#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx n SER 2 N 0.00 -7.77 -3.46 1.61 2.88 -1.26 -4.60 113.62 101.02 2dnx n SER 2 Ca 0.00 0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 2dnx n SER 2 Cb 0.00 -4.16 -0.03 0.00 -0.75 0.00 0.00 64.21 59.27 2dnx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnx s SER 3 N -6.97 -0.57 0.00 -3.46 1.04 -1.26 -5.04 113.70 97.44 2dnx s SER 3 Ca 0.00 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2dnx s SER 3 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2dnx s SER 3 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2dnx n GLY 4 N 0.02 3.99 3.52 7.32 0.00 -1.26 -5.02 105.19 113.76 2dnx n GLY 4 Ca -0.17 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 6.30 0.17 1.61 0.01 -1.26 -4.97 113.70 115.57 2dnx s SER 5 Ca 0.00 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.72 2dnx s SER 5 Cb 0.00 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.77 2dnx s SER 5 CO 0.00 -1.42 0.41 -0.44 0.41 0.00 0.00 173.24 172.20 2dnx s SER 6 N 3.17 -0.13 0.00 2.44 0.01 -1.26 -5.13 113.70 112.80 2dnx s SER 6 Ca 0.32 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2dnx s SER 6 Cb -0.12 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2dnx s SER 6 CO 0.18 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.48 2dnx n GLY 7 N -0.27 0.70 5.40 3.44 0.00 -1.26 -5.07 105.19 108.12 2dnx n GLY 7 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2dnx n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dnx n GLN 8 N -0.19 -0.75 -5.01 1.61 6.02 -1.26 -4.74 117.38 113.07 2dnx n GLN 8 Ca 0.00 0.49 -0.29 0.00 -0.01 0.00 0.00 57.00 57.19 2dnx n GLN 8 Cb 0.00 -0.91 -0.17 0.00 1.02 0.00 0.00 30.24 30.18 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dnx s LEU 9 N 0.00 1.95 -0.74 1.08 1.43 -1.26 -4.83 118.68 116.31 2dnx s LEU 9 Ca 0.00 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2dnx s LEU 9 Cb 0.00 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.04 2dnx s LEU 9 CO 0.00 0.14 0.64 0.54 0.23 0.00 0.00 176.35 177.90 2dnx n ARG 10 N 3.42 -1.55 -2.47 1.70 1.74 -1.26 -4.95 116.66 113.29 2dnx n ARG 10 Ca -0.19 1.13 -0.30 0.00 -0.77 0.00 0.00 57.85 57.72 2dnx n ARG 10 Cb 0.53 -3.58 -0.01 0.00 -1.02 0.00 0.00 32.46 28.38 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 -2.84 6.37 0.26 0.55 1.11 -1.26 -4.73 116.67 116.14 2dnx s ASP 11 Ca 0.05 1.20 -0.07 0.00 0.18 0.00 0.00 52.55 53.90 2dnx s ASP 11 Cb -0.01 -2.36 0.45 0.00 1.07 0.00 0.00 42.92 42.07 2dnx s ASP 11 CO 0.84 -0.60 1.60 0.15 1.18 0.00 0.00 175.17 178.34 2dnx h PHE 12 N 0.46 -0.24 -0.25 4.23 3.04 -1.94 1.43 116.94 123.66 2dnx h PHE 12 Ca -0.46 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.49 2dnx h PHE 12 Cb 1.19 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.93 2dnx h PHE 12 CO 0.62 -0.33 -0.13 0.77 -2.02 0.00 0.00 178.31 177.22 2dnx h SER 13 N 0.04 0.40 -0.16 0.41 0.02 -1.93 0.80 113.55 113.12 2dnx h SER 13 Ca 0.44 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 61.09 2dnx h SER 13 Cb 0.75 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2dnx h SER 13 CO -0.80 0.56 -0.64 0.28 -1.14 0.00 0.00 176.83 175.08 2dnx h SER 14 N 0.39 0.89 -0.06 3.07 0.02 0.10 -2.44 113.55 115.52 2dnx h SER 14 Ca 0.07 -0.52 -0.11 0.00 -0.84 0.00 0.00 61.79 60.39 2dnx h SER 14 Cb 0.46 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2dnx h SER 14 CO 0.03 1.31 -0.41 0.40 -1.14 0.00 0.00 176.83 177.02 2dnx h ILE 15 N 0.57 1.42 0.01 3.27 2.04 0.18 -3.12 117.51 121.88 2dnx h ILE 15 Ca -0.01 -1.82 0.01 0.00 1.00 0.00 0.00 64.86 64.03 2dnx h ILE 15 Cb 1.25 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.67 2dnx h ILE 15 CO 0.13 0.53 -0.22 0.40 0.00 0.00 0.00 178.15 179.00 2dnx h ILE 16 N -0.09 0.00 -0.93 -0.67 2.04 0.58 0.27 117.51 118.70 2dnx h ILE 16 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 2dnx h ILE 16 Cb 1.07 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.00 2dnx h ILE 16 CO 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.89 2dnx n GLN 17 N -3.70 -0.20 -0.29 2.37 6.02 -0.92 0.19 117.38 120.86 2dnx n GLN 17 Ca -0.03 1.44 0.01 0.00 -0.01 0.00 0.00 57.00 58.41 2dnx n GLN 17 Cb 0.16 -2.14 0.14 0.00 1.02 0.00 0.00 30.24 29.42 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 0.99 0.74 5.09 2.02 -1.28 0.38 112.91 120.84 2dnx h THR 18 Ca 0.34 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 2dnx h THR 18 Cb 0.58 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2dnx h THR 