0.18 114.58 120.25 2dnx h GLU 118 Ca -0.08 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.31 2dnx h GLU 118 Cb 0.62 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2dnx h GLU 118 CO 0.13 0.00 -1.38 0.87 -1.16 0.00 0.00 179.01 177.47 2dnx h LYS 119 N 0.00 0.47 -0.49 2.33 1.79 0.40 -3.24 116.57 117.83 2dnx h LYS 119 Ca 0.00 -0.78 -0.10 0.00 -2.18 0.00 0.00 60.65 57.60 2dnx h LYS 119 Cb 0.04 0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2dnx h LYS 119 CO 0.00 1.37 -0.08 0.93 -1.08 0.00 0.00 179.45 180.59 2dnx h GLU 120 N 0.14 0.87 0.18 3.15 4.39 0.92 -0.49 114.58 123.75 2dnx h GLU 120 Ca -0.21 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2dnx h GLU 120 Cb 2.08 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.63 2dnx h GLU 120 CO 0.25 0.92 -0.37 0.77 -1.16 0.00 0.00 179.01 179.42 2dnx h SER 121 N 0.79 -1.09 0.17 1.42 0.02 -1.46 -3.24 113.55 110.15 2dnx h SER 121 Ca 0.14 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2dnx h SER 121 Cb 0.58 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2dnx h SER 121 CO 0.04 -0.43 -0.08 0.40 -1.14 0.00 0.00 176.83 175.62 2dnx h ILE 122 N -0.61 0.00 0.00 3.27 2.04 -1.58 -3.45 117.51 117.18 2dnx h ILE 122 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2dnx h ILE 122 Cb 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2dnx h ILE 122 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.00 2dnx n ALA 123 N -2.12 0.00 -2.24 1.87 0.00 -0.20 -4.83 120.51 112.99 2dnx n ALA 123 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2dnx n ALA 123 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 2dnx n ALA 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2dnx s ARG 124 N 0.00 3.94 -0.30 0.00 1.70 -1.26 -4.64 118.95 118.40 2dnx s ARG 124 Ca 0.00 0.54 -0.02 0.00 -0.47 0.00 0.00 55.73 55.78 2dnx s ARG 124 Cb 0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2dnx s ARG 124 CO 0.00 0.24 0.07 0.43 -1.08 0.00 0.00 175.30 174.95 2dnx n SER 125 N -0.19 -7.58 0.00 -2.89 7.64 -1.26 -5.07 113.62 104.27 2dnx n SER 125 Ca 0.02 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2dnx n SER 125 Cb 0.53 -5.03 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 126 N 0.53 1.99 3.72 0.23 0.00 -1.26 -5.03 105.19 105.37 2dnx n GLY 126 Ca 0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 4.48 0.21 1.61 0.04 -1.26 -5.02 135.00 133.07 2dnx s PRO 127 Ca 0.00 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 2dnx s PRO 127 Cb 0.00 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.23 2dnx s PRO 127 CO 0.00 -0.15 0.56 0.45 0.04 0.00 0.00 177.00 177.90 2dnx s SER 128 N 0.75 -0.27 -0.06 6.66 0.15 -1.26 -5.05 113.70 114.62 2dnx s SER 128 Ca 0.56 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dnx s SER 128 Cb -0.29 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dnx s SER 128 CO 0.31 -1.11 0.01 -0.24 1.20 0.00 0.00 173.24 173.41 2dnx n SER 129 N -0.37 -6.75 0.00 5.45 2.88 -1.26 -5.28 113.62 108.29 2dnx n SER 129 Ca -0.09 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2dnx n SER 129 Cb 0.62 -2.29 0.00 0.00 -0.75 0.00 0.00 64.21 61.79 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42