18 CO -0.93 0.16 -0.35 0.00 0.37 0.00 0.00 175.52 174.76 2dnx h SER 20 N -1.05 -1.05 -0.07 0.00 0.87 0.35 0.17 113.55 112.76 2dnx h SER 20 Ca -0.10 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2dnx h SER 20 Cb 0.77 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 63.13 2dnx h SER 20 CO 0.17 -0.35 -0.32 1.23 -0.53 0.00 0.00 176.83 177.02 2dnx h GLY 21 N -0.36 -0.49 -0.27 5.77 0.00 -0.17 -1.49 103.07 106.07 2dnx h GLY 21 Ca 0.11 0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.94 2dnx h GLY 21 CO -0.41 -0.23 -0.25 3.43 0.00 0.00 0.00 176.54 179.08 2dnx h ASN 22 N -0.43 -0.88 -0.42 0.19 2.35 0.15 0.51 115.58 117.06 2dnx h ASN 22 Ca 0.08 0.20 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 2dnx h ASN 22 Cb 0.55 0.47 -0.09 0.00 0.05 0.00 0.00 38.32 39.30 2dnx h ASN 22 CO -0.32 -0.27 -0.37 0.40 -1.65 0.00 0.00 177.43 175.22 2dnx h ILE 23 N -0.12 0.17 -0.22 2.81 2.04 -0.12 0.20 117.51 122.26 2dnx h ILE 23 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.14 2dnx h ILE 23 Cb 0.51 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2dnx h ILE 23 CO -0.62 0.00 -0.50 1.56 0.00 0.00 0.00 178.15 178.59 2dnx h GLN 24 N -0.28 -0.44 -0.39 2.37 1.08 0.02 -0.16 115.11 117.30 2dnx h GLN 24 Ca 0.16 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.47 2dnx h GLN 24 Cb 0.56 0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 28.00 2dnx h GLN 24 CO -0.57 -0.30 -0.36 0.00 -0.95 0.00 0.00 178.83 176.65 2dnx h ARG 25 N -0.46 -0.28 -0.81 1.46 -0.00 -0.28 0.90 114.38 114.92 2dnx h ARG 25 Ca 0.04 0.02 0.18 0.00 -0.50 0.00 0.00 59.98 59.72 2dnx h ARG 25 Cb 0.59 0.06 -0.15 0.00 0.00 0.00 0.00 29.97 30.47 2dnx h ARG 25 CO -0.46 -0.19 -0.12 0.82 0.00 0.00 0.00 179.97 180.03 2dnx h ILE 26 N -0.29 0.22 -0.13 2.04 2.04 0.29 1.26 117.51 122.94 2dnx h ILE 26 Ca 0.16 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.89 2dnx h ILE 26 Cb 0.56 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dnx h ILE 26 CO -0.54 0.01 -0.45 -1.28 0.00 0.00 0.00 178.15 175.88 2dnx h SER 27 N 0.03 0.33 0.51 1.72 0.87 0.94 -2.42 113.55 115.53 2dnx h SER 27 Ca 0.42 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2dnx h SER 27 Cb 0.70 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2dnx h SER 27 CO -0.79 0.74 -0.24 1.56 -0.53 0.00 0.00 176.83 177.57 2dnx h GLN 28 N 0.25 -0.66 -1.00 2.24 4.20 0.85 -1.09 115.11 119.90 2dnx h GLN 28 Ca 0.02 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.01 2dnx h GLN 28 Cb 0.90 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.71 2dnx h GLN 28 CO 0.07 -0.44 0.60 0.00 -0.67 0.00 0.00 178.83 178.39 2dnx h ALA 29 N -1.63 1.79 0.00 3.87 0.00 -0.19 1.48 119.26 124.58 2dnx h ALA 29 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2dnx h ALA 29 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dnx h ALA 29 CO 0.11 -0.25 -0.08 1.15 0.00 0.00 0.00 179.25 180.18 2dnx h THR 30 N 0.59 0.90 0.21 0.00 2.02 -1.23 -0.79 112.91 114.62 2dnx h THR 30 Ca 0.64 -0.30 -0.31 0.00 0.77 0.00 0.00 66.41 67.21 2dnx h THR 30 Cb 1.20 1.17 0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2dnx h THR 30 CO -0.47 0.08 -1.39 0.00 0.37 0.00 0.00 175.52 174.11 2dnx h ALA 31 N 1.92 -0.06 -0.55 6.16 0.00 0.33 -2.94 119.26 124.12 2dnx h ALA 31 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 2dnx h ALA 31 Cb 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2dnx h ALA 31 CO 0.01 0.81 0.21 1.96 0.00 0.00 0.00 179.25 182.24 2dnx h GLN 32 N 0.12 0.79 -0.27 0.00 4.20 0.04 0.51 115.11 120.50 2dnx h GLN 32 Ca -0.21 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 2dnx h GLN 32 Cb 2.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 2dnx h GLN 32 CO 0.25 0.65 -0.05 0.82 -0.67 0.00 0.00 178.83 179.83 2dnx h ILE 33 N 0.78 1.28 -0.08 2.54 2.04 -1.23 1.54 117.51 124.38 2dnx h ILE 33 Ca 0.19 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 2dnx h ILE 33 Cb 0.16 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2dnx h ILE 33 CO -0.02 0.33 -0.38 0.11 0.00 0.00 0.00 178.15 178.19 2dnx h LYS 34 N 0.27 0.16 0.13 2.37 1.57 -1.25 0.76 116.57 120.57 2dnx h LYS 34 Ca 0.07 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2dnx h LYS 34 Cb 0.51 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.84 2dnx h LYS 34 CO 0.02 0.52 -1.14 -0.97 -0.57 0.00 0.00 179.45 177.32 2dnx h ASN 35 N 0.13 0.77 1.25 0.86 -1.24 0.31 -3.15 115.58 114.52 2dnx h ASN 35 Ca 0.01 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.17 2dnx h ASN 35 Cb 0.74 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2dnx h ASN 35 CO 0.06 1.55 0.00 0.18 -1.29 0.00 0.00 177.43 177.93 2dnx n LEU 36 N -3.89 0.76 0.02 0.34 4.77 0.52 -3.18 117.00 116.34 2dnx n LEU 36 Ca -0.14 0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 2dnx n LEU 36 Cb 0.94 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2dnx n LEU 36 CO 0.56 -0.29 0.45 -0.03 -1.33 0.00 0.00 177.39 176.74 2dnx h MET 37 N 0.00 -0.04 -1.01 3.23 4.05 0.58 -2.74 114.93 119.00 2dnx h MET 37 Ca 0.00 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 2dnx h MET 37 Cb 0.62 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.35 2dnx h MET 37 CO 0.00 -0.03 0.64 0.77 0.23 0.00 0.00 176.91 178.52 2dnx h SER 38 N -0.05 0.95 -0.85 1.39 0.02 -1.67 -1.16 113.55 112.17 2dnx h SER 38 Ca -0.00 0.04 0.21 0.00 -0.84 0.00 0.00 61.79 61.20 2dnx h SER 38 Cb 0.03 -0.15 -0.15 0.00 0.14 0.00 0.00 62.40 62.28 2dnx h SER 38 CO 0.01 0.51 0.07 1.56 -1.14 0.00 0.00 176.83 177.84 2dnx h GLN 39 N 1.02 0.11 -0.06 3.45 4.20 -1.53 0.10 115.11 122.40 2dnx h GLN 39 Ca 0.49 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.22 2dnx h GLN 39 Cb 0.45 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2dnx h GLN 39 CO -0.25 0.07 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.40 2dnx h LEU 40 N 0.11 -1.58 -0.81 1.46 3.38 -0.89 -1.33 115.31 115.66 2dnx h LEU 40 Ca 0.50 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.81 2dnx h LEU 40 Cb 0.96 0.61 -0.15 0.00 0.09 0.00 0.00 40.66 42.17 2dnx h LEU 40 CO -0.73 -0.49 -0.22 1.23 0.09 0.00 0.00 178.44 178.31 2dnx h GLY 41 N -0.61 0.51 -7.66 0.83 0.00 -0.88 -3.07 103.07 92.19 2dnx h GLY 41 Ca 0.03 0.30 -0.75 0.00 0.00 0.00 0.00 47.33 46.91 2dnx h GLY 41 CO -0.38 -0.30 0.49 -1.59 0.00 0.00 0.00 176.54 174.76 2dnx s THR 42 N -6.21 5.28 0.00 4.70 2.01 -0.50 -4.91 115.64 116.00 2dnx s THR 42 Ca -0.15 -2.24 0.00 0.00 0.31 0.00 0.00 61.69 59.62 2dnx s THR 42 Cb 0.22 -4.63 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2dnx s THR 42 CO 0.75 -1.26 0.00 0.29 -0.69 0.00 0.00 174.62 173.71 2dnx n LYS 43 N 4.94 -3.03 -4.05 4.92 4.76 -1.16 -4.79 118.16 119.74 2dnx n LYS 43 Ca 0.20 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.31 2dnx n LYS 43 Cb 0.47 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.51 2dnx n LYS 43 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2dnx s GLN 44 N -2.00 2.75 0.00 1.97 0.74 -1.26 -4.81 119.66 117.04 2dnx s GLN 44 Ca 0.00 -1.01 0.00 0.00 0.05 0.00 0.00 55.36 54.40 2dnx s GLN 44 Cb 0.00 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.32 2dnx s GLN 44 CO 0.00 -0.36 0.00 -0.25 -0.55 0.00 0.00 175.29 174.13 2dnx n ASP 45 N 4.59 0.00 -3.80 6.67 8.00 -1.26 -4.67 116.55 126.08 2dnx n ASP 45 Ca -0.18 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.00 2dnx n ASP 45 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dnx n SER 46 N 2.66 -5.00 0.05 -2.24 3.41 -1.26 -4.87 113.62 106.37 2dnx n SER 46 Ca 0.00 -1.02 -0.04 0.00 -0.26 0.00 0.00 58.87 57.55 2dnx n SER 46 Cb 0.00 -2.44 -0.09 0.00 -0.26 0.00 0.00 64.21 61.41 2dnx n SER 46 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dnx h SER 47 N -1.47 0.00 -0.25 4.04 0.87 -2.00 -3.17 113.55 111.57 2dnx h SER 47 Ca -0.62 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 59.97 2dnx h SER 47 Cb 1.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2dnx h SER 47 CO 0.44 0.83 0.17 0.50 -0.53 0.00 0.00 176.83 178.24 2dnx h LYS 48 N 0.00 0.20 0.13 2.24 1.63 -1.97 -1.87 116.57 116.93 2dnx h LYS 48 Ca -0.11 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2dnx h LYS 48 Cb 1.73 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 2dnx h LYS 48 CO 0.09 0.14 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.09 2dnx h LEU 49 N 0.21 -0.14 -0.82 5.20 3.38 -1.94 -2.62 115.31 118.58 2dnx h LEU 49 Ca 0.11 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.23 2dnx h LEU 49 Cb 0.16 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 2dnx h LEU 49 CO -0.02 0.31 -0.24 0.00 0.09 0.00 0.00 178.44 178.59 2dnx n GLN 50 N -4.76 -0.10 -0.10 1.13 1.13 -1.09 0.19 117.38 113.78 2dnx n GLN 50 Ca -0.02 1.27 -0.10 0.00 -1.94 0.00 0.00 57.00 56.21 2dnx n GLN 50 Cb 0.07 -1.90 -0.02 0.00 0.11 0.00 0.00 30.24 28.50 2dnx n GLN 50 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2dnx h GLU 51 N 0.00 0.46 0.23 -1.09 5.08 -1.46 -2.79 114.58 115.01 2dnx h GLU 51 Ca 0.36 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2dnx h GLU 51 Cb 0.57 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2dnx h GLU 51 CO -0.83 0.46 -0.12 -0.91 -1.00 0.00 0.00 179.01 176.61 2dnx h ASN 52 N 0.36 -0.30 -1.00 1.42 4.21 0.24 0.13 115.58 120.65 2dnx h ASN 52 Ca 0.11 0.02 0.20 0.00 1.21 0.00 0.00 56.30 57.83 2dnx h ASN 52 Cb 0.17 0.08 -0.19 0.00 -1.12 0.00 0.00 38.32 37.26 2dnx h ASN 52 CO -0.01 -0.20 -0.24 0.18 -1.29 0.00 0.00 177.43 175.87 2dnx n LEU 53 N -5.24 -0.35 -0.02 1.61 4.77 0.42 0.22 117.00 118.42 2dnx n LEU 53 Ca -0.09 1.71 -0.09 0.00 -0.03 0.00 0.00 56.01 57.51 2dnx n LEU 53 Cb 0.16 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2dnx n LEU 53 CO 0.34 -1.65 0.54 1.56 -1.33 0.00 0.00 177.39 176.85 2dnx h GLN 54 N 0.00 0.63 0.00 3.23 4.20 -1.17 -0.16 115.11 121.83 2dnx h GLN 54 Ca 0.48 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2dnx h GLN 54 Cb 0.75 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2dnx h GLN 54 CO -1.02 0.96 0.00 -0.56 -0.67 0.00 0.00 178.83 177.54 2dnx h GLN 55 N 0.50 0.00 0.00 1.46 3.07 0.51 -1.24 115.11 119.41 2dnx h GLN 55 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.45 2dnx h GLN 55 Cb 1.00 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.50 2dnx h GLN 55 CO 0.09 0.00 -1.93 1.28 0.09 0.00 0.00 178.83 178.36 2dnx n LEU 56 N -2.65 0.59 0.17 0.06 4.77 0.60 -3.59 117.00 116.94 2dnx n LEU 56 Ca 0.02 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2dnx n LEU 56 Cb 0.28 0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2dnx n LEU 56 CO 0.24 0.42 0.26 1.56 -1.33 0.00 0.00 177.39 178.54 2dnx h GLN 57 N 0.00 -0.48 -0.27 3.23 4.20 -0.60 -2.85 115.11 118.35 2dnx h GLN 57 Ca -0.37 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.43 2dnx h GLN 57 Cb 2.09 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 29.90 2dnx h GLN 57 CO 0.06 -0.26 -0.36 1.25 -0.67 0.00 0.00 178.83 178.86 2dnx h HIS 58 N -1.09 -1.00 -0.75 2.96 2.76 -1.45 0.80 115.15 117.38 2dnx h HIS 58 Ca -0.05 0.05 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 2dnx h HIS 58 Cb 0.45 0.48 -0.13 0.00 1.55 0.00 0.00 27.41 29.75 2dnx h HIS 58 CO 0.01 -0.41 -0.40 1.03 -1.30 0.00 0.00 177.93 176.86 2dnx h SER 59 N -0.35 -1.42 -0.02 3.26 0.87 -1.66 0.14 113.55 114.36 2dnx h SER 59 Ca 0.13 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2dnx h SER 59 Cb 0.56 0.69 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2dnx h SER 59 CO -0.46 -0.30 0.01 0.74 -0.53 0.00 0.00 176.83 176.29 2dnx h THR 60 N -0.11 1.12 -0.85 2.23 2.02 -0.97 -0.76 112.91 115.58 2dnx h THR 60 Ca 0.25 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.18 2dnx h THR 60 Cb 0.56 1.33 -0.12 0.00 -1.74 0.00 0.00 68.15 68.17 2dnx h THR 60 CO -0.81 0.10 -0.50 0.78 0.37 0.00 0.00 175.52 175.46 2dnx h ASN 61 N -0.12 -1.80 0.62 4.18 2.35 0.28 0.23 115.58 121.33 2dnx h ASN 61 Ca 0.01 0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 2dnx h ASN 61 Cb 0.15 0.83 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2dnx h ASN 61 CO -0.00 -0.29 -0.31 1.56 -1.65 0.00 0.00 177.43 176.74 2dnx h GLN 62 N -0.09 -0.82 -0.91 0.81 1.08 -0.73 -1.60 115.11 112.84 2dnx h GLN 62 Ca 0.21 0.06 0.26 0.00 -1.45 0.00 0.00 58.65 57.72 2dnx h GLN 62 Cb 0.51 0.19 -0.17 0.00 -0.05 0.00 0.00 27.48 27.96 2dnx h GLN 62 CO -0.86 -0.55 0.06 1.28 -0.95 0.00 0.00 178.83 177.80 2dnx n LEU 63 N -5.46 -0.07 0.06 1.46 4.77 -0.20 0.18 117.00 117.73 2dnx n LEU 63 Ca -0.13 1.54 -0.13 0.00 -0.03 0.00 0.00 56.01 57.26 2dnx n LEU 63 Cb 0.35 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 2dnx n LEU 63 CO 0.37 -1.58 0.75 0.00 -1.33 0.00 0.00 177.39 175.61 2dnx h ALA 64 N 1.82 -0.11 -0.92 -1.18 0.00 -0.19 0.14 119.26 118.82 2dnx h ALA 64 Ca 0.57 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.64 2dnx h ALA 64 Cb 1.21 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2dnx h ALA 64 CO -0.84 -0.47 0.69 0.87 0.00 0.00 0.00 179.25 179.50 2dnx h LYS 65 N -0.29 0.00 0.00 0.00 1.57 0.29 0.92 116.57 119.06 2dnx h LYS 65 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dnx h LYS 65 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2dnx h LYS 65 CO 0.02 0.00 -0.01 0.93 -0.57 0.00 0.00 179.45 179.81 2dnx h GLU 66 N 0.00 0.00 -0.98 3.15 5.08 0.16 -3.00 114.58 118.99 2dnx h GLU 66 Ca 0.43 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 59.05 2dnx h GLU 66 Cb 1.80 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.92 2dnx h GLU 66 CO -0.00 0.61 0.55 1.15 -1.00 0.00 0.00 179.01 180.31 2dnx h THR 67 N -1.00 0.49 -0.40 1.13 2.02 0.97 0.67 112.91 116.79 2dnx h THR 67 Ca -0.00 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2dnx h THR 67 Cb 0.62 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2dnx h THR 67 CO -0.00 0.09 0.10 -1.13 0.37 0.00 0.00 175.52 174.96 2dnx h ASN 68 N 0.51 0.60 -0.70 4.18 -1.24 -1.01 0.84 115.58 118.77 2dnx h ASN 68 Ca 0.64 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 57.36 2dnx h ASN 68 Cb 1.25 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.11 2dnx h ASN 68 CO -0.51 0.67 0.20 -0.33 -1.29 0.00 0.00 177.43 176.18 2dnx h GLU 69 N 0.51 1.11 -0.01 6.67 4.39 0.08 -1.83 114.58 125.50 2dnx h GLU 69 Ca 0.13 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2dnx h GLU 69 Cb 0.30 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2dnx h GLU 69 CO 0.00 0.96 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.73 2dnx h LEU 70 N 1.06 0.02 -2.05 1.33 3.38 0.37 -0.84 115.31 118.58 2dnx h LEU 70 Ca 0.23 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2dnx h LEU 70 Cb 0.33 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dnx h LEU 70 CO -0.00 0.55 0.32 -0.07 0.09 0.00 0.00 178.44 179.33 2dnx h LEU 71 N -0.51 0.00 0.05 1.67 3.38 0.85 1.73 115.31 122.48 2dnx h LEU 71 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2dnx h LEU 71 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2dnx h LEU 71 CO 0.00 0.00 -1.81 0.29 0.09 0.00 0.00 178.44 177.02 2dnx n LYS 72 N -2.97 0.68 0.06 1.13 5.02 -0.70 -3.73 118.16 117.66 2dnx n LYS 72 Ca -0.01 0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.49 2dnx n LYS 72 Cb 0.38 -1.77 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 2dnx n LYS 72 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2dnx h GLU 73 N 0.03 0.03 0.17 1.97 4.11 0.19 -3.01 114.58 118.07 2dnx h GLU 73 Ca -0.33 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 2dnx h GLU 73 Cb 2.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2dnx h GLU 73 CO 0.09 1.02 -0.09 1.25 0.07 0.00 0.00 179.01 181.34 2dnx h LEU 74 N 0.01 -0.22 -1.99 3.06 6.46 0.21 -2.33 115.31 120.50 2dnx h LEU 74 Ca -0.02 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 57.90 2dnx h LEU 74 Cb 1.78 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.75 2dnx h LEU 74 CO 0.14 -0.15 0.46 1.23 -0.62 0.00 0.00 178.44 179.50 2dnx h GLY 75 N -0.24 0.00 0.82 3.75 0.00 -1.71 0.79 103.07 106.48 2dnx h GLY 75 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.34 2dnx h GLY 75 CO 0.03 0.00 0.34 0.23 0.00 0.00 0.00 176.54 177.14 2dnx h SER 76 N 0.00 0.53 -2.21 0.19 0.87 -1.30 -3.44 113.55 108.19 2dnx h SER 76 Ca 0.26 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.26 2dnx h SER 76 Cb 1.18 -0.10 0.22 0.00 -0.44 0.00 0.00 62.40 63.26 2dnx h SER 76 CO -0.00 0.36 -1.46 0.18 -0.53 0.00 0.00 176.83 175.38 2dnx n LEU 77 N -4.78 -4.41 -4.78 2.23 4.77 0.27 -4.93 117.00 105.37 2dnx n LEU 77 Ca 0.05 0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 56.09 2dnx n LEU 77 Cb 0.10 -0.86 0.16 0.00 -2.33 0.00 0.00 43.42 40.50 2dnx n LEU 77 CO 0.31 -5.29 0.73 -2.16 -1.33 0.00 0.00 177.39 169.65 2dnx s PRO 78 N -1.92 0.67 0.08 3.23 0.04 -1.26 -5.06 135.00 130.78 2dnx s PRO 78 Ca 0.48 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.66 2dnx s PRO 78 Cb -0.28 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2dnx s PRO 78 CO 0.75 -2.48 0.09 -0.51 0.04 0.00 0.00 177.00 174.89 2dnx s LEU 79 N -6.15 3.83 0.84 -3.56 1.43 -1.26 -5.11 118.68 108.70 2dnx s LEU 79 Ca 0.67 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 2dnx s LEU 79 Cb -0.12 -2.51 0.09 0.00 0.03 0.00 0.00 46.19 43.68 2dnx s LEU 79 CO 0.54 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 176.24 2dnx s PRO 80 N -2.41 1.76 0.31 1.29 0.04 -1.26 -4.96 135.00 129.76 2dnx s PRO 80 Ca 0.30 0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.92 2dnx s PRO 80 Cb -0.12 -1.89 0.50 0.00 0.04 0.00 0.00 34.50 33.02 2dnx s PRO 80 CO 0.22 -1.82 1.74 -0.07 0.04 0.00 0.00 177.00 177.11 2dnx h LEU 81 N -1.23 0.28 -9.74 -3.56 -0.00 -2.02 -3.43 115.31 95.62 2dnx h LEU 81 Ca -0.48 -0.11 -0.50 0.00 -0.00 0.00 0.00 57.88 56.79 2dnx h LEU 81 Cb 1.29 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 2dnx h LEU 81 CO 0.60 0.62 0.29 -0.44 -0.00 0.00 0.00 178.44 179.51 2dnx s SER 82 N -6.87 7.56 0.17 -0.43 0.01 -1.26 -4.94 113.70 107.94 2dnx s SER 82 Ca -0.05 1.84 0.26 0.00 1.31 0.00 0.00 55.95 59.31 2dnx s SER 82 Cb 0.14 -2.57 0.69 0.00 0.21 0.00 0.00 66.02 64.49 2dnx s SER 82 CO 0.77 0.17 1.65 0.41 0.41 0.00 0.00 173.24 176.65 2dnx n THR 83 N 1.56 0.50 -0.10 1.44 -1.04 -1.26 -3.12 114.28 112.25 2dnx n THR 83 Ca -0.03 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 2dnx n THR 83 Cb 0.48 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2dnx n THR 83 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2dnx h SER 84 N 0.00 0.94 1.09 8.00 0.87 -1.96 -2.98 113.55 119.52 2dnx h SER 84 Ca 0.00 -0.43 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 2dnx h SER 84 Cb 0.73 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2dnx h SER 84 CO 0.00 1.21 -0.78 -0.33 -0.53 0.00 0.00 176.83 176.39 2dnx h GLU 85 N 0.73 0.00 0.33 2.24 4.39 -1.95 -3.02 114.58 117.30 2dnx h GLU 85 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2dnx h GLU 85 Cb 0.96 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 2dnx h GLU 85 CO 0.09 0.78 -0.50 1.96 -1.16 0.00 0.00 179.01 180.19 2dnx h GLN 86 N 0.00 -0.84 -0.26 2.33 4.20 -1.46 0.40 115.11 119.47 2dnx h GLN 86 Ca -0.01 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2dnx h GLN 86 Cb 1.54 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 2dnx h GLN 86 CO 0.10 -0.56 0.15 0.07 -0.67 0.00 0.00 178.83 177.92 2dnx h ARG 87 N -0.87 0.36 -0.23 1.46 0.11 -1.65 -1.12 114.38 112.43 2dnx h ARG 87 Ca -0.04 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.07 2dnx h ARG 87 Cb 0.80 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.80 2dnx h ARG 87 CO -0.15 0.29 0.28 1.96 0.10 0.00 0.00 179.97 182.45 2dnx h GLN 88 N 0.32 0.00 0.19 0.08 1.08 -1.35 0.74 115.11 116.18 2dnx h GLN 88 Ca 0.09 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2dnx h GLN 88 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2dnx h GLN 88 CO -0.02 0.00 -0.09 1.96 -0.95 0.00 0.00 178.83 179.73 2dnx h GLN 89 N 0.00 -0.24 -0.60 1.46 4.20 0.10 -2.80 115.11 117.22 2dnx h GLN 89 Ca 0.11 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2dnx h GLN 89 Cb 0.67 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 2dnx h GLN 89 CO -0.00 -0.16 0.40 0.07 -0.67 0.00 0.00 178.83 178.47 2dnx h ARG 90 N -0.93 0.78 0.10 1.46 0.11 -0.84 -2.11 114.38 112.95 2dnx h ARG 90 Ca -0.03 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 60.02 2dnx h ARG 90 Cb 0.19 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 2dnx h ARG 90 CO 0.04 0.51 -0.21 -0.07 0.10 0.00 0.00 179.97 180.35 2dnx h LEU 91 N 0.80 -0.58 0.27 0.08 3.38 0.38 0.73 115.31 120.38 2dnx h LEU 91 Ca 0.22 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dnx h LEU 91 Cb -0.07 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2dnx h LEU 91 CO -0.05 -0.29 -0.40 1.56 0.09 0.00 0.00 178.44 179.35 2dnx h GLN 92 N -0.39 -0.70 0.14 1.13 1.08 -1.14 -0.37 115.11 114.86 2dnx h GLN 92 Ca 0.03 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2dnx h GLN 92 Cb 0.41 0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 2dnx h GLN 92 CO -0.12 -0.47 -0.44 -0.22 -0.95 0.00 0.00 178.83 176.63 2dnx h LYS 93 N -0.73 -0.66 -0.91 1.46 3.64 -1.16 0.24 116.57 118.44 2dnx h LYS 93 Ca -0.01 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 2dnx h LYS 93 Cb 0.69 0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 32.51 2dnx h LYS 93 CO -0.14 -0.44 -0.32 0.93 -2.27 0.00 0.00 179.45 177.21 2dnx h GLU 94 N -0.69 -0.02 -0.55 1.90 4.39 0.73 1.21 114.58 121.56 2dnx h GLU 94 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2dnx h GLU 94 Cb 0.70 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2dnx h GLU 94 CO -0.24 -0.02 0.32 0.00 -1.16 0.00 0.00 179.01 177.92 2dnx h ARG 95 N -0.03 0.75 -0.46 2.33 -0.00 -0.25 -0.32 114.38 116.41 2dnx h ARG 95 Ca 0.37 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.76 2dnx h ARG 95 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.41 2dnx h ARG 95 CO -0.93 0.56 0.24 -0.07 0.00 0.00 0.00 179.97 179.77 2dnx h LEU 96 N 0.74 0.56 -0.57 3.04 3.38 0.37 0.87 115.31 123.70 2dnx h LEU 96 Ca 0.20 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 96 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dnx h LEU 96 CO -0.04 0.46 -0.36 0.24 0.09 0.00 0.00 178.44 178.84 2dnx h MET 97 N 0.64 0.75 0.02 1.13 2.86 0.21 0.85 114.93 121.39 2dnx h MET 97 Ca 0.16 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2dnx h MET 97 Cb 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2dnx h MET 97 CO -0.03 0.99 -0.01 -0.91 1.06 0.00 0.00 176.91 178.01 2dnx h ASN 98 N 0.63 -0.03 -0.96 1.22 2.35 -0.14 -2.69 115.58 115.96 2dnx h ASN 98 Ca 0.06 -0.71 0.10 0.00 -0.55 0.00 0.00 56.30 55.21 2dnx h ASN 98 Cb 0.89 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 2dnx h ASN 98 CO 0.08 0.75 0.61 0.44 -1.65 0.00 0.00 177.43 177.67 2dnx h ASP 99 N -0.87 0.88 -0.41 5.81 5.19 0.69 0.76 116.42 128.48 2dnx h ASP 99 Ca -0.00 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 2dnx h ASP 99 Cb 0.74 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 2dnx h ASP 99 CO 0.01 0.50 0.10 0.15 -3.12 0.00 0.00 179.24 176.88 2dnx h PHE 100 N 0.97 0.76 0.57 4.55 3.57 -0.87 -2.45 116.94 124.04 2dnx h PHE 100 Ca 0.45 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2dnx h PHE 100 Cb 0.42 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2dnx h PHE 100 CO -0.00 0.65 -0.27 1.03 -2.23 0.00 0.00 178.31 177.49 2dnx h SER 101 N 0.71 -0.65 -0.99 0.41 0.87 -0.52 0.42 113.55 113.80 2dnx h SER 101 Ca 0.16 -0.02 0.24 0.00 -1.23 0.00 0.00 61.79 60.94 2dnx h SER 101 Cb 0.29 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 62.29 2dnx h SER 101 CO 0.00 -0.39 0.58 0.00 -0.53 0.00 0.00 176.83 176.49 2dnx h ALA 102 N -0.50 1.74 0.00 6.23 0.00 -1.25 1.52 119.26 127.00 2dnx h ALA 102 Ca -0.08 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2dnx h ALA 102 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dnx h ALA 102 CO 0.13 -0.25 -0.58 0.00 0.00 0.00 0.00 179.25 178.55 2dnx h ALA 103 N 1.72 0.91 0.25 0.00 0.00 -1.05 -2.62 119.26 118.46 2dnx h ALA 103 Ca 0.63 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dnx h ALA 103 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dnx h ALA 103 CO -0.47 0.73 -0.12 1.25 0.00 0.00 0.00 179.25 180.64 2dnx h LEU 104 N 0.00 -0.28 -0.95 0.00 5.85 0.64 -2.94 115.31 117.63 2dnx h LEU 104 Ca -0.01 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.02 2dnx h LEU 104 Cb 1.12 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.06 2dnx h LEU 104 CO 0.08 -0.03 0.31 -1.13 -0.34 0.00 0.00 178.44 177.33 2dnx h ASN 105 N -0.67 0.05 -0.32 1.25 -0.73 0.13 0.79 115.58 116.08 2dnx h ASN 105 Ca -0.03 0.23 0.07 0.00 1.87 0.00 0.00 56.30 58.43 2dnx h ASN 105 Cb 0.25 0.29 -0.08 0.00 0.27 0.00 0.00 38.32 39.06 2dnx h ASN 105 CO 0.06 -0.25 -0.20 0.78 -0.37 0.00 0.00 177.43 177.45 2dnx h ASN 106 N 0.15 -0.65 -0.24 1.15 2.35 -1.50 0.30 115.58 117.14 2dnx h ASN 106 Ca 0.65 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 56.57 2dnx h ASN 106 Cb 1.45 0.34 -0.03 0.00 0.05 0.00 0.00 38.32 40.13 2dnx h ASN 106 CO -0.73 -0.23 0.05 0.15 -1.65 0.00 0.00 177.43 175.02 2dnx h PHE 107 N -0.16 0.09 0.31 1.19 3.57 0.74 -0.71 116.94 121.97 2dnx h PHE 107 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2dnx h PHE 107 Cb 0.41 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2dnx h PHE 107 CO -0.40 0.03 -0.41 1.96 -2.23 0.00 0.00 178.31 177.26 2dnx h GLN 108 N 0.14 -0.75 -0.18 1.11 4.20 -0.13 1.66 115.11 121.17 2dnx h GLN 108 Ca 0.11 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.92 2dnx h GLN 108 Cb 0.10 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2dnx h GLN 108 CO -0.14 -0.50 0.32 0.00 -0.67 0.00 0.00 178.83 177.84 2dnx h ALA 109 N -0.38 1.69 0.07 3.87 0.00 -0.25 0.66 119.26 124.91 2dnx h ALA 109 Ca -0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2dnx h ALA 109 Cb 0.72 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2dnx h ALA 109 CO -0.12 -0.41 -1.67 0.28 0.00 0.00 0.00 179.25 177.32 2dnx h VAL 110 N 0.00 0.95 -0.09 0.00 2.07 0.80 -2.73 116.25 117.24 2dnx h VAL 110 Ca 0.09 -2.69 -0.14 0.00 0.82 0.00 0.00 66.70 64.78 2dnx h VAL 110 Cb 0.72 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2dnx h VAL 110 CO -0.00 0.73 -0.55 0.06 0.02 0.00 0.00 177.57 177.82 2dnx h GLN 111 N 0.04 0.28 0.00 1.57 3.07 0.76 -0.25 115.11 120.58 2dnx h GLN 111 Ca -0.29 -0.17 -0.18 0.00 0.09 0.00 0.00 58.65 58.10 2dnx h GLN 111 Cb 2.00 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 29.56 2dnx h GLN 111 CO 0.11 0.76 -0.86 0.07 0.09 0.00 0.00 178.83 179.00 2dnx h ARG 112 N 0.22 0.00 0.00 0.06 -0.00 -0.23 -2.50 114.38 111.93 2dnx h ARG 112 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2dnx h ARG 112 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.00 2dnx h ARG 112 CO 0.09 0.85 -0.24 0.00 -0.00 0.00 0.00 179.97 180.66 2dnx h ARG 113 N 0.00 0.00 0.14 0.08 3.08 -1.30 -2.78 114.38 113.61 2dnx h ARG 113 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 2dnx h ARG 113 Cb 1.66 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.72 2dnx h ARG 113 CO 0.11 0.14 -1.00 0.28 -1.07 0.00 0.00 179.97 178.43 2dnx h VAL 114 N 0.00 1.38 -0.41 2.04 2.07 -1.02 -3.06 116.25 117.26 2dnx h VAL 114 Ca -0.01 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 64.99 2dnx h VAL 114 Cb 1.12 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.95 2dnx h VAL 114 CO 0.02 0.72 0.24 0.28 0.02 0.00 0.00 177.57 178.85 2dnx h SER 115 N -0.32 0.50 -0.88 0.57 0.02 -1.51 -1.71 113.55 110.22 2dnx h SER 115 Ca -0.19 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2dnx h SER 115 Cb 1.71 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 64.07 2dnx h SER 115 CO 0.14 0.42 0.57 -0.08 -1.14 0.00 0.00 176.83 176.74 2dnx h GLU 116 N 0.53 0.94 -0.04 3.45 4.81 -1.61 0.26 114.58 122.93 2dnx h GLU 116 Ca 0.15 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2dnx h GLU 116 Cb 0.02 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2dnx h GLU 116 CO -0.03 0.63 0.02 0.87 -0.73 0.00 0.00 179.01 179.77 2dnx h LYS 117 N 0.97 0.06 0.00 1.92 1.79 -1.28 0.14 116.57 120.17 2dnx h LYS 117 Ca 0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2dnx h LYS 117 Cb 0.23 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2dnx h LYS 117 CO -0.14 0.15 0.00 0.93 -1.08 0.00 0.00 179.45 179.31 2dnx h GLU 118 N -0.05 0.00 0.14 3.15 4.39 -0.45 -1.90 114.58 119.85 2dnx h GLU 118 Ca 0.01 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.41 2dnx h GLU 118 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2dnx h GLU 118 CO -0.00 0.00 -1.48 0.87 -1.16 0.00 0.00 179.01 177.24 2dnx h LYS 119 N 0.00 0.29 -0.06 2.33 1.57 0.57 -3.24 116.57 118.02 2dnx h LYS 119 Ca 0.00 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 58.14 2dnx h LYS 119 Cb 0.35 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2dnx h LYS 119 CO 0.00 1.17 -0.62 1.49 -0.57 0.00 0.00 179.45 180.92 2dnx h GLU 120 N 0.08 0.22 0.36 3.15 4.81 -0.14 0.04 114.58 123.09 2dnx h GLU 120 Ca -0.23 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2dnx h GLU 120 Cb 2.02 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 2dnx h GLU 120 CO 0.18 0.77 -0.21 1.03 -0.73 0.00 0.00 179.01 180.05 2dnx h SER 121 N 0.16 -0.53 0.13 1.04 0.87 -1.45 -3.35 113.55 110.43 2dnx h SER 121 Ca -0.01 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2dnx h SER 121 Cb 1.13 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dnx h SER 121 CO 0.10 -0.33 -0.06 0.40 -0.53 0.00 0.00 176.83 176.40 2dnx h ILE 122 N -0.53 0.00 -1.12 2.23 5.03 -1.64 -3.49 117.51 117.99 2dnx h ILE 122 Ca -0.05 -0.07 0.11 0.00 -0.12 0.00 0.00 64.86 64.72 2dnx h ILE 122 Cb 0.42 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.18 2dnx h ILE 122 CO 0.06 0.00 -0.14 0.00 -0.68 0.00 0.00 178.15 177.38 2dnx n ALA 123 N -2.15 -1.01 -3.59 1.87 0.00 -0.00 -5.04 120.51 110.59 2dnx n ALA 123 Ca -0.02 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2dnx n ALA 123 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 2dnx n ALA 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dnx s ARG 124 N -1.02 0.41 -0.49 0.00 3.52 -1.26 -5.07 118.95 115.04 2dnx s ARG 124 Ca 0.00 -0.01 -0.44 0.00 -0.13 0.00 0.00 55.73 55.15 2dnx s ARG 124 Cb 0.00 0.19 -0.19 0.00 -1.56 0.00 0.00 34.95 33.39 2dnx s ARG 124 CO 0.00 -0.15 1.97 -1.13 -0.81 0.00 0.00 175.30 175.19 2dnx n SER 125 N 0.34 0.98 0.00 -2.12 3.41 -1.26 -4.55 113.62 110.42 2dnx n SER 125 Ca -0.05 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2dnx n SER 125 Cb 0.59 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnx n GLY 126 N 6.36 -0.43 3.77 5.00 0.00 -1.26 -5.15 105.19 113.48 2dnx n GLY 126 Ca 0.47 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.02 0.23 1.61 0.04 -1.26 -5.10 135.00 128.50 2dnx s PRO 127 Ca 0.00 -0.15 -0.10 0.00 0.04 0.00 0.00 61.00 60.79 2dnx s PRO 127 Cb 0.00 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2dnx s PRO 127 CO 0.00 -2.90 0.39 -1.12 0.04 0.00 0.00 177.00 173.41 2dnx s SER 128 N -4.34 -0.03 -0.30 6.66 0.01 -1.26 -4.86 113.70 109.57 2dnx s SER 128 Ca 0.71 -1.01 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 2dnx s SER 128 Cb -0.08 0.53 0.18 0.00 0.21 0.00 0.00 66.02 66.86 2dnx s SER 128 CO 0.54 -1.06 1.04 -0.55 0.41 0.00 0.00 173.24 173.62 2dnx s SER 129 N -3.04 -0.48 0.00 2.44 0.15 -1.26 -5.25 113.70 106.26 2dnx s SER 129 Ca 0.25 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2dnx s SER 129 Cb 0.01 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 2dnx s SER 129 CO 0.09 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.